data_25776 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25776 _Entry.PDB_ID 2N6P 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 25776 _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 HIS C C 2 175.393 175.393 174.101 1.292 25776 2 1 1 . 1 1 2 2 HIS CA C 2 53.804 53.804 56.938 -3.134 25776 3 1 1 . 1 1 2 2 HIS CB C 2 30.780 30.780 32.928 -2.148 25776 4 1 1 . 1 1 3 3 LYS N N 3 121.908 121.908 119.489 2.419 25776 5 1 1 . 1 1 3 3 LYS C C 3 173.475 173.475 174.494 -1.019 25776 6 1 1 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.753 0.274 25776 7 1 1 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.531 -1.331 25776 8 1 1 . 1 1 3 3 LYS H H 3 8.608 8.608 8.015 0.593 25776 9 1 1 . 1 1 4 4 ALA N N 4 120.771 120.771 121.178 -0.407 25776 10 1 1 . 1 1 4 4 ALA C C 4 178.118 178.118 178.062 0.056 25776 11 1 1 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.381 1.058 25776 12 1 1 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.436 -0.387 25776 13 1 1 . 1 1 4 4 ALA H H 4 8.581 8.581 8.133 0.448 25776 14 1 1 . 1 1 5 5 GLY N N 5 112.807 112.807 111.346 1.461 25776 15 1 1 . 1 1 5 5 GLY C C 5 173.788 173.788 173.870 -0.082 25776 16 1 1 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.549 0.271 25776 17 1 1 . 1 1 5 5 GLY H H 5 9.170 9.170 8.650 0.520 25776 18 1 1 . 1 1 6 6 ASP N N 6 121.504 121.504 121.643 -0.139 25776 19 1 1 . 1 1 6 6 ASP C C 6 174.307 174.307 175.082 -0.775 25776 20 1 1 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.855 0.964 25776 21 1 1 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.966 -0.391 25776 22 1 1 . 1 1 6 6 ASP H H 6 7.619 7.619 7.588 0.031 25776 23 1 1 . 1 1 7 7 PHE N N 7 121.212 121.212 120.808 0.404 25776 24 1 1 . 1 1 7 7 PHE C C 7 174.030 174.030 175.407 -1.377 25776 25 1 1 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.482 -0.881 25776 26 1 1 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.938 3.139 25776 27 1 1 . 1 1 7 7 PHE H H 7 8.285 8.285 8.521 -0.236 25776 28 1 1 . 1 1 8 8 ILE N N 8 128.185 128.185 119.531 8.654 25776 29 1 1 . 1 1 8 8 ILE C C 8 173.961 173.961 174.641 -0.680 25776 30 1 1 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.867 1.856 25776 31 1 1 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.621 2.048 25776 32 1 1 . 1 1 8 8 ILE H H 8 9.245 9.245 9.444 -0.199 25776 33 1 1 . 1 1 9 9 ILE N N 9 125.624 125.624 125.138 0.486 25776 34 1 1 . 1 1 9 9 ILE C C 9 173.731 173.731 175.535 -1.804 25776 35 1 1 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.449 -0.159 25776 36 1 1 . 1 1 9 9 ILE CB C 9 42.091 42.091 40.080 2.011 25776 37 1 1 . 1 1 9 9 ILE H H 9 8.628 8.628 8.337 0.291 25776 38 1 1 . 1 1 10 10 ARG N N 10 125.025 125.025 126.403 -1.378 25776 39 1 1 . 1 1 10 10 ARG C C 10 175.074 175.074 175.400 -0.326 25776 40 1 1 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.794 -0.300 25776 41 1 1 . 1 1 10 10 ARG CB C 10 32.772 32.772 32.376 0.396 25776 42 1 1 . 1 1 10 10 ARG H H 10 9.225 9.225 8.866 0.359 25776 43 1 1 . 1 1 11 11 GLY N N 11 106.141 106.141 113.709 -7.568 25776 44 1 1 . 1 1 11 11 GLY C C 11 171.959 171.959 171.861 0.098 25776 45 1 1 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.727 -0.520 25776 46 1 1 . 1 1 11 11 GLY H H 11 8.885 8.885 9.029 -0.144 25776 47 1 1 . 1 1 12 12 GLY N N 12 107.818 107.818 105.811 2.007 25776 48 1 1 . 1 1 12 12 GLY C C 12 171.465 171.465 172.185 -0.720 25776 49 1 1 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.048 3.265 25776 50 1 1 . 1 1 12 12 GLY H H 12 8.433 8.433 7.874 0.559 25776 51 1 1 . 1 1 13 13 PHE N N 13 120.233 120.233 120.041 0.192 25776 52 1 1 . 1 1 13 13 PHE C C 13 174.056 174.056 174.864 -0.808 25776 53 1 1 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.549 -0.398 25776 54 1 1 . 1 1 13 13 PHE CB C 13 41.625 41.625 42.133 -0.508 25776 55 1 1 . 1 1 13 13 PHE H H 13 8.606 8.606 8.310 0.296 25776 56 1 1 . 1 1 18 18 PRO C C 18 176.552 176.552 176.049 0.503 25776 57 1 1 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.919 1.172 25776 58 1 1 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.411 1.238 25776 59 1 1 . 1 1 19 19 ASP N N 19 121.094 121.094 121.362 -0.268 25776 60 1 1 . 1 1 19 19 ASP C C 19 176.047 176.047 175.291 0.756 25776 61 1 1 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.175 1.099 25776 62 1 1 . 1 1 19 19 ASP CB C 19 42.043 42.043 42.108 -0.065 25776 63 1 1 . 1 1 19 19 ASP H H 19 8.372 8.372 8.392 -0.020 25776 64 1 1 . 1 1 20 20 ASP N N 20 123.179 123.179 120.170 3.009 25776 65 1 1 . 1 1 20 20 ASP C C 20 176.790 176.790 176.908 -0.118 25776 66 1 1 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.965 0.130 25776 67 1 1 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.158 0.675 25776 68 1 1 . 1 1 20 20 ASP H H 20 8.357 8.357 8.299 0.058 25776 69 1 1 . 1 1 21 21 SER N N 21 117.319 117.319 115.354 1.965 25776 70 1 1 . 1 1 21 21 SER C C 21 175.218 175.218 173.480 1.738 25776 71 1 1 . 1 1 21 21 SER CA C 21 60.134 60.134 57.997 2.137 25776 72 1 1 . 1 1 21 21 SER CB C 21 64.701 64.701 63.698 1.003 25776 73 1 1 . 1 1 21 21 SER H H 21 8.398 8.398 7.909 0.489 25776 74 1 1 . 1 1 22 22 SER N N 22 117.994 117.994 116.988 1.006 25776 75 1 1 . 1 1 22 22 SER C C 22 174.877 174.877 174.692 0.185 25776 76 1 1 . 1 1 22 22 SER CA C 22 59.839 59.839 58.452 1.387 25776 77 1 1 . 1 1 22 22 SER CB C 22 64.669 64.669 62.959 1.710 25776 78 1 1 . 1 1 22 22 SER H H 22 8.314 8.314 8.150 0.164 25776 79 1 1 . 1 1 23 23 SER N N 23 117.809 117.809 121.165 -3.356 25776 80 1 1 . 1 1 23 23 SER C C 23 174.298 174.298 174.650 -0.352 25776 81 1 1 . 1 1 23 23 SER CA C 23 59.629 59.629 57.830 1.799 25776 82 1 1 . 1 1 23 23 SER CB C 23 64.802 64.802 64.352 0.450 25776 83 1 1 . 1 1 23 23 SER H H 23 8.143 8.143 8.603 -0.460 25776 84 1 1 . 1 1 24 24 ASP N N 24 122.829 122.829 122.798 0.031 25776 85 1 1 . 1 1 24 24 ASP C C 24 176.250 176.250 175.244 1.006 25776 86 1 1 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.899 1.594 25776 87 1 1 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.573 -0.732 25776 88 1 1 . 1 1 24 24 ASP H H 24 8.234 8.234 8.447 -0.213 25776 89 1 1 . 1 1 25 25 ILE N N 25 120.717 120.717 122.522 -1.805 25776 90 1 1 . 1 1 25 25 ILE C C 25 176.204 176.204 175.283 0.921 25776 91 1 1 . 1 1 25 25 ILE CA C 25 62.556 62.556 60.894 1.662 25776 92 1 1 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.246 1.422 25776 93 1 1 . 1 1 25 25 ILE H H 25 7.884 7.884 8.260 -0.376 25776 94 1 1 . 1 1 26 26 LYS N N 26 124.527 124.527 122.537 1.990 25776 95 1 1 . 1 1 26 26 LYS C C 26 176.616 176.616 176.730 -0.114 25776 96 1 1 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.238 0.954 25776 97 1 1 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.225 0.584 25776 98 1 1 . 1 1 26 26 LYS H H 26 8.164 8.164 7.628 0.536 25776 99 1 1 . 1 1 27 27 LEU N N 27 123.292 123.292 124.849 -1.557 25776 100 1 1 . 1 1 27 27 LEU C C 27 177.077 177.077 176.390 0.687 25776 101 1 1 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.810 1.363 25776 102 1 1 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.523 0.794 25776 103 1 1 . 1 1 27 27 LEU H H 27 8.100 8.100 8.334 -0.234 25776 104 1 1 . 1 1 28 28 ASP N N 28 121.059 121.059 120.143 0.916 25776 105 1 1 . 1 1 28 28 ASP C C 28 176.929 176.929 175.980 0.949 25776 106 1 1 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.480 1.869 25776 107 1 1 . 1 1 28 28 ASP CB C 28 42.075 42.075 39.995 2.080 25776 108 1 1 . 1 1 28 28 ASP H H 28 8.209 8.209 8.128 0.081 25776 109 1 1 . 1 1 29 29 GLY N N 29 110.032 110.032 110.048 -0.016 25776 110 1 1 . 1 1 29 29 GLY C C 29 174.364 174.364 174.205 0.159 25776 111 1 1 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.312 1.566 25776 112 1 1 . 1 1 29 29 GLY H H 29 8.274 8.274 8.254 0.020 25776 113 1 1 . 1 1 30 30 ALA N N 30 124.102 124.102 122.850 1.252 25776 114 1 1 . 1 1 30 30 ALA C C 30 178.005 178.005 177.698 0.307 25776 115 1 1 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.601 2.223 25776 116 1 1 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.449 -0.322 25776 117 1 1 . 1 1 30 30 ALA H H 30 8.085 8.085 7.538 0.547 25776 118 1 1 . 1 1 31 31 LYS N N 31 119.810 119.810 118.860 0.950 25776 119 1 1 . 1 1 31 31 LYS C C 31 176.650 176.650 177.724 -1.074 25776 120 1 1 . 1 1 31 31 LYS CA C 31 57.472 57.472 57.953 -0.481 25776 121 1 1 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.946 1.002 25776 122 1 1 . 1 1 31 31 LYS H H 31 8.075 8.075 8.414 -0.339 25776 123 1 1 . 1 1 32 32 GLN N N 32 121.045 121.045 116.243 4.802 25776 124 1 1 . 1 1 32 32 GLN C C 32 175.862 175.862 174.817 1.045 25776 125 1 1 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.725 1.214 25776 126 1 1 . 1 1 32 32 GLN CB C 32 30.194 30.194 30.148 0.047 25776 127 1 1 . 1 1 32 32 GLN H H 32 8.182 8.182 7.876 0.306 25776 128 1 1 . 1 1 33 33 ARG N N 33 122.683 122.683 120.951 1.732 25776 129 1 1 . 1 1 33 33 ARG C C 33 176.492 176.492 174.245 2.247 25776 130 1 1 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.547 0.535 25776 131 1 1 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.088 1.864 25776 132 1 1 . 1 1 33 33 ARG H H 33 8.288 8.288 8.380 -0.092 25776 133 1 1 . 1 1 36 36 LYS C C 36 176.028 176.028 175.327 0.701 25776 134 1 1 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.411 0.812 25776 135 1 1 . 1 1 36 36 LYS CB C 36 34.262 34.262 33.667 0.595 25776 136 1 1 . 1 1 37 37 ALA N N 37 125.793 125.793 127.868 -2.075 25776 137 1 1 . 1 1 37 37 ALA C C 37 177.567 177.567 177.087 0.480 25776 138 1 1 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.569 1.000 25776 139 1 1 . 1 1 37 37 ALA CB C 37 20.408 20.408 18.956 1.452 25776 140 1 1 . 1 1 37 37 ALA H H 37 8.329 8.329 8.446 -0.117 25776 141 1 1 . 1 1 38 38 THR N N 38 113.398 113.398 115.930 -2.532 25776 142 1 1 . 1 1 38 38 THR C C 38 174.556 174.556 174.180 0.376 25776 143 1 1 . 1 1 38 38 THR CA C 38 62.551 62.551 62.191 0.360 25776 144 1 1 . 1 1 38 38 THR CB C 38 71.054 71.054 69.134 1.920 25776 145 1 1 . 1 1 38 38 THR H H 38 8.007 8.007 8.342 -0.335 25776 146 1 1 . 1 1 39 39 VAL N N 39 120.865 120.865 122.155 -1.290 25776 147 1 1 . 1 1 39 39 VAL C C 39 175.523 175.523 175.776 -0.253 25776 148 1 1 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.829 0.271 25776 149 1 1 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.419 1.625 25776 150 1 1 . 1 1 39 39 VAL H H 39 8.043 8.043 7.872 0.171 25776 151 1 1 . 1 1 40 40 ASP N N 40 124.053 124.053 121.936 2.117 25776 152 1 1 . 1 1 40 40 ASP C C 40 176.132 176.132 175.345 0.787 25776 153 1 1 . 1 1 40 40 ASP CA C 40 55.281 55.281 53.705 1.576 25776 154 1 1 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.673 1.546 25776 155 1 1 . 1 1 40 40 ASP H H 40 8.333 8.333 8.271 0.062 25776 156 1 1 . 1 1 41 41 SER N N 41 115.655 115.655 118.096 -2.441 25776 157 1 1 . 1 1 41 41 SER C C 41 174.147 174.147 174.514 -0.367 25776 158 1 1 . 1 1 41 41 SER CA C 41 59.367 59.367 58.099 1.268 25776 159 1 1 . 1 1 41 41 SER CB C 41 65.027 65.027 64.074 0.953 25776 160 1 1 . 1 1 41 41 SER H H 41 8.142 8.142 8.503 -0.361 25776 161 1 1 . 1 1 42 42 ASP N N 42 123.005 123.005 126.823 -3.818 25776 162 1 1 . 1 1 42 42 ASP C C 42 176.578 176.578 176.280 0.298 25776 163 1 1 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.085 1.354 25776 164 1 1 . 1 1 42 42 ASP CB C 42 42.404 42.404 39.767 2.637 25776 165 1 1 . 1 1 42 42 ASP H H 42 8.433 8.433 8.861 -0.428 25776 166 1 1 . 1 1 43 43 THR C C 43 176.244 176.244 175.294 0.950 25776 167 1 1 . 1 1 43 43 THR CA C 43 62.772 62.772 62.863 -0.091 25776 168 1 1 . 1 1 43 43 THR CB C 43 71.018 71.018 69.982 1.036 25776 169 1 1 . 1 1 44 44 GLN N N 44 123.824 123.824 121.365 2.459 25776 170 1 1 . 1 1 44 44 GLN C C 44 177.061 177.061 175.435 1.626 25776 171 1 1 . 1 1 44 44 GLN CA C 44 57.279 57.279 56.916 0.363 25776 172 1 1 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.359 4.303 25776 173 1 1 . 1 1 44 44 GLN H H 44 8.270 8.270 8.298 -0.028 25776 174 1 1 . 1 1 45 45 LEU N N 45 122.159 122.159 120.615 1.544 25776 175 1 1 . 1 1 45 45 LEU C C 45 176.419 176.419 176.427 -0.008 25776 176 1 1 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.054 2.064 25776 177 1 1 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.727 -0.106 25776 178 1 1 . 1 1 45 45 LEU H H 45 7.940 7.940 8.144 -0.204 25776 179 1 1 . 1 1 46 46 GLY N N 46 107.861 107.861 106.438 1.423 25776 180 1 1 . 1 1 46 46 GLY C C 46 171.538 171.538 171.220 0.318 25776 181 1 1 . 1 1 46 46 GLY CA C 46 44.775 44.775 45.743 -0.968 25776 182 1 1 . 1 1 46 46 GLY H H 46 8.566 8.566 7.489 1.077 25776 183 1 1 . 1 1 47 47 LEU N N 47 122.959 122.959 120.136 2.823 25776 184 1 1 . 1 1 47 47 LEU C C 47 175.422 175.422 174.378 1.044 25776 185 1 1 . 1 1 47 47 LEU CA C 47 54.331 54.331 55.019 -0.688 25776 186 1 1 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.676 1.667 25776 187 1 1 . 1 1 47 47 LEU H H 47 8.457 8.457 7.867 0.590 25776 188 1 1 . 1 1 48 48 THR N N 48 112.144 112.144 113.237 -1.093 25776 189 1 1 . 1 1 48 48 THR C C 48 172.347 172.347 173.299 -0.952 25776 190 1 1 . 1 1 48 48 THR CA C 48 59.573 59.573 59.500 0.073 25776 191 1 1 . 1 1 48 48 THR CB C 48 72.843 72.843 71.634 1.209 25776 192 1 1 . 1 1 48 48 THR H H 48 8.814 8.814 8.125 0.689 25776 193 1 1 . 1 1 49 49 PHE N N 49 118.787 118.787 121.035 -2.248 25776 194 1 1 . 1 1 49 49 PHE C C 49 174.623 174.623 175.246 -0.623 25776 195 1 1 . 1 1 49 49 PHE CA C 49 55.737 55.737 55.959 -0.222 25776 196 1 1 . 1 1 49 49 PHE CB C 49 42.986 42.986 39.161 3.825 25776 197 1 1 . 1 1 49 49 PHE H H 49 8.455 8.455 8.034 0.421 25776 198 1 1 . 1 1 50 50 THR N N 50 121.279 121.279 120.556 0.723 25776 199 1 1 . 1 1 50 50 THR C C 50 173.272 173.272 173.441 -0.169 25776 200 1 1 . 1 1 50 50 THR CA C 50 63.315 63.315 61.034 2.281 25776 201 1 1 . 1 1 50 50 THR CB C 50 74.327 74.327 70.795 3.532 25776 202 1 1 . 1 1 50 50 THR H H 50 9.372 9.372 9.205 0.167 25776 203 1 1 . 1 1 51 51 TYR N N 51 126.005 126.005 123.081 2.924 25776 204 1 1 . 1 1 51 51 TYR C C 51 174.837 174.837 175.895 -1.058 25776 205 1 1 . 1 1 51 51 TYR CA C 51 56.860 56.860 55.519 1.341 25776 206 1 1 . 1 1 51 51 TYR CB C 51 42.447 42.447 38.738 3.709 25776 207 1 1 . 1 1 51 51 TYR H H 51 9.157 9.157 8.031 1.126 25776 208 1 1 . 1 1 52 52 MET N N 52 127.601 127.601 122.772 4.829 25776 209 1 1 . 1 1 52 52 MET C C 52 174.466 174.466 175.253 -0.787 25776 210 1 1 . 1 1 52 52 MET CA C 52 53.171 53.171 56.998 -3.827 25776 211 1 1 . 1 1 52 52 MET CB C 52 29.467 29.467 32.460 -2.993 25776 212 1 1 . 1 1 52 52 MET H H 52 7.998 7.998 8.328 -0.330 25776 213 1 1 . 1 1 53 53 PHE N N 53 123.918 123.918 124.648 -0.730 25776 214 1 1 . 1 1 53 53 PHE C C 53 173.685 173.685 174.596 -0.911 25776 215 1 1 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.052 1.562 25776 216 1 1 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.062 -2.951 25776 217 1 1 . 1 1 53 53 PHE H H 53 7.762 7.762 9.144 -1.382 25776 218 1 1 . 1 1 54 54 ALA N N 54 125.892 125.892 124.642 1.250 25776 219 1 1 . 1 1 54 54 ALA C C 54 174.976 174.976 177.587 -2.611 25776 220 1 1 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.174 -1.731 25776 221 1 1 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.790 4.745 25776 222 1 1 . 1 1 54 54 ALA H H 54 8.396 8.396 7.608 0.788 25776 223 1 1 . 1 1 55 55 ASP N N 55 118.951 118.951 119.125 -0.174 25776 224 1 1 . 1 1 55 55 ASP C C 55 174.777 174.777 175.682 -0.905 25776 225 1 1 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.102 2.037 25776 226 1 1 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.477 0.471 25776 227 1 1 . 1 1 55 55 ASP H H 55 8.632 8.632 8.821 -0.189 25776 228 1 1 . 1 1 56 56 LYS N N 56 106.363 106.363 113.269 -6.906 25776 229 1 1 . 1 1 56 56 LYS C C 56 174.930 174.930 174.970 -0.040 25776 230 1 1 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.416 -0.546 25776 231 1 1 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.385 4.052 25776 232 1 1 . 1 1 56 56 LYS H H 56 7.300 7.300 8.316 -1.016 25776 233 1 1 . 1 1 57 57 TRP N N 57 115.784 115.784 122.667 -6.883 25776 234 1 1 . 1 1 57 57 TRP C C 57 173.960 173.960 176.271 -2.311 25776 235 1 1 . 1 1 57 57 TRP CA C 57 55.957 55.957 55.553 0.404 25776 236 1 1 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.579 2.597 25776 237 1 1 . 1 1 57 57 TRP H H 57 6.612 6.612 7.978 -1.366 25776 238 1 1 . 1 1 58 58 GLY N N 58 107.657 107.657 105.693 1.964 25776 239 1 1 . 1 1 58 58 GLY C C 58 172.720 172.720 172.128 0.592 25776 240 1 1 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.605 0.179 25776 241 1 1 . 1 1 58 58 GLY H H 58 9.271 9.271 8.271 1.000 25776 242 1 1 . 1 1 59 59 VAL N N 59 118.434 118.434 125.006 -6.572 25776 243 1 1 . 1 1 59 59 VAL C C 59 172.973 172.973 174.489 -1.516 25776 244 1 1 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.628 -0.990 25776 245 1 1 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.270 3.766 25776 246 1 1 . 1 1 59 59 VAL H H 59 9.080 9.080 8.102 0.978 25776 247 1 1 . 1 1 60 60 GLU N N 60 127.915 127.915 129.211 -1.296 25776 248 1 1 . 1 1 60 60 GLU C C 60 174.464 174.464 174.198 0.266 25776 249 1 1 . 1 1 60 60 GLU CA C 60 53.751 53.751 53.604 0.147 25776 250 1 1 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.630 2.412 25776 251 1 1 . 1 1 60 60 GLU H H 60 9.431 9.431 8.434 0.997 25776 252 1 1 . 1 1 61 61 LEU N N 61 127.764 127.764 127.086 0.678 25776 253 1 1 . 1 1 61 61 LEU C C 61 174.746 174.746 174.590 0.156 25776 254 1 1 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.361 0.630 25776 255 1 1 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.640 1.240 25776 256 1 1 . 1 1 61 61 LEU H H 61 8.730 8.730 7.955 0.775 25776 257 1 1 . 1 1 62 62 VAL N N 62 126.465 126.465 125.537 0.928 25776 258 1 1 . 1 1 62 62 VAL C C 62 174.453 174.453 174.431 0.022 25776 259 1 1 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.742 0.543 25776 260 1 1 . 1 1 62 62 VAL CB C 62 35.086 35.086 31.965 3.121 25776 261 1 1 . 1 1 62 62 VAL H H 62 9.068 9.068 9.050 0.018 25776 262 1 1 . 1 1 63 63 ALA N N 63 130.444 130.444 129.025 1.419 25776 263 1 1 . 1 1 63 63 ALA C C 63 174.030 174.030 174.912 -0.882 25776 264 1 1 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.150 -0.900 25776 265 1 1 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.809 1.694 25776 266 1 1 . 1 1 63 63 ALA H H 63 9.124 9.124 7.893 1.231 25776 267 1 1 . 1 1 64 64 ALA N N 64 121.285 121.285 124.497 -3.212 25776 268 1 1 . 1 1 64 64 ALA C C 64 176.843 176.843 175.038 1.805 25776 269 1 1 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.958 0.212 25776 270 1 1 . 1 1 64 64 ALA CB C 64 23.172 23.172 21.906 1.266 25776 271 1 1 . 1 1 64 64 ALA H H 64 7.995 7.995 8.380 -0.385 25776 272 1 1 . 1 1 65 65 THR N N 65 109.734 109.734 114.451 -4.717 25776 273 1 1 . 1 1 65 65 THR C C 65 176.739 176.739 173.411 3.328 25776 274 1 1 . 1 1 65 65 THR CA C 65 61.660 61.660 59.346 2.314 25776 275 1 1 . 1 1 65 65 THR CB C 65 68.341 68.341 69.793 -1.452 25776 276 1 1 . 1 1 65 65 THR H H 65 8.108 8.108 8.128 -0.020 25776 277 1 1 . 1 1 67 67 PHE N N 67 123.676 123.676 115.098 8.578 25776 278 1 1 . 1 1 67 67 PHE CA C 67 56.849 56.849 56.361 0.488 25776 279 1 1 . 1 1 67 67 PHE H H 67 8.382 8.382 6.995 1.387 25776 280 1 1 . 1 1 74 74 LYS C C 74 177.704 177.704 176.288 1.416 25776 281 1 1 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.575 0.453 25776 282 1 1 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.256 1.806 25776 283 1 1 . 1 1 75 75 GLY N N 75 108.841 108.841 108.616 0.225 25776 284 1 1 . 1 1 75 75 GLY C C 75 174.405 174.405 173.498 0.907 25776 285 1 1 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.934 1.778 25776 286 1 1 . 1 1 75 75 GLY H H 75 8.069 8.069 7.957 0.112 25776 287 1 1 . 1 1 76 76 LEU N N 76 120.093 120.093 120.142 -0.049 25776 288 1 1 . 1 1 76 76 LEU C C 76 176.997 176.997 178.236 -1.239 25776 289 1 1 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.026 1.154 25776 290 1 1 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.210 3.787 25776 291 1 1 . 1 1 76 76 LEU H H 76 7.623 7.623 8.279 -0.656 25776 292 1 1 . 1 1 79 79 GLY C C 79 175.675 175.675 173.329 2.346 25776 293 1 1 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.597 2.502 25776 294 1 1 . 1 1 80 80 LEU N N 80 130.062 130.062 120.817 9.245 25776 295 1 1 . 1 1 80 80 LEU C C 80 176.062 176.062 175.654 0.408 25776 296 1 1 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.133 1.271 25776 297 1 1 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.433 -0.427 25776 298 1 1 . 1 1 80 80 LEU H H 80 9.441 9.441 7.964 1.477 25776 299 1 1 . 1 1 81 81 ASP N N 81 124.816 124.816 119.755 5.061 25776 300 1 1 . 1 1 81 81 ASP C C 81 178.992 178.992 176.145 2.847 25776 301 1 1 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.459 2.311 25776 302 1 1 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.409 -0.462 25776 303 1 1 . 1 1 81 81 ASP H H 81 7.854 7.854 8.389 -0.535 25776 304 1 1 . 1 1 91 91 PRO C C 91 175.297 175.297 175.455 -0.158 25776 305 1 1 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.621 -0.788 25776 306 1 1 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.542 0.989 25776 307 1 1 . 1 1 92 92 ALA N N 92 123.521 123.521 122.431 1.090 25776 308 1 1 . 1 1 92 92 ALA C C 92 175.643 175.643 175.933 -0.290 25776 309 1 1 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.028 1.647 25776 310 1 1 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.589 0.136 25776 311 1 1 . 1 1 92 92 ALA H H 92 8.829 8.829 8.089 0.740 25776 312 1 1 . 1 1 93 93 THR N N 93 117.599 117.599 119.194 -1.595 25776 313 1 1 . 1 1 93 93 THR C C 93 171.440 171.440 173.614 -2.174 25776 314 1 1 . 1 1 93 93 THR CA C 93 62.066 62.066 61.922 0.144 25776 315 1 1 . 1 1 93 93 THR CB C 93 72.352 72.352 70.976 1.376 25776 316 1 1 . 1 1 93 93 THR H H 93 8.237 8.237 8.158 0.079 25776 317 1 1 . 1 1 94 94 LEU N N 94 129.530 129.530 128.499 1.031 25776 318 1 1 . 1 1 94 94 LEU C C 94 174.995 174.995 174.943 0.052 25776 319 1 1 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.091 0.103 25776 320 1 1 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.230 2.935 25776 321 1 1 . 1 1 94 94 LEU H H 94 8.732 8.732 8.364 0.368 25776 322 1 1 . 1 1 95 95 LEU N N 95 124.181 124.181 122.944 1.237 25776 323 1 1 . 1 1 95 95 LEU C C 95 175.270 175.270 175.166 0.104 25776 324 1 1 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.407 1.126 25776 325 1 1 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.354 1.318 25776 326 1 1 . 1 1 95 95 LEU H H 95 9.485 9.485 8.788 0.697 25776 327 1 1 . 1 1 96 96 LEU N N 96 123.444 123.444 122.844 0.600 25776 328 1 1 . 1 1 96 96 LEU C C 96 174.997 174.997 175.894 -0.897 25776 329 1 1 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.807 1.506 25776 330 1 1 . 1 1 96 96 LEU CB C 96 45.148 45.148 42.950 2.198 25776 331 1 1 . 1 1 96 96 LEU H H 96 8.836 8.836 8.667 0.169 25776 332 1 1 . 1 1 97 97 GLN N N 97 121.545 121.545 121.555 -0.010 25776 333 1 1 . 1 1 97 97 GLN C C 97 174.324 174.324 174.243 0.081 25776 334 1 1 . 1 1 97 97 GLN CA C 97 55.388 55.388 53.630 1.758 25776 335 1 1 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.928 5.596 25776 336 1 1 . 1 1 97 97 GLN H H 97 9.566 9.566 8.880 0.686 25776 337 1 1 . 1 1 98 98 TYR N N 98 122.246 122.246 120.951 1.295 25776 338 1 1 . 1 1 98 98 TYR C C 98 173.409 173.409 175.578 -2.169 25776 339 1 1 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.102 -0.447 25776 340 1 1 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.671 1.537 25776 341 1 1 . 1 1 98 98 TYR H H 98 9.053 9.053 8.903 0.150 25776 342 1 1 . 1 1 99 99 TYR N N 99 126.872 126.872 123.482 3.390 25776 343 1 1 . 1 1 99 99 TYR C C 99 175.310 175.310 174.384 0.926 25776 344 1 1 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.602 -0.846 25776 345 1 1 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.700 1.935 25776 346 1 1 . 1 1 99 99 TYR H H 99 8.344 8.344 9.349 -1.005 25776 347 1 1 . 1 1 100 100 PRO C C 100 178.304 178.304 177.916 0.388 25776 348 1 1 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.549 0.861 25776 349 1 1 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.288 0.819 25776 350 1 1 . 1 1 101 101 MET N N 101 114.703 114.703 118.415 -3.712 25776 351 1 1 . 1 1 101 101 MET C C 101 178.218 178.218 176.105 2.113 25776 352 1 1 . 1 1 101 101 MET CA C 101 54.147 54.147 55.655 -1.508 25776 353 1 1 . 1 1 101 101 MET CB C 101 30.956 30.956 32.933 -1.977 25776 354 1 1 . 1 1 101 101 MET H H 101 9.432 9.432 8.174 1.258 25776 355 1 1 . 1 1 102 102 GLY N N 102 117.671 117.671 107.515 10.156 25776 356 1 1 . 1 1 102 102 GLY C C 102 175.611 175.611 174.466 1.145 25776 357 1 1 . 1 1 102 102 GLY CA C 102 47.452 47.452 46.092 1.360 25776 358 1 1 . 1 1 102 102 GLY H H 102 8.671 8.671 8.205 0.466 25776 359 1 1 . 1 1 103 103 GLY N N 103 111.298 111.298 112.605 -1.307 25776 360 1 1 . 1 1 103 103 GLY C C 103 174.054 174.054 173.447 0.607 25776 361 1 1 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.706 2.115 25776 362 1 1 . 1 1 103 103 GLY H H 103 9.436 9.436 8.142 1.294 25776 363 1 1 . 1 1 104 104 THR N N 104 109.330 109.330 112.833 -3.503 25776 364 1 1 . 1 1 104 104 THR C C 104 174.248 174.248 173.735 0.513 25776 365 1 1 . 1 1 104 104 THR CA C 104 61.454 61.454 61.446 0.008 25776 366 1 1 . 1 1 104 104 THR CB C 104 72.711 72.711 69.580 3.131 25776 367 1 1 . 1 1 104 104 THR H H 104 7.321 7.321 7.620 -0.299 25776 368 1 1 . 1 1 105 105 ASN C C 105 175.032 175.032 174.594 0.438 25776 369 1 1 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.214 0.199 25776 370 1 1 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.730 0.113 25776 371 1 1 . 1 1 106 106 SER N N 106 113.116 113.116 116.531 -3.415 25776 372 1 1 . 1 1 106 106 SER C C 106 175.961 175.961 175.169 0.792 25776 373 1 1 . 1 1 106 106 SER CA C 106 59.289 59.289 58.474 0.815 25776 374 1 1 . 1 1 106 106 SER CB C 106 65.208 65.208 64.293 0.915 25776 375 1 1 . 1 1 106 106 SER H H 106 7.487 7.487 7.756 -0.269 25776 376 1 1 . 1 1 107 107 ALA N N 107 132.317 132.317 129.894 2.423 25776 377 1 1 . 1 1 107 107 ALA C C 107 176.554 176.554 177.650 -1.096 25776 378 1 1 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.319 1.679 25776 379 1 1 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.166 0.364 25776 380 1 1 . 1 1 107 107 ALA H H 107 8.891 8.891 8.564 0.327 25776 381 1 1 . 1 1 108 108 PHE N N 108 116.265 116.265 117.342 -1.077 25776 382 1 1 . 1 1 108 108 PHE C C 108 174.254 174.254 175.394 -1.140 25776 383 1 1 . 1 1 108 108 PHE CA C 108 56.664 56.664 57.519 -0.855 25776 384 1 1 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.488 0.747 25776 385 1 1 . 1 1 108 108 PHE H H 108 7.592 7.592 7.630 -0.038 25776 386 1 1 . 1 1 109 109 GLN N N 109 128.401 128.401 123.571 4.830 25776 387 1 1 . 1 1 109 109 GLN C C 109 172.298 172.298 173.741 -1.443 25776 388 1 1 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.736 0.201 25776 389 1 1 . 1 1 109 109 GLN CB C 109 29.980 29.980 28.930 1.050 25776 390 1 1 . 1 1 109 109 GLN H H 109 9.095 9.095 8.595 0.500 25776 391 1 1 . 1 1 110 110 PRO C C 110 175.005 175.005 175.014 -0.009 25776 392 1 1 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.143 0.081 25776 393 1 1 . 1 1 110 110 PRO CB C 110 34.129 34.129 31.968 2.161 25776 394 1 1 . 1 1 111 111 TYR N N 111 115.731 115.731 115.561 0.170 25776 395 1 1 . 1 1 111 111 TYR C C 111 173.783 173.783 173.190 0.593 25776 396 1 1 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.810 1.262 25776 397 1 1 . 1 1 111 111 TYR CB C 111 39.435 39.435 39.982 -0.547 25776 398 1 1 . 1 1 111 111 TYR H H 111 8.510 8.510 7.507 1.003 25776 399 1 1 . 1 1 112 112 GLY N N 112 103.737 103.737 107.432 -3.695 25776 400 1 1 . 1 1 112 112 GLY C C 112 172.014 172.014 172.383 -0.369 25776 401 1 1 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.147 0.497 25776 402 1 1 . 1 1 112 112 GLY H H 112 8.149 8.149 8.503 -0.354 25776 403 1 1 . 1 1 113 113 GLY N N 113 108.372 108.372 109.438 -1.066 25776 404 1 1 . 1 1 113 113 GLY C C 113 171.486 171.486 171.949 -0.463 25776 405 1 1 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.588 1.252 25776 406 1 1 . 1 1 113 113 GLY H H 113 9.028 9.028 8.849 0.179 25776 407 1 1 . 1 1 114 114 LEU N N 114 120.469 120.469 119.062 1.407 25776 408 1 1 . 1 1 114 114 LEU C C 114 175.878 175.878 174.531 1.347 25776 409 1 1 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.785 0.826 25776 410 1 1 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.676 2.300 25776 411 1 1 . 1 1 114 114 LEU H H 114 8.741 8.741 8.168 0.573 25776 412 1 1 . 1 1 115 115 GLY N N 115 111.145 111.145 105.680 5.465 25776 413 1 1 . 1 1 115 115 GLY C C 115 171.336 171.336 171.845 -0.509 25776 414 1 1 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.953 1.902 25776 415 1 1 . 1 1 115 115 GLY H H 115 8.952 8.952 8.615 0.337 25776 416 1 1 . 1 1 116 116 VAL N N 116 118.641 118.641 114.216 4.425 25776 417 1 1 . 1 1 116 116 VAL C C 116 172.617 172.617 173.544 -0.927 25776 418 1 1 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.985 0.731 25776 419 1 1 . 1 1 116 116 VAL CB C 116 37.372 37.372 36.143 1.229 25776 420 1 1 . 1 1 116 116 VAL H H 116 8.844 8.844 8.658 0.186 25776 421 1 1 . 1 1 117 117 ASN N N 117 123.839 123.839 118.775 5.064 25776 422 1 1 . 1 1 117 117 ASN C C 117 171.105 171.105 173.272 -2.167 25776 423 1 1 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.859 1.083 25776 424 1 1 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.294 2.284 25776 425 1 1 . 1 1 117 117 ASN H H 117 9.647 9.647 8.555 1.092 25776 426 1 1 . 1 1 118 118 TYR N N 118 125.160 125.160 122.723 2.437 25776 427 1 1 . 1 1 118 118 TYR C C 118 174.349 174.349 174.808 -0.459 25776 428 1 1 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.450 -0.893 25776 429 1 1 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.919 -0.355 25776 430 1 1 . 1 1 118 118 TYR H H 118 8.989 8.989 8.801 0.188 25776 431 1 1 . 1 1 119 119 THR N N 119 124.319 124.319 121.663 2.656 25776 432 1 1 . 1 1 119 119 THR C C 119 171.231 171.231 173.712 -2.481 25776 433 1 1 . 1 1 119 119 THR CA C 119 62.951 62.951 61.883 1.067 25776 434 1 1 . 1 1 119 119 THR CB C 119 72.427 72.427 70.225 2.202 25776 435 1 1 . 1 1 119 119 THR H H 119 8.806 8.806 8.970 -0.164 25776 436 1 1 . 1 1 120 120 THR N N 120 119.978 119.978 119.358 0.620 25776 437 1 1 . 1 1 120 120 THR C C 120 171.174 171.174 173.348 -2.174 25776 438 1 1 . 1 1 120 120 THR CA C 120 59.197 59.197 61.675 -2.478 25776 439 1 1 . 1 1 120 120 THR CB C 120 72.088 72.088 71.169 0.919 25776 440 1 1 . 1 1 120 120 THR H H 120 7.559 7.559 8.332 -0.773 25776 441 1 1 . 1 1 121 121 PHE C C 121 175.289 175.289 174.573 0.716 25776 442 1 1 . 1 1 121 121 PHE CB C 121 44.369 44.369 40.400 3.969 25776 443 1 1 . 1 1 122 122 PHE N N 122 117.578 117.578 122.056 -4.478 25776 444 1 1 . 1 1 122 122 PHE C C 122 172.555 172.555 173.853 -1.298 25776 445 1 1 . 1 1 122 122 PHE CA C 122 56.884 56.884 56.289 0.595 25776 446 1 1 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.557 -0.326 25776 447 1 1 . 1 1 122 122 PHE H H 122 8.541 8.541 6.602 1.939 25776 448 1 1 . 1 1 123 123 ASP N N 123 116.448 116.448 120.078 -3.630 25776 449 1 1 . 1 1 123 123 ASP C C 123 175.240 175.240 174.430 0.810 25776 450 1 1 . 1 1 123 123 ASP CA C 123 55.834 55.834 55.145 0.689 25776 451 1 1 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.168 -1.324 25776 452 1 1 . 1 1 123 123 ASP H H 123 8.940 8.940 8.659 0.281 25776 453 1 1 . 1 1 124 124 GLU C C 124 177.545 177.545 174.836 2.709 25776 454 1 1 . 1 1 124 124 GLU CA C 124 59.890 59.890 55.340 4.550 25776 455 1 1 . 1 1 124 124 GLU CB C 124 29.458 29.458 32.264 -2.805 25776 456 1 1 . 1 1 125 125 ASP N N 125 126.424 126.424 119.997 6.427 25776 457 1 1 . 1 1 125 125 ASP C C 125 176.191 176.191 176.160 0.031 25776 458 1 1 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.389 -0.377 25776 459 1 1 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.115 2.434 25776 460 1 1 . 1 1 125 125 ASP H H 125 9.100 9.100 8.504 0.596 25776 461 1 1 . 1 1 126 126 LEU N N 126 127.990 127.990 118.341 9.649 25776 462 1 1 . 1 1 126 126 LEU C C 126 175.808 175.808 176.027 -0.219 25776 463 1 1 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.423 0.845 25776 464 1 1 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.844 2.012 25776 465 1 1 . 1 1 126 126 LEU H H 126 8.570 8.570 7.521 1.049 25776 466 1 1 . 1 1 127 127 ALA N N 127 124.126 124.126 122.555 1.571 25776 467 1 1 . 1 1 127 127 ALA C C 127 179.833 179.833 176.519 3.314 25776 468 1 1 . 1 1 127 127 ALA CA C 127 52.721 52.721 53.044 -0.323 25776 469 1 1 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.464 0.595 25776 470 1 1 . 1 1 127 127 ALA H H 127 7.885 7.885 8.113 -0.228 25776 471 1 1 . 1 1 129 129 ASN C C 129 176.927 176.927 175.819 1.108 25776 472 1 1 . 1 1 129 129 ASN CB C 129 37.473 37.473 37.423 0.050 25776 473 1 1 . 1 1 130 130 ARG N N 130 117.748 117.748 120.904 -3.156 25776 474 1 1 . 1 1 130 130 ARG C C 130 179.430 179.430 177.336 2.094 25776 475 1 1 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.757 -1.914 25776 476 1 1 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.340 -0.014 25776 477 1 1 . 1 1 130 130 ARG H H 130 7.435 7.435 7.585 -0.150 25776 478 1 1 . 1 1 131 131 LYS N N 131 122.261 122.261 120.513 1.748 25776 479 1 1 . 1 1 131 131 LYS C C 131 180.937 180.937 179.029 1.908 25776 480 1 1 . 1 1 131 131 LYS CA C 131 60.461 60.461 60.000 0.461 25776 481 1 1 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.213 0.698 25776 482 1 1 . 1 1 131 131 LYS H H 131 7.945 7.945 8.064 -0.119 25776 483 1 1 . 1 1 132 132 ALA N N 132 122.083 122.083 120.032 2.051 25776 484 1 1 . 1 1 132 132 ALA C C 132 178.748 178.748 178.974 -0.226 25776 485 1 1 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.366 1.003 25776 486 1 1 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.988 1.141 25776 487 1 1 . 1 1 132 132 ALA H H 132 7.770 7.770 8.286 -0.516 25776 488 1 1 . 1 1 133 133 GLN N N 133 116.102 116.102 116.779 -0.677 25776 489 1 1 . 1 1 133 133 GLN C C 133 175.525 175.525 177.020 -1.495 25776 490 1 1 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.682 0.416 25776 491 1 1 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.542 0.813 25776 492 1 1 . 1 1 133 133 GLN H H 133 7.302 7.302 7.892 -0.590 25776 493 1 1 . 1 1 134 134 GLY N N 134 104.444 104.444 105.365 -0.921 25776 494 1 1 . 1 1 134 134 GLY C C 134 174.460 174.460 174.500 -0.040 25776 495 1 1 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.794 1.088 25776 496 1 1 . 1 1 134 134 GLY H H 134 7.596 7.596 7.907 -0.311 25776 497 1 1 . 1 1 135 135 PHE N N 135 119.775 119.775 121.370 -1.595 25776 498 1 1 . 1 1 135 135 PHE C C 135 174.922 174.922 175.161 -0.239 25776 499 1 1 . 1 1 135 135 PHE CA C 135 58.894 58.894 57.999 0.895 25776 500 1 1 . 1 1 135 135 PHE CB C 135 40.291 40.291 41.121 -0.830 25776 501 1 1 . 1 1 135 135 PHE H H 135 7.737 7.737 7.673 0.064 25776 502 1 1 . 1 1 136 136 SER N N 136 115.673 115.673 116.283 -0.610 25776 503 1 1 . 1 1 136 136 SER C C 136 174.415 174.415 173.882 0.533 25776 504 1 1 . 1 1 136 136 SER CA C 136 59.679 59.679 58.819 0.860 25776 505 1 1 . 1 1 136 136 SER CB C 136 66.246 66.246 64.296 1.950 25776 506 1 1 . 1 1 136 136 SER H H 136 8.862 8.862 8.665 0.197 25776 507 1 1 . 1 1 137 137 SER N N 137 114.341 114.341 114.190 0.151 25776 508 1 1 . 1 1 137 137 SER C C 137 172.164 172.164 172.900 -0.736 25776 509 1 1 . 1 1 137 137 SER CA C 137 58.955 58.955 57.794 1.161 25776 510 1 1 . 1 1 137 137 SER CB C 137 65.592 65.592 65.058 0.534 25776 511 1 1 . 1 1 137 137 SER H H 137 7.912 7.912 7.904 0.008 25776 512 1 1 . 1 1 138 138 MET N N 138 120.555 120.555 121.363 -0.808 25776 513 1 1 . 1 1 138 138 MET C C 138 173.189 173.189 175.115 -1.926 25776 514 1 1 . 1 1 138 138 MET CA C 138 55.879 55.879 55.736 0.143 25776 515 1 1 . 1 1 138 138 MET CB C 138 36.962 36.962 34.164 2.798 25776 516 1 1 . 1 1 138 138 MET H H 138 8.461 8.461 8.383 0.078 25776 517 1 1 . 1 1 141 141 GLN C C 141 176.182 176.182 174.737 1.445 25776 518 1 1 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.402 2.033 25776 519 1 1 . 1 1 142 142 ASP N N 142 124.414 124.414 120.762 3.652 25776 520 1 1 . 1 1 142 142 ASP C C 142 175.702 175.702 174.713 0.989 25776 521 1 1 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.267 2.040 25776 522 1 1 . 1 1 142 142 ASP CB C 142 41.738 41.738 42.049 -0.311 25776 523 1 1 . 1 1 142 142 ASP H H 142 8.728 8.728 8.745 -0.017 25776 524 1 1 . 1 1 143 143 SER N N 143 114.920 114.920 116.805 -1.885 25776 525 1 1 . 1 1 143 143 SER C C 143 172.289 172.289 173.318 -1.029 25776 526 1 1 . 1 1 143 143 SER CA C 143 57.652 57.652 57.821 -0.169 25776 527 1 1 . 1 1 143 143 SER CB C 143 66.215 66.215 63.873 2.342 25776 528 1 1 . 1 1 143 143 SER H H 143 8.703 8.703 8.114 0.589 25776 529 1 1 . 1 1 144 144 TRP N N 144 126.444 126.444 124.053 2.391 25776 530 1 1 . 1 1 144 144 TRP C C 144 177.307 177.307 175.774 1.533 25776 531 1 1 . 1 1 144 144 TRP CA C 144 56.875 56.875 54.501 2.374 25776 532 1 1 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.010 3.354 25776 533 1 1 . 1 1 144 144 TRP H H 144 8.101 8.101 7.509 0.592 25776 534 1 1 . 1 1 145 145 GLY N N 145 108.757 108.757 109.585 -0.828 25776 535 1 1 . 1 1 145 145 GLY C C 145 171.985 171.985 173.198 -1.213 25776 536 1 1 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.942 2.606 25776 537 1 1 . 1 1 145 145 GLY H H 145 8.889 8.889 8.231 0.658 25776 538 1 1 . 1 1 146 146 LEU N N 146 121.579 121.579 122.932 -1.353 25776 539 1 1 . 1 1 146 146 LEU C C 146 174.909 174.909 176.302 -1.393 25776 540 1 1 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.999 1.176 25776 541 1 1 . 1 1 146 146 LEU CB C 146 45.163 45.163 41.710 3.453 25776 542 1 1 . 1 1 146 146 LEU H H 146 9.035 9.035 7.876 1.159 25776 543 1 1 . 1 1 147 147 ALA N N 147 121.342 121.342 127.577 -6.235 25776 544 1 1 . 1 1 147 147 ALA C C 147 175.588 175.588 176.302 -0.714 25776 545 1 1 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.129 0.805 25776 546 1 1 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.766 2.339 25776 547 1 1 . 1 1 147 147 ALA H H 147 8.123 8.123 9.002 -0.879 25776 548 1 1 . 1 1 148 148 GLY N N 148 106.598 106.598 107.328 -0.730 25776 549 1 1 . 1 1 148 148 GLY C C 148 171.829 171.829 171.723 0.106 25776 550 1 1 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.537 0.211 25776 551 1 1 . 1 1 148 148 GLY H H 148 9.216 9.216 8.151 1.065 25776 552 1 1 . 1 1 149 149 GLU N N 149 122.775 122.775 121.861 0.914 25776 553 1 1 . 1 1 149 149 GLU C C 149 174.078 174.078 173.980 0.098 25776 554 1 1 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.196 0.606 25776 555 1 1 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.619 4.796 25776 556 1 1 . 1 1 149 149 GLU H H 149 8.493 8.493 8.085 0.408 25776 557 1 1 . 1 1 150 150 LEU N N 150 126.310 126.310 126.465 -0.155 25776 558 1 1 . 1 1 150 150 LEU C C 150 174.309 174.309 174.710 -0.401 25776 559 1 1 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.341 0.601 25776 560 1 1 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.453 3.038 25776 561 1 1 . 1 1 150 150 LEU H H 150 8.580 8.580 7.916 0.664 25776 562 1 1 . 1 1 151 151 GLY N N 151 109.909 109.909 111.771 -1.862 25776 563 1 1 . 1 1 151 151 GLY C C 151 170.538 170.538 171.785 -1.247 25776 564 1 1 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.731 0.889 25776 565 1 1 . 1 1 151 151 GLY H H 151 8.115 8.115 8.296 -0.181 25776 566 1 1 . 1 1 152 152 PHE N N 152 111.012 111.012 116.199 -5.187 25776 567 1 1 . 1 1 152 152 PHE C C 152 171.455 171.455 173.413 -1.958 25776 568 1 1 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.694 2.018 25776 569 1 1 . 1 1 152 152 PHE CB C 152 42.495 42.495 44.076 -1.581 25776 570 1 1 . 1 1 152 152 PHE H H 152 8.365 8.365 8.999 -0.634 25776 571 1 1 . 1 1 153 153 ASP N N 153 119.057 119.057 120.285 -1.228 25776 572 1 1 . 1 1 153 153 ASP C C 153 176.522 176.522 174.580 1.942 25776 573 1 1 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.757 -0.291 25776 574 1 1 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.381 1.716 25776 575 1 1 . 1 1 153 153 ASP H H 153 8.014 8.014 8.665 -0.651 25776 576 1 1 . 1 1 154 154 TYR N N 154 123.640 123.640 128.150 -4.510 25776 577 1 1 . 1 1 154 154 TYR C C 154 175.593 175.593 174.658 0.935 25776 578 1 1 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.779 1.109 25776 579 1 1 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.825 3.997 25776 580 1 1 . 1 1 154 154 TYR H H 154 9.744 9.744 8.376 1.368 25776 581 1 1 . 1 1 155 155 MET N N 155 126.409 126.409 121.382 5.027 25776 582 1 1 . 1 1 155 155 MET C C 155 174.938 174.938 174.859 0.079 25776 583 1 1 . 1 1 155 155 MET CA C 155 55.410 55.410 55.172 0.238 25776 584 1 1 . 1 1 155 155 MET CB C 155 29.170 29.170 33.882 -4.712 25776 585 1 1 . 1 1 155 155 MET H H 155 8.659 8.659 8.261 0.398 25776 586 1 1 . 1 1 156 156 LEU N N 156 125.396 125.396 122.566 2.830 25776 587 1 1 . 1 1 156 156 LEU C C 156 177.567 177.567 177.724 -0.157 25776 588 1 1 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.207 1.366 25776 589 1 1 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.199 0.713 25776 590 1 1 . 1 1 156 156 LEU H H 156 9.232 9.232 8.593 0.639 25776 591 1 1 . 1 1 157 157 ASN N N 157 114.903 114.903 115.735 -0.832 25776 592 1 1 . 1 1 157 157 ASN C C 157 173.568 173.568 175.744 -2.176 25776 593 1 1 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.519 -1.327 25776 594 1 1 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.999 -0.088 25776 595 1 1 . 1 1 157 157 ASN H H 157 8.099 8.099 8.063 0.036 25776 596 1 1 . 1 1 158 158 GLU N N 158 114.724 114.724 118.273 -3.549 25776 597 1 1 . 1 1 158 158 GLU C C 158 176.032 176.032 177.500 -1.468 25776 598 1 1 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.058 2.620 25776 599 1 1 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.382 0.133 25776 600 1 1 . 1 1 158 158 GLU H H 158 8.625 8.625 8.588 0.037 25776 601 1 1 . 1 1 159 159 HIS N N 159 111.022 111.022 116.067 -5.045 25776 602 1 1 . 1 1 159 159 HIS C C 159 173.158 173.158 173.843 -0.685 25776 603 1 1 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.253 1.183 25776 604 1 1 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.083 1.309 25776 605 1 1 . 1 1 159 159 HIS H H 159 8.201 8.201 8.148 0.053 25776 606 1 1 . 1 1 160 160 ALA N N 160 122.967 122.967 120.322 2.645 25776 607 1 1 . 1 1 160 160 ALA C C 160 176.212 176.212 174.858 1.354 25776 608 1 1 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.479 0.843 25776 609 1 1 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.562 1.864 25776 610 1 1 . 1 1 160 160 ALA H H 160 8.389 8.389 7.544 0.845 25776 611 1 1 . 1 1 161 161 LEU N N 161 116.648 116.648 114.444 2.204 25776 612 1 1 . 1 1 161 161 LEU C C 161 174.922 174.922 174.874 0.048 25776 613 1 1 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.686 1.199 25776 614 1 1 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.776 1.719 25776 615 1 1 . 1 1 161 161 LEU H H 161 8.616 8.616 7.987 0.629 25776 616 1 1 . 1 1 162 162 PHE N N 162 121.938 121.938 119.419 2.519 25776 617 1 1 . 1 1 162 162 PHE C C 162 171.989 171.989 174.421 -2.432 25776 618 1 1 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.337 0.681 25776 619 1 1 . 1 1 162 162 PHE CB C 162 44.089 44.089 41.713 2.376 25776 620 1 1 . 1 1 162 162 PHE H H 162 9.221 9.221 8.564 0.657 25776 621 1 1 . 1 1 163 163 ASN N N 163 127.932 127.932 126.654 1.278 25776 622 1 1 . 1 1 163 163 ASN C C 163 171.357 171.357 173.856 -2.499 25776 623 1 1 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.940 0.009 25776 624 1 1 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.377 5.663 25776 625 1 1 . 1 1 163 163 ASN H H 163 7.735 7.735 8.081 -0.346 25776 626 1 1 . 1 1 164 164 MET N N 164 120.121 120.121 120.411 -0.290 25776 627 1 1 . 1 1 164 164 MET C C 164 172.837 172.837 173.851 -1.014 25776 628 1 1 . 1 1 164 164 MET CA C 164 55.914 55.914 54.260 1.654 25776 629 1 1 . 1 1 164 164 MET CB C 164 38.643 38.643 35.749 2.894 25776 630 1 1 . 1 1 164 164 MET H H 164 7.092 7.092 9.189 -2.097 25776 631 1 1 . 1 1 165 165 ALA N N 165 120.745 120.745 124.703 -3.958 25776 632 1 1 . 1 1 165 165 ALA C C 165 174.047 174.047 174.488 -0.441 25776 633 1 1 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.243 1.171 25776 634 1 1 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.645 0.498 25776 635 1 1 . 1 1 165 165 ALA H H 165 8.370 8.370 8.979 -0.609 25776 636 1 1 . 1 1 166 166 VAL N N 166 118.385 118.385 113.995 4.390 25776 637 1 1 . 1 1 166 166 VAL C C 166 172.556 172.556 174.239 -1.683 25776 638 1 1 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.851 -0.223 25776 639 1 1 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.845 3.282 25776 640 1 1 . 1 1 166 166 VAL H H 166 8.723 8.723 7.862 0.861 25776 641 1 1 . 1 1 167 167 TRP N N 167 123.258 123.258 128.472 -5.214 25776 642 1 1 . 1 1 167 167 TRP C C 167 174.016 174.016 175.326 -1.310 25776 643 1 1 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.372 2.232 25776 644 1 1 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.354 1.305 25776 645 1 1 . 1 1 167 167 TRP H H 167 9.312 9.312 8.420 0.892 25776 646 1 1 . 1 1 168 168 TYR N N 168 121.455 121.455 124.871 -3.416 25776 647 1 1 . 1 1 168 168 TYR C C 168 175.110 175.110 173.913 1.197 25776 648 1 1 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.647 -0.461 25776 649 1 1 . 1 1 168 168 TYR CB C 168 42.440 42.440 43.020 -0.580 25776 650 1 1 . 1 1 168 168 TYR H H 168 8.398 8.398 8.591 -0.193 25776 651 1 1 . 1 1 169 169 MET N N 169 124.800 124.800 121.589 3.211 25776 652 1 1 . 1 1 169 169 MET C C 169 172.688 172.688 173.961 -1.273 25776 653 1 1 . 1 1 169 169 MET CA C 169 55.640 55.640 55.277 0.363 25776 654 1 1 . 1 1 169 169 MET CB C 169 34.143 34.143 34.039 0.104 25776 655 1 1 . 1 1 169 169 MET H H 169 8.131 8.131 8.295 -0.164 25776 656 1 1 . 1 1 170 170 ASP N N 170 122.780 122.780 125.874 -3.094 25776 657 1 1 . 1 1 170 170 ASP C C 170 174.864 174.864 175.376 -0.512 25776 658 1 1 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.803 1.080 25776 659 1 1 . 1 1 170 170 ASP CB C 170 41.678 41.678 44.072 -2.394 25776 660 1 1 . 1 1 170 170 ASP H H 170 8.191 8.191 8.376 -0.185 25776 661 1 1 . 1 1 171 171 ILE N N 171 127.252 127.252 120.175 7.077 25776 662 1 1 . 1 1 171 171 ILE C C 171 174.476 174.476 174.668 -0.192 25776 663 1 1 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.921 -0.978 25776 664 1 1 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.329 2.192 25776 665 1 1 . 1 1 171 171 ILE H H 171 7.805 7.805 8.284 -0.479 25776 666 1 1 . 1 1 172 172 ASP N N 172 129.369 129.369 125.927 3.442 25776 667 1 1 . 1 1 172 172 ASP C C 172 174.520 174.520 175.857 -1.337 25776 668 1 1 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.112 0.689 25776 669 1 1 . 1 1 172 172 ASP CB C 172 43.089 43.089 43.288 -0.199 25776 670 1 1 . 1 1 172 172 ASP H H 172 8.541 8.541 8.411 0.130 25776 671 1 1 . 1 1 173 173 THR N N 173 118.920 118.920 112.745 6.175 25776 672 1 1 . 1 1 173 173 THR C C 173 172.170 172.170 173.838 -1.668 25776 673 1 1 . 1 1 173 173 THR CA C 173 60.936 60.936 60.760 0.176 25776 674 1 1 . 1 1 173 173 THR CB C 173 70.002 70.002 70.844 -0.842 25776 675 1 1 . 1 1 173 173 THR H H 173 8.814 8.814 7.968 0.846 25776 676 1 1 . 1 1 176 176 SER C C 176 174.672 174.672 173.725 0.947 25776 677 1 1 . 1 1 176 176 SER CA C 176 58.834 58.834 58.156 0.678 25776 678 1 1 . 1 1 176 176 SER CB C 176 64.984 64.984 61.980 3.004 25776 679 1 1 . 1 1 177 177 ILE N N 177 121.645 121.645 123.099 -1.454 25776 680 1 1 . 1 1 177 177 ILE C C 177 174.945 174.945 174.678 0.267 25776 681 1 1 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.336 2.010 25776 682 1 1 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.009 1.130 25776 683 1 1 . 1 1 177 177 ILE H H 177 7.993 7.993 7.693 0.300 25776 684 1 1 . 1 1 178 178 ASN N N 178 127.223 127.223 126.517 0.706 25776 685 1 1 . 1 1 178 178 ASN C C 178 179.120 179.120 175.554 3.566 25776 686 1 1 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.164 2.498 25776 687 1 1 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.866 3.053 25776 688 1 1 . 1 1 178 178 ASN H H 178 7.882 7.882 8.744 -0.862 25776 689 1 1 . 1 1 182 182 ALA N N 182 124.095 124.095 123.610 0.485 25776 690 1 1 . 1 1 182 182 ALA C C 182 177.680 177.680 175.781 1.899 25776 691 1 1 . 1 1 182 182 ALA CA C 182 54.216 54.216 52.792 1.424 25776 692 1 1 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.640 0.129 25776 693 1 1 . 1 1 182 182 ALA H H 182 8.100 8.100 7.693 0.407 25776 694 1 1 . 1 1 183 183 LEU N N 183 118.394 118.394 121.516 -3.122 25776 695 1 1 . 1 1 183 183 LEU C C 183 177.352 177.352 176.341 1.011 25776 696 1 1 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.503 0.324 25776 697 1 1 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.921 -0.737 25776 698 1 1 . 1 1 183 183 LEU H H 183 7.854 7.854 8.022 -0.168 25776 699 1 1 . 1 1 184 184 GLY N N 184 107.897 107.897 113.364 -5.467 25776 700 1 1 . 1 1 184 184 GLY C C 184 174.288 174.288 173.519 0.769 25776 701 1 1 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.648 2.028 25776 702 1 1 . 1 1 184 184 GLY H H 184 7.883 7.883 8.345 -0.462 25776 703 1 1 . 1 1 185 185 VAL N N 185 118.254 118.254 118.505 -0.251 25776 704 1 1 . 1 1 185 185 VAL C C 185 175.475 175.475 174.567 0.908 25776 705 1 1 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.424 1.624 25776 706 1 1 . 1 1 185 185 VAL CB C 185 33.471 33.471 31.556 1.915 25776 707 1 1 . 1 1 185 185 VAL H H 185 7.676 7.676 8.129 -0.453 25776 708 1 1 . 1 1 186 186 ASN N N 186 121.756 121.756 126.241 -4.485 25776 709 1 1 . 1 1 186 186 ASN C C 186 174.724 174.724 175.057 -0.333 25776 710 1 1 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.094 1.499 25776 711 1 1 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.338 1.560 25776 712 1 1 . 1 1 186 186 ASN H H 186 8.331 8.331 8.902 -0.571 25776 713 1 1 . 1 1 187 187 LYS N N 187 120.959 120.959 122.381 -1.422 25776 714 1 1 . 1 1 187 187 LYS C C 187 174.652 174.652 175.418 -0.766 25776 715 1 1 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.497 0.701 25776 716 1 1 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.144 0.899 25776 717 1 1 . 1 1 187 187 LYS H H 187 8.031 8.031 8.260 -0.229 25776 718 1 1 . 1 1 189 189 LYS C C 189 176.088 176.088 176.018 0.070 25776 719 1 1 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.844 1.598 25776 720 1 1 . 1 1 190 190 VAL N N 190 121.122 121.122 118.058 3.064 25776 721 1 1 . 1 1 190 190 VAL C C 190 175.545 175.545 175.122 0.423 25776 722 1 1 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.220 -0.099 25776 723 1 1 . 1 1 190 190 VAL CB C 190 33.948 33.948 30.909 3.039 25776 724 1 1 . 1 1 190 190 VAL H H 190 8.067 8.067 8.466 -0.399 25776 725 1 1 . 1 1 191 191 ASP N N 191 124.022 124.022 117.056 6.966 25776 726 1 1 . 1 1 191 191 ASP C C 191 175.710 175.710 175.901 -0.191 25776 727 1 1 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.868 0.401 25776 728 1 1 . 1 1 191 191 ASP CB C 191 41.978 41.978 40.978 1.000 25776 729 1 1 . 1 1 191 191 ASP H H 191 8.282 8.282 7.981 0.301 25776 730 1 1 . 1 1 192 192 VAL N N 192 118.928 118.928 121.730 -2.802 25776 731 1 1 . 1 1 192 192 VAL C C 192 175.433 175.433 175.139 0.294 25776 732 1 1 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.407 -0.587 25776 733 1 1 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.224 1.881 25776 734 1 1 . 1 1 192 192 VAL H H 192 7.877 7.877 8.245 -0.368 25776 735 1 1 . 1 1 193 193 ASP N N 193 124.364 124.364 127.457 -3.093 25776 736 1 1 . 1 1 193 193 ASP C C 193 176.118 176.118 175.149 0.969 25776 737 1 1 . 1 1 193 193 ASP CA C 193 55.211 55.211 53.273 1.938 25776 738 1 1 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.588 -0.555 25776 739 1 1 . 1 1 193 193 ASP H H 193 8.335 8.335 8.416 -0.081 25776 740 1 1 . 1 1 198 198 VAL N N 198 126.400 126.400 126.678 -0.278 25776 741 1 1 . 1 1 198 198 VAL C C 198 174.600 174.600 175.011 -0.411 25776 742 1 1 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.123 -0.683 25776 743 1 1 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.753 2.347 25776 744 1 1 . 1 1 198 198 VAL H H 198 8.474 8.474 8.094 0.380 25776 745 1 1 . 1 1 199 199 TYR N N 199 123.900 123.900 125.533 -1.633 25776 746 1 1 . 1 1 199 199 TYR C C 199 173.600 173.600 174.281 -0.681 25776 747 1 1 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.682 -2.172 25776 748 1 1 . 1 1 199 199 TYR CB C 199 40.630 40.630 42.612 -1.982 25776 749 1 1 . 1 1 199 199 TYR H H 199 8.748 8.748 8.403 0.345 25776 750 1 1 . 1 1 200 200 MET N N 200 123.700 123.700 123.196 0.504 25776 751 1 1 . 1 1 200 200 MET CA C 200 49.420 49.420 54.551 -5.131 25776 752 1 1 . 1 1 200 200 MET H H 200 9.057 9.057 8.866 0.191 25776 753 1 1 . 1 1 201 201 ILE C C 201 174.016 174.016 174.740 -0.724 25776 754 1 1 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.100 1.373 25776 755 1 1 . 1 1 201 201 ILE CB C 201 42.435 42.435 42.208 0.227 25776 756 1 1 . 1 1 202 202 GLY N N 202 113.215 113.215 110.799 2.416 25776 757 1 1 . 1 1 202 202 GLY C C 202 170.124 170.124 172.114 -1.990 25776 758 1 1 . 1 1 202 202 GLY CA C 202 47.560 47.560 45.083 2.477 25776 759 1 1 . 1 1 202 202 GLY H H 202 8.646 8.646 7.843 0.803 25776 760 1 1 . 1 1 203 203 PHE N N 203 116.782 116.782 117.993 -1.211 25776 761 1 1 . 1 1 203 203 PHE C C 203 174.063 174.063 174.955 -0.892 25776 762 1 1 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.511 -0.060 25776 763 1 1 . 1 1 203 203 PHE CB C 203 45.699 45.699 44.017 1.682 25776 764 1 1 . 1 1 203 203 PHE H H 203 8.482 8.482 8.589 -0.107 25776 765 1 1 . 1 1 204 204 GLY N N 204 105.936 105.936 105.345 0.591 25776 766 1 1 . 1 1 204 204 GLY C C 204 171.097 171.097 172.371 -1.274 25776 767 1 1 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.059 2.415 25776 768 1 1 . 1 1 204 204 GLY H H 204 9.003 9.003 8.327 0.676 25776 769 1 1 . 1 1 205 205 TYR N N 205 121.196 121.196 118.988 2.208 25776 770 1 1 . 1 1 205 205 TYR C C 205 172.994 172.994 174.622 -1.628 25776 771 1 1 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.542 0.144 25776 772 1 1 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.613 1.577 25776 773 1 1 . 1 1 205 205 TYR H H 205 9.413 9.413 8.289 1.124 25776 774 1 1 . 1 1 206 206 LYS N N 206 126.788 126.788 124.625 2.163 25776 775 1 1 . 1 1 206 206 LYS C C 206 174.161 174.161 175.892 -1.731 25776 776 1 1 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.705 -0.275 25776 777 1 1 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.481 1.944 25776 778 1 1 . 1 1 206 206 LYS H H 206 8.364 8.364 8.434 -0.070 25776 779 1 1 . 1 1 207 207 PHE N N 207 126.168 126.168 126.312 -0.144 25776 780 1 1 . 1 1 207 207 PHE C C 207 175.094 175.094 176.121 -1.027 25776 781 1 1 . 1 1 207 207 PHE CA C 207 58.690 58.690 59.396 -0.706 25776 782 1 1 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.070 1.593 25776 783 1 1 . 1 1 207 207 PHE H H 207 9.308 9.308 8.257 1.051 25776 784 1 1 . 1 1 208 208 LEU N N 208 123.199 123.199 123.336 -0.137 25776 785 1 1 . 1 1 208 208 LEU C C 208 176.580 176.580 176.556 0.024 25776 786 1 1 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.931 0.540 25776 787 1 1 . 1 1 208 208 LEU CB C 208 44.713 44.713 42.464 2.249 25776 788 1 1 . 1 1 208 208 LEU H H 208 8.376 8.376 8.465 -0.089 25776 789 1 1 . 1 1 209 209 GLU N N 209 121.960 121.960 122.518 -0.558 25776 790 1 1 . 1 1 209 209 GLU C C 209 176.226 176.226 175.748 0.478 25776 791 1 1 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.923 1.809 25776 792 1 1 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.715 0.738 25776 793 1 1 . 1 1 209 209 GLU H H 209 8.500 8.500 8.677 -0.177 25776 794 1 2 . 1 1 2 2 HIS C C 2 175.393 175.393 174.012 1.381 25776 795 1 2 . 1 1 2 2 HIS CA C 2 53.804 53.804 56.391 -2.587 25776 796 1 2 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.112 -0.332 25776 797 1 2 . 1 1 3 3 LYS N N 3 121.908 121.908 119.750 2.158 25776 798 1 2 . 1 1 3 3 LYS C C 3 173.475 173.475 174.851 -1.376 25776 799 1 2 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.546 -0.519 25776 800 1 2 . 1 1 3 3 LYS CB C 3 35.200 35.200 34.942 0.258 25776 801 1 2 . 1 1 3 3 LYS H H 3 8.608 8.608 7.947 0.661 25776 802 1 2 . 1 1 4 4 ALA N N 4 120.771 120.771 125.867 -5.096 25776 803 1 2 . 1 1 4 4 ALA C C 4 178.118 178.118 178.008 0.110 25776 804 1 2 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.247 1.192 25776 805 1 2 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.028 0.021 25776 806 1 2 . 1 1 4 4 ALA H H 4 8.581 8.581 8.491 0.090 25776 807 1 2 . 1 1 5 5 GLY N N 5 112.807 112.807 114.055 -1.248 25776 808 1 2 . 1 1 5 5 GLY C C 5 173.788 173.788 174.203 -0.415 25776 809 1 2 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.516 0.304 25776 810 1 2 . 1 1 5 5 GLY H H 5 9.170 9.170 8.982 0.188 25776 811 1 2 . 1 1 6 6 ASP N N 6 121.504 121.504 121.714 -0.210 25776 812 1 2 . 1 1 6 6 ASP C C 6 174.307 174.307 175.478 -1.171 25776 813 1 2 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.356 0.462 25776 814 1 2 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.293 0.282 25776 815 1 2 . 1 1 6 6 ASP H H 6 7.619 7.619 7.708 -0.089 25776 816 1 2 . 1 1 7 7 PHE N N 7 121.212 121.212 121.975 -0.763 25776 817 1 2 . 1 1 7 7 PHE C C 7 174.030 174.030 175.605 -1.575 25776 818 1 2 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.337 -1.736 25776 819 1 2 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.766 3.310 25776 820 1 2 . 1 1 7 7 PHE H H 7 8.285 8.285 8.548 -0.263 25776 821 1 2 . 1 1 8 8 ILE N N 8 128.185 128.185 122.149 6.036 25776 822 1 2 . 1 1 8 8 ILE C C 8 173.961 173.961 174.183 -0.222 25776 823 1 2 . 1 1 8 8 ILE CA C 8 61.723 61.723 60.112 1.611 25776 824 1 2 . 1 1 8 8 ILE CB C 8 43.669 43.669 42.053 1.615 25776 825 1 2 . 1 1 8 8 ILE H H 8 9.245 9.245 9.009 0.236 25776 826 1 2 . 1 1 9 9 ILE N N 9 125.624 125.624 124.642 0.982 25776 827 1 2 . 1 1 9 9 ILE C C 9 173.731 173.731 175.283 -1.552 25776 828 1 2 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.858 0.432 25776 829 1 2 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.371 2.720 25776 830 1 2 . 1 1 9 9 ILE H H 9 8.628 8.628 8.975 -0.347 25776 831 1 2 . 1 1 10 10 ARG N N 10 125.025 125.025 127.125 -2.100 25776 832 1 2 . 1 1 10 10 ARG C C 10 175.074 175.074 175.426 -0.352 25776 833 1 2 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.653 -0.159 25776 834 1 2 . 1 1 10 10 ARG CB C 10 32.772 32.772 31.339 1.433 25776 835 1 2 . 1 1 10 10 ARG H H 10 9.225 9.225 9.105 0.120 25776 836 1 2 . 1 1 11 11 GLY N N 11 106.141 106.141 110.203 -4.062 25776 837 1 2 . 1 1 11 11 GLY C C 11 171.959 171.959 173.132 -1.173 25776 838 1 2 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.382 1.825 25776 839 1 2 . 1 1 11 11 GLY H H 11 8.885 8.885 8.414 0.471 25776 840 1 2 . 1 1 12 12 GLY N N 12 107.818 107.818 104.729 3.089 25776 841 1 2 . 1 1 12 12 GLY C C 12 171.465 171.465 171.664 -0.199 25776 842 1 2 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.418 1.895 25776 843 1 2 . 1 1 12 12 GLY H H 12 8.433 8.433 7.565 0.868 25776 844 1 2 . 1 1 13 13 PHE N N 13 120.233 120.233 119.211 1.022 25776 845 1 2 . 1 1 13 13 PHE C C 13 174.056 174.056 173.454 0.602 25776 846 1 2 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.118 0.033 25776 847 1 2 . 1 1 13 13 PHE CB C 13 41.625 41.625 42.620 -0.995 25776 848 1 2 . 1 1 13 13 PHE H H 13 8.606 8.606 7.957 0.649 25776 849 1 2 . 1 1 18 18 PRO C C 18 176.552 176.552 175.568 0.984 25776 850 1 2 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.529 0.562 25776 851 1 2 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.376 1.273 25776 852 1 2 . 1 1 19 19 ASP N N 19 121.094 121.094 120.933 0.161 25776 853 1 2 . 1 1 19 19 ASP C C 19 176.047 176.047 175.577 0.470 25776 854 1 2 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.203 1.071 25776 855 1 2 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.245 0.798 25776 856 1 2 . 1 1 19 19 ASP H H 19 8.372 8.372 8.373 -0.001 25776 857 1 2 . 1 1 20 20 ASP N N 20 123.179 123.179 120.268 2.911 25776 858 1 2 . 1 1 20 20 ASP C C 20 176.790 176.790 176.422 0.368 25776 859 1 2 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.683 -0.588 25776 860 1 2 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.215 0.619 25776 861 1 2 . 1 1 20 20 ASP H H 20 8.357 8.357 8.377 -0.020 25776 862 1 2 . 1 1 21 21 SER N N 21 117.319 117.319 113.901 3.418 25776 863 1 2 . 1 1 21 21 SER C C 21 175.218 175.218 172.865 2.353 25776 864 1 2 . 1 1 21 21 SER CA C 21 60.134 60.134 57.862 2.272 25776 865 1 2 . 1 1 21 21 SER CB C 21 64.701 64.701 64.326 0.375 25776 866 1 2 . 1 1 21 21 SER H H 21 8.398 8.398 7.666 0.732 25776 867 1 2 . 1 1 22 22 SER N N 22 117.994 117.994 122.209 -4.215 25776 868 1 2 . 1 1 22 22 SER C C 22 174.877 174.877 174.506 0.371 25776 869 1 2 . 1 1 22 22 SER CA C 22 59.839 59.839 58.612 1.227 25776 870 1 2 . 1 1 22 22 SER CB C 22 64.669 64.669 64.233 0.436 25776 871 1 2 . 1 1 22 22 SER H H 22 8.314 8.314 8.536 -0.222 25776 872 1 2 . 1 1 23 23 SER N N 23 117.809 117.809 119.165 -1.356 25776 873 1 2 . 1 1 23 23 SER C C 23 174.298 174.298 173.866 0.432 25776 874 1 2 . 1 1 23 23 SER CA C 23 59.629 59.629 58.367 1.262 25776 875 1 2 . 1 1 23 23 SER CB C 23 64.802 64.802 64.280 0.522 25776 876 1 2 . 1 1 23 23 SER H H 23 8.143 8.143 8.668 -0.525 25776 877 1 2 . 1 1 24 24 ASP N N 24 122.829 122.829 120.272 2.557 25776 878 1 2 . 1 1 24 24 ASP C C 24 176.250 176.250 175.666 0.584 25776 879 1 2 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.858 0.636 25776 880 1 2 . 1 1 24 24 ASP CB C 24 41.841 41.841 39.071 2.770 25776 881 1 2 . 1 1 24 24 ASP H H 24 8.234 8.234 8.244 -0.010 25776 882 1 2 . 1 1 25 25 ILE N N 25 120.717 120.717 117.707 3.010 25776 883 1 2 . 1 1 25 25 ILE C C 25 176.204 176.204 177.330 -1.126 25776 884 1 2 . 1 1 25 25 ILE CA C 25 62.556 62.556 62.392 0.164 25776 885 1 2 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.997 0.671 25776 886 1 2 . 1 1 25 25 ILE H H 25 7.884 7.884 7.718 0.166 25776 887 1 2 . 1 1 26 26 LYS N N 26 124.527 124.527 119.580 4.947 25776 888 1 2 . 1 1 26 26 LYS C C 26 176.616 176.616 175.420 1.196 25776 889 1 2 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.182 1.010 25776 890 1 2 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.331 0.478 25776 891 1 2 . 1 1 26 26 LYS H H 26 8.164 8.164 8.097 0.067 25776 892 1 2 . 1 1 27 27 LEU N N 27 123.292 123.292 121.346 1.946 25776 893 1 2 . 1 1 27 27 LEU C C 27 177.077 177.077 175.126 1.951 25776 894 1 2 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.293 1.880 25776 895 1 2 . 1 1 27 27 LEU CB C 27 43.317 43.317 44.036 -0.719 25776 896 1 2 . 1 1 27 27 LEU H H 27 8.100 8.100 7.581 0.519 25776 897 1 2 . 1 1 28 28 ASP N N 28 121.059 121.059 121.201 -0.142 25776 898 1 2 . 1 1 28 28 ASP C C 28 176.929 176.929 175.100 1.829 25776 899 1 2 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.473 1.875 25776 900 1 2 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.975 0.100 25776 901 1 2 . 1 1 28 28 ASP H H 28 8.209 8.209 8.391 -0.182 25776 902 1 2 . 1 1 29 29 GLY N N 29 110.032 110.032 110.044 -0.012 25776 903 1 2 . 1 1 29 29 GLY C C 29 174.364 174.364 173.376 0.988 25776 904 1 2 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.360 2.518 25776 905 1 2 . 1 1 29 29 GLY H H 29 8.274 8.274 8.353 -0.079 25776 906 1 2 . 1 1 30 30 ALA N N 30 124.102 124.102 121.072 3.030 25776 907 1 2 . 1 1 30 30 ALA C C 30 178.005 178.005 176.270 1.735 25776 908 1 2 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.863 1.961 25776 909 1 2 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.532 -0.405 25776 910 1 2 . 1 1 30 30 ALA H H 30 8.085 8.085 8.064 0.021 25776 911 1 2 . 1 1 31 31 LYS N N 31 119.810 119.810 120.603 -0.793 25776 912 1 2 . 1 1 31 31 LYS C C 31 176.650 176.650 176.358 0.292 25776 913 1 2 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.568 0.904 25776 914 1 2 . 1 1 31 31 LYS CB C 31 33.948 33.948 34.090 -0.142 25776 915 1 2 . 1 1 31 31 LYS H H 31 8.075 8.075 8.427 -0.352 25776 916 1 2 . 1 1 32 32 GLN N N 32 121.045 121.045 123.089 -2.044 25776 917 1 2 . 1 1 32 32 GLN C C 32 175.862 175.862 175.768 0.094 25776 918 1 2 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.529 1.410 25776 919 1 2 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.238 0.956 25776 920 1 2 . 1 1 32 32 GLN H H 32 8.182 8.182 8.930 -0.748 25776 921 1 2 . 1 1 33 33 ARG N N 33 122.683 122.683 117.994 4.689 25776 922 1 2 . 1 1 33 33 ARG C C 33 176.492 176.492 177.212 -0.720 25776 923 1 2 . 1 1 33 33 ARG CA C 33 57.082 57.082 57.839 -0.757 25776 924 1 2 . 1 1 33 33 ARG CB C 33 31.952 31.952 28.512 3.440 25776 925 1 2 . 1 1 33 33 ARG H H 33 8.288 8.288 8.441 -0.153 25776 926 1 2 . 1 1 36 36 LYS C C 36 176.028 176.028 175.102 0.926 25776 927 1 2 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.639 0.584 25776 928 1 2 . 1 1 36 36 LYS CB C 36 34.262 34.262 31.889 2.373 25776 929 1 2 . 1 1 37 37 ALA N N 37 125.793 125.793 126.586 -0.793 25776 930 1 2 . 1 1 37 37 ALA C C 37 177.567 177.567 176.734 0.833 25776 931 1 2 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.708 1.860 25776 932 1 2 . 1 1 37 37 ALA CB C 37 20.408 20.408 20.166 0.242 25776 933 1 2 . 1 1 37 37 ALA H H 37 8.329 8.329 8.027 0.302 25776 934 1 2 . 1 1 38 38 THR N N 38 113.398 113.398 111.372 2.026 25776 935 1 2 . 1 1 38 38 THR C C 38 174.556 174.556 174.351 0.205 25776 936 1 2 . 1 1 38 38 THR CA C 38 62.551 62.551 61.213 1.338 25776 937 1 2 . 1 1 38 38 THR CB C 38 71.054 71.054 70.810 0.244 25776 938 1 2 . 1 1 38 38 THR H H 38 8.007 8.007 8.349 -0.342 25776 939 1 2 . 1 1 39 39 VAL N N 39 120.865 120.865 116.208 4.657 25776 940 1 2 . 1 1 39 39 VAL C C 39 175.523 175.523 175.136 0.387 25776 941 1 2 . 1 1 39 39 VAL CA C 39 63.100 63.100 61.776 1.324 25776 942 1 2 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.591 1.453 25776 943 1 2 . 1 1 39 39 VAL H H 39 8.043 8.043 7.964 0.079 25776 944 1 2 . 1 1 40 40 ASP N N 40 124.053 124.053 122.590 1.463 25776 945 1 2 . 1 1 40 40 ASP C C 40 176.132 176.132 175.331 0.801 25776 946 1 2 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.305 0.976 25776 947 1 2 . 1 1 40 40 ASP CB C 40 42.219 42.219 42.646 -0.427 25776 948 1 2 . 1 1 40 40 ASP H H 40 8.333 8.333 8.210 0.123 25776 949 1 2 . 1 1 41 41 SER N N 41 115.655 115.655 117.915 -2.260 25776 950 1 2 . 1 1 41 41 SER C C 41 174.147 174.147 173.100 1.047 25776 951 1 2 . 1 1 41 41 SER CA C 41 59.367 59.367 58.572 0.795 25776 952 1 2 . 1 1 41 41 SER CB C 41 65.027 65.027 65.057 -0.030 25776 953 1 2 . 1 1 41 41 SER H H 41 8.142 8.142 8.812 -0.670 25776 954 1 2 . 1 1 42 42 ASP N N 42 123.005 123.005 120.104 2.901 25776 955 1 2 . 1 1 42 42 ASP C C 42 176.578 176.578 175.612 0.966 25776 956 1 2 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.525 0.914 25776 957 1 2 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.507 -0.103 25776 958 1 2 . 1 1 42 42 ASP H H 42 8.433 8.433 7.714 0.719 25776 959 1 2 . 1 1 43 43 THR C C 43 176.244 176.244 174.610 1.634 25776 960 1 2 . 1 1 43 43 THR CA C 43 62.772 62.772 63.258 -0.486 25776 961 1 2 . 1 1 43 43 THR CB C 43 71.018 71.018 69.397 1.621 25776 962 1 2 . 1 1 44 44 GLN N N 44 123.824 123.824 120.865 2.959 25776 963 1 2 . 1 1 44 44 GLN C C 44 177.061 177.061 174.766 2.295 25776 964 1 2 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.334 1.946 25776 965 1 2 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.119 3.543 25776 966 1 2 . 1 1 44 44 GLN H H 44 8.270 8.270 8.006 0.264 25776 967 1 2 . 1 1 45 45 LEU N N 45 122.159 122.159 121.869 0.290 25776 968 1 2 . 1 1 45 45 LEU C C 45 176.419 176.419 176.695 -0.276 25776 969 1 2 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.940 2.178 25776 970 1 2 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.459 -0.838 25776 971 1 2 . 1 1 45 45 LEU H H 45 7.940 7.940 8.067 -0.127 25776 972 1 2 . 1 1 46 46 GLY N N 46 107.861 107.861 107.406 0.455 25776 973 1 2 . 1 1 46 46 GLY C C 46 171.538 171.538 172.265 -0.727 25776 974 1 2 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.335 0.440 25776 975 1 2 . 1 1 46 46 GLY H H 46 8.566 8.566 8.406 0.160 25776 976 1 2 . 1 1 47 47 LEU N N 47 122.959 122.959 123.784 -0.825 25776 977 1 2 . 1 1 47 47 LEU C C 47 175.422 175.422 175.545 -0.123 25776 978 1 2 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.056 0.275 25776 979 1 2 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.103 2.240 25776 980 1 2 . 1 1 47 47 LEU H H 47 8.457 8.457 7.994 0.463 25776 981 1 2 . 1 1 48 48 THR N N 48 112.144 112.144 116.616 -4.472 25776 982 1 2 . 1 1 48 48 THR C C 48 172.347 172.347 173.149 -0.802 25776 983 1 2 . 1 1 48 48 THR CA C 48 59.573 59.573 60.921 -1.348 25776 984 1 2 . 1 1 48 48 THR CB C 48 72.843 72.843 71.928 0.915 25776 985 1 2 . 1 1 48 48 THR H H 48 8.814 8.814 8.291 0.523 25776 986 1 2 . 1 1 49 49 PHE N N 49 118.787 118.787 125.368 -6.581 25776 987 1 2 . 1 1 49 49 PHE C C 49 174.623 174.623 174.355 0.268 25776 988 1 2 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.048 -1.311 25776 989 1 2 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.188 0.798 25776 990 1 2 . 1 1 49 49 PHE H H 49 8.455 8.455 8.542 -0.087 25776 991 1 2 . 1 1 50 50 THR N N 50 121.279 121.279 121.211 0.068 25776 992 1 2 . 1 1 50 50 THR C C 50 173.272 173.272 172.782 0.490 25776 993 1 2 . 1 1 50 50 THR CA C 50 63.315 63.315 59.314 4.001 25776 994 1 2 . 1 1 50 50 THR CB C 50 74.327 74.327 71.006 3.321 25776 995 1 2 . 1 1 50 50 THR H H 50 9.372 9.372 8.966 0.406 25776 996 1 2 . 1 1 51 51 TYR N N 51 126.005 126.005 125.514 0.491 25776 997 1 2 . 1 1 51 51 TYR C C 51 174.837 174.837 175.903 -1.066 25776 998 1 2 . 1 1 51 51 TYR CA C 51 56.860 56.860 55.962 0.898 25776 999 1 2 . 1 1 51 51 TYR CB C 51 42.447 42.447 38.376 4.071 25776 1000 1 2 . 1 1 51 51 TYR H H 51 9.157 9.157 8.387 0.770 25776 1001 1 2 . 1 1 52 52 MET N N 52 127.601 127.601 122.854 4.747 25776 1002 1 2 . 1 1 52 52 MET C C 52 174.466 174.466 175.121 -0.655 25776 1003 1 2 . 1 1 52 52 MET CA C 52 53.171 53.171 57.145 -3.974 25776 1004 1 2 . 1 1 52 52 MET CB C 52 29.467 29.467 33.290 -3.823 25776 1005 1 2 . 1 1 52 52 MET H H 52 7.998 7.998 8.305 -0.307 25776 1006 1 2 . 1 1 53 53 PHE N N 53 123.918 123.918 124.954 -1.036 25776 1007 1 2 . 1 1 53 53 PHE C C 53 173.685 173.685 174.064 -0.379 25776 1008 1 2 . 1 1 53 53 PHE CA C 53 57.614 57.614 55.746 1.867 25776 1009 1 2 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.311 -3.200 25776 1010 1 2 . 1 1 53 53 PHE H H 53 7.762 7.762 9.280 -1.518 25776 1011 1 2 . 1 1 54 54 ALA N N 54 125.892 125.892 125.245 0.647 25776 1012 1 2 . 1 1 54 54 ALA C C 54 174.976 174.976 177.287 -2.311 25776 1013 1 2 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.307 -1.865 25776 1014 1 2 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.527 5.007 25776 1015 1 2 . 1 1 54 54 ALA H H 54 8.396 8.396 7.286 1.110 25776 1016 1 2 . 1 1 55 55 ASP N N 55 118.951 118.951 116.847 2.104 25776 1017 1 2 . 1 1 55 55 ASP C C 55 174.777 174.777 175.905 -1.128 25776 1018 1 2 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.103 2.036 25776 1019 1 2 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.420 0.528 25776 1020 1 2 . 1 1 55 55 ASP H H 55 8.632 8.632 8.686 -0.054 25776 1021 1 2 . 1 1 56 56 LYS N N 56 106.363 106.363 114.449 -8.086 25776 1022 1 2 . 1 1 56 56 LYS C C 56 174.930 174.930 174.876 0.054 25776 1023 1 2 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.479 -0.609 25776 1024 1 2 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.562 3.875 25776 1025 1 2 . 1 1 56 56 LYS H H 56 7.300 7.300 8.665 -1.365 25776 1026 1 2 . 1 1 57 57 TRP N N 57 115.784 115.784 121.820 -6.036 25776 1027 1 2 . 1 1 57 57 TRP C C 57 173.960 173.960 175.336 -1.376 25776 1028 1 2 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.820 -0.863 25776 1029 1 2 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.690 1.486 25776 1030 1 2 . 1 1 57 57 TRP H H 57 6.612 6.612 8.076 -1.464 25776 1031 1 2 . 1 1 58 58 GLY N N 58 107.657 107.657 106.019 1.638 25776 1032 1 2 . 1 1 58 58 GLY C C 58 172.720 172.720 172.166 0.554 25776 1033 1 2 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.652 0.132 25776 1034 1 2 . 1 1 58 58 GLY H H 58 9.271 9.271 8.315 0.956 25776 1035 1 2 . 1 1 59 59 VAL N N 59 118.434 118.434 123.182 -4.748 25776 1036 1 2 . 1 1 59 59 VAL C C 59 172.973 172.973 174.544 -1.571 25776 1037 1 2 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.185 -0.547 25776 1038 1 2 . 1 1 59 59 VAL CB C 59 36.036 36.036 34.413 1.623 25776 1039 1 2 . 1 1 59 59 VAL H H 59 9.080 9.080 8.097 0.983 25776 1040 1 2 . 1 1 60 60 GLU N N 60 127.915 127.915 126.794 1.121 25776 1041 1 2 . 1 1 60 60 GLU C C 60 174.464 174.464 174.728 -0.264 25776 1042 1 2 . 1 1 60 60 GLU CA C 60 53.751 53.751 53.512 0.239 25776 1043 1 2 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.535 2.507 25776 1044 1 2 . 1 1 60 60 GLU H H 60 9.431 9.431 9.171 0.260 25776 1045 1 2 . 1 1 61 61 LEU N N 61 127.764 127.764 123.147 4.617 25776 1046 1 2 . 1 1 61 61 LEU C C 61 174.746 174.746 175.464 -0.718 25776 1047 1 2 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.382 -0.391 25776 1048 1 2 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.637 1.243 25776 1049 1 2 . 1 1 61 61 LEU H H 61 8.730 8.730 8.125 0.605 25776 1050 1 2 . 1 1 62 62 VAL N N 62 126.465 126.465 123.310 3.155 25776 1051 1 2 . 1 1 62 62 VAL C C 62 174.453 174.453 175.002 -0.549 25776 1052 1 2 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.317 0.968 25776 1053 1 2 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.637 2.449 25776 1054 1 2 . 1 1 62 62 VAL H H 62 9.068 9.068 7.728 1.340 25776 1055 1 2 . 1 1 63 63 ALA N N 63 130.444 130.444 127.934 2.510 25776 1056 1 2 . 1 1 63 63 ALA C C 63 174.030 174.030 174.937 -0.907 25776 1057 1 2 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.481 -1.231 25776 1058 1 2 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.445 2.058 25776 1059 1 2 . 1 1 63 63 ALA H H 63 9.124 9.124 8.379 0.745 25776 1060 1 2 . 1 1 64 64 ALA N N 64 121.285 121.285 124.947 -3.662 25776 1061 1 2 . 1 1 64 64 ALA C C 64 176.843 176.843 176.831 0.012 25776 1062 1 2 . 1 1 64 64 ALA CA C 64 52.170 52.170 50.767 1.403 25776 1063 1 2 . 1 1 64 64 ALA CB C 64 23.172 23.172 22.121 1.051 25776 1064 1 2 . 1 1 64 64 ALA H H 64 7.995 7.995 8.332 -0.337 25776 1065 1 2 . 1 1 65 65 THR N N 65 109.734 109.734 116.748 -7.014 25776 1066 1 2 . 1 1 65 65 THR C C 65 176.739 176.739 173.975 2.764 25776 1067 1 2 . 1 1 65 65 THR CA C 65 61.660 61.660 61.468 0.193 25776 1068 1 2 . 1 1 65 65 THR CB C 65 68.341 68.341 68.213 0.128 25776 1069 1 2 . 1 1 65 65 THR H H 65 8.108 8.108 8.635 -0.527 25776 1070 1 2 . 1 1 67 67 PHE N N 67 123.676 123.676 115.663 8.013 25776 1071 1 2 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.346 -0.498 25776 1072 1 2 . 1 1 67 67 PHE H H 67 8.382 8.382 7.690 0.692 25776 1073 1 2 . 1 1 74 74 LYS C C 74 177.704 177.704 176.380 1.324 25776 1074 1 2 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.471 -0.443 25776 1075 1 2 . 1 1 74 74 LYS CB C 74 34.062 34.062 30.425 3.637 25776 1076 1 2 . 1 1 75 75 GLY N N 75 108.841 108.841 108.063 0.778 25776 1077 1 2 . 1 1 75 75 GLY C C 75 174.405 174.405 173.769 0.636 25776 1078 1 2 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.762 1.950 25776 1079 1 2 . 1 1 75 75 GLY H H 75 8.069 8.069 7.920 0.149 25776 1080 1 2 . 1 1 76 76 LEU N N 76 120.093 120.093 120.160 -0.067 25776 1081 1 2 . 1 1 76 76 LEU C C 76 176.997 176.997 176.055 0.942 25776 1082 1 2 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.411 0.769 25776 1083 1 2 . 1 1 76 76 LEU CB C 76 45.997 45.997 41.800 4.197 25776 1084 1 2 . 1 1 76 76 LEU H H 76 7.623 7.623 8.025 -0.402 25776 1085 1 2 . 1 1 79 79 GLY C C 79 175.675 175.675 173.753 1.922 25776 1086 1 2 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.631 2.468 25776 1087 1 2 . 1 1 80 80 LEU N N 80 130.062 130.062 120.839 9.223 25776 1088 1 2 . 1 1 80 80 LEU C C 80 176.062 176.062 175.601 0.461 25776 1089 1 2 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.843 0.561 25776 1090 1 2 . 1 1 80 80 LEU CB C 80 43.006 43.006 41.749 1.257 25776 1091 1 2 . 1 1 80 80 LEU H H 80 9.441 9.441 8.364 1.077 25776 1092 1 2 . 1 1 81 81 ASP N N 81 124.816 124.816 122.531 2.285 25776 1093 1 2 . 1 1 81 81 ASP C C 81 178.992 178.992 176.582 2.410 25776 1094 1 2 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.934 1.835 25776 1095 1 2 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.373 0.574 25776 1096 1 2 . 1 1 81 81 ASP H H 81 7.854 7.854 8.576 -0.722 25776 1097 1 2 . 1 1 91 91 PRO C C 91 175.297 175.297 175.658 -0.361 25776 1098 1 2 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.131 -0.298 25776 1099 1 2 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.651 0.880 25776 1100 1 2 . 1 1 92 92 ALA N N 92 123.521 123.521 123.825 -0.304 25776 1101 1 2 . 1 1 92 92 ALA C C 92 175.643 175.643 176.643 -1.000 25776 1102 1 2 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.893 1.782 25776 1103 1 2 . 1 1 92 92 ALA CB C 92 22.725 22.725 20.335 2.390 25776 1104 1 2 . 1 1 92 92 ALA H H 92 8.829 8.829 8.117 0.712 25776 1105 1 2 . 1 1 93 93 THR N N 93 117.599 117.599 121.232 -3.633 25776 1106 1 2 . 1 1 93 93 THR C C 93 171.440 171.440 174.015 -2.575 25776 1107 1 2 . 1 1 93 93 THR CA C 93 62.066 62.066 62.652 -0.586 25776 1108 1 2 . 1 1 93 93 THR CB C 93 72.352 72.352 69.902 2.450 25776 1109 1 2 . 1 1 93 93 THR H H 93 8.237 8.237 8.069 0.168 25776 1110 1 2 . 1 1 94 94 LEU N N 94 129.530 129.530 127.027 2.503 25776 1111 1 2 . 1 1 94 94 LEU C C 94 174.995 174.995 174.690 0.305 25776 1112 1 2 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.819 -0.625 25776 1113 1 2 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.243 1.922 25776 1114 1 2 . 1 1 94 94 LEU H H 94 8.732 8.732 8.299 0.433 25776 1115 1 2 . 1 1 95 95 LEU N N 95 124.181 124.181 123.421 0.760 25776 1116 1 2 . 1 1 95 95 LEU C C 95 175.270 175.270 175.000 0.270 25776 1117 1 2 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.364 1.169 25776 1118 1 2 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.415 0.257 25776 1119 1 2 . 1 1 95 95 LEU H H 95 9.485 9.485 9.465 0.020 25776 1120 1 2 . 1 1 96 96 LEU N N 96 123.444 123.444 123.891 -0.447 25776 1121 1 2 . 1 1 96 96 LEU C C 96 174.997 174.997 175.892 -0.895 25776 1122 1 2 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.827 0.486 25776 1123 1 2 . 1 1 96 96 LEU CB C 96 45.148 45.148 42.188 2.960 25776 1124 1 2 . 1 1 96 96 LEU H H 96 8.836 8.836 8.512 0.324 25776 1125 1 2 . 1 1 97 97 GLN N N 97 121.545 121.545 122.814 -1.269 25776 1126 1 2 . 1 1 97 97 GLN C C 97 174.324 174.324 174.094 0.230 25776 1127 1 2 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.089 1.299 25776 1128 1 2 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.525 5.999 25776 1129 1 2 . 1 1 97 97 GLN H H 97 9.566 9.566 8.861 0.705 25776 1130 1 2 . 1 1 98 98 TYR N N 98 122.246 122.246 121.525 0.721 25776 1131 1 2 . 1 1 98 98 TYR C C 98 173.409 173.409 174.810 -1.401 25776 1132 1 2 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.340 -0.686 25776 1133 1 2 . 1 1 98 98 TYR CB C 98 43.208 43.208 43.310 -0.102 25776 1134 1 2 . 1 1 98 98 TYR H H 98 9.053 9.053 8.324 0.729 25776 1135 1 2 . 1 1 99 99 TYR N N 99 126.872 126.872 121.347 5.525 25776 1136 1 2 . 1 1 99 99 TYR C C 99 175.310 175.310 174.759 0.551 25776 1137 1 2 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.690 -0.934 25776 1138 1 2 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.144 1.491 25776 1139 1 2 . 1 1 99 99 TYR H H 99 8.344 8.344 8.748 -0.404 25776 1140 1 2 . 1 1 100 100 PRO C C 100 178.304 178.304 176.875 1.429 25776 1141 1 2 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.963 0.447 25776 1142 1 2 . 1 1 100 100 PRO CB C 100 33.107 33.107 31.978 1.129 25776 1143 1 2 . 1 1 101 101 MET N N 101 114.703 114.703 113.588 1.115 25776 1144 1 2 . 1 1 101 101 MET C C 101 178.218 178.218 175.050 3.168 25776 1145 1 2 . 1 1 101 101 MET CA C 101 54.147 54.147 53.974 0.173 25776 1146 1 2 . 1 1 101 101 MET CB C 101 30.956 30.956 32.617 -1.661 25776 1147 1 2 . 1 1 101 101 MET H H 101 9.432 9.432 7.730 1.702 25776 1148 1 2 . 1 1 102 102 GLY N N 102 117.671 117.671 108.832 8.839 25776 1149 1 2 . 1 1 102 102 GLY C C 102 175.611 175.611 174.140 1.471 25776 1150 1 2 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.933 2.519 25776 1151 1 2 . 1 1 102 102 GLY H H 102 8.671 8.671 7.498 1.173 25776 1152 1 2 . 1 1 103 103 GLY N N 103 111.298 111.298 112.580 -1.282 25776 1153 1 2 . 1 1 103 103 GLY C C 103 174.054 174.054 173.914 0.140 25776 1154 1 2 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.200 1.620 25776 1155 1 2 . 1 1 103 103 GLY H H 103 9.436 9.436 8.358 1.078 25776 1156 1 2 . 1 1 104 104 THR N N 104 109.330 109.330 112.680 -3.350 25776 1157 1 2 . 1 1 104 104 THR C C 104 174.248 174.248 174.584 -0.336 25776 1158 1 2 . 1 1 104 104 THR CA C 104 61.454 61.454 59.711 1.743 25776 1159 1 2 . 1 1 104 104 THR CB C 104 72.711 72.711 70.618 2.093 25776 1160 1 2 . 1 1 104 104 THR H H 104 7.321 7.321 7.491 -0.170 25776 1161 1 2 . 1 1 105 105 ASN C C 105 175.032 175.032 174.674 0.358 25776 1162 1 2 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.397 0.016 25776 1163 1 2 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.450 0.392 25776 1164 1 2 . 1 1 106 106 SER N N 106 113.116 113.116 116.215 -3.099 25776 1165 1 2 . 1 1 106 106 SER C C 106 175.961 175.961 174.390 1.571 25776 1166 1 2 . 1 1 106 106 SER CA C 106 59.289 59.289 57.941 1.348 25776 1167 1 2 . 1 1 106 106 SER CB C 106 65.208 65.208 63.715 1.493 25776 1168 1 2 . 1 1 106 106 SER H H 106 7.487 7.487 7.340 0.147 25776 1169 1 2 . 1 1 107 107 ALA N N 107 132.317 132.317 127.950 4.367 25776 1170 1 2 . 1 1 107 107 ALA C C 107 176.554 176.554 177.386 -0.832 25776 1171 1 2 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.684 1.315 25776 1172 1 2 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.906 0.624 25776 1173 1 2 . 1 1 107 107 ALA H H 107 8.891 8.891 8.709 0.182 25776 1174 1 2 . 1 1 108 108 PHE N N 108 116.265 116.265 117.478 -1.213 25776 1175 1 2 . 1 1 108 108 PHE C C 108 174.254 174.254 174.871 -0.617 25776 1176 1 2 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.366 0.298 25776 1177 1 2 . 1 1 108 108 PHE CB C 108 41.235 41.235 38.818 2.417 25776 1178 1 2 . 1 1 108 108 PHE H H 108 7.592 7.592 7.882 -0.290 25776 1179 1 2 . 1 1 109 109 GLN N N 109 128.401 128.401 126.383 2.018 25776 1180 1 2 . 1 1 109 109 GLN C C 109 172.298 172.298 174.709 -2.411 25776 1181 1 2 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.095 -0.158 25776 1182 1 2 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.504 -0.524 25776 1183 1 2 . 1 1 109 109 GLN H H 109 9.095 9.095 8.367 0.728 25776 1184 1 2 . 1 1 110 110 PRO C C 110 175.005 175.005 175.730 -0.725 25776 1185 1 2 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.654 -0.430 25776 1186 1 2 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.825 1.304 25776 1187 1 2 . 1 1 111 111 TYR N N 111 115.731 115.731 115.566 0.165 25776 1188 1 2 . 1 1 111 111 TYR C C 111 173.783 173.783 173.063 0.720 25776 1189 1 2 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.417 0.655 25776 1190 1 2 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.481 -1.046 25776 1191 1 2 . 1 1 111 111 TYR H H 111 8.510 8.510 8.288 0.222 25776 1192 1 2 . 1 1 112 112 GLY N N 112 103.737 103.737 107.208 -3.471 25776 1193 1 2 . 1 1 112 112 GLY C C 112 172.014 172.014 172.161 -0.147 25776 1194 1 2 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.291 0.353 25776 1195 1 2 . 1 1 112 112 GLY H H 112 8.149 8.149 8.760 -0.611 25776 1196 1 2 . 1 1 113 113 GLY N N 113 108.372 108.372 107.112 1.260 25776 1197 1 2 . 1 1 113 113 GLY C C 113 171.486 171.486 172.406 -0.920 25776 1198 1 2 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.690 1.150 25776 1199 1 2 . 1 1 113 113 GLY H H 113 9.028 9.028 8.417 0.611 25776 1200 1 2 . 1 1 114 114 LEU N N 114 120.469 120.469 118.705 1.764 25776 1201 1 2 . 1 1 114 114 LEU C C 114 175.878 175.878 175.969 -0.091 25776 1202 1 2 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.819 1.792 25776 1203 1 2 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.481 3.496 25776 1204 1 2 . 1 1 114 114 LEU H H 114 8.741 8.741 7.912 0.829 25776 1205 1 2 . 1 1 115 115 GLY N N 115 111.145 111.145 105.625 5.520 25776 1206 1 2 . 1 1 115 115 GLY C C 115 171.336 171.336 171.666 -0.330 25776 1207 1 2 . 1 1 115 115 GLY CA C 115 47.855 47.855 44.911 2.944 25776 1208 1 2 . 1 1 115 115 GLY H H 115 8.952 8.952 8.390 0.562 25776 1209 1 2 . 1 1 116 116 VAL N N 116 118.641 118.641 118.312 0.329 25776 1210 1 2 . 1 1 116 116 VAL C C 116 172.617 172.617 173.420 -0.803 25776 1211 1 2 . 1 1 116 116 VAL CA C 116 60.716 60.716 60.907 -0.191 25776 1212 1 2 . 1 1 116 116 VAL CB C 116 37.372 37.372 36.236 1.136 25776 1213 1 2 . 1 1 116 116 VAL H H 116 8.844 8.844 8.677 0.167 25776 1214 1 2 . 1 1 117 117 ASN N N 117 123.839 123.839 123.416 0.423 25776 1215 1 2 . 1 1 117 117 ASN C C 117 171.105 171.105 173.414 -2.309 25776 1216 1 2 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.358 0.584 25776 1217 1 2 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.844 2.734 25776 1218 1 2 . 1 1 117 117 ASN H H 117 9.647 9.647 9.081 0.566 25776 1219 1 2 . 1 1 118 118 TYR N N 118 125.160 125.160 126.791 -1.631 25776 1220 1 2 . 1 1 118 118 TYR C C 118 174.349 174.349 174.333 0.016 25776 1221 1 2 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.048 -0.491 25776 1222 1 2 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.804 -0.240 25776 1223 1 2 . 1 1 118 118 TYR H H 118 8.989 8.989 8.236 0.753 25776 1224 1 2 . 1 1 119 119 THR N N 119 124.319 124.319 118.587 5.732 25776 1225 1 2 . 1 1 119 119 THR C C 119 171.231 171.231 173.907 -2.676 25776 1226 1 2 . 1 1 119 119 THR CA C 119 62.951 62.951 61.265 1.686 25776 1227 1 2 . 1 1 119 119 THR CB C 119 72.427 72.427 68.533 3.894 25776 1228 1 2 . 1 1 119 119 THR H H 119 8.806 8.806 8.271 0.535 25776 1229 1 2 . 1 1 120 120 THR N N 120 119.978 119.978 121.159 -1.181 25776 1230 1 2 . 1 1 120 120 THR C C 120 171.174 171.174 173.597 -2.423 25776 1231 1 2 . 1 1 120 120 THR CA C 120 59.197 59.197 60.690 -1.493 25776 1232 1 2 . 1 1 120 120 THR CB C 120 72.088 72.088 72.146 -0.058 25776 1233 1 2 . 1 1 120 120 THR H H 120 7.559 7.559 8.116 -0.557 25776 1234 1 2 . 1 1 121 121 PHE C C 121 175.289 175.289 174.595 0.694 25776 1235 1 2 . 1 1 121 121 PHE CB C 121 44.369 44.369 39.670 4.699 25776 1236 1 2 . 1 1 122 122 PHE N N 122 117.578 117.578 121.612 -4.034 25776 1237 1 2 . 1 1 122 122 PHE C C 122 172.555 172.555 174.496 -1.941 25776 1238 1 2 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.628 -0.744 25776 1239 1 2 . 1 1 122 122 PHE CB C 122 40.231 40.231 43.050 -2.819 25776 1240 1 2 . 1 1 122 122 PHE H H 122 8.541 8.541 8.364 0.177 25776 1241 1 2 . 1 1 123 123 ASP N N 123 116.448 116.448 121.599 -5.151 25776 1242 1 2 . 1 1 123 123 ASP C C 123 175.240 175.240 175.917 -0.677 25776 1243 1 2 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.641 1.193 25776 1244 1 2 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.797 -2.953 25776 1245 1 2 . 1 1 123 123 ASP H H 123 8.940 8.940 8.580 0.360 25776 1246 1 2 . 1 1 124 124 GLU C C 124 177.545 177.545 175.416 2.129 25776 1247 1 2 . 1 1 124 124 GLU CA C 124 59.890 59.890 55.837 4.053 25776 1248 1 2 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.726 -1.268 25776 1249 1 2 . 1 1 125 125 ASP N N 125 126.424 126.424 120.157 6.267 25776 1250 1 2 . 1 1 125 125 ASP C C 125 176.191 176.191 176.599 -0.408 25776 1251 1 2 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.165 -1.154 25776 1252 1 2 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.426 2.123 25776 1253 1 2 . 1 1 125 125 ASP H H 125 9.100 9.100 8.351 0.749 25776 1254 1 2 . 1 1 126 126 LEU N N 126 127.990 127.990 121.465 6.525 25776 1255 1 2 . 1 1 126 126 LEU C C 126 175.808 175.808 176.226 -0.418 25776 1256 1 2 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.050 2.218 25776 1257 1 2 . 1 1 126 126 LEU CB C 126 44.856 44.856 43.468 1.388 25776 1258 1 2 . 1 1 126 126 LEU H H 126 8.570 8.570 7.608 0.962 25776 1259 1 2 . 1 1 127 127 ALA N N 127 124.126 124.126 126.723 -2.597 25776 1260 1 2 . 1 1 127 127 ALA C C 127 179.833 179.833 176.532 3.301 25776 1261 1 2 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.045 0.676 25776 1262 1 2 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.699 0.360 25776 1263 1 2 . 1 1 127 127 ALA H H 127 7.885 7.885 8.387 -0.502 25776 1264 1 2 . 1 1 129 129 ASN C C 129 176.927 176.927 177.301 -0.374 25776 1265 1 2 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.018 -0.545 25776 1266 1 2 . 1 1 130 130 ARG N N 130 117.748 117.748 120.533 -2.785 25776 1267 1 2 . 1 1 130 130 ARG C C 130 179.430 179.430 178.196 1.234 25776 1268 1 2 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.388 -2.545 25776 1269 1 2 . 1 1 130 130 ARG CB C 130 30.326 30.326 29.987 0.339 25776 1270 1 2 . 1 1 130 130 ARG H H 130 7.435 7.435 8.518 -1.083 25776 1271 1 2 . 1 1 131 131 LYS N N 131 122.261 122.261 119.299 2.962 25776 1272 1 2 . 1 1 131 131 LYS C C 131 180.937 180.937 177.673 3.264 25776 1273 1 2 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.452 2.009 25776 1274 1 2 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.122 0.789 25776 1275 1 2 . 1 1 131 131 LYS H H 131 7.945 7.945 8.251 -0.306 25776 1276 1 2 . 1 1 132 132 ALA N N 132 122.083 122.083 120.800 1.283 25776 1277 1 2 . 1 1 132 132 ALA C C 132 178.748 178.748 179.386 -0.638 25776 1278 1 2 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.483 0.886 25776 1279 1 2 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.600 0.529 25776 1280 1 2 . 1 1 132 132 ALA H H 132 7.770 7.770 7.731 0.039 25776 1281 1 2 . 1 1 133 133 GLN N N 133 116.102 116.102 117.420 -1.318 25776 1282 1 2 . 1 1 133 133 GLN C C 133 175.525 175.525 176.825 -1.300 25776 1283 1 2 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.638 1.460 25776 1284 1 2 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.591 0.764 25776 1285 1 2 . 1 1 133 133 GLN H H 133 7.302 7.302 7.907 -0.605 25776 1286 1 2 . 1 1 134 134 GLY N N 134 104.444 104.444 107.867 -3.423 25776 1287 1 2 . 1 1 134 134 GLY C C 134 174.460 174.460 174.073 0.387 25776 1288 1 2 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.451 0.431 25776 1289 1 2 . 1 1 134 134 GLY H H 134 7.596 7.596 8.391 -0.795 25776 1290 1 2 . 1 1 135 135 PHE N N 135 119.775 119.775 118.999 0.776 25776 1291 1 2 . 1 1 135 135 PHE C C 135 174.922 174.922 175.835 -0.913 25776 1292 1 2 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.454 2.440 25776 1293 1 2 . 1 1 135 135 PHE CB C 135 40.291 40.291 42.483 -2.192 25776 1294 1 2 . 1 1 135 135 PHE H H 135 7.737 7.737 7.557 0.180 25776 1295 1 2 . 1 1 136 136 SER N N 136 115.673 115.673 117.918 -2.245 25776 1296 1 2 . 1 1 136 136 SER C C 136 174.415 174.415 174.439 -0.024 25776 1297 1 2 . 1 1 136 136 SER CA C 136 59.679 59.679 59.497 0.182 25776 1298 1 2 . 1 1 136 136 SER CB C 136 66.246 66.246 63.864 2.381 25776 1299 1 2 . 1 1 136 136 SER H H 136 8.862 8.862 8.464 0.398 25776 1300 1 2 . 1 1 137 137 SER N N 137 114.341 114.341 114.049 0.292 25776 1301 1 2 . 1 1 137 137 SER C C 137 172.164 172.164 173.416 -1.252 25776 1302 1 2 . 1 1 137 137 SER CA C 137 58.955 58.955 58.019 0.936 25776 1303 1 2 . 1 1 137 137 SER CB C 137 65.592 65.592 64.235 1.357 25776 1304 1 2 . 1 1 137 137 SER H H 137 7.912 7.912 7.684 0.228 25776 1305 1 2 . 1 1 138 138 MET N N 138 120.555 120.555 121.027 -0.472 25776 1306 1 2 . 1 1 138 138 MET C C 138 173.189 173.189 177.421 -4.232 25776 1307 1 2 . 1 1 138 138 MET CA C 138 55.879 55.879 56.109 -0.230 25776 1308 1 2 . 1 1 138 138 MET CB C 138 36.962 36.962 32.976 3.986 25776 1309 1 2 . 1 1 138 138 MET H H 138 8.461 8.461 8.660 -0.199 25776 1310 1 2 . 1 1 141 141 GLN C C 141 176.182 176.182 176.022 0.160 25776 1311 1 2 . 1 1 141 141 GLN CB C 141 31.435 31.435 27.647 3.788 25776 1312 1 2 . 1 1 142 142 ASP N N 142 124.414 124.414 120.523 3.891 25776 1313 1 2 . 1 1 142 142 ASP C C 142 175.702 175.702 174.855 0.847 25776 1314 1 2 . 1 1 142 142 ASP CA C 142 56.307 56.307 55.051 1.256 25776 1315 1 2 . 1 1 142 142 ASP CB C 142 41.738 41.738 40.090 1.648 25776 1316 1 2 . 1 1 142 142 ASP H H 142 8.728 8.728 8.612 0.116 25776 1317 1 2 . 1 1 143 143 SER N N 143 114.920 114.920 114.709 0.211 25776 1318 1 2 . 1 1 143 143 SER C C 143 172.289 172.289 173.917 -1.628 25776 1319 1 2 . 1 1 143 143 SER CA C 143 57.652 57.652 59.044 -1.392 25776 1320 1 2 . 1 1 143 143 SER CB C 143 66.215 66.215 63.672 2.543 25776 1321 1 2 . 1 1 143 143 SER H H 143 8.703 8.703 8.193 0.510 25776 1322 1 2 . 1 1 144 144 TRP N N 144 126.444 126.444 125.296 1.148 25776 1323 1 2 . 1 1 144 144 TRP C C 144 177.307 177.307 175.071 2.236 25776 1324 1 2 . 1 1 144 144 TRP CA C 144 56.875 56.875 54.839 2.036 25776 1325 1 2 . 1 1 144 144 TRP CB C 144 33.364 33.364 31.483 1.881 25776 1326 1 2 . 1 1 144 144 TRP H H 144 8.101 8.101 7.630 0.471 25776 1327 1 2 . 1 1 145 145 GLY N N 145 108.757 108.757 110.607 -1.850 25776 1328 1 2 . 1 1 145 145 GLY C C 145 171.985 171.985 172.626 -0.641 25776 1329 1 2 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.787 2.761 25776 1330 1 2 . 1 1 145 145 GLY H H 145 8.889 8.889 8.300 0.589 25776 1331 1 2 . 1 1 146 146 LEU N N 146 121.579 121.579 122.678 -1.099 25776 1332 1 2 . 1 1 146 146 LEU C C 146 174.909 174.909 176.571 -1.662 25776 1333 1 2 . 1 1 146 146 LEU CA C 146 56.175 56.175 55.410 0.765 25776 1334 1 2 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.847 1.315 25776 1335 1 2 . 1 1 146 146 LEU H H 146 9.035 9.035 8.742 0.293 25776 1336 1 2 . 1 1 147 147 ALA N N 147 121.342 121.342 117.306 4.036 25776 1337 1 2 . 1 1 147 147 ALA C C 147 175.588 175.588 175.390 0.198 25776 1338 1 2 . 1 1 147 147 ALA CA C 147 50.934 50.934 51.822 -0.888 25776 1339 1 2 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.148 2.957 25776 1340 1 2 . 1 1 147 147 ALA H H 147 8.123 8.123 7.903 0.220 25776 1341 1 2 . 1 1 148 148 GLY N N 148 106.598 106.598 106.276 0.322 25776 1342 1 2 . 1 1 148 148 GLY C C 148 171.829 171.829 172.108 -0.279 25776 1343 1 2 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.332 0.416 25776 1344 1 2 . 1 1 148 148 GLY H H 148 9.216 9.216 8.050 1.166 25776 1345 1 2 . 1 1 149 149 GLU N N 149 122.775 122.775 119.783 2.992 25776 1346 1 2 . 1 1 149 149 GLU C C 149 174.078 174.078 174.533 -0.455 25776 1347 1 2 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.442 0.360 25776 1348 1 2 . 1 1 149 149 GLU CB C 149 38.415 38.415 32.105 6.311 25776 1349 1 2 . 1 1 149 149 GLU H H 149 8.493 8.493 8.152 0.341 25776 1350 1 2 . 1 1 150 150 LEU N N 150 126.310 126.310 124.215 2.095 25776 1351 1 2 . 1 1 150 150 LEU C C 150 174.309 174.309 175.527 -1.218 25776 1352 1 2 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.769 0.173 25776 1353 1 2 . 1 1 150 150 LEU CB C 150 48.491 48.491 46.013 2.478 25776 1354 1 2 . 1 1 150 150 LEU H H 150 8.580 8.580 7.942 0.638 25776 1355 1 2 . 1 1 151 151 GLY N N 151 109.909 109.909 109.095 0.814 25776 1356 1 2 . 1 1 151 151 GLY C C 151 170.538 170.538 170.760 -0.222 25776 1357 1 2 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.590 1.030 25776 1358 1 2 . 1 1 151 151 GLY H H 151 8.115 8.115 8.208 -0.093 25776 1359 1 2 . 1 1 152 152 PHE N N 152 111.012 111.012 116.681 -5.669 25776 1360 1 2 . 1 1 152 152 PHE C C 152 171.455 171.455 174.253 -2.798 25776 1361 1 2 . 1 1 152 152 PHE CA C 152 58.712 58.712 57.133 1.579 25776 1362 1 2 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.946 -0.451 25776 1363 1 2 . 1 1 152 152 PHE H H 152 8.365 8.365 8.850 -0.485 25776 1364 1 2 . 1 1 153 153 ASP N N 153 119.057 119.057 124.084 -5.027 25776 1365 1 2 . 1 1 153 153 ASP C C 153 176.522 176.522 175.057 1.465 25776 1366 1 2 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.731 -0.265 25776 1367 1 2 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.906 1.191 25776 1368 1 2 . 1 1 153 153 ASP H H 153 8.014 8.014 9.480 -1.466 25776 1369 1 2 . 1 1 154 154 TYR N N 154 123.640 123.640 129.518 -5.878 25776 1370 1 2 . 1 1 154 154 TYR C C 154 175.593 175.593 174.789 0.804 25776 1371 1 2 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.838 1.050 25776 1372 1 2 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.543 4.279 25776 1373 1 2 . 1 1 154 154 TYR H H 154 9.744 9.744 8.611 1.133 25776 1374 1 2 . 1 1 155 155 MET N N 155 126.409 126.409 122.239 4.170 25776 1375 1 2 . 1 1 155 155 MET C C 155 174.938 174.938 175.397 -0.459 25776 1376 1 2 . 1 1 155 155 MET CA C 155 55.410 55.410 55.280 0.130 25776 1377 1 2 . 1 1 155 155 MET CB C 155 29.170 29.170 33.257 -4.087 25776 1378 1 2 . 1 1 155 155 MET H H 155 8.659 8.659 8.288 0.371 25776 1379 1 2 . 1 1 156 156 LEU N N 156 125.396 125.396 125.756 -0.360 25776 1380 1 2 . 1 1 156 156 LEU C C 156 177.567 177.567 178.024 -0.457 25776 1381 1 2 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.599 0.974 25776 1382 1 2 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.268 0.644 25776 1383 1 2 . 1 1 156 156 LEU H H 156 9.232 9.232 8.542 0.690 25776 1384 1 2 . 1 1 157 157 ASN N N 157 114.903 114.903 115.276 -0.373 25776 1385 1 2 . 1 1 157 157 ASN C C 157 173.568 173.568 176.037 -2.469 25776 1386 1 2 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.110 -1.918 25776 1387 1 2 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.656 0.255 25776 1388 1 2 . 1 1 157 157 ASN H H 157 8.099 8.099 8.075 0.024 25776 1389 1 2 . 1 1 158 158 GLU N N 158 114.724 114.724 118.294 -3.570 25776 1390 1 2 . 1 1 158 158 GLU C C 158 176.032 176.032 177.451 -1.419 25776 1391 1 2 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.578 2.100 25776 1392 1 2 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.133 0.382 25776 1393 1 2 . 1 1 158 158 GLU H H 158 8.625 8.625 8.668 -0.043 25776 1394 1 2 . 1 1 159 159 HIS N N 159 111.022 111.022 115.563 -4.541 25776 1395 1 2 . 1 1 159 159 HIS C C 159 173.158 173.158 173.512 -0.354 25776 1396 1 2 . 1 1 159 159 HIS CA C 159 57.436 57.436 57.098 0.338 25776 1397 1 2 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.659 1.733 25776 1398 1 2 . 1 1 159 159 HIS H H 159 8.201 8.201 8.194 0.007 25776 1399 1 2 . 1 1 160 160 ALA N N 160 122.967 122.967 120.469 2.498 25776 1400 1 2 . 1 1 160 160 ALA C C 160 176.212 176.212 174.911 1.301 25776 1401 1 2 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.478 0.844 25776 1402 1 2 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.835 1.591 25776 1403 1 2 . 1 1 160 160 ALA H H 160 8.389 8.389 7.540 0.849 25776 1404 1 2 . 1 1 161 161 LEU N N 161 116.648 116.648 114.775 1.873 25776 1405 1 2 . 1 1 161 161 LEU C C 161 174.922 174.922 175.282 -0.360 25776 1406 1 2 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.820 1.065 25776 1407 1 2 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.929 1.566 25776 1408 1 2 . 1 1 161 161 LEU H H 161 8.616 8.616 8.220 0.396 25776 1409 1 2 . 1 1 162 162 PHE N N 162 121.938 121.938 119.323 2.615 25776 1410 1 2 . 1 1 162 162 PHE C C 162 171.989 171.989 174.393 -2.404 25776 1411 1 2 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.057 -0.039 25776 1412 1 2 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.123 0.966 25776 1413 1 2 . 1 1 162 162 PHE H H 162 9.221 9.221 8.763 0.458 25776 1414 1 2 . 1 1 163 163 ASN N N 163 127.932 127.932 124.656 3.276 25776 1415 1 2 . 1 1 163 163 ASN C C 163 171.357 171.357 173.583 -2.226 25776 1416 1 2 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.799 0.150 25776 1417 1 2 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.515 5.525 25776 1418 1 2 . 1 1 163 163 ASN H H 163 7.735 7.735 8.662 -0.927 25776 1419 1 2 . 1 1 164 164 MET N N 164 120.121 120.121 126.683 -6.562 25776 1420 1 2 . 1 1 164 164 MET C C 164 172.837 172.837 173.537 -0.700 25776 1421 1 2 . 1 1 164 164 MET CA C 164 55.914 55.914 55.128 0.786 25776 1422 1 2 . 1 1 164 164 MET CB C 164 38.643 38.643 35.950 2.693 25776 1423 1 2 . 1 1 164 164 MET H H 164 7.092 7.092 8.431 -1.339 25776 1424 1 2 . 1 1 165 165 ALA N N 165 120.745 120.745 127.556 -6.811 25776 1425 1 2 . 1 1 165 165 ALA C C 165 174.047 174.047 174.556 -0.509 25776 1426 1 2 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.130 1.284 25776 1427 1 2 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.971 0.171 25776 1428 1 2 . 1 1 165 165 ALA H H 165 8.370 8.370 8.601 -0.231 25776 1429 1 2 . 1 1 166 166 VAL N N 166 118.385 118.385 114.423 3.962 25776 1430 1 2 . 1 1 166 166 VAL C C 166 172.556 172.556 174.639 -2.083 25776 1431 1 2 . 1 1 166 166 VAL CA C 166 60.628 60.628 61.271 -0.643 25776 1432 1 2 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.572 3.555 25776 1433 1 2 . 1 1 166 166 VAL H H 166 8.723 8.723 8.600 0.123 25776 1434 1 2 . 1 1 167 167 TRP N N 167 123.258 123.258 128.950 -5.692 25776 1435 1 2 . 1 1 167 167 TRP C C 167 174.016 174.016 175.464 -1.448 25776 1436 1 2 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.147 1.457 25776 1437 1 2 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.889 3.770 25776 1438 1 2 . 1 1 167 167 TRP H H 167 9.312 9.312 8.274 1.038 25776 1439 1 2 . 1 1 168 168 TYR N N 168 121.455 121.455 127.332 -5.877 25776 1440 1 2 . 1 1 168 168 TYR C C 168 175.110 175.110 176.781 -1.671 25776 1441 1 2 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.682 -1.496 25776 1442 1 2 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.347 3.093 25776 1443 1 2 . 1 1 168 168 TYR H H 168 8.398 8.398 8.579 -0.181 25776 1444 1 2 . 1 1 169 169 MET N N 169 124.800 124.800 123.760 1.040 25776 1445 1 2 . 1 1 169 169 MET C C 169 172.688 172.688 176.524 -3.836 25776 1446 1 2 . 1 1 169 169 MET CA C 169 55.640 55.640 54.832 0.808 25776 1447 1 2 . 1 1 169 169 MET CB C 169 34.143 34.143 33.134 1.009 25776 1448 1 2 . 1 1 169 169 MET H H 169 8.131 8.131 8.705 -0.574 25776 1449 1 2 . 1 1 170 170 ASP N N 170 122.780 122.780 118.245 4.535 25776 1450 1 2 . 1 1 170 170 ASP C C 170 174.864 174.864 176.233 -1.369 25776 1451 1 2 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.224 1.659 25776 1452 1 2 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.730 -0.052 25776 1453 1 2 . 1 1 170 170 ASP H H 170 8.191 8.191 8.395 -0.204 25776 1454 1 2 . 1 1 171 171 ILE N N 171 127.252 127.252 119.600 7.652 25776 1455 1 2 . 1 1 171 171 ILE C C 171 174.476 174.476 174.963 -0.487 25776 1456 1 2 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.472 0.471 25776 1457 1 2 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.498 1.024 25776 1458 1 2 . 1 1 171 171 ILE H H 171 7.805 7.805 8.313 -0.508 25776 1459 1 2 . 1 1 172 172 ASP N N 172 129.369 129.369 129.383 -0.014 25776 1460 1 2 . 1 1 172 172 ASP C C 172 174.520 174.520 176.126 -1.606 25776 1461 1 2 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.786 0.015 25776 1462 1 2 . 1 1 172 172 ASP CB C 172 43.089 43.089 42.440 0.649 25776 1463 1 2 . 1 1 172 172 ASP H H 172 8.541 8.541 8.590 -0.049 25776 1464 1 2 . 1 1 173 173 THR N N 173 118.920 118.920 115.312 3.608 25776 1465 1 2 . 1 1 173 173 THR C C 173 172.170 172.170 174.299 -2.129 25776 1466 1 2 . 1 1 173 173 THR CA C 173 60.936 60.936 61.428 -0.492 25776 1467 1 2 . 1 1 173 173 THR CB C 173 70.002 70.002 69.900 0.102 25776 1468 1 2 . 1 1 173 173 THR H H 173 8.814 8.814 8.388 0.426 25776 1469 1 2 . 1 1 176 176 SER C C 176 174.672 174.672 173.818 0.854 25776 1470 1 2 . 1 1 176 176 SER CA C 176 58.834 58.834 58.186 0.648 25776 1471 1 2 . 1 1 176 176 SER CB C 176 64.984 64.984 63.385 1.599 25776 1472 1 2 . 1 1 177 177 ILE N N 177 121.645 121.645 119.409 2.236 25776 1473 1 2 . 1 1 177 177 ILE C C 177 174.945 174.945 175.384 -0.439 25776 1474 1 2 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.902 1.444 25776 1475 1 2 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.639 1.500 25776 1476 1 2 . 1 1 177 177 ILE H H 177 7.993 7.993 7.929 0.064 25776 1477 1 2 . 1 1 178 178 ASN N N 178 127.223 127.223 121.798 5.425 25776 1478 1 2 . 1 1 178 178 ASN C C 178 179.120 179.120 175.347 3.773 25776 1479 1 2 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.130 2.533 25776 1480 1 2 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.382 2.537 25776 1481 1 2 . 1 1 178 178 ASN H H 178 7.882 7.882 8.552 -0.670 25776 1482 1 2 . 1 1 182 182 ALA N N 182 124.095 124.095 123.539 0.556 25776 1483 1 2 . 1 1 182 182 ALA C C 182 177.680 177.680 175.960 1.720 25776 1484 1 2 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.615 2.601 25776 1485 1 2 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.346 -0.577 25776 1486 1 2 . 1 1 182 182 ALA H H 182 8.100 8.100 7.917 0.183 25776 1487 1 2 . 1 1 183 183 LEU N N 183 118.394 118.394 120.393 -1.999 25776 1488 1 2 . 1 1 183 183 LEU C C 183 177.352 177.352 176.251 1.101 25776 1489 1 2 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.747 1.080 25776 1490 1 2 . 1 1 183 183 LEU CB C 183 43.184 43.184 44.469 -1.285 25776 1491 1 2 . 1 1 183 183 LEU H H 183 7.854 7.854 8.406 -0.552 25776 1492 1 2 . 1 1 184 184 GLY N N 184 107.897 107.897 108.761 -0.864 25776 1493 1 2 . 1 1 184 184 GLY C C 184 174.288 174.288 173.378 0.910 25776 1494 1 2 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.269 2.407 25776 1495 1 2 . 1 1 184 184 GLY H H 184 7.883 7.883 8.381 -0.498 25776 1496 1 2 . 1 1 185 185 VAL N N 185 118.254 118.254 120.891 -2.637 25776 1497 1 2 . 1 1 185 185 VAL C C 185 175.475 175.475 176.610 -1.135 25776 1498 1 2 . 1 1 185 185 VAL CA C 185 63.048 63.048 63.893 -0.845 25776 1499 1 2 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.446 1.025 25776 1500 1 2 . 1 1 185 185 VAL H H 185 7.676 7.676 8.665 -0.989 25776 1501 1 2 . 1 1 186 186 ASN N N 186 121.756 121.756 116.399 5.357 25776 1502 1 2 . 1 1 186 186 ASN C C 186 174.724 174.724 174.189 0.535 25776 1503 1 2 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.534 1.059 25776 1504 1 2 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.151 0.747 25776 1505 1 2 . 1 1 186 186 ASN H H 186 8.331 8.331 8.214 0.117 25776 1506 1 2 . 1 1 187 187 LYS N N 187 120.959 120.959 121.530 -0.571 25776 1507 1 2 . 1 1 187 187 LYS C C 187 174.652 174.652 176.007 -1.355 25776 1508 1 2 . 1 1 187 187 LYS CA C 187 57.198 57.198 55.911 1.287 25776 1509 1 2 . 1 1 187 187 LYS CB C 187 34.043 34.043 32.026 2.017 25776 1510 1 2 . 1 1 187 187 LYS H H 187 8.031 8.031 8.019 0.012 25776 1511 1 2 . 1 1 189 189 LYS C C 189 176.088 176.088 175.345 0.743 25776 1512 1 2 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.761 0.681 25776 1513 1 2 . 1 1 190 190 VAL N N 190 121.122 121.122 119.970 1.152 25776 1514 1 2 . 1 1 190 190 VAL C C 190 175.545 175.545 174.484 1.061 25776 1515 1 2 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.448 1.673 25776 1516 1 2 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.261 1.687 25776 1517 1 2 . 1 1 190 190 VAL H H 190 8.067 8.067 8.282 -0.215 25776 1518 1 2 . 1 1 191 191 ASP N N 191 124.022 124.022 126.868 -2.846 25776 1519 1 2 . 1 1 191 191 ASP C C 191 175.710 175.710 176.571 -0.861 25776 1520 1 2 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.798 1.471 25776 1521 1 2 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.725 0.253 25776 1522 1 2 . 1 1 191 191 ASP H H 191 8.282 8.282 8.586 -0.304 25776 1523 1 2 . 1 1 192 192 VAL N N 192 118.928 118.928 121.174 -2.246 25776 1524 1 2 . 1 1 192 192 VAL C C 192 175.433 175.433 176.285 -0.852 25776 1525 1 2 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.401 -0.581 25776 1526 1 2 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.882 1.223 25776 1527 1 2 . 1 1 192 192 VAL H H 192 7.877 7.877 8.614 -0.737 25776 1528 1 2 . 1 1 193 193 ASP N N 193 124.364 124.364 116.458 7.906 25776 1529 1 2 . 1 1 193 193 ASP C C 193 176.118 176.118 175.467 0.651 25776 1530 1 2 . 1 1 193 193 ASP CA C 193 55.211 55.211 53.946 1.265 25776 1531 1 2 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.298 0.735 25776 1532 1 2 . 1 1 193 193 ASP H H 193 8.335 8.335 8.161 0.174 25776 1533 1 2 . 1 1 198 198 VAL N N 198 126.400 126.400 124.975 1.425 25776 1534 1 2 . 1 1 198 198 VAL C C 198 174.600 174.600 174.659 -0.059 25776 1535 1 2 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.863 -1.423 25776 1536 1 2 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.038 3.062 25776 1537 1 2 . 1 1 198 198 VAL H H 198 8.474 8.474 8.023 0.451 25776 1538 1 2 . 1 1 199 199 TYR N N 199 123.900 123.900 123.304 0.596 25776 1539 1 2 . 1 1 199 199 TYR C C 199 173.600 173.600 174.152 -0.552 25776 1540 1 2 . 1 1 199 199 TYR CA C 199 55.510 55.510 56.347 -0.838 25776 1541 1 2 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.899 -0.269 25776 1542 1 2 . 1 1 199 199 TYR H H 199 8.748 8.748 7.930 0.818 25776 1543 1 2 . 1 1 200 200 MET N N 200 123.700 123.700 121.319 2.381 25776 1544 1 2 . 1 1 200 200 MET CA C 200 49.420 49.420 54.369 -4.949 25776 1545 1 2 . 1 1 200 200 MET H H 200 9.057 9.057 8.358 0.699 25776 1546 1 2 . 1 1 201 201 ILE C C 201 174.016 174.016 175.604 -1.588 25776 1547 1 2 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.789 0.685 25776 1548 1 2 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.456 1.979 25776 1549 1 2 . 1 1 202 202 GLY N N 202 113.215 113.215 111.486 1.729 25776 1550 1 2 . 1 1 202 202 GLY C C 202 170.124 170.124 172.189 -2.065 25776 1551 1 2 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.187 3.373 25776 1552 1 2 . 1 1 202 202 GLY H H 202 8.646 8.646 9.062 -0.416 25776 1553 1 2 . 1 1 203 203 PHE N N 203 116.782 116.782 114.611 2.171 25776 1554 1 2 . 1 1 203 203 PHE C C 203 174.063 174.063 173.170 0.893 25776 1555 1 2 . 1 1 203 203 PHE CA C 203 56.451 56.451 55.945 0.506 25776 1556 1 2 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.299 4.400 25776 1557 1 2 . 1 1 203 203 PHE H H 203 8.482 8.482 7.979 0.503 25776 1558 1 2 . 1 1 204 204 GLY N N 204 105.936 105.936 106.727 -0.791 25776 1559 1 2 . 1 1 204 204 GLY C C 204 171.097 171.097 171.646 -0.549 25776 1560 1 2 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.605 2.869 25776 1561 1 2 . 1 1 204 204 GLY H H 204 9.003 9.003 7.817 1.186 25776 1562 1 2 . 1 1 205 205 TYR N N 205 121.196 121.196 117.286 3.910 25776 1563 1 2 . 1 1 205 205 TYR C C 205 172.994 172.994 174.311 -1.317 25776 1564 1 2 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.533 1.153 25776 1565 1 2 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.898 2.292 25776 1566 1 2 . 1 1 205 205 TYR H H 205 9.413 9.413 8.153 1.260 25776 1567 1 2 . 1 1 206 206 LYS N N 206 126.788 126.788 121.649 5.139 25776 1568 1 2 . 1 1 206 206 LYS C C 206 174.161 174.161 175.225 -1.064 25776 1569 1 2 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.818 -0.388 25776 1570 1 2 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.389 1.036 25776 1571 1 2 . 1 1 206 206 LYS H H 206 8.364 8.364 8.508 -0.144 25776 1572 1 2 . 1 1 207 207 PHE N N 207 126.168 126.168 124.651 1.517 25776 1573 1 2 . 1 1 207 207 PHE C C 207 175.094 175.094 174.431 0.663 25776 1574 1 2 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.129 1.561 25776 1575 1 2 . 1 1 207 207 PHE CB C 207 41.663 41.663 42.612 -0.949 25776 1576 1 2 . 1 1 207 207 PHE H H 207 9.308 9.308 8.219 1.089 25776 1577 1 2 . 1 1 208 208 LEU N N 208 123.199 123.199 118.413 4.786 25776 1578 1 2 . 1 1 208 208 LEU C C 208 176.580 176.580 176.640 -0.060 25776 1579 1 2 . 1 1 208 208 LEU CA C 208 55.471 55.471 53.882 1.589 25776 1580 1 2 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.710 1.003 25776 1581 1 2 . 1 1 208 208 LEU H H 208 8.376 8.376 8.362 0.014 25776 1582 1 2 . 1 1 209 209 GLU N N 209 121.960 121.960 119.666 2.294 25776 1583 1 2 . 1 1 209 209 GLU C C 209 176.226 176.226 174.860 1.366 25776 1584 1 2 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.428 1.304 25776 1585 1 2 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.049 0.404 25776 1586 1 2 . 1 1 209 209 GLU H H 209 8.500 8.500 9.099 -0.599 25776 1587 1 3 . 1 1 2 2 HIS C C 2 175.393 175.393 174.346 1.047 25776 1588 1 3 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.645 -1.841 25776 1589 1 3 . 1 1 2 2 HIS CB C 2 30.780 30.780 30.181 0.599 25776 1590 1 3 . 1 1 3 3 LYS N N 3 121.908 121.908 121.153 0.755 25776 1591 1 3 . 1 1 3 3 LYS C C 3 173.475 173.475 174.638 -1.163 25776 1592 1 3 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.257 -0.230 25776 1593 1 3 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.721 -0.521 25776 1594 1 3 . 1 1 3 3 LYS H H 3 8.608 8.608 8.093 0.515 25776 1595 1 3 . 1 1 4 4 ALA N N 4 120.771 120.771 121.500 -0.729 25776 1596 1 3 . 1 1 4 4 ALA C C 4 178.118 178.118 177.804 0.314 25776 1597 1 3 . 1 1 4 4 ALA CA C 4 53.439 53.439 51.979 1.460 25776 1598 1 3 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.693 -0.644 25776 1599 1 3 . 1 1 4 4 ALA H H 4 8.581 8.581 8.187 0.394 25776 1600 1 3 . 1 1 5 5 GLY N N 5 112.807 112.807 111.334 1.473 25776 1601 1 3 . 1 1 5 5 GLY C C 5 173.788 173.788 174.010 -0.222 25776 1602 1 3 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.596 0.224 25776 1603 1 3 . 1 1 5 5 GLY H H 5 9.170 9.170 8.841 0.329 25776 1604 1 3 . 1 1 6 6 ASP N N 6 121.504 121.504 120.529 0.975 25776 1605 1 3 . 1 1 6 6 ASP C C 6 174.307 174.307 174.351 -0.044 25776 1606 1 3 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.054 0.764 25776 1607 1 3 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.725 -0.150 25776 1608 1 3 . 1 1 6 6 ASP H H 6 7.619 7.619 7.439 0.180 25776 1609 1 3 . 1 1 7 7 PHE N N 7 121.212 121.212 119.299 1.913 25776 1610 1 3 . 1 1 7 7 PHE C C 7 174.030 174.030 175.019 -0.989 25776 1611 1 3 . 1 1 7 7 PHE CA C 7 56.601 56.601 56.795 -0.194 25776 1612 1 3 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.700 2.376 25776 1613 1 3 . 1 1 7 7 PHE H H 7 8.285 8.285 8.713 -0.428 25776 1614 1 3 . 1 1 8 8 ILE N N 8 128.185 128.185 123.056 5.129 25776 1615 1 3 . 1 1 8 8 ILE C C 8 173.961 173.961 174.524 -0.563 25776 1616 1 3 . 1 1 8 8 ILE CA C 8 61.723 61.723 60.122 1.601 25776 1617 1 3 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.094 2.575 25776 1618 1 3 . 1 1 8 8 ILE H H 8 9.245 9.245 9.040 0.205 25776 1619 1 3 . 1 1 9 9 ILE N N 9 125.624 125.624 127.862 -2.238 25776 1620 1 3 . 1 1 9 9 ILE C C 9 173.731 173.731 175.290 -1.559 25776 1621 1 3 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.693 -0.403 25776 1622 1 3 . 1 1 9 9 ILE CB C 9 42.091 42.091 37.729 4.362 25776 1623 1 3 . 1 1 9 9 ILE H H 9 8.628 8.628 8.141 0.487 25776 1624 1 3 . 1 1 10 10 ARG N N 10 125.025 125.025 127.412 -2.387 25776 1625 1 3 . 1 1 10 10 ARG C C 10 175.074 175.074 175.487 -0.413 25776 1626 1 3 . 1 1 10 10 ARG CA C 10 54.494 54.494 55.469 -0.975 25776 1627 1 3 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.265 -0.493 25776 1628 1 3 . 1 1 10 10 ARG H H 10 9.225 9.225 8.232 0.993 25776 1629 1 3 . 1 1 11 11 GLY N N 11 106.141 106.141 106.184 -0.043 25776 1630 1 3 . 1 1 11 11 GLY C C 11 171.959 171.959 171.670 0.289 25776 1631 1 3 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.471 1.736 25776 1632 1 3 . 1 1 11 11 GLY H H 11 8.885 8.885 8.495 0.391 25776 1633 1 3 . 1 1 12 12 GLY N N 12 107.818 107.818 104.495 3.323 25776 1634 1 3 . 1 1 12 12 GLY C C 12 171.465 171.465 171.969 -0.504 25776 1635 1 3 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.260 2.053 25776 1636 1 3 . 1 1 12 12 GLY H H 12 8.433 8.433 7.104 1.329 25776 1637 1 3 . 1 1 13 13 PHE N N 13 120.233 120.233 121.170 -0.937 25776 1638 1 3 . 1 1 13 13 PHE C C 13 174.056 174.056 175.154 -1.098 25776 1639 1 3 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.299 -0.148 25776 1640 1 3 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.391 0.234 25776 1641 1 3 . 1 1 13 13 PHE H H 13 8.606 8.606 8.249 0.357 25776 1642 1 3 . 1 1 18 18 PRO C C 18 176.552 176.552 176.564 -0.012 25776 1643 1 3 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.823 1.268 25776 1644 1 3 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.681 0.968 25776 1645 1 3 . 1 1 19 19 ASP N N 19 121.094 121.094 120.447 0.647 25776 1646 1 3 . 1 1 19 19 ASP C C 19 176.047 176.047 177.313 -1.266 25776 1647 1 3 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.572 -0.298 25776 1648 1 3 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.334 0.709 25776 1649 1 3 . 1 1 19 19 ASP H H 19 8.372 8.372 8.511 -0.139 25776 1650 1 3 . 1 1 20 20 ASP N N 20 123.179 123.179 119.117 4.062 25776 1651 1 3 . 1 1 20 20 ASP C C 20 176.790 176.790 176.214 0.576 25776 1652 1 3 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.287 -0.192 25776 1653 1 3 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.216 0.618 25776 1654 1 3 . 1 1 20 20 ASP H H 20 8.357 8.357 8.405 -0.048 25776 1655 1 3 . 1 1 21 21 SER N N 21 117.319 117.319 113.797 3.522 25776 1656 1 3 . 1 1 21 21 SER C C 21 175.218 175.218 173.684 1.534 25776 1657 1 3 . 1 1 21 21 SER CA C 21 60.134 60.134 57.394 2.740 25776 1658 1 3 . 1 1 21 21 SER CB C 21 64.701 64.701 65.771 -1.070 25776 1659 1 3 . 1 1 21 21 SER H H 21 8.398 8.398 7.762 0.636 25776 1660 1 3 . 1 1 22 22 SER N N 22 117.994 117.994 117.947 0.047 25776 1661 1 3 . 1 1 22 22 SER C C 22 174.877 174.877 173.747 1.130 25776 1662 1 3 . 1 1 22 22 SER CA C 22 59.839 59.839 58.440 1.399 25776 1663 1 3 . 1 1 22 22 SER CB C 22 64.669 64.669 63.625 1.044 25776 1664 1 3 . 1 1 22 22 SER H H 22 8.314 8.314 8.419 -0.105 25776 1665 1 3 . 1 1 23 23 SER N N 23 117.809 117.809 120.869 -3.060 25776 1666 1 3 . 1 1 23 23 SER C C 23 174.298 174.298 172.547 1.751 25776 1667 1 3 . 1 1 23 23 SER CA C 23 59.629 59.629 57.859 1.770 25776 1668 1 3 . 1 1 23 23 SER CB C 23 64.802 64.802 65.979 -1.177 25776 1669 1 3 . 1 1 23 23 SER H H 23 8.143 8.143 8.372 -0.229 25776 1670 1 3 . 1 1 24 24 ASP N N 24 122.829 122.829 120.912 1.917 25776 1671 1 3 . 1 1 24 24 ASP C C 24 176.250 176.250 176.086 0.164 25776 1672 1 3 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.489 2.004 25776 1673 1 3 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.450 -0.609 25776 1674 1 3 . 1 1 24 24 ASP H H 24 8.234 8.234 8.511 -0.277 25776 1675 1 3 . 1 1 25 25 ILE N N 25 120.717 120.717 115.725 4.992 25776 1676 1 3 . 1 1 25 25 ILE C C 25 176.204 176.204 175.444 0.760 25776 1677 1 3 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.781 0.776 25776 1678 1 3 . 1 1 25 25 ILE CB C 25 39.668 39.668 39.078 0.590 25776 1679 1 3 . 1 1 25 25 ILE H H 25 7.884 7.884 8.211 -0.327 25776 1680 1 3 . 1 1 26 26 LYS N N 26 124.527 124.527 122.749 1.778 25776 1681 1 3 . 1 1 26 26 LYS C C 26 176.616 176.616 176.296 0.320 25776 1682 1 3 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.659 1.533 25776 1683 1 3 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.116 0.693 25776 1684 1 3 . 1 1 26 26 LYS H H 26 8.164 8.164 7.805 0.359 25776 1685 1 3 . 1 1 27 27 LEU N N 27 123.292 123.292 125.002 -1.710 25776 1686 1 3 . 1 1 27 27 LEU C C 27 177.077 177.077 175.141 1.936 25776 1687 1 3 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.783 1.390 25776 1688 1 3 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.726 0.591 25776 1689 1 3 . 1 1 27 27 LEU H H 27 8.100 8.100 8.502 -0.402 25776 1690 1 3 . 1 1 28 28 ASP N N 28 121.059 121.059 122.453 -1.394 25776 1691 1 3 . 1 1 28 28 ASP C C 28 176.929 176.929 176.192 0.737 25776 1692 1 3 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.617 0.731 25776 1693 1 3 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.546 0.529 25776 1694 1 3 . 1 1 28 28 ASP H H 28 8.209 8.209 8.232 -0.023 25776 1695 1 3 . 1 1 29 29 GLY N N 29 110.032 110.032 108.710 1.322 25776 1696 1 3 . 1 1 29 29 GLY C C 29 174.364 174.364 173.945 0.419 25776 1697 1 3 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.069 1.809 25776 1698 1 3 . 1 1 29 29 GLY H H 29 8.274 8.274 8.362 -0.088 25776 1699 1 3 . 1 1 30 30 ALA N N 30 124.102 124.102 125.128 -1.026 25776 1700 1 3 . 1 1 30 30 ALA C C 30 178.005 178.005 175.747 2.258 25776 1701 1 3 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.456 1.367 25776 1702 1 3 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.118 0.009 25776 1703 1 3 . 1 1 30 30 ALA H H 30 8.085 8.085 8.015 0.070 25776 1704 1 3 . 1 1 31 31 LYS N N 31 119.810 119.810 121.924 -2.114 25776 1705 1 3 . 1 1 31 31 LYS C C 31 176.650 176.650 176.124 0.526 25776 1706 1 3 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.499 0.973 25776 1707 1 3 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.581 1.367 25776 1708 1 3 . 1 1 31 31 LYS H H 31 8.075 8.075 8.362 -0.287 25776 1709 1 3 . 1 1 32 32 GLN N N 32 121.045 121.045 117.942 3.103 25776 1710 1 3 . 1 1 32 32 GLN C C 32 175.862 175.862 175.503 0.359 25776 1711 1 3 . 1 1 32 32 GLN CA C 32 56.939 56.939 56.291 0.648 25776 1712 1 3 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.434 0.760 25776 1713 1 3 . 1 1 32 32 GLN H H 32 8.182 8.182 8.292 -0.110 25776 1714 1 3 . 1 1 33 33 ARG N N 33 122.683 122.683 121.638 1.045 25776 1715 1 3 . 1 1 33 33 ARG C C 33 176.492 176.492 176.603 -0.111 25776 1716 1 3 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.586 0.496 25776 1717 1 3 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.961 0.991 25776 1718 1 3 . 1 1 33 33 ARG H H 33 8.288 8.288 8.182 0.106 25776 1719 1 3 . 1 1 36 36 LYS C C 36 176.028 176.028 174.266 1.762 25776 1720 1 3 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.180 1.043 25776 1721 1 3 . 1 1 36 36 LYS CB C 36 34.262 34.262 34.453 -0.191 25776 1722 1 3 . 1 1 37 37 ALA N N 37 125.793 125.793 125.887 -0.094 25776 1723 1 3 . 1 1 37 37 ALA C C 37 177.567 177.567 176.355 1.212 25776 1724 1 3 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.166 2.402 25776 1725 1 3 . 1 1 37 37 ALA CB C 37 20.408 20.408 21.517 -1.109 25776 1726 1 3 . 1 1 37 37 ALA H H 37 8.329 8.329 7.952 0.378 25776 1727 1 3 . 1 1 38 38 THR N N 38 113.398 113.398 114.350 -0.952 25776 1728 1 3 . 1 1 38 38 THR C C 38 174.556 174.556 174.300 0.256 25776 1729 1 3 . 1 1 38 38 THR CA C 38 62.551 62.551 61.926 0.625 25776 1730 1 3 . 1 1 38 38 THR CB C 38 71.054 71.054 69.282 1.772 25776 1731 1 3 . 1 1 38 38 THR H H 38 8.007 8.007 8.209 -0.202 25776 1732 1 3 . 1 1 39 39 VAL N N 39 120.865 120.865 120.682 0.183 25776 1733 1 3 . 1 1 39 39 VAL C C 39 175.523 175.523 175.568 -0.045 25776 1734 1 3 . 1 1 39 39 VAL CA C 39 63.100 63.100 61.864 1.236 25776 1735 1 3 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.519 1.525 25776 1736 1 3 . 1 1 39 39 VAL H H 39 8.043 8.043 8.070 -0.027 25776 1737 1 3 . 1 1 40 40 ASP N N 40 124.053 124.053 122.217 1.836 25776 1738 1 3 . 1 1 40 40 ASP C C 40 176.132 176.132 176.357 -0.225 25776 1739 1 3 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.150 1.131 25776 1740 1 3 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.472 0.747 25776 1741 1 3 . 1 1 40 40 ASP H H 40 8.333 8.333 8.201 0.132 25776 1742 1 3 . 1 1 41 41 SER N N 41 115.655 115.655 116.210 -0.555 25776 1743 1 3 . 1 1 41 41 SER C C 41 174.147 174.147 173.470 0.677 25776 1744 1 3 . 1 1 41 41 SER CA C 41 59.367 59.367 58.039 1.328 25776 1745 1 3 . 1 1 41 41 SER CB C 41 65.027 65.027 62.640 2.387 25776 1746 1 3 . 1 1 41 41 SER H H 41 8.142 8.142 8.497 -0.355 25776 1747 1 3 . 1 1 42 42 ASP N N 42 123.005 123.005 126.140 -3.135 25776 1748 1 3 . 1 1 42 42 ASP C C 42 176.578 176.578 174.913 1.665 25776 1749 1 3 . 1 1 42 42 ASP CA C 42 55.439 55.439 55.216 0.223 25776 1750 1 3 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.789 0.615 25776 1751 1 3 . 1 1 42 42 ASP H H 42 8.433 8.433 8.646 -0.213 25776 1752 1 3 . 1 1 43 43 THR C C 43 176.244 176.244 174.079 2.165 25776 1753 1 3 . 1 1 43 43 THR CA C 43 62.772 62.772 61.924 0.848 25776 1754 1 3 . 1 1 43 43 THR CB C 43 71.018 71.018 69.422 1.596 25776 1755 1 3 . 1 1 44 44 GLN N N 44 123.824 123.824 121.930 1.894 25776 1756 1 3 . 1 1 44 44 GLN C C 44 177.061 177.061 174.768 2.293 25776 1757 1 3 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.413 1.866 25776 1758 1 3 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.095 3.567 25776 1759 1 3 . 1 1 44 44 GLN H H 44 8.270 8.270 7.875 0.395 25776 1760 1 3 . 1 1 45 45 LEU N N 45 122.159 122.159 120.810 1.349 25776 1761 1 3 . 1 1 45 45 LEU C C 45 176.419 176.419 176.901 -0.482 25776 1762 1 3 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.326 2.792 25776 1763 1 3 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.871 -1.250 25776 1764 1 3 . 1 1 45 45 LEU H H 45 7.940 7.940 8.372 -0.432 25776 1765 1 3 . 1 1 46 46 GLY N N 46 107.861 107.861 107.072 0.789 25776 1766 1 3 . 1 1 46 46 GLY C C 46 171.538 171.538 172.401 -0.863 25776 1767 1 3 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.901 -0.126 25776 1768 1 3 . 1 1 46 46 GLY H H 46 8.566 8.566 8.070 0.496 25776 1769 1 3 . 1 1 47 47 LEU N N 47 122.959 122.959 124.184 -1.225 25776 1770 1 3 . 1 1 47 47 LEU C C 47 175.422 175.422 175.087 0.335 25776 1771 1 3 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.761 0.570 25776 1772 1 3 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.578 1.765 25776 1773 1 3 . 1 1 47 47 LEU H H 47 8.457 8.457 7.836 0.621 25776 1774 1 3 . 1 1 48 48 THR N N 48 112.144 112.144 114.301 -2.157 25776 1775 1 3 . 1 1 48 48 THR C C 48 172.347 172.347 173.137 -0.790 25776 1776 1 3 . 1 1 48 48 THR CA C 48 59.573 59.573 59.647 -0.074 25776 1777 1 3 . 1 1 48 48 THR CB C 48 72.843 72.843 72.075 0.768 25776 1778 1 3 . 1 1 48 48 THR H H 48 8.814 8.814 9.109 -0.295 25776 1779 1 3 . 1 1 49 49 PHE N N 49 118.787 118.787 122.203 -3.416 25776 1780 1 3 . 1 1 49 49 PHE C C 49 174.623 174.623 174.906 -0.283 25776 1781 1 3 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.821 -1.084 25776 1782 1 3 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.522 0.464 25776 1783 1 3 . 1 1 49 49 PHE H H 49 8.455 8.455 8.299 0.156 25776 1784 1 3 . 1 1 50 50 THR N N 50 121.279 121.279 122.966 -1.687 25776 1785 1 3 . 1 1 50 50 THR C C 50 173.272 173.272 173.529 -0.257 25776 1786 1 3 . 1 1 50 50 THR CA C 50 63.315 63.315 60.097 3.218 25776 1787 1 3 . 1 1 50 50 THR CB C 50 74.327 74.327 69.364 4.963 25776 1788 1 3 . 1 1 50 50 THR H H 50 9.372 9.372 8.979 0.393 25776 1789 1 3 . 1 1 51 51 TYR N N 51 126.005 126.005 126.609 -0.604 25776 1790 1 3 . 1 1 51 51 TYR C C 51 174.837 174.837 176.354 -1.517 25776 1791 1 3 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.463 0.397 25776 1792 1 3 . 1 1 51 51 TYR CB C 51 42.447 42.447 38.176 4.271 25776 1793 1 3 . 1 1 51 51 TYR H H 51 9.157 9.157 8.399 0.758 25776 1794 1 3 . 1 1 52 52 MET N N 52 127.601 127.601 123.637 3.964 25776 1795 1 3 . 1 1 52 52 MET C C 52 174.466 174.466 175.149 -0.683 25776 1796 1 3 . 1 1 52 52 MET CA C 52 53.171 53.171 56.870 -3.699 25776 1797 1 3 . 1 1 52 52 MET CB C 52 29.467 29.467 33.218 -3.751 25776 1798 1 3 . 1 1 52 52 MET H H 52 7.998 7.998 8.254 -0.256 25776 1799 1 3 . 1 1 53 53 PHE N N 53 123.918 123.918 125.140 -1.222 25776 1800 1 3 . 1 1 53 53 PHE C C 53 173.685 173.685 175.302 -1.617 25776 1801 1 3 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.407 1.207 25776 1802 1 3 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.215 -2.104 25776 1803 1 3 . 1 1 53 53 PHE H H 53 7.762 7.762 7.758 0.004 25776 1804 1 3 . 1 1 54 54 ALA N N 54 125.892 125.892 122.748 3.144 25776 1805 1 3 . 1 1 54 54 ALA C C 54 174.976 174.976 177.992 -3.016 25776 1806 1 3 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.560 -2.117 25776 1807 1 3 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.759 4.775 25776 1808 1 3 . 1 1 54 54 ALA H H 54 8.396 8.396 8.449 -0.053 25776 1809 1 3 . 1 1 55 55 ASP N N 55 118.951 118.951 120.126 -1.175 25776 1810 1 3 . 1 1 55 55 ASP C C 55 174.777 174.777 176.556 -1.779 25776 1811 1 3 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.057 2.082 25776 1812 1 3 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.073 0.875 25776 1813 1 3 . 1 1 55 55 ASP H H 55 8.632 8.632 8.906 -0.274 25776 1814 1 3 . 1 1 56 56 LYS N N 56 106.363 106.363 118.181 -11.818 25776 1815 1 3 . 1 1 56 56 LYS C C 56 174.930 174.930 175.143 -0.213 25776 1816 1 3 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.327 -0.457 25776 1817 1 3 . 1 1 56 56 LYS CB C 56 35.437 35.437 32.418 3.019 25776 1818 1 3 . 1 1 56 56 LYS H H 56 7.300 7.300 8.665 -1.365 25776 1819 1 3 . 1 1 57 57 TRP N N 57 115.784 115.784 122.160 -6.376 25776 1820 1 3 . 1 1 57 57 TRP C C 57 173.960 173.960 176.337 -2.377 25776 1821 1 3 . 1 1 57 57 TRP CA C 57 55.957 55.957 58.339 -2.382 25776 1822 1 3 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.169 3.007 25776 1823 1 3 . 1 1 57 57 TRP H H 57 6.612 6.612 8.077 -1.465 25776 1824 1 3 . 1 1 58 58 GLY N N 58 107.657 107.657 105.830 1.827 25776 1825 1 3 . 1 1 58 58 GLY C C 58 172.720 172.720 172.108 0.612 25776 1826 1 3 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.512 0.272 25776 1827 1 3 . 1 1 58 58 GLY H H 58 9.271 9.271 8.426 0.845 25776 1828 1 3 . 1 1 59 59 VAL N N 59 118.434 118.434 126.167 -7.733 25776 1829 1 3 . 1 1 59 59 VAL C C 59 172.973 172.973 175.383 -2.410 25776 1830 1 3 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.700 -1.062 25776 1831 1 3 . 1 1 59 59 VAL CB C 59 36.036 36.036 33.094 2.942 25776 1832 1 3 . 1 1 59 59 VAL H H 59 9.080 9.080 8.138 0.942 25776 1833 1 3 . 1 1 60 60 GLU N N 60 127.915 127.915 129.374 -1.459 25776 1834 1 3 . 1 1 60 60 GLU C C 60 174.464 174.464 174.385 0.079 25776 1835 1 3 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.332 -0.581 25776 1836 1 3 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.389 2.653 25776 1837 1 3 . 1 1 60 60 GLU H H 60 9.431 9.431 8.834 0.597 25776 1838 1 3 . 1 1 61 61 LEU N N 61 127.764 127.764 126.608 1.156 25776 1839 1 3 . 1 1 61 61 LEU C C 61 174.746 174.746 174.767 -0.021 25776 1840 1 3 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.661 0.330 25776 1841 1 3 . 1 1 61 61 LEU CB C 61 46.880 46.880 46.072 0.808 25776 1842 1 3 . 1 1 61 61 LEU H H 61 8.730 8.730 8.095 0.635 25776 1843 1 3 . 1 1 62 62 VAL N N 62 126.465 126.465 125.065 1.400 25776 1844 1 3 . 1 1 62 62 VAL C C 62 174.453 174.453 174.842 -0.389 25776 1845 1 3 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.067 1.218 25776 1846 1 3 . 1 1 62 62 VAL CB C 62 35.086 35.086 31.409 3.677 25776 1847 1 3 . 1 1 62 62 VAL H H 62 9.068 9.068 8.182 0.886 25776 1848 1 3 . 1 1 63 63 ALA N N 63 130.444 130.444 129.465 0.979 25776 1849 1 3 . 1 1 63 63 ALA C C 63 174.030 174.030 175.003 -0.973 25776 1850 1 3 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.337 -1.087 25776 1851 1 3 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.150 1.353 25776 1852 1 3 . 1 1 63 63 ALA H H 63 9.124 9.124 8.589 0.535 25776 1853 1 3 . 1 1 64 64 ALA N N 64 121.285 121.285 125.741 -4.456 25776 1854 1 3 . 1 1 64 64 ALA C C 64 176.843 176.843 176.039 0.804 25776 1855 1 3 . 1 1 64 64 ALA CA C 64 52.170 52.170 52.178 -0.008 25776 1856 1 3 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.881 2.291 25776 1857 1 3 . 1 1 64 64 ALA H H 64 7.995 7.995 8.466 -0.471 25776 1858 1 3 . 1 1 65 65 THR N N 65 109.734 109.734 117.523 -7.789 25776 1859 1 3 . 1 1 65 65 THR C C 65 176.739 176.739 171.993 4.746 25776 1860 1 3 . 1 1 65 65 THR CA C 65 61.660 61.660 59.978 1.682 25776 1861 1 3 . 1 1 65 65 THR CB C 65 68.341 68.341 70.670 -2.329 25776 1862 1 3 . 1 1 65 65 THR H H 65 8.108 8.108 8.065 0.043 25776 1863 1 3 . 1 1 67 67 PHE N N 67 123.676 123.676 123.779 -0.103 25776 1864 1 3 . 1 1 67 67 PHE CA C 67 56.849 56.849 58.037 -1.188 25776 1865 1 3 . 1 1 67 67 PHE H H 67 8.382 8.382 8.064 0.318 25776 1866 1 3 . 1 1 74 74 LYS C C 74 177.704 177.704 175.847 1.857 25776 1867 1 3 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.965 0.063 25776 1868 1 3 . 1 1 74 74 LYS CB C 74 34.062 34.062 31.906 2.156 25776 1869 1 3 . 1 1 75 75 GLY N N 75 108.841 108.841 108.915 -0.074 25776 1870 1 3 . 1 1 75 75 GLY C C 75 174.405 174.405 172.760 1.645 25776 1871 1 3 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.910 1.802 25776 1872 1 3 . 1 1 75 75 GLY H H 75 8.069 8.069 7.793 0.276 25776 1873 1 3 . 1 1 76 76 LEU N N 76 120.093 120.093 120.225 -0.132 25776 1874 1 3 . 1 1 76 76 LEU C C 76 176.997 176.997 177.334 -0.337 25776 1875 1 3 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.196 1.984 25776 1876 1 3 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.692 2.305 25776 1877 1 3 . 1 1 76 76 LEU H H 76 7.623 7.623 8.185 -0.562 25776 1878 1 3 . 1 1 79 79 GLY C C 79 175.675 175.675 172.539 3.136 25776 1879 1 3 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.500 1.599 25776 1880 1 3 . 1 1 80 80 LEU N N 80 130.062 130.062 122.144 7.918 25776 1881 1 3 . 1 1 80 80 LEU C C 80 176.062 176.062 175.645 0.417 25776 1882 1 3 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.496 -0.092 25776 1883 1 3 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.428 -0.422 25776 1884 1 3 . 1 1 80 80 LEU H H 80 9.441 9.441 8.291 1.150 25776 1885 1 3 . 1 1 81 81 ASP N N 81 124.816 124.816 122.946 1.870 25776 1886 1 3 . 1 1 81 81 ASP C C 81 178.992 178.992 175.590 3.402 25776 1887 1 3 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.014 2.755 25776 1888 1 3 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.166 -0.220 25776 1889 1 3 . 1 1 81 81 ASP H H 81 7.854 7.854 8.379 -0.525 25776 1890 1 3 . 1 1 91 91 PRO C C 91 175.297 175.297 175.623 -0.326 25776 1891 1 3 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.690 -0.857 25776 1892 1 3 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.763 0.768 25776 1893 1 3 . 1 1 92 92 ALA N N 92 123.521 123.521 121.392 2.129 25776 1894 1 3 . 1 1 92 92 ALA C C 92 175.643 175.643 176.527 -0.884 25776 1895 1 3 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.417 1.258 25776 1896 1 3 . 1 1 92 92 ALA CB C 92 22.725 22.725 21.328 1.397 25776 1897 1 3 . 1 1 92 92 ALA H H 92 8.829 8.829 8.096 0.733 25776 1898 1 3 . 1 1 93 93 THR N N 93 117.599 117.599 120.336 -2.737 25776 1899 1 3 . 1 1 93 93 THR C C 93 171.440 171.440 173.802 -2.362 25776 1900 1 3 . 1 1 93 93 THR CA C 93 62.066 62.066 62.429 -0.363 25776 1901 1 3 . 1 1 93 93 THR CB C 93 72.352 72.352 70.951 1.401 25776 1902 1 3 . 1 1 93 93 THR H H 93 8.237 8.237 8.111 0.126 25776 1903 1 3 . 1 1 94 94 LEU N N 94 129.530 129.530 125.856 3.674 25776 1904 1 3 . 1 1 94 94 LEU C C 94 174.995 174.995 174.813 0.182 25776 1905 1 3 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.799 0.395 25776 1906 1 3 . 1 1 94 94 LEU CB C 94 47.165 47.165 46.603 0.562 25776 1907 1 3 . 1 1 94 94 LEU H H 94 8.732 8.732 8.583 0.149 25776 1908 1 3 . 1 1 95 95 LEU N N 95 124.181 124.181 123.738 0.443 25776 1909 1 3 . 1 1 95 95 LEU C C 95 175.270 175.270 174.181 1.089 25776 1910 1 3 . 1 1 95 95 LEU CA C 95 55.533 55.533 55.157 0.376 25776 1911 1 3 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.488 0.184 25776 1912 1 3 . 1 1 95 95 LEU H H 95 9.485 9.485 8.390 1.095 25776 1913 1 3 . 1 1 96 96 LEU N N 96 123.444 123.444 126.857 -3.413 25776 1914 1 3 . 1 1 96 96 LEU C C 96 174.997 174.997 175.842 -0.845 25776 1915 1 3 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.634 0.679 25776 1916 1 3 . 1 1 96 96 LEU CB C 96 45.148 45.148 42.044 3.104 25776 1917 1 3 . 1 1 96 96 LEU H H 96 8.836 8.836 9.129 -0.293 25776 1918 1 3 . 1 1 97 97 GLN N N 97 121.545 121.545 123.145 -1.600 25776 1919 1 3 . 1 1 97 97 GLN C C 97 174.324 174.324 174.427 -0.103 25776 1920 1 3 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.382 1.006 25776 1921 1 3 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.160 6.364 25776 1922 1 3 . 1 1 97 97 GLN H H 97 9.566 9.566 9.058 0.508 25776 1923 1 3 . 1 1 98 98 TYR N N 98 122.246 122.246 115.023 7.223 25776 1924 1 3 . 1 1 98 98 TYR C C 98 173.409 173.409 174.616 -1.207 25776 1925 1 3 . 1 1 98 98 TYR CA C 98 55.655 55.655 54.887 0.768 25776 1926 1 3 . 1 1 98 98 TYR CB C 98 43.208 43.208 39.712 3.496 25776 1927 1 3 . 1 1 98 98 TYR H H 98 9.053 9.053 8.458 0.595 25776 1928 1 3 . 1 1 99 99 TYR N N 99 126.872 126.872 121.347 5.525 25776 1929 1 3 . 1 1 99 99 TYR C C 99 175.310 175.310 174.773 0.537 25776 1930 1 3 . 1 1 99 99 TYR CA C 99 54.756 54.756 56.242 -1.486 25776 1931 1 3 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.020 2.615 25776 1932 1 3 . 1 1 99 99 TYR H H 99 8.344 8.344 8.233 0.111 25776 1933 1 3 . 1 1 100 100 PRO C C 100 178.304 178.304 176.702 1.602 25776 1934 1 3 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.852 0.558 25776 1935 1 3 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.323 0.784 25776 1936 1 3 . 1 1 101 101 MET N N 101 114.703 114.703 117.897 -3.194 25776 1937 1 3 . 1 1 101 101 MET C C 101 178.218 178.218 175.404 2.814 25776 1938 1 3 . 1 1 101 101 MET CA C 101 54.147 54.147 55.330 -1.183 25776 1939 1 3 . 1 1 101 101 MET CB C 101 30.956 30.956 33.815 -2.859 25776 1940 1 3 . 1 1 101 101 MET H H 101 9.432 9.432 7.994 1.438 25776 1941 1 3 . 1 1 102 102 GLY N N 102 117.671 117.671 107.437 10.234 25776 1942 1 3 . 1 1 102 102 GLY C C 102 175.611 175.611 174.653 0.958 25776 1943 1 3 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.485 1.967 25776 1944 1 3 . 1 1 102 102 GLY H H 102 8.671 8.671 8.193 0.478 25776 1945 1 3 . 1 1 103 103 GLY N N 103 111.298 111.298 112.694 -1.396 25776 1946 1 3 . 1 1 103 103 GLY C C 103 174.054 174.054 173.536 0.518 25776 1947 1 3 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.330 1.490 25776 1948 1 3 . 1 1 103 103 GLY H H 103 9.436 9.436 8.485 0.951 25776 1949 1 3 . 1 1 104 104 THR N N 104 109.330 109.330 113.393 -4.063 25776 1950 1 3 . 1 1 104 104 THR C C 104 174.248 174.248 174.079 0.169 25776 1951 1 3 . 1 1 104 104 THR CA C 104 61.454 61.454 60.055 1.399 25776 1952 1 3 . 1 1 104 104 THR CB C 104 72.711 72.711 69.682 3.029 25776 1953 1 3 . 1 1 104 104 THR H H 104 7.321 7.321 7.617 -0.296 25776 1954 1 3 . 1 1 105 105 ASN C C 105 175.032 175.032 174.885 0.147 25776 1955 1 3 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.305 0.108 25776 1956 1 3 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.896 -0.053 25776 1957 1 3 . 1 1 106 106 SER N N 106 113.116 113.116 115.027 -1.911 25776 1958 1 3 . 1 1 106 106 SER C C 106 175.961 175.961 174.023 1.938 25776 1959 1 3 . 1 1 106 106 SER CA C 106 59.289 59.289 58.161 1.128 25776 1960 1 3 . 1 1 106 106 SER CB C 106 65.208 65.208 63.625 1.583 25776 1961 1 3 . 1 1 106 106 SER H H 106 7.487 7.487 7.422 0.065 25776 1962 1 3 . 1 1 107 107 ALA N N 107 132.317 132.317 127.564 4.753 25776 1963 1 3 . 1 1 107 107 ALA C C 107 176.554 176.554 177.399 -0.845 25776 1964 1 3 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.696 2.303 25776 1965 1 3 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.938 0.592 25776 1966 1 3 . 1 1 107 107 ALA H H 107 8.891 8.891 8.347 0.544 25776 1967 1 3 . 1 1 108 108 PHE N N 108 116.265 116.265 114.943 1.322 25776 1968 1 3 . 1 1 108 108 PHE C C 108 174.254 174.254 175.335 -1.081 25776 1969 1 3 . 1 1 108 108 PHE CA C 108 56.664 56.664 55.969 0.695 25776 1970 1 3 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.724 1.510 25776 1971 1 3 . 1 1 108 108 PHE H H 108 7.592 7.592 7.059 0.533 25776 1972 1 3 . 1 1 109 109 GLN N N 109 128.401 128.401 122.411 5.990 25776 1973 1 3 . 1 1 109 109 GLN C C 109 172.298 172.298 174.424 -2.126 25776 1974 1 3 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.795 -0.858 25776 1975 1 3 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.688 0.292 25776 1976 1 3 . 1 1 109 109 GLN H H 109 9.095 9.095 8.511 0.584 25776 1977 1 3 . 1 1 110 110 PRO C C 110 175.005 175.005 175.602 -0.597 25776 1978 1 3 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.844 -0.620 25776 1979 1 3 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.690 1.439 25776 1980 1 3 . 1 1 111 111 TYR N N 111 115.731 115.731 121.758 -6.027 25776 1981 1 3 . 1 1 111 111 TYR C C 111 173.783 173.783 173.790 -0.007 25776 1982 1 3 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.645 -0.573 25776 1983 1 3 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.351 -3.916 25776 1984 1 3 . 1 1 111 111 TYR H H 111 8.510 8.510 8.445 0.065 25776 1985 1 3 . 1 1 112 112 GLY N N 112 103.737 103.737 108.387 -4.650 25776 1986 1 3 . 1 1 112 112 GLY C C 112 172.014 172.014 171.619 0.395 25776 1987 1 3 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.926 0.718 25776 1988 1 3 . 1 1 112 112 GLY H H 112 8.149 8.149 7.852 0.297 25776 1989 1 3 . 1 1 113 113 GLY N N 113 108.372 108.372 107.729 0.643 25776 1990 1 3 . 1 1 113 113 GLY C C 113 171.486 171.486 171.832 -0.346 25776 1991 1 3 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.659 1.181 25776 1992 1 3 . 1 1 113 113 GLY H H 113 9.028 9.028 8.087 0.941 25776 1993 1 3 . 1 1 114 114 LEU N N 114 120.469 120.469 114.970 5.499 25776 1994 1 3 . 1 1 114 114 LEU C C 114 175.878 175.878 175.122 0.756 25776 1995 1 3 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.180 1.431 25776 1996 1 3 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.070 3.907 25776 1997 1 3 . 1 1 114 114 LEU H H 114 8.741 8.741 7.873 0.868 25776 1998 1 3 . 1 1 115 115 GLY N N 115 111.145 111.145 104.658 6.487 25776 1999 1 3 . 1 1 115 115 GLY C C 115 171.336 171.336 172.516 -1.180 25776 2000 1 3 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.851 2.004 25776 2001 1 3 . 1 1 115 115 GLY H H 115 8.952 8.952 7.902 1.050 25776 2002 1 3 . 1 1 116 116 VAL N N 116 118.641 118.641 119.419 -0.778 25776 2003 1 3 . 1 1 116 116 VAL C C 116 172.617 172.617 174.609 -1.992 25776 2004 1 3 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.936 0.780 25776 2005 1 3 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.322 2.050 25776 2006 1 3 . 1 1 116 116 VAL H H 116 8.844 8.844 7.941 0.903 25776 2007 1 3 . 1 1 117 117 ASN N N 117 123.839 123.839 121.556 2.283 25776 2008 1 3 . 1 1 117 117 ASN C C 117 171.105 171.105 173.149 -2.044 25776 2009 1 3 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.055 0.887 25776 2010 1 3 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.971 2.607 25776 2011 1 3 . 1 1 117 117 ASN H H 117 9.647 9.647 8.429 1.218 25776 2012 1 3 . 1 1 118 118 TYR N N 118 125.160 125.160 125.733 -0.573 25776 2013 1 3 . 1 1 118 118 TYR C C 118 174.349 174.349 174.426 -0.077 25776 2014 1 3 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.454 -0.897 25776 2015 1 3 . 1 1 118 118 TYR CB C 118 42.564 42.564 40.583 1.981 25776 2016 1 3 . 1 1 118 118 TYR H H 118 8.989 8.989 8.927 0.062 25776 2017 1 3 . 1 1 119 119 THR N N 119 124.319 124.319 119.204 5.115 25776 2018 1 3 . 1 1 119 119 THR C C 119 171.231 171.231 173.048 -1.817 25776 2019 1 3 . 1 1 119 119 THR CA C 119 62.951 62.951 59.906 3.045 25776 2020 1 3 . 1 1 119 119 THR CB C 119 72.427 72.427 70.572 1.855 25776 2021 1 3 . 1 1 119 119 THR H H 119 8.806 8.806 8.514 0.292 25776 2022 1 3 . 1 1 120 120 THR N N 120 119.978 119.978 116.858 3.120 25776 2023 1 3 . 1 1 120 120 THR C C 120 171.174 171.174 173.832 -2.658 25776 2024 1 3 . 1 1 120 120 THR CA C 120 59.197 59.197 61.217 -2.019 25776 2025 1 3 . 1 1 120 120 THR CB C 120 72.088 72.088 70.290 1.798 25776 2026 1 3 . 1 1 120 120 THR H H 120 7.559 7.559 8.112 -0.553 25776 2027 1 3 . 1 1 121 121 PHE C C 121 175.289 175.289 174.220 1.069 25776 2028 1 3 . 1 1 121 121 PHE CB C 121 44.369 44.369 40.178 4.191 25776 2029 1 3 . 1 1 122 122 PHE N N 122 117.578 117.578 121.939 -4.361 25776 2030 1 3 . 1 1 122 122 PHE C C 122 172.555 172.555 175.565 -3.010 25776 2031 1 3 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.234 -1.350 25776 2032 1 3 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.752 0.479 25776 2033 1 3 . 1 1 122 122 PHE H H 122 8.541 8.541 8.662 -0.121 25776 2034 1 3 . 1 1 123 123 ASP N N 123 116.448 116.448 120.784 -4.336 25776 2035 1 3 . 1 1 123 123 ASP C C 123 175.240 175.240 175.505 -0.265 25776 2036 1 3 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.700 2.134 25776 2037 1 3 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.681 -1.837 25776 2038 1 3 . 1 1 123 123 ASP H H 123 8.940 8.940 8.368 0.572 25776 2039 1 3 . 1 1 124 124 GLU C C 124 177.545 177.545 176.164 1.381 25776 2040 1 3 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.051 3.839 25776 2041 1 3 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.797 -1.339 25776 2042 1 3 . 1 1 125 125 ASP N N 125 126.424 126.424 124.172 2.252 25776 2043 1 3 . 1 1 125 125 ASP C C 125 176.191 176.191 177.686 -1.495 25776 2044 1 3 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.616 -1.605 25776 2045 1 3 . 1 1 125 125 ASP CB C 125 43.549 43.549 40.756 2.793 25776 2046 1 3 . 1 1 125 125 ASP H H 125 9.100 9.100 8.785 0.315 25776 2047 1 3 . 1 1 126 126 LEU N N 126 127.990 127.990 120.254 7.736 25776 2048 1 3 . 1 1 126 126 LEU C C 126 175.808 175.808 177.342 -1.534 25776 2049 1 3 . 1 1 126 126 LEU CA C 126 56.268 56.268 56.085 0.183 25776 2050 1 3 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.935 2.921 25776 2051 1 3 . 1 1 126 126 LEU H H 126 8.570 8.570 7.756 0.814 25776 2052 1 3 . 1 1 127 127 ALA N N 127 124.126 124.126 119.936 4.190 25776 2053 1 3 . 1 1 127 127 ALA C C 127 179.833 179.833 176.506 3.327 25776 2054 1 3 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.676 1.045 25776 2055 1 3 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.783 0.276 25776 2056 1 3 . 1 1 127 127 ALA H H 127 7.885 7.885 7.764 0.121 25776 2057 1 3 . 1 1 129 129 ASN C C 129 176.927 176.927 175.991 0.936 25776 2058 1 3 . 1 1 129 129 ASN CB C 129 37.473 37.473 40.270 -2.797 25776 2059 1 3 . 1 1 130 130 ARG N N 130 117.748 117.748 121.431 -3.683 25776 2060 1 3 . 1 1 130 130 ARG C C 130 179.430 179.430 178.193 1.237 25776 2061 1 3 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.697 -2.854 25776 2062 1 3 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.648 -0.323 25776 2063 1 3 . 1 1 130 130 ARG H H 130 7.435 7.435 8.881 -1.446 25776 2064 1 3 . 1 1 131 131 LYS N N 131 122.261 122.261 119.674 2.587 25776 2065 1 3 . 1 1 131 131 LYS C C 131 180.937 180.937 178.471 2.466 25776 2066 1 3 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.537 1.924 25776 2067 1 3 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.968 0.943 25776 2068 1 3 . 1 1 131 131 LYS H H 131 7.945 7.945 8.519 -0.574 25776 2069 1 3 . 1 1 132 132 ALA N N 132 122.083 122.083 121.257 0.826 25776 2070 1 3 . 1 1 132 132 ALA C C 132 178.748 178.748 178.393 0.355 25776 2071 1 3 . 1 1 132 132 ALA CA C 132 55.369 55.369 53.940 1.429 25776 2072 1 3 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.101 1.028 25776 2073 1 3 . 1 1 132 132 ALA H H 132 7.770 7.770 8.157 -0.387 25776 2074 1 3 . 1 1 133 133 GLN N N 133 116.102 116.102 118.388 -2.286 25776 2075 1 3 . 1 1 133 133 GLN C C 133 175.525 175.525 175.621 -0.096 25776 2076 1 3 . 1 1 133 133 GLN CA C 133 57.098 57.098 54.476 2.622 25776 2077 1 3 . 1 1 133 133 GLN CB C 133 30.355 30.355 28.748 1.607 25776 2078 1 3 . 1 1 133 133 GLN H H 133 7.302 7.302 7.720 -0.418 25776 2079 1 3 . 1 1 134 134 GLY N N 134 104.444 104.444 107.837 -3.393 25776 2080 1 3 . 1 1 134 134 GLY C C 134 174.460 174.460 173.762 0.698 25776 2081 1 3 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.635 0.247 25776 2082 1 3 . 1 1 134 134 GLY H H 134 7.596 7.596 7.846 -0.250 25776 2083 1 3 . 1 1 135 135 PHE N N 135 119.775 119.775 119.679 0.096 25776 2084 1 3 . 1 1 135 135 PHE C C 135 174.922 174.922 175.120 -0.198 25776 2085 1 3 . 1 1 135 135 PHE CA C 135 58.894 58.894 55.978 2.916 25776 2086 1 3 . 1 1 135 135 PHE CB C 135 40.291 40.291 38.811 1.480 25776 2087 1 3 . 1 1 135 135 PHE H H 135 7.737 7.737 7.431 0.306 25776 2088 1 3 . 1 1 136 136 SER N N 136 115.673 115.673 121.417 -5.744 25776 2089 1 3 . 1 1 136 136 SER C C 136 174.415 174.415 174.179 0.236 25776 2090 1 3 . 1 1 136 136 SER CA C 136 59.679 59.679 58.775 0.904 25776 2091 1 3 . 1 1 136 136 SER CB C 136 66.246 66.246 64.289 1.957 25776 2092 1 3 . 1 1 136 136 SER H H 136 8.862 8.862 8.881 -0.019 25776 2093 1 3 . 1 1 137 137 SER N N 137 114.341 114.341 115.316 -0.975 25776 2094 1 3 . 1 1 137 137 SER C C 137 172.164 172.164 173.479 -1.315 25776 2095 1 3 . 1 1 137 137 SER CA C 137 58.955 58.955 57.669 1.286 25776 2096 1 3 . 1 1 137 137 SER CB C 137 65.592 65.592 64.730 0.863 25776 2097 1 3 . 1 1 137 137 SER H H 137 7.912 7.912 8.085 -0.173 25776 2098 1 3 . 1 1 138 138 MET N N 138 120.555 120.555 121.161 -0.606 25776 2099 1 3 . 1 1 138 138 MET C C 138 173.189 173.189 176.355 -3.166 25776 2100 1 3 . 1 1 138 138 MET CA C 138 55.879 55.879 56.747 -0.868 25776 2101 1 3 . 1 1 138 138 MET CB C 138 36.962 36.962 34.513 2.450 25776 2102 1 3 . 1 1 138 138 MET H H 138 8.461 8.461 9.160 -0.699 25776 2103 1 3 . 1 1 141 141 GLN C C 141 176.182 176.182 176.942 -0.760 25776 2104 1 3 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.392 2.043 25776 2105 1 3 . 1 1 142 142 ASP N N 142 124.414 124.414 115.366 9.048 25776 2106 1 3 . 1 1 142 142 ASP C C 142 175.702 175.702 175.158 0.544 25776 2107 1 3 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.552 1.755 25776 2108 1 3 . 1 1 142 142 ASP CB C 142 41.738 41.738 43.354 -1.616 25776 2109 1 3 . 1 1 142 142 ASP H H 142 8.728 8.728 9.119 -0.391 25776 2110 1 3 . 1 1 143 143 SER N N 143 114.920 114.920 114.647 0.273 25776 2111 1 3 . 1 1 143 143 SER C C 143 172.289 172.289 172.313 -0.024 25776 2112 1 3 . 1 1 143 143 SER CA C 143 57.652 57.652 57.967 -0.315 25776 2113 1 3 . 1 1 143 143 SER CB C 143 66.215 66.215 64.166 2.049 25776 2114 1 3 . 1 1 143 143 SER H H 143 8.703 8.703 8.240 0.463 25776 2115 1 3 . 1 1 144 144 TRP N N 144 126.444 126.444 120.949 5.495 25776 2116 1 3 . 1 1 144 144 TRP C C 144 177.307 177.307 173.963 3.344 25776 2117 1 3 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.778 0.097 25776 2118 1 3 . 1 1 144 144 TRP CB C 144 33.364 33.364 31.419 1.945 25776 2119 1 3 . 1 1 144 144 TRP H H 144 8.101 8.101 7.525 0.576 25776 2120 1 3 . 1 1 145 145 GLY N N 145 108.757 108.757 105.044 3.713 25776 2121 1 3 . 1 1 145 145 GLY C C 145 171.985 171.985 172.067 -0.082 25776 2122 1 3 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.666 1.882 25776 2123 1 3 . 1 1 145 145 GLY H H 145 8.889 8.889 7.925 0.964 25776 2124 1 3 . 1 1 146 146 LEU N N 146 121.579 121.579 120.856 0.723 25776 2125 1 3 . 1 1 146 146 LEU C C 146 174.909 174.909 176.577 -1.668 25776 2126 1 3 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.067 2.108 25776 2127 1 3 . 1 1 146 146 LEU CB C 146 45.163 45.163 45.492 -0.329 25776 2128 1 3 . 1 1 146 146 LEU H H 146 9.035 9.035 8.616 0.419 25776 2129 1 3 . 1 1 147 147 ALA N N 147 121.342 121.342 127.260 -5.918 25776 2130 1 3 . 1 1 147 147 ALA C C 147 175.588 175.588 176.063 -0.475 25776 2131 1 3 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.954 0.980 25776 2132 1 3 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.465 2.640 25776 2133 1 3 . 1 1 147 147 ALA H H 147 8.123 8.123 8.375 -0.252 25776 2134 1 3 . 1 1 148 148 GLY N N 148 106.598 106.598 106.774 -0.176 25776 2135 1 3 . 1 1 148 148 GLY C C 148 171.829 171.829 172.119 -0.290 25776 2136 1 3 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.343 0.406 25776 2137 1 3 . 1 1 148 148 GLY H H 148 9.216 9.216 8.016 1.200 25776 2138 1 3 . 1 1 149 149 GLU N N 149 122.775 122.775 124.705 -1.930 25776 2139 1 3 . 1 1 149 149 GLU C C 149 174.078 174.078 174.589 -0.511 25776 2140 1 3 . 1 1 149 149 GLU CA C 149 55.802 55.802 54.775 1.027 25776 2141 1 3 . 1 1 149 149 GLU CB C 149 38.415 38.415 32.663 5.752 25776 2142 1 3 . 1 1 149 149 GLU H H 149 8.493 8.493 8.127 0.366 25776 2143 1 3 . 1 1 150 150 LEU N N 150 126.310 126.310 123.902 2.408 25776 2144 1 3 . 1 1 150 150 LEU C C 150 174.309 174.309 175.455 -1.146 25776 2145 1 3 . 1 1 150 150 LEU CA C 150 54.942 54.942 53.869 1.073 25776 2146 1 3 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.633 2.857 25776 2147 1 3 . 1 1 150 150 LEU H H 150 8.580 8.580 7.857 0.723 25776 2148 1 3 . 1 1 151 151 GLY N N 151 109.909 109.909 109.782 0.127 25776 2149 1 3 . 1 1 151 151 GLY C C 151 170.538 170.538 171.691 -1.153 25776 2150 1 3 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.934 0.686 25776 2151 1 3 . 1 1 151 151 GLY H H 151 8.115 8.115 8.567 -0.452 25776 2152 1 3 . 1 1 152 152 PHE N N 152 111.012 111.012 116.246 -5.234 25776 2153 1 3 . 1 1 152 152 PHE C C 152 171.455 171.455 173.714 -2.259 25776 2154 1 3 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.610 2.102 25776 2155 1 3 . 1 1 152 152 PHE CB C 152 42.495 42.495 43.356 -0.861 25776 2156 1 3 . 1 1 152 152 PHE H H 152 8.365 8.365 8.914 -0.549 25776 2157 1 3 . 1 1 153 153 ASP N N 153 119.057 119.057 119.369 -0.312 25776 2158 1 3 . 1 1 153 153 ASP C C 153 176.522 176.522 175.066 1.456 25776 2159 1 3 . 1 1 153 153 ASP CA C 153 53.466 53.466 54.015 -0.549 25776 2160 1 3 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.618 1.479 25776 2161 1 3 . 1 1 153 153 ASP H H 153 8.014 8.014 8.511 -0.497 25776 2162 1 3 . 1 1 154 154 TYR N N 154 123.640 123.640 125.715 -2.075 25776 2163 1 3 . 1 1 154 154 TYR C C 154 175.593 175.593 175.103 0.490 25776 2164 1 3 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.007 0.881 25776 2165 1 3 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.640 4.182 25776 2166 1 3 . 1 1 154 154 TYR H H 154 9.744 9.744 8.175 1.569 25776 2167 1 3 . 1 1 155 155 MET N N 155 126.409 126.409 120.809 5.600 25776 2168 1 3 . 1 1 155 155 MET C C 155 174.938 174.938 175.419 -0.481 25776 2169 1 3 . 1 1 155 155 MET CA C 155 55.410 55.410 56.544 -1.134 25776 2170 1 3 . 1 1 155 155 MET CB C 155 29.170 29.170 33.306 -4.136 25776 2171 1 3 . 1 1 155 155 MET H H 155 8.659 8.659 8.298 0.361 25776 2172 1 3 . 1 1 156 156 LEU N N 156 125.396 125.396 123.155 2.241 25776 2173 1 3 . 1 1 156 156 LEU C C 156 177.567 177.567 177.924 -0.357 25776 2174 1 3 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.655 0.918 25776 2175 1 3 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.920 0.992 25776 2176 1 3 . 1 1 156 156 LEU H H 156 9.232 9.232 8.737 0.495 25776 2177 1 3 . 1 1 157 157 ASN N N 157 114.903 114.903 115.283 -0.380 25776 2178 1 3 . 1 1 157 157 ASN C C 157 173.568 173.568 175.596 -2.028 25776 2179 1 3 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.894 -1.702 25776 2180 1 3 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.341 0.570 25776 2181 1 3 . 1 1 157 157 ASN H H 157 8.099 8.099 8.037 0.062 25776 2182 1 3 . 1 1 158 158 GLU N N 158 114.724 114.724 118.171 -3.447 25776 2183 1 3 . 1 1 158 158 GLU C C 158 176.032 176.032 177.332 -1.300 25776 2184 1 3 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.016 2.662 25776 2185 1 3 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.401 0.114 25776 2186 1 3 . 1 1 158 158 GLU H H 158 8.625 8.625 8.672 -0.047 25776 2187 1 3 . 1 1 159 159 HIS N N 159 111.022 111.022 114.800 -3.778 25776 2188 1 3 . 1 1 159 159 HIS C C 159 173.158 173.158 173.447 -0.289 25776 2189 1 3 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.179 1.257 25776 2190 1 3 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.112 1.280 25776 2191 1 3 . 1 1 159 159 HIS H H 159 8.201 8.201 8.061 0.140 25776 2192 1 3 . 1 1 160 160 ALA N N 160 122.967 122.967 119.131 3.836 25776 2193 1 3 . 1 1 160 160 ALA C C 160 176.212 176.212 175.070 1.142 25776 2194 1 3 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.688 0.634 25776 2195 1 3 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.944 1.482 25776 2196 1 3 . 1 1 160 160 ALA H H 160 8.389 8.389 7.577 0.812 25776 2197 1 3 . 1 1 161 161 LEU N N 161 116.648 116.648 115.984 0.664 25776 2198 1 3 . 1 1 161 161 LEU C C 161 174.922 174.922 175.003 -0.081 25776 2199 1 3 . 1 1 161 161 LEU CA C 161 54.885 54.885 54.325 0.560 25776 2200 1 3 . 1 1 161 161 LEU CB C 161 46.495 46.495 45.139 1.357 25776 2201 1 3 . 1 1 161 161 LEU H H 161 8.616 8.616 8.274 0.342 25776 2202 1 3 . 1 1 162 162 PHE N N 162 121.938 121.938 118.905 3.033 25776 2203 1 3 . 1 1 162 162 PHE C C 162 171.989 171.989 174.954 -2.965 25776 2204 1 3 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.935 0.083 25776 2205 1 3 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.137 1.952 25776 2206 1 3 . 1 1 162 162 PHE H H 162 9.221 9.221 8.550 0.671 25776 2207 1 3 . 1 1 163 163 ASN N N 163 127.932 127.932 124.063 3.869 25776 2208 1 3 . 1 1 163 163 ASN C C 163 171.357 171.357 173.438 -2.081 25776 2209 1 3 . 1 1 163 163 ASN CA C 163 52.949 52.949 53.181 -0.232 25776 2210 1 3 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.803 5.237 25776 2211 1 3 . 1 1 163 163 ASN H H 163 7.735 7.735 8.146 -0.411 25776 2212 1 3 . 1 1 164 164 MET N N 164 120.121 120.121 125.519 -5.398 25776 2213 1 3 . 1 1 164 164 MET C C 164 172.837 172.837 173.675 -0.838 25776 2214 1 3 . 1 1 164 164 MET CA C 164 55.914 55.914 53.873 2.041 25776 2215 1 3 . 1 1 164 164 MET CB C 164 38.643 38.643 37.142 1.501 25776 2216 1 3 . 1 1 164 164 MET H H 164 7.092 7.092 9.283 -2.191 25776 2217 1 3 . 1 1 165 165 ALA N N 165 120.745 120.745 125.664 -4.919 25776 2218 1 3 . 1 1 165 165 ALA C C 165 174.047 174.047 174.429 -0.382 25776 2219 1 3 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.531 0.883 25776 2220 1 3 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.569 0.574 25776 2221 1 3 . 1 1 165 165 ALA H H 165 8.370 8.370 9.021 -0.651 25776 2222 1 3 . 1 1 166 166 VAL N N 166 118.385 118.385 114.453 3.932 25776 2223 1 3 . 1 1 166 166 VAL C C 166 172.556 172.556 175.282 -2.726 25776 2224 1 3 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.943 -0.315 25776 2225 1 3 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.413 3.714 25776 2226 1 3 . 1 1 166 166 VAL H H 166 8.723 8.723 8.504 0.219 25776 2227 1 3 . 1 1 167 167 TRP N N 167 123.258 123.258 128.159 -4.901 25776 2228 1 3 . 1 1 167 167 TRP C C 167 174.016 174.016 175.736 -1.720 25776 2229 1 3 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.478 1.126 25776 2230 1 3 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.298 3.361 25776 2231 1 3 . 1 1 167 167 TRP H H 167 9.312 9.312 8.331 0.981 25776 2232 1 3 . 1 1 168 168 TYR N N 168 121.455 121.455 126.668 -5.213 25776 2233 1 3 . 1 1 168 168 TYR C C 168 175.110 175.110 175.804 -0.694 25776 2234 1 3 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.747 -1.561 25776 2235 1 3 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.867 2.573 25776 2236 1 3 . 1 1 168 168 TYR H H 168 8.398 8.398 9.192 -0.794 25776 2237 1 3 . 1 1 169 169 MET N N 169 124.800 124.800 124.957 -0.157 25776 2238 1 3 . 1 1 169 169 MET C C 169 172.688 172.688 175.895 -3.207 25776 2239 1 3 . 1 1 169 169 MET CA C 169 55.640 55.640 55.360 0.280 25776 2240 1 3 . 1 1 169 169 MET CB C 169 34.143 34.143 32.950 1.193 25776 2241 1 3 . 1 1 169 169 MET H H 169 8.131 8.131 8.448 -0.317 25776 2242 1 3 . 1 1 170 170 ASP N N 170 122.780 122.780 119.956 2.824 25776 2243 1 3 . 1 1 170 170 ASP C C 170 174.864 174.864 175.992 -1.128 25776 2244 1 3 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.885 0.998 25776 2245 1 3 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.330 0.348 25776 2246 1 3 . 1 1 170 170 ASP H H 170 8.191 8.191 8.419 -0.228 25776 2247 1 3 . 1 1 171 171 ILE N N 171 127.252 127.252 113.544 13.708 25776 2248 1 3 . 1 1 171 171 ILE C C 171 174.476 174.476 174.581 -0.105 25776 2249 1 3 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.128 0.815 25776 2250 1 3 . 1 1 171 171 ILE CB C 171 40.521 40.521 40.382 0.139 25776 2251 1 3 . 1 1 171 171 ILE H H 171 7.805 7.805 8.113 -0.307 25776 2252 1 3 . 1 1 172 172 ASP N N 172 129.369 129.369 125.197 4.172 25776 2253 1 3 . 1 1 172 172 ASP C C 172 174.520 174.520 176.752 -2.232 25776 2254 1 3 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.115 0.686 25776 2255 1 3 . 1 1 172 172 ASP CB C 172 43.089 43.089 42.072 1.017 25776 2256 1 3 . 1 1 172 172 ASP H H 172 8.541 8.541 8.401 0.140 25776 2257 1 3 . 1 1 173 173 THR N N 173 118.920 118.920 112.597 6.323 25776 2258 1 3 . 1 1 173 173 THR C C 173 172.170 172.170 174.665 -2.495 25776 2259 1 3 . 1 1 173 173 THR CA C 173 60.936 60.936 62.024 -1.088 25776 2260 1 3 . 1 1 173 173 THR CB C 173 70.002 70.002 69.143 0.859 25776 2261 1 3 . 1 1 173 173 THR H H 173 8.814 8.814 8.093 0.721 25776 2262 1 3 . 1 1 176 176 SER C C 176 174.672 174.672 174.581 0.091 25776 2263 1 3 . 1 1 176 176 SER CA C 176 58.834 58.834 58.151 0.683 25776 2264 1 3 . 1 1 176 176 SER CB C 176 64.984 64.984 64.120 0.864 25776 2265 1 3 . 1 1 177 177 ILE N N 177 121.645 121.645 121.828 -0.183 25776 2266 1 3 . 1 1 177 177 ILE C C 177 174.945 174.945 175.051 -0.106 25776 2267 1 3 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.708 1.638 25776 2268 1 3 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.667 1.472 25776 2269 1 3 . 1 1 177 177 ILE H H 177 7.993 7.993 7.903 0.090 25776 2270 1 3 . 1 1 178 178 ASN N N 178 127.223 127.223 125.282 1.941 25776 2271 1 3 . 1 1 178 178 ASN C C 178 179.120 179.120 175.437 3.683 25776 2272 1 3 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.486 2.177 25776 2273 1 3 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.867 3.053 25776 2274 1 3 . 1 1 178 178 ASN H H 178 7.882 7.882 8.799 -0.917 25776 2275 1 3 . 1 1 182 182 ALA N N 182 124.095 124.095 130.692 -6.597 25776 2276 1 3 . 1 1 182 182 ALA C C 182 177.680 177.680 176.859 0.821 25776 2277 1 3 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.885 2.332 25776 2278 1 3 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.065 0.704 25776 2279 1 3 . 1 1 182 182 ALA H H 182 8.100 8.100 8.423 -0.323 25776 2280 1 3 . 1 1 183 183 LEU N N 183 118.394 118.394 119.360 -0.966 25776 2281 1 3 . 1 1 183 183 LEU C C 183 177.352 177.352 175.541 1.811 25776 2282 1 3 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.470 1.357 25776 2283 1 3 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.732 0.452 25776 2284 1 3 . 1 1 183 183 LEU H H 183 7.854 7.854 8.118 -0.264 25776 2285 1 3 . 1 1 184 184 GLY N N 184 107.897 107.897 113.175 -5.278 25776 2286 1 3 . 1 1 184 184 GLY C C 184 174.288 174.288 174.050 0.238 25776 2287 1 3 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.225 1.450 25776 2288 1 3 . 1 1 184 184 GLY H H 184 7.883 7.883 8.261 -0.378 25776 2289 1 3 . 1 1 185 185 VAL N N 185 118.254 118.254 118.668 -0.414 25776 2290 1 3 . 1 1 185 185 VAL C C 185 175.475 175.475 175.428 0.047 25776 2291 1 3 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.119 1.929 25776 2292 1 3 . 1 1 185 185 VAL CB C 185 33.471 33.471 30.879 2.592 25776 2293 1 3 . 1 1 185 185 VAL H H 185 7.676 7.676 8.233 -0.557 25776 2294 1 3 . 1 1 186 186 ASN N N 186 121.756 121.756 120.133 1.623 25776 2295 1 3 . 1 1 186 186 ASN C C 186 174.724 174.724 174.013 0.711 25776 2296 1 3 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.196 1.397 25776 2297 1 3 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.187 0.711 25776 2298 1 3 . 1 1 186 186 ASN H H 186 8.331 8.331 8.065 0.266 25776 2299 1 3 . 1 1 187 187 LYS N N 187 120.959 120.959 120.699 0.260 25776 2300 1 3 . 1 1 187 187 LYS C C 187 174.652 174.652 174.592 0.060 25776 2301 1 3 . 1 1 187 187 LYS CA C 187 57.198 57.198 57.501 -0.303 25776 2302 1 3 . 1 1 187 187 LYS CB C 187 34.043 34.043 30.874 3.169 25776 2303 1 3 . 1 1 187 187 LYS H H 187 8.031 8.031 8.452 -0.421 25776 2304 1 3 . 1 1 189 189 LYS C C 189 176.088 176.088 175.875 0.213 25776 2305 1 3 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.147 1.295 25776 2306 1 3 . 1 1 190 190 VAL N N 190 121.122 121.122 117.197 3.925 25776 2307 1 3 . 1 1 190 190 VAL C C 190 175.545 175.545 174.691 0.854 25776 2308 1 3 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.191 1.931 25776 2309 1 3 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.220 1.728 25776 2310 1 3 . 1 1 190 190 VAL H H 190 8.067 8.067 7.576 0.491 25776 2311 1 3 . 1 1 191 191 ASP N N 191 124.022 124.022 126.169 -2.147 25776 2312 1 3 . 1 1 191 191 ASP C C 191 175.710 175.710 176.037 -0.327 25776 2313 1 3 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.109 2.159 25776 2314 1 3 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.286 0.692 25776 2315 1 3 . 1 1 191 191 ASP H H 191 8.282 8.282 8.500 -0.218 25776 2316 1 3 . 1 1 192 192 VAL N N 192 118.928 118.928 118.747 0.181 25776 2317 1 3 . 1 1 192 192 VAL C C 192 175.433 175.433 174.770 0.663 25776 2318 1 3 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.647 0.173 25776 2319 1 3 . 1 1 192 192 VAL CB C 192 34.105 34.105 31.997 2.108 25776 2320 1 3 . 1 1 192 192 VAL H H 192 7.877 7.877 7.581 0.296 25776 2321 1 3 . 1 1 193 193 ASP N N 193 124.364 124.364 122.222 2.142 25776 2322 1 3 . 1 1 193 193 ASP C C 193 176.118 176.118 175.405 0.713 25776 2323 1 3 . 1 1 193 193 ASP CA C 193 55.211 55.211 53.644 1.567 25776 2324 1 3 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.365 -0.332 25776 2325 1 3 . 1 1 193 193 ASP H H 193 8.335 8.335 8.361 -0.026 25776 2326 1 3 . 1 1 198 198 VAL N N 198 126.400 126.400 117.449 8.951 25776 2327 1 3 . 1 1 198 198 VAL C C 198 174.600 174.600 173.877 0.723 25776 2328 1 3 . 1 1 198 198 VAL CA C 198 60.440 60.440 60.216 0.224 25776 2329 1 3 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.517 1.583 25776 2330 1 3 . 1 1 198 198 VAL H H 198 8.474 8.474 8.214 0.260 25776 2331 1 3 . 1 1 199 199 TYR N N 199 123.900 123.900 125.061 -1.161 25776 2332 1 3 . 1 1 199 199 TYR C C 199 173.600 173.600 175.247 -1.647 25776 2333 1 3 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.436 -1.926 25776 2334 1 3 . 1 1 199 199 TYR CB C 199 40.630 40.630 42.166 -1.536 25776 2335 1 3 . 1 1 199 199 TYR H H 199 8.748 8.748 8.543 0.205 25776 2336 1 3 . 1 1 200 200 MET N N 200 123.700 123.700 123.577 0.123 25776 2337 1 3 . 1 1 200 200 MET CA C 200 49.420 49.420 54.781 -5.361 25776 2338 1 3 . 1 1 200 200 MET H H 200 9.057 9.057 9.475 -0.418 25776 2339 1 3 . 1 1 201 201 ILE C C 201 174.016 174.016 175.297 -1.281 25776 2340 1 3 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.857 0.617 25776 2341 1 3 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.064 2.371 25776 2342 1 3 . 1 1 202 202 GLY N N 202 113.215 113.215 111.470 1.745 25776 2343 1 3 . 1 1 202 202 GLY C C 202 170.124 170.124 172.026 -1.902 25776 2344 1 3 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.507 3.053 25776 2345 1 3 . 1 1 202 202 GLY H H 202 8.646 8.646 7.886 0.760 25776 2346 1 3 . 1 1 203 203 PHE N N 203 116.782 116.782 116.390 0.392 25776 2347 1 3 . 1 1 203 203 PHE C C 203 174.063 174.063 173.974 0.089 25776 2348 1 3 . 1 1 203 203 PHE CA C 203 56.451 56.451 55.034 1.417 25776 2349 1 3 . 1 1 203 203 PHE CB C 203 45.699 45.699 42.112 3.587 25776 2350 1 3 . 1 1 203 203 PHE H H 203 8.482 8.482 7.856 0.626 25776 2351 1 3 . 1 1 204 204 GLY N N 204 105.936 105.936 105.057 0.879 25776 2352 1 3 . 1 1 204 204 GLY C C 204 171.097 171.097 171.886 -0.789 25776 2353 1 3 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.189 2.285 25776 2354 1 3 . 1 1 204 204 GLY H H 204 9.003 9.003 8.166 0.837 25776 2355 1 3 . 1 1 205 205 TYR N N 205 121.196 121.196 118.972 2.224 25776 2356 1 3 . 1 1 205 205 TYR C C 205 172.994 172.994 173.383 -0.389 25776 2357 1 3 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.928 0.757 25776 2358 1 3 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.380 1.810 25776 2359 1 3 . 1 1 205 205 TYR H H 205 9.413 9.413 8.307 1.106 25776 2360 1 3 . 1 1 206 206 LYS N N 206 126.788 126.788 123.763 3.025 25776 2361 1 3 . 1 1 206 206 LYS C C 206 174.161 174.161 174.819 -0.658 25776 2362 1 3 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.644 0.786 25776 2363 1 3 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.219 1.206 25776 2364 1 3 . 1 1 206 206 LYS H H 206 8.364 8.364 7.575 0.789 25776 2365 1 3 . 1 1 207 207 PHE N N 207 126.168 126.168 126.343 -0.175 25776 2366 1 3 . 1 1 207 207 PHE C C 207 175.094 175.094 175.215 -0.121 25776 2367 1 3 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.133 0.557 25776 2368 1 3 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.039 1.624 25776 2369 1 3 . 1 1 207 207 PHE H H 207 9.308 9.308 8.036 1.272 25776 2370 1 3 . 1 1 208 208 LEU N N 208 123.199 123.199 125.783 -2.584 25776 2371 1 3 . 1 1 208 208 LEU C C 208 176.580 176.580 175.662 0.918 25776 2372 1 3 . 1 1 208 208 LEU CA C 208 55.471 55.471 53.371 2.100 25776 2373 1 3 . 1 1 208 208 LEU CB C 208 44.713 44.713 44.354 0.359 25776 2374 1 3 . 1 1 208 208 LEU H H 208 8.376 8.376 8.561 -0.185 25776 2375 1 3 . 1 1 209 209 GLU N N 209 121.960 121.960 121.690 0.270 25776 2376 1 3 . 1 1 209 209 GLU C C 209 176.226 176.226 175.565 0.661 25776 2377 1 3 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.178 1.554 25776 2378 1 3 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.218 1.235 25776 2379 1 3 . 1 1 209 209 GLU H H 209 8.500 8.500 8.586 -0.086 25776 2380 1 4 . 1 1 2 2 HIS C C 2 175.393 175.393 173.355 2.038 25776 2381 1 4 . 1 1 2 2 HIS CA C 2 53.804 53.804 57.175 -3.371 25776 2382 1 4 . 1 1 2 2 HIS CB C 2 30.780 30.780 29.456 1.324 25776 2383 1 4 . 1 1 3 3 LYS N N 3 121.908 121.908 122.089 -0.181 25776 2384 1 4 . 1 1 3 3 LYS C C 3 173.475 173.475 174.364 -0.889 25776 2385 1 4 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.503 -0.476 25776 2386 1 4 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.438 -0.238 25776 2387 1 4 . 1 1 3 3 LYS H H 3 8.608 8.608 7.941 0.667 25776 2388 1 4 . 1 1 4 4 ALA N N 4 120.771 120.771 123.800 -3.029 25776 2389 1 4 . 1 1 4 4 ALA C C 4 178.118 178.118 177.935 0.183 25776 2390 1 4 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.980 0.459 25776 2391 1 4 . 1 1 4 4 ALA CB C 4 18.049 18.049 17.561 0.488 25776 2392 1 4 . 1 1 4 4 ALA H H 4 8.581 8.581 8.441 0.140 25776 2393 1 4 . 1 1 5 5 GLY N N 5 112.807 112.807 113.550 -0.743 25776 2394 1 4 . 1 1 5 5 GLY C C 5 173.788 173.788 173.642 0.146 25776 2395 1 4 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.312 0.508 25776 2396 1 4 . 1 1 5 5 GLY H H 5 9.170 9.170 8.741 0.429 25776 2397 1 4 . 1 1 6 6 ASP N N 6 121.504 121.504 120.908 0.596 25776 2398 1 4 . 1 1 6 6 ASP C C 6 174.307 174.307 174.726 -0.419 25776 2399 1 4 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.796 0.022 25776 2400 1 4 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.629 -0.054 25776 2401 1 4 . 1 1 6 6 ASP H H 6 7.619 7.619 7.328 0.291 25776 2402 1 4 . 1 1 7 7 PHE N N 7 121.212 121.212 124.979 -3.767 25776 2403 1 4 . 1 1 7 7 PHE C C 7 174.030 174.030 174.408 -0.378 25776 2404 1 4 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.744 -2.143 25776 2405 1 4 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.970 3.106 25776 2406 1 4 . 1 1 7 7 PHE H H 7 8.285 8.285 8.673 -0.388 25776 2407 1 4 . 1 1 8 8 ILE N N 8 128.185 128.185 127.202 0.983 25776 2408 1 4 . 1 1 8 8 ILE C C 8 173.961 173.961 174.626 -0.665 25776 2409 1 4 . 1 1 8 8 ILE CA C 8 61.723 61.723 60.395 1.328 25776 2410 1 4 . 1 1 8 8 ILE CB C 8 43.669 43.669 40.656 3.013 25776 2411 1 4 . 1 1 8 8 ILE H H 8 9.245 9.245 9.095 0.150 25776 2412 1 4 . 1 1 9 9 ILE N N 9 125.624 125.624 127.872 -2.248 25776 2413 1 4 . 1 1 9 9 ILE C C 9 173.731 173.731 175.133 -1.402 25776 2414 1 4 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.611 -0.321 25776 2415 1 4 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.307 2.784 25776 2416 1 4 . 1 1 9 9 ILE H H 9 8.628 8.628 8.666 -0.038 25776 2417 1 4 . 1 1 10 10 ARG N N 10 125.025 125.025 124.810 0.215 25776 2418 1 4 . 1 1 10 10 ARG C C 10 175.074 175.074 175.329 -0.255 25776 2419 1 4 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.910 0.584 25776 2420 1 4 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.706 -0.934 25776 2421 1 4 . 1 1 10 10 ARG H H 10 9.225 9.225 9.130 0.095 25776 2422 1 4 . 1 1 11 11 GLY N N 11 106.141 106.141 106.595 -0.454 25776 2423 1 4 . 1 1 11 11 GLY C C 11 171.959 171.959 172.505 -0.546 25776 2424 1 4 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.714 -0.507 25776 2425 1 4 . 1 1 11 11 GLY H H 11 8.885 8.885 8.188 0.697 25776 2426 1 4 . 1 1 12 12 GLY N N 12 107.818 107.818 108.309 -0.491 25776 2427 1 4 . 1 1 12 12 GLY C C 12 171.465 171.465 171.912 -0.447 25776 2428 1 4 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.202 3.111 25776 2429 1 4 . 1 1 12 12 GLY H H 12 8.433 8.433 7.683 0.750 25776 2430 1 4 . 1 1 13 13 PHE N N 13 120.233 120.233 118.293 1.940 25776 2431 1 4 . 1 1 13 13 PHE C C 13 174.056 174.056 175.704 -1.648 25776 2432 1 4 . 1 1 13 13 PHE CA C 13 57.151 57.151 59.425 -2.274 25776 2433 1 4 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.988 1.637 25776 2434 1 4 . 1 1 13 13 PHE H H 13 8.606 8.606 8.498 0.108 25776 2435 1 4 . 1 1 18 18 PRO C C 18 176.552 176.552 175.792 0.760 25776 2436 1 4 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.297 0.794 25776 2437 1 4 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.292 1.357 25776 2438 1 4 . 1 1 19 19 ASP N N 19 121.094 121.094 118.739 2.355 25776 2439 1 4 . 1 1 19 19 ASP C C 19 176.047 176.047 175.386 0.661 25776 2440 1 4 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.368 0.906 25776 2441 1 4 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.126 0.917 25776 2442 1 4 . 1 1 19 19 ASP H H 19 8.372 8.372 8.269 0.103 25776 2443 1 4 . 1 1 20 20 ASP N N 20 123.179 123.179 119.562 3.617 25776 2444 1 4 . 1 1 20 20 ASP C C 20 176.790 176.790 176.858 -0.068 25776 2445 1 4 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.481 0.614 25776 2446 1 4 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.313 0.521 25776 2447 1 4 . 1 1 20 20 ASP H H 20 8.357 8.357 8.236 0.121 25776 2448 1 4 . 1 1 21 21 SER N N 21 117.319 117.319 116.402 0.917 25776 2449 1 4 . 1 1 21 21 SER C C 21 175.218 175.218 174.485 0.733 25776 2450 1 4 . 1 1 21 21 SER CA C 21 60.134 60.134 58.709 1.425 25776 2451 1 4 . 1 1 21 21 SER CB C 21 64.701 64.701 63.536 1.165 25776 2452 1 4 . 1 1 21 21 SER H H 21 8.398 8.398 7.996 0.402 25776 2453 1 4 . 1 1 22 22 SER N N 22 117.994 117.994 123.297 -5.303 25776 2454 1 4 . 1 1 22 22 SER C C 22 174.877 174.877 174.020 0.857 25776 2455 1 4 . 1 1 22 22 SER CA C 22 59.839 59.839 57.478 2.361 25776 2456 1 4 . 1 1 22 22 SER CB C 22 64.669 64.669 64.178 0.491 25776 2457 1 4 . 1 1 22 22 SER H H 22 8.314 8.314 8.286 0.028 25776 2458 1 4 . 1 1 23 23 SER N N 23 117.809 117.809 115.919 1.890 25776 2459 1 4 . 1 1 23 23 SER C C 23 174.298 174.298 172.440 1.858 25776 2460 1 4 . 1 1 23 23 SER CA C 23 59.629 59.629 57.850 1.778 25776 2461 1 4 . 1 1 23 23 SER CB C 23 64.802 64.802 64.837 -0.035 25776 2462 1 4 . 1 1 23 23 SER H H 23 8.143 8.143 8.007 0.136 25776 2463 1 4 . 1 1 24 24 ASP N N 24 122.829 122.829 122.061 0.768 25776 2464 1 4 . 1 1 24 24 ASP C C 24 176.250 176.250 175.932 0.318 25776 2465 1 4 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.944 1.549 25776 2466 1 4 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.433 0.408 25776 2467 1 4 . 1 1 24 24 ASP H H 24 8.234 8.234 8.472 -0.238 25776 2468 1 4 . 1 1 25 25 ILE N N 25 120.717 120.717 119.432 1.285 25776 2469 1 4 . 1 1 25 25 ILE C C 25 176.204 176.204 174.777 1.427 25776 2470 1 4 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.803 0.753 25776 2471 1 4 . 1 1 25 25 ILE CB C 25 39.668 39.668 39.073 0.595 25776 2472 1 4 . 1 1 25 25 ILE H H 25 7.884 7.884 7.538 0.346 25776 2473 1 4 . 1 1 26 26 LYS N N 26 124.527 124.527 119.087 5.440 25776 2474 1 4 . 1 1 26 26 LYS C C 26 176.616 176.616 175.215 1.401 25776 2475 1 4 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.328 0.864 25776 2476 1 4 . 1 1 26 26 LYS CB C 26 33.809 33.809 31.631 2.178 25776 2477 1 4 . 1 1 26 26 LYS H H 26 8.164 8.164 7.962 0.202 25776 2478 1 4 . 1 1 27 27 LEU N N 27 123.292 123.292 124.550 -1.258 25776 2479 1 4 . 1 1 27 27 LEU C C 27 177.077 177.077 175.728 1.349 25776 2480 1 4 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.506 1.667 25776 2481 1 4 . 1 1 27 27 LEU CB C 27 43.317 43.317 40.671 2.646 25776 2482 1 4 . 1 1 27 27 LEU H H 27 8.100 8.100 8.570 -0.470 25776 2483 1 4 . 1 1 28 28 ASP N N 28 121.059 121.059 122.570 -1.511 25776 2484 1 4 . 1 1 28 28 ASP C C 28 176.929 176.929 176.615 0.314 25776 2485 1 4 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.364 1.984 25776 2486 1 4 . 1 1 28 28 ASP CB C 28 42.075 42.075 43.028 -0.953 25776 2487 1 4 . 1 1 28 28 ASP H H 28 8.209 8.209 8.246 -0.037 25776 2488 1 4 . 1 1 29 29 GLY N N 29 110.032 110.032 109.450 0.582 25776 2489 1 4 . 1 1 29 29 GLY C C 29 174.364 174.364 173.829 0.535 25776 2490 1 4 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.736 2.142 25776 2491 1 4 . 1 1 29 29 GLY H H 29 8.274 8.274 8.556 -0.282 25776 2492 1 4 . 1 1 30 30 ALA N N 30 124.102 124.102 124.284 -0.182 25776 2493 1 4 . 1 1 30 30 ALA C C 30 178.005 178.005 175.968 2.037 25776 2494 1 4 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.613 2.211 25776 2495 1 4 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.602 -0.475 25776 2496 1 4 . 1 1 30 30 ALA H H 30 8.085 8.085 7.654 0.431 25776 2497 1 4 . 1 1 31 31 LYS N N 31 119.810 119.810 118.504 1.306 25776 2498 1 4 . 1 1 31 31 LYS C C 31 176.650 176.650 175.538 1.112 25776 2499 1 4 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.682 0.790 25776 2500 1 4 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.358 0.590 25776 2501 1 4 . 1 1 31 31 LYS H H 31 8.075 8.075 8.540 -0.465 25776 2502 1 4 . 1 1 32 32 GLN N N 32 121.045 121.045 120.540 0.505 25776 2503 1 4 . 1 1 32 32 GLN C C 32 175.862 175.862 176.898 -1.036 25776 2504 1 4 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.798 1.141 25776 2505 1 4 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.846 0.347 25776 2506 1 4 . 1 1 32 32 GLN H H 32 8.182 8.182 8.237 -0.055 25776 2507 1 4 . 1 1 33 33 ARG N N 33 122.683 122.683 122.164 0.519 25776 2508 1 4 . 1 1 33 33 ARG C C 33 176.492 176.492 175.570 0.922 25776 2509 1 4 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.795 0.286 25776 2510 1 4 . 1 1 33 33 ARG CB C 33 31.952 31.952 29.476 2.476 25776 2511 1 4 . 1 1 33 33 ARG H H 33 8.288 8.288 8.917 -0.629 25776 2512 1 4 . 1 1 36 36 LYS C C 36 176.028 176.028 175.302 0.726 25776 2513 1 4 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.285 0.938 25776 2514 1 4 . 1 1 36 36 LYS CB C 36 34.262 34.262 31.641 2.621 25776 2515 1 4 . 1 1 37 37 ALA N N 37 125.793 125.793 122.804 2.989 25776 2516 1 4 . 1 1 37 37 ALA C C 37 177.567 177.567 176.160 1.407 25776 2517 1 4 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.412 1.156 25776 2518 1 4 . 1 1 37 37 ALA CB C 37 20.408 20.408 18.799 1.609 25776 2519 1 4 . 1 1 37 37 ALA H H 37 8.329 8.329 7.499 0.830 25776 2520 1 4 . 1 1 38 38 THR N N 38 113.398 113.398 116.382 -2.984 25776 2521 1 4 . 1 1 38 38 THR C C 38 174.556 174.556 174.474 0.082 25776 2522 1 4 . 1 1 38 38 THR CA C 38 62.551 62.551 62.336 0.215 25776 2523 1 4 . 1 1 38 38 THR CB C 38 71.054 71.054 69.574 1.480 25776 2524 1 4 . 1 1 38 38 THR H H 38 8.007 8.007 8.270 -0.263 25776 2525 1 4 . 1 1 39 39 VAL N N 39 120.865 120.865 123.268 -2.403 25776 2526 1 4 . 1 1 39 39 VAL C C 39 175.523 175.523 175.038 0.485 25776 2527 1 4 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.434 0.666 25776 2528 1 4 . 1 1 39 39 VAL CB C 39 34.044 34.044 33.339 0.705 25776 2529 1 4 . 1 1 39 39 VAL H H 39 8.043 8.043 8.413 -0.370 25776 2530 1 4 . 1 1 40 40 ASP N N 40 124.053 124.053 123.121 0.932 25776 2531 1 4 . 1 1 40 40 ASP C C 40 176.132 176.132 175.517 0.615 25776 2532 1 4 . 1 1 40 40 ASP CA C 40 55.281 55.281 55.473 -0.192 25776 2533 1 4 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.713 1.506 25776 2534 1 4 . 1 1 40 40 ASP H H 40 8.333 8.333 8.304 0.029 25776 2535 1 4 . 1 1 41 41 SER N N 41 115.655 115.655 120.265 -4.610 25776 2536 1 4 . 1 1 41 41 SER C C 41 174.147 174.147 172.496 1.651 25776 2537 1 4 . 1 1 41 41 SER CA C 41 59.367 59.367 58.567 0.800 25776 2538 1 4 . 1 1 41 41 SER CB C 41 65.027 65.027 64.819 0.208 25776 2539 1 4 . 1 1 41 41 SER H H 41 8.142 8.142 8.439 -0.297 25776 2540 1 4 . 1 1 42 42 ASP N N 42 123.005 123.005 122.389 0.616 25776 2541 1 4 . 1 1 42 42 ASP C C 42 176.578 176.578 176.018 0.560 25776 2542 1 4 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.194 1.245 25776 2543 1 4 . 1 1 42 42 ASP CB C 42 42.404 42.404 43.235 -0.831 25776 2544 1 4 . 1 1 42 42 ASP H H 42 8.433 8.433 8.158 0.275 25776 2545 1 4 . 1 1 43 43 THR C C 43 176.244 176.244 174.947 1.297 25776 2546 1 4 . 1 1 43 43 THR CA C 43 62.772 62.772 62.268 0.504 25776 2547 1 4 . 1 1 43 43 THR CB C 43 71.018 71.018 70.027 0.991 25776 2548 1 4 . 1 1 44 44 GLN N N 44 123.824 123.824 120.836 2.988 25776 2549 1 4 . 1 1 44 44 GLN C C 44 177.061 177.061 173.758 3.303 25776 2550 1 4 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.090 2.189 25776 2551 1 4 . 1 1 44 44 GLN CB C 44 33.662 33.662 31.165 2.497 25776 2552 1 4 . 1 1 44 44 GLN H H 44 8.270 8.270 8.413 -0.143 25776 2553 1 4 . 1 1 45 45 LEU N N 45 122.159 122.159 122.223 -0.064 25776 2554 1 4 . 1 1 45 45 LEU C C 45 176.419 176.419 175.756 0.663 25776 2555 1 4 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.674 2.444 25776 2556 1 4 . 1 1 45 45 LEU CB C 45 42.621 42.621 45.318 -2.697 25776 2557 1 4 . 1 1 45 45 LEU H H 45 7.940 7.940 8.637 -0.697 25776 2558 1 4 . 1 1 46 46 GLY N N 46 107.861 107.861 107.866 -0.005 25776 2559 1 4 . 1 1 46 46 GLY C C 46 171.538 171.538 171.997 -0.459 25776 2560 1 4 . 1 1 46 46 GLY CA C 46 44.775 44.775 43.892 0.883 25776 2561 1 4 . 1 1 46 46 GLY H H 46 8.566 8.566 7.992 0.574 25776 2562 1 4 . 1 1 47 47 LEU N N 47 122.959 122.959 123.407 -0.448 25776 2563 1 4 . 1 1 47 47 LEU C C 47 175.422 175.422 175.425 -0.003 25776 2564 1 4 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.112 0.219 25776 2565 1 4 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.694 1.649 25776 2566 1 4 . 1 1 47 47 LEU H H 47 8.457 8.457 8.603 -0.146 25776 2567 1 4 . 1 1 48 48 THR N N 48 112.144 112.144 113.541 -1.397 25776 2568 1 4 . 1 1 48 48 THR C C 48 172.347 172.347 173.563 -1.216 25776 2569 1 4 . 1 1 48 48 THR CA C 48 59.573 59.573 60.468 -0.895 25776 2570 1 4 . 1 1 48 48 THR CB C 48 72.843 72.843 71.627 1.216 25776 2571 1 4 . 1 1 48 48 THR H H 48 8.814 8.814 8.938 -0.124 25776 2572 1 4 . 1 1 49 49 PHE N N 49 118.787 118.787 122.703 -3.916 25776 2573 1 4 . 1 1 49 49 PHE C C 49 174.623 174.623 175.283 -0.660 25776 2574 1 4 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.952 -1.215 25776 2575 1 4 . 1 1 49 49 PHE CB C 49 42.986 42.986 40.990 1.996 25776 2576 1 4 . 1 1 49 49 PHE H H 49 8.455 8.455 8.667 -0.212 25776 2577 1 4 . 1 1 50 50 THR N N 50 121.279 121.279 121.414 -0.135 25776 2578 1 4 . 1 1 50 50 THR C C 50 173.272 173.272 172.953 0.319 25776 2579 1 4 . 1 1 50 50 THR CA C 50 63.315 63.315 61.268 2.047 25776 2580 1 4 . 1 1 50 50 THR CB C 50 74.327 74.327 70.596 3.731 25776 2581 1 4 . 1 1 50 50 THR H H 50 9.372 9.372 9.233 0.139 25776 2582 1 4 . 1 1 51 51 TYR N N 51 126.005 126.005 128.653 -2.648 25776 2583 1 4 . 1 1 51 51 TYR C C 51 174.837 174.837 174.827 0.010 25776 2584 1 4 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.117 0.743 25776 2585 1 4 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.766 2.681 25776 2586 1 4 . 1 1 51 51 TYR H H 51 9.157 9.157 8.756 0.401 25776 2587 1 4 . 1 1 52 52 MET N N 52 127.601 127.601 126.192 1.409 25776 2588 1 4 . 1 1 52 52 MET C C 52 174.466 174.466 174.474 -0.008 25776 2589 1 4 . 1 1 52 52 MET CA C 52 53.171 53.171 56.896 -3.725 25776 2590 1 4 . 1 1 52 52 MET CB C 52 29.467 29.467 33.413 -3.946 25776 2591 1 4 . 1 1 52 52 MET H H 52 7.998 7.998 8.167 -0.169 25776 2592 1 4 . 1 1 53 53 PHE N N 53 123.918 123.918 125.658 -1.740 25776 2593 1 4 . 1 1 53 53 PHE C C 53 173.685 173.685 173.828 -0.143 25776 2594 1 4 . 1 1 53 53 PHE CA C 53 57.614 57.614 55.683 1.931 25776 2595 1 4 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.751 -3.640 25776 2596 1 4 . 1 1 53 53 PHE H H 53 7.762 7.762 9.408 -1.646 25776 2597 1 4 . 1 1 54 54 ALA N N 54 125.892 125.892 123.905 1.987 25776 2598 1 4 . 1 1 54 54 ALA C C 54 174.976 174.976 177.646 -2.670 25776 2599 1 4 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.361 -1.918 25776 2600 1 4 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.789 4.745 25776 2601 1 4 . 1 1 54 54 ALA H H 54 8.396 8.396 7.630 0.766 25776 2602 1 4 . 1 1 55 55 ASP N N 55 118.951 118.951 117.476 1.475 25776 2603 1 4 . 1 1 55 55 ASP C C 55 174.777 174.777 175.862 -1.085 25776 2604 1 4 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.831 2.308 25776 2605 1 4 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.197 0.751 25776 2606 1 4 . 1 1 55 55 ASP H H 55 8.632 8.632 8.774 -0.142 25776 2607 1 4 . 1 1 56 56 LYS N N 56 106.363 106.363 115.314 -8.951 25776 2608 1 4 . 1 1 56 56 LYS C C 56 174.930 174.930 173.877 1.053 25776 2609 1 4 . 1 1 56 56 LYS CA C 56 55.870 55.870 55.649 0.221 25776 2610 1 4 . 1 1 56 56 LYS CB C 56 35.437 35.437 30.663 4.774 25776 2611 1 4 . 1 1 56 56 LYS H H 56 7.300 7.300 8.293 -0.993 25776 2612 1 4 . 1 1 57 57 TRP N N 57 115.784 115.784 120.808 -5.024 25776 2613 1 4 . 1 1 57 57 TRP C C 57 173.960 173.960 175.696 -1.736 25776 2614 1 4 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.462 -0.505 25776 2615 1 4 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.210 1.966 25776 2616 1 4 . 1 1 57 57 TRP H H 57 6.612 6.612 7.784 -1.172 25776 2617 1 4 . 1 1 58 58 GLY N N 58 107.657 107.657 104.080 3.577 25776 2618 1 4 . 1 1 58 58 GLY C C 58 172.720 172.720 172.621 0.099 25776 2619 1 4 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.524 0.260 25776 2620 1 4 . 1 1 58 58 GLY H H 58 9.271 9.271 8.327 0.944 25776 2621 1 4 . 1 1 59 59 VAL N N 59 118.434 118.434 119.659 -1.225 25776 2622 1 4 . 1 1 59 59 VAL C C 59 172.973 172.973 174.637 -1.664 25776 2623 1 4 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.647 -0.009 25776 2624 1 4 . 1 1 59 59 VAL CB C 59 36.036 36.036 34.114 1.922 25776 2625 1 4 . 1 1 59 59 VAL H H 59 9.080 9.080 8.278 0.802 25776 2626 1 4 . 1 1 60 60 GLU N N 60 127.915 127.915 124.743 3.172 25776 2627 1 4 . 1 1 60 60 GLU C C 60 174.464 174.464 174.298 0.166 25776 2628 1 4 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.798 -1.047 25776 2629 1 4 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.531 2.511 25776 2630 1 4 . 1 1 60 60 GLU H H 60 9.431 9.431 8.830 0.601 25776 2631 1 4 . 1 1 61 61 LEU N N 61 127.764 127.764 127.455 0.309 25776 2632 1 4 . 1 1 61 61 LEU C C 61 174.746 174.746 174.527 0.219 25776 2633 1 4 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.642 0.349 25776 2634 1 4 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.948 0.932 25776 2635 1 4 . 1 1 61 61 LEU H H 61 8.730 8.730 8.513 0.217 25776 2636 1 4 . 1 1 62 62 VAL N N 62 126.465 126.465 123.670 2.795 25776 2637 1 4 . 1 1 62 62 VAL C C 62 174.453 174.453 174.267 0.186 25776 2638 1 4 . 1 1 62 62 VAL CA C 62 62.285 62.285 60.273 2.012 25776 2639 1 4 . 1 1 62 62 VAL CB C 62 35.086 35.086 33.783 1.303 25776 2640 1 4 . 1 1 62 62 VAL H H 62 9.068 9.068 8.371 0.697 25776 2641 1 4 . 1 1 63 63 ALA N N 63 130.444 130.444 127.820 2.624 25776 2642 1 4 . 1 1 63 63 ALA C C 63 174.030 174.030 175.168 -1.138 25776 2643 1 4 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.537 -0.287 25776 2644 1 4 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.370 1.133 25776 2645 1 4 . 1 1 63 63 ALA H H 63 9.124 9.124 8.483 0.641 25776 2646 1 4 . 1 1 64 64 ALA N N 64 121.285 121.285 123.152 -1.867 25776 2647 1 4 . 1 1 64 64 ALA C C 64 176.843 176.843 177.719 -0.876 25776 2648 1 4 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.156 1.014 25776 2649 1 4 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.930 3.242 25776 2650 1 4 . 1 1 64 64 ALA H H 64 7.995 7.995 8.501 -0.506 25776 2651 1 4 . 1 1 65 65 THR N N 65 109.734 109.734 114.399 -4.665 25776 2652 1 4 . 1 1 65 65 THR C C 65 176.739 176.739 173.664 3.075 25776 2653 1 4 . 1 1 65 65 THR CA C 65 61.660 61.660 59.660 2.000 25776 2654 1 4 . 1 1 65 65 THR CB C 65 68.341 68.341 69.322 -0.981 25776 2655 1 4 . 1 1 65 65 THR H H 65 8.108 8.108 8.119 -0.011 25776 2656 1 4 . 1 1 67 67 PHE N N 67 123.676 123.676 125.091 -1.415 25776 2657 1 4 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.741 -0.892 25776 2658 1 4 . 1 1 67 67 PHE H H 67 8.382 8.382 8.341 0.041 25776 2659 1 4 . 1 1 74 74 LYS C C 74 177.704 177.704 176.850 0.854 25776 2660 1 4 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.989 -0.961 25776 2661 1 4 . 1 1 74 74 LYS CB C 74 34.062 34.062 34.087 -0.025 25776 2662 1 4 . 1 1 75 75 GLY N N 75 108.841 108.841 108.817 0.024 25776 2663 1 4 . 1 1 75 75 GLY C C 75 174.405 174.405 172.579 1.826 25776 2664 1 4 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.491 2.221 25776 2665 1 4 . 1 1 75 75 GLY H H 75 8.069 8.069 8.240 -0.171 25776 2666 1 4 . 1 1 76 76 LEU N N 76 120.093 120.093 119.417 0.676 25776 2667 1 4 . 1 1 76 76 LEU C C 76 176.997 176.997 176.676 0.321 25776 2668 1 4 . 1 1 76 76 LEU CA C 76 56.180 56.180 53.852 2.328 25776 2669 1 4 . 1 1 76 76 LEU CB C 76 45.997 45.997 44.329 1.668 25776 2670 1 4 . 1 1 76 76 LEU H H 76 7.623 7.623 9.353 -1.730 25776 2671 1 4 . 1 1 79 79 GLY C C 79 175.675 175.675 174.319 1.356 25776 2672 1 4 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.050 2.049 25776 2673 1 4 . 1 1 80 80 LEU N N 80 130.062 130.062 119.900 10.162 25776 2674 1 4 . 1 1 80 80 LEU C C 80 176.062 176.062 176.463 -0.401 25776 2675 1 4 . 1 1 80 80 LEU CA C 80 55.404 55.404 57.210 -1.806 25776 2676 1 4 . 1 1 80 80 LEU CB C 80 43.006 43.006 41.920 1.086 25776 2677 1 4 . 1 1 80 80 LEU H H 80 9.441 9.441 8.157 1.284 25776 2678 1 4 . 1 1 81 81 ASP N N 81 124.816 124.816 119.905 4.911 25776 2679 1 4 . 1 1 81 81 ASP C C 81 178.992 178.992 175.322 3.670 25776 2680 1 4 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.724 2.045 25776 2681 1 4 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.944 -0.997 25776 2682 1 4 . 1 1 81 81 ASP H H 81 7.854 7.854 8.126 -0.272 25776 2683 1 4 . 1 1 91 91 PRO C C 91 175.297 175.297 175.824 -0.527 25776 2684 1 4 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.385 -0.552 25776 2685 1 4 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.041 1.490 25776 2686 1 4 . 1 1 92 92 ALA N N 92 123.521 123.521 125.405 -1.884 25776 2687 1 4 . 1 1 92 92 ALA C C 92 175.643 175.643 175.002 0.641 25776 2688 1 4 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.626 1.049 25776 2689 1 4 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.387 0.338 25776 2690 1 4 . 1 1 92 92 ALA H H 92 8.829 8.829 7.572 1.257 25776 2691 1 4 . 1 1 93 93 THR N N 93 117.599 117.599 117.780 -0.181 25776 2692 1 4 . 1 1 93 93 THR C C 93 171.440 171.440 173.362 -1.922 25776 2693 1 4 . 1 1 93 93 THR CA C 93 62.066 62.066 61.811 0.255 25776 2694 1 4 . 1 1 93 93 THR CB C 93 72.352 72.352 71.075 1.277 25776 2695 1 4 . 1 1 93 93 THR H H 93 8.237 8.237 8.005 0.232 25776 2696 1 4 . 1 1 94 94 LEU N N 94 129.530 129.530 127.676 1.854 25776 2697 1 4 . 1 1 94 94 LEU C C 94 174.995 174.995 174.626 0.369 25776 2698 1 4 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.519 -0.325 25776 2699 1 4 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.933 2.232 25776 2700 1 4 . 1 1 94 94 LEU H H 94 8.732 8.732 8.145 0.587 25776 2701 1 4 . 1 1 95 95 LEU N N 95 124.181 124.181 121.503 2.678 25776 2702 1 4 . 1 1 95 95 LEU C C 95 175.270 175.270 174.726 0.544 25776 2703 1 4 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.073 1.460 25776 2704 1 4 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.981 0.691 25776 2705 1 4 . 1 1 95 95 LEU H H 95 9.485 9.485 9.070 0.415 25776 2706 1 4 . 1 1 96 96 LEU N N 96 123.444 123.444 120.497 2.947 25776 2707 1 4 . 1 1 96 96 LEU C C 96 174.997 174.997 176.150 -1.153 25776 2708 1 4 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.483 1.830 25776 2709 1 4 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.437 1.712 25776 2710 1 4 . 1 1 96 96 LEU H H 96 8.836 8.836 8.396 0.440 25776 2711 1 4 . 1 1 97 97 GLN N N 97 121.545 121.545 119.238 2.307 25776 2712 1 4 . 1 1 97 97 GLN C C 97 174.324 174.324 175.155 -0.831 25776 2713 1 4 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.437 0.951 25776 2714 1 4 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.637 5.887 25776 2715 1 4 . 1 1 97 97 GLN H H 97 9.566 9.566 9.018 0.547 25776 2716 1 4 . 1 1 98 98 TYR N N 98 122.246 122.246 124.278 -2.032 25776 2717 1 4 . 1 1 98 98 TYR C C 98 173.409 173.409 173.285 0.124 25776 2718 1 4 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.743 -1.088 25776 2719 1 4 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.220 0.988 25776 2720 1 4 . 1 1 98 98 TYR H H 98 9.053 9.053 9.029 0.024 25776 2721 1 4 . 1 1 99 99 TYR N N 99 126.872 126.872 122.947 3.925 25776 2722 1 4 . 1 1 99 99 TYR C C 99 175.310 175.310 173.775 1.535 25776 2723 1 4 . 1 1 99 99 TYR CA C 99 54.756 54.756 53.608 1.148 25776 2724 1 4 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.065 1.570 25776 2725 1 4 . 1 1 99 99 TYR H H 99 8.344 8.344 7.506 0.838 25776 2726 1 4 . 1 1 100 100 PRO C C 100 178.304 178.304 176.848 1.456 25776 2727 1 4 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.243 1.167 25776 2728 1 4 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.079 1.028 25776 2729 1 4 . 1 1 101 101 MET N N 101 114.703 114.703 118.394 -3.691 25776 2730 1 4 . 1 1 101 101 MET C C 101 178.218 178.218 175.390 2.828 25776 2731 1 4 . 1 1 101 101 MET CA C 101 54.147 54.147 54.744 -0.597 25776 2732 1 4 . 1 1 101 101 MET CB C 101 30.956 30.956 32.548 -1.592 25776 2733 1 4 . 1 1 101 101 MET H H 101 9.432 9.432 8.031 1.401 25776 2734 1 4 . 1 1 102 102 GLY N N 102 117.671 117.671 107.073 10.598 25776 2735 1 4 . 1 1 102 102 GLY C C 102 175.611 175.611 173.802 1.809 25776 2736 1 4 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.902 2.550 25776 2737 1 4 . 1 1 102 102 GLY H H 102 8.671 8.671 7.355 1.316 25776 2738 1 4 . 1 1 103 103 GLY N N 103 111.298 111.298 110.674 0.624 25776 2739 1 4 . 1 1 103 103 GLY C C 103 174.054 174.054 173.533 0.521 25776 2740 1 4 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.167 1.653 25776 2741 1 4 . 1 1 103 103 GLY H H 103 9.436 9.436 8.614 0.822 25776 2742 1 4 . 1 1 104 104 THR N N 104 109.330 109.330 114.589 -5.259 25776 2743 1 4 . 1 1 104 104 THR C C 104 174.248 174.248 174.245 0.003 25776 2744 1 4 . 1 1 104 104 THR CA C 104 61.454 61.454 60.529 0.925 25776 2745 1 4 . 1 1 104 104 THR CB C 104 72.711 72.711 69.772 2.939 25776 2746 1 4 . 1 1 104 104 THR H H 104 7.321 7.321 7.514 -0.193 25776 2747 1 4 . 1 1 105 105 ASN C C 105 175.032 175.032 174.749 0.283 25776 2748 1 4 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.281 0.132 25776 2749 1 4 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.460 0.383 25776 2750 1 4 . 1 1 106 106 SER N N 106 113.116 113.116 116.554 -3.438 25776 2751 1 4 . 1 1 106 106 SER C C 106 175.961 175.961 175.226 0.735 25776 2752 1 4 . 1 1 106 106 SER CA C 106 59.289 59.289 57.726 1.563 25776 2753 1 4 . 1 1 106 106 SER CB C 106 65.208 65.208 63.984 1.224 25776 2754 1 4 . 1 1 106 106 SER H H 106 7.487 7.487 7.556 -0.069 25776 2755 1 4 . 1 1 107 107 ALA N N 107 132.317 132.317 127.888 4.429 25776 2756 1 4 . 1 1 107 107 ALA C C 107 176.554 176.554 177.503 -0.949 25776 2757 1 4 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.630 1.369 25776 2758 1 4 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.953 0.577 25776 2759 1 4 . 1 1 107 107 ALA H H 107 8.891 8.891 8.396 0.495 25776 2760 1 4 . 1 1 108 108 PHE N N 108 116.265 116.265 116.146 0.119 25776 2761 1 4 . 1 1 108 108 PHE C C 108 174.254 174.254 174.560 -0.306 25776 2762 1 4 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.794 -0.130 25776 2763 1 4 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.521 0.714 25776 2764 1 4 . 1 1 108 108 PHE H H 108 7.592 7.592 7.429 0.163 25776 2765 1 4 . 1 1 109 109 GLN N N 109 128.401 128.401 121.201 7.200 25776 2766 1 4 . 1 1 109 109 GLN C C 109 172.298 172.298 173.873 -1.575 25776 2767 1 4 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.499 0.438 25776 2768 1 4 . 1 1 109 109 GLN CB C 109 29.980 29.980 31.013 -1.033 25776 2769 1 4 . 1 1 109 109 GLN H H 109 9.095 9.095 8.781 0.314 25776 2770 1 4 . 1 1 110 110 PRO C C 110 175.005 175.005 175.711 -0.706 25776 2771 1 4 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.522 -0.298 25776 2772 1 4 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.538 1.591 25776 2773 1 4 . 1 1 111 111 TYR N N 111 115.731 115.731 118.520 -2.789 25776 2774 1 4 . 1 1 111 111 TYR C C 111 173.783 173.783 174.991 -1.208 25776 2775 1 4 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.756 -0.684 25776 2776 1 4 . 1 1 111 111 TYR CB C 111 39.435 39.435 42.990 -3.555 25776 2777 1 4 . 1 1 111 111 TYR H H 111 8.510 8.510 8.464 0.046 25776 2778 1 4 . 1 1 112 112 GLY N N 112 103.737 103.737 109.200 -5.463 25776 2779 1 4 . 1 1 112 112 GLY C C 112 172.014 172.014 172.480 -0.466 25776 2780 1 4 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.526 1.118 25776 2781 1 4 . 1 1 112 112 GLY H H 112 8.149 8.149 8.884 -0.735 25776 2782 1 4 . 1 1 113 113 GLY N N 113 108.372 108.372 109.213 -0.841 25776 2783 1 4 . 1 1 113 113 GLY C C 113 171.486 171.486 172.626 -1.140 25776 2784 1 4 . 1 1 113 113 GLY CA C 113 46.840 46.840 43.797 3.043 25776 2785 1 4 . 1 1 113 113 GLY H H 113 9.028 9.028 8.527 0.501 25776 2786 1 4 . 1 1 114 114 LEU N N 114 120.469 120.469 121.726 -1.257 25776 2787 1 4 . 1 1 114 114 LEU C C 114 175.878 175.878 174.878 1.000 25776 2788 1 4 . 1 1 114 114 LEU CA C 114 54.611 54.611 55.010 -0.398 25776 2789 1 4 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.747 3.230 25776 2790 1 4 . 1 1 114 114 LEU H H 114 8.741 8.741 7.969 0.772 25776 2791 1 4 . 1 1 115 115 GLY N N 115 111.145 111.145 111.478 -0.333 25776 2792 1 4 . 1 1 115 115 GLY C C 115 171.336 171.336 171.976 -0.640 25776 2793 1 4 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.367 2.488 25776 2794 1 4 . 1 1 115 115 GLY H H 115 8.952 8.952 8.894 0.058 25776 2795 1 4 . 1 1 116 116 VAL N N 116 118.641 118.641 114.320 4.321 25776 2796 1 4 . 1 1 116 116 VAL C C 116 172.617 172.617 173.867 -1.250 25776 2797 1 4 . 1 1 116 116 VAL CA C 116 60.716 60.716 58.851 1.865 25776 2798 1 4 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.757 2.615 25776 2799 1 4 . 1 1 116 116 VAL H H 116 8.844 8.844 8.023 0.821 25776 2800 1 4 . 1 1 117 117 ASN N N 117 123.839 123.839 120.029 3.810 25776 2801 1 4 . 1 1 117 117 ASN C C 117 171.105 171.105 173.662 -2.557 25776 2802 1 4 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.368 0.574 25776 2803 1 4 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.795 1.783 25776 2804 1 4 . 1 1 117 117 ASN H H 117 9.647 9.647 8.401 1.246 25776 2805 1 4 . 1 1 118 118 TYR N N 118 125.160 125.160 121.393 3.767 25776 2806 1 4 . 1 1 118 118 TYR C C 118 174.349 174.349 174.083 0.266 25776 2807 1 4 . 1 1 118 118 TYR CA C 118 56.557 56.557 55.484 1.073 25776 2808 1 4 . 1 1 118 118 TYR CB C 118 42.564 42.564 39.642 2.922 25776 2809 1 4 . 1 1 118 118 TYR H H 118 8.989 8.989 7.686 1.303 25776 2810 1 4 . 1 1 119 119 THR N N 119 124.319 124.319 115.607 8.712 25776 2811 1 4 . 1 1 119 119 THR C C 119 171.231 171.231 173.907 -2.676 25776 2812 1 4 . 1 1 119 119 THR CA C 119 62.951 62.951 61.252 1.699 25776 2813 1 4 . 1 1 119 119 THR CB C 119 72.427 72.427 70.972 1.455 25776 2814 1 4 . 1 1 119 119 THR H H 119 8.806 8.806 8.487 0.319 25776 2815 1 4 . 1 1 120 120 THR N N 120 119.978 119.978 121.142 -1.164 25776 2816 1 4 . 1 1 120 120 THR C C 120 171.174 171.174 174.140 -2.966 25776 2817 1 4 . 1 1 120 120 THR CA C 120 59.197 59.197 61.787 -2.590 25776 2818 1 4 . 1 1 120 120 THR CB C 120 72.088 72.088 69.470 2.618 25776 2819 1 4 . 1 1 120 120 THR H H 120 7.559 7.559 8.641 -1.082 25776 2820 1 4 . 1 1 121 121 PHE C C 121 175.289 175.289 174.246 1.043 25776 2821 1 4 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.068 3.301 25776 2822 1 4 . 1 1 122 122 PHE N N 122 117.578 117.578 126.360 -8.782 25776 2823 1 4 . 1 1 122 122 PHE C C 122 172.555 172.555 173.524 -0.969 25776 2824 1 4 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.905 -1.021 25776 2825 1 4 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.904 -0.673 25776 2826 1 4 . 1 1 122 122 PHE H H 122 8.541 8.541 7.943 0.598 25776 2827 1 4 . 1 1 123 123 ASP N N 123 116.448 116.448 125.418 -8.970 25776 2828 1 4 . 1 1 123 123 ASP C C 123 175.240 175.240 174.254 0.986 25776 2829 1 4 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.995 1.839 25776 2830 1 4 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.236 -2.392 25776 2831 1 4 . 1 1 123 123 ASP H H 123 8.940 8.940 7.817 1.123 25776 2832 1 4 . 1 1 124 124 GLU C C 124 177.545 177.545 176.213 1.332 25776 2833 1 4 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.222 3.668 25776 2834 1 4 . 1 1 124 124 GLU CB C 124 29.458 29.458 31.132 -1.674 25776 2835 1 4 . 1 1 125 125 ASP N N 125 126.424 126.424 123.604 2.820 25776 2836 1 4 . 1 1 125 125 ASP C C 125 176.191 176.191 175.155 1.036 25776 2837 1 4 . 1 1 125 125 ASP CA C 125 54.011 54.011 53.950 0.061 25776 2838 1 4 . 1 1 125 125 ASP CB C 125 43.549 43.549 40.614 2.935 25776 2839 1 4 . 1 1 125 125 ASP H H 125 9.100 9.100 8.527 0.573 25776 2840 1 4 . 1 1 126 126 LEU N N 126 127.990 127.990 120.427 7.563 25776 2841 1 4 . 1 1 126 126 LEU C C 126 175.808 175.808 175.305 0.503 25776 2842 1 4 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.804 1.464 25776 2843 1 4 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.741 3.115 25776 2844 1 4 . 1 1 126 126 LEU H H 126 8.570 8.570 7.520 1.050 25776 2845 1 4 . 1 1 127 127 ALA N N 127 124.126 124.126 124.901 -0.775 25776 2846 1 4 . 1 1 127 127 ALA C C 127 179.833 179.833 177.081 2.752 25776 2847 1 4 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.908 0.813 25776 2848 1 4 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.986 0.073 25776 2849 1 4 . 1 1 127 127 ALA H H 127 7.885 7.885 8.044 -0.159 25776 2850 1 4 . 1 1 129 129 ASN C C 129 176.927 176.927 176.119 0.808 25776 2851 1 4 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.140 -1.667 25776 2852 1 4 . 1 1 130 130 ARG N N 130 117.748 117.748 120.604 -2.856 25776 2853 1 4 . 1 1 130 130 ARG C C 130 179.430 179.430 177.734 1.696 25776 2854 1 4 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.468 -2.625 25776 2855 1 4 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.328 -0.002 25776 2856 1 4 . 1 1 130 130 ARG H H 130 7.435 7.435 8.448 -1.013 25776 2857 1 4 . 1 1 131 131 LYS N N 131 122.261 122.261 118.939 3.322 25776 2858 1 4 . 1 1 131 131 LYS C C 131 180.937 180.937 178.613 2.324 25776 2859 1 4 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.526 1.935 25776 2860 1 4 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.919 0.992 25776 2861 1 4 . 1 1 131 131 LYS H H 131 7.945 7.945 8.412 -0.467 25776 2862 1 4 . 1 1 132 132 ALA N N 132 122.083 122.083 120.255 1.828 25776 2863 1 4 . 1 1 132 132 ALA C C 132 178.748 178.748 179.625 -0.877 25776 2864 1 4 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.545 0.824 25776 2865 1 4 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.230 0.899 25776 2866 1 4 . 1 1 132 132 ALA H H 132 7.770 7.770 7.934 -0.164 25776 2867 1 4 . 1 1 133 133 GLN N N 133 116.102 116.102 117.405 -1.303 25776 2868 1 4 . 1 1 133 133 GLN C C 133 175.525 175.525 177.368 -1.843 25776 2869 1 4 . 1 1 133 133 GLN CA C 133 57.098 57.098 57.290 -0.192 25776 2870 1 4 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.171 1.184 25776 2871 1 4 . 1 1 133 133 GLN H H 133 7.302 7.302 7.737 -0.435 25776 2872 1 4 . 1 1 134 134 GLY N N 134 104.444 104.444 107.362 -2.918 25776 2873 1 4 . 1 1 134 134 GLY C C 134 174.460 174.460 174.531 -0.071 25776 2874 1 4 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.507 0.375 25776 2875 1 4 . 1 1 134 134 GLY H H 134 7.596 7.596 7.803 -0.207 25776 2876 1 4 . 1 1 135 135 PHE N N 135 119.775 119.775 119.666 0.109 25776 2877 1 4 . 1 1 135 135 PHE C C 135 174.922 174.922 174.573 0.349 25776 2878 1 4 . 1 1 135 135 PHE CA C 135 58.894 58.894 57.091 1.803 25776 2879 1 4 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.596 0.695 25776 2880 1 4 . 1 1 135 135 PHE H H 135 7.737 7.737 8.064 -0.327 25776 2881 1 4 . 1 1 136 136 SER N N 136 115.673 115.673 120.056 -4.383 25776 2882 1 4 . 1 1 136 136 SER C C 136 174.415 174.415 173.702 0.713 25776 2883 1 4 . 1 1 136 136 SER CA C 136 59.679 59.679 58.651 1.028 25776 2884 1 4 . 1 1 136 136 SER CB C 136 66.246 66.246 63.986 2.260 25776 2885 1 4 . 1 1 136 136 SER H H 136 8.862 8.862 8.475 0.387 25776 2886 1 4 . 1 1 137 137 SER N N 137 114.341 114.341 114.816 -0.475 25776 2887 1 4 . 1 1 137 137 SER C C 137 172.164 172.164 172.805 -0.641 25776 2888 1 4 . 1 1 137 137 SER CA C 137 58.955 58.955 57.595 1.360 25776 2889 1 4 . 1 1 137 137 SER CB C 137 65.592 65.592 64.863 0.729 25776 2890 1 4 . 1 1 137 137 SER H H 137 7.912 7.912 7.375 0.537 25776 2891 1 4 . 1 1 138 138 MET N N 138 120.555 120.555 119.597 0.958 25776 2892 1 4 . 1 1 138 138 MET C C 138 173.189 173.189 174.886 -1.697 25776 2893 1 4 . 1 1 138 138 MET CA C 138 55.879 55.879 55.145 0.734 25776 2894 1 4 . 1 1 138 138 MET CB C 138 36.962 36.962 33.469 3.493 25776 2895 1 4 . 1 1 138 138 MET H H 138 8.461 8.461 8.374 0.087 25776 2896 1 4 . 1 1 141 141 GLN C C 141 176.182 176.182 175.732 0.450 25776 2897 1 4 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.455 1.980 25776 2898 1 4 . 1 1 142 142 ASP N N 142 124.414 124.414 123.452 0.962 25776 2899 1 4 . 1 1 142 142 ASP C C 142 175.702 175.702 174.909 0.793 25776 2900 1 4 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.496 1.811 25776 2901 1 4 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.910 -0.173 25776 2902 1 4 . 1 1 142 142 ASP H H 142 8.728 8.728 8.727 0.001 25776 2903 1 4 . 1 1 143 143 SER N N 143 114.920 114.920 118.298 -3.378 25776 2904 1 4 . 1 1 143 143 SER C C 143 172.289 172.289 173.024 -0.735 25776 2905 1 4 . 1 1 143 143 SER CA C 143 57.652 57.652 57.849 -0.197 25776 2906 1 4 . 1 1 143 143 SER CB C 143 66.215 66.215 64.373 1.842 25776 2907 1 4 . 1 1 143 143 SER H H 143 8.703 8.703 8.200 0.503 25776 2908 1 4 . 1 1 144 144 TRP N N 144 126.444 126.444 124.279 2.165 25776 2909 1 4 . 1 1 144 144 TRP C C 144 177.307 177.307 175.443 1.864 25776 2910 1 4 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.124 1.751 25776 2911 1 4 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.569 2.795 25776 2912 1 4 . 1 1 144 144 TRP H H 144 8.101 8.101 7.718 0.383 25776 2913 1 4 . 1 1 145 145 GLY N N 145 108.757 108.757 109.135 -0.378 25776 2914 1 4 . 1 1 145 145 GLY C C 145 171.985 171.985 172.703 -0.718 25776 2915 1 4 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.677 2.871 25776 2916 1 4 . 1 1 145 145 GLY H H 145 8.889 8.889 8.694 0.195 25776 2917 1 4 . 1 1 146 146 LEU N N 146 121.579 121.579 120.858 0.721 25776 2918 1 4 . 1 1 146 146 LEU C C 146 174.909 174.909 176.309 -1.400 25776 2919 1 4 . 1 1 146 146 LEU CA C 146 56.175 56.175 55.537 0.638 25776 2920 1 4 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.317 1.846 25776 2921 1 4 . 1 1 146 146 LEU H H 146 9.035 9.035 8.432 0.603 25776 2922 1 4 . 1 1 147 147 ALA N N 147 121.342 121.342 127.290 -5.948 25776 2923 1 4 . 1 1 147 147 ALA C C 147 175.588 175.588 176.001 -0.413 25776 2924 1 4 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.172 0.762 25776 2925 1 4 . 1 1 147 147 ALA CB C 147 25.105 25.105 23.086 2.019 25776 2926 1 4 . 1 1 147 147 ALA H H 147 8.123 8.123 9.040 -0.917 25776 2927 1 4 . 1 1 148 148 GLY N N 148 106.598 106.598 107.730 -1.132 25776 2928 1 4 . 1 1 148 148 GLY C C 148 171.829 171.829 171.170 0.659 25776 2929 1 4 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.616 -0.868 25776 2930 1 4 . 1 1 148 148 GLY H H 148 9.216 9.216 7.965 1.251 25776 2931 1 4 . 1 1 149 149 GLU N N 149 122.775 122.775 119.384 3.391 25776 2932 1 4 . 1 1 149 149 GLU C C 149 174.078 174.078 174.020 0.058 25776 2933 1 4 . 1 1 149 149 GLU CA C 149 55.802 55.802 54.648 1.154 25776 2934 1 4 . 1 1 149 149 GLU CB C 149 38.415 38.415 32.701 5.714 25776 2935 1 4 . 1 1 149 149 GLU H H 149 8.493 8.493 7.804 0.689 25776 2936 1 4 . 1 1 150 150 LEU N N 150 126.310 126.310 125.336 0.974 25776 2937 1 4 . 1 1 150 150 LEU C C 150 174.309 174.309 174.957 -0.648 25776 2938 1 4 . 1 1 150 150 LEU CA C 150 54.942 54.942 53.964 0.978 25776 2939 1 4 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.374 3.117 25776 2940 1 4 . 1 1 150 150 LEU H H 150 8.580 8.580 7.943 0.637 25776 2941 1 4 . 1 1 151 151 GLY N N 151 109.909 109.909 113.014 -3.105 25776 2942 1 4 . 1 1 151 151 GLY C C 151 170.538 170.538 172.057 -1.519 25776 2943 1 4 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.017 0.603 25776 2944 1 4 . 1 1 151 151 GLY H H 151 8.115 8.115 8.348 -0.233 25776 2945 1 4 . 1 1 152 152 PHE N N 152 111.012 111.012 114.955 -3.943 25776 2946 1 4 . 1 1 152 152 PHE C C 152 171.455 171.455 173.125 -1.670 25776 2947 1 4 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.154 2.558 25776 2948 1 4 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.289 0.206 25776 2949 1 4 . 1 1 152 152 PHE H H 152 8.365 8.365 8.843 -0.478 25776 2950 1 4 . 1 1 153 153 ASP N N 153 119.057 119.057 121.636 -2.579 25776 2951 1 4 . 1 1 153 153 ASP C C 153 176.522 176.522 175.056 1.466 25776 2952 1 4 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.498 -0.032 25776 2953 1 4 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.810 1.287 25776 2954 1 4 . 1 1 153 153 ASP H H 153 8.014 8.014 8.989 -0.975 25776 2955 1 4 . 1 1 154 154 TYR N N 154 123.640 123.640 126.603 -2.963 25776 2956 1 4 . 1 1 154 154 TYR C C 154 175.593 175.593 175.244 0.349 25776 2957 1 4 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.986 0.902 25776 2958 1 4 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.950 3.872 25776 2959 1 4 . 1 1 154 154 TYR H H 154 9.744 9.744 7.943 1.801 25776 2960 1 4 . 1 1 155 155 MET N N 155 126.409 126.409 120.715 5.694 25776 2961 1 4 . 1 1 155 155 MET C C 155 174.938 174.938 175.210 -0.272 25776 2962 1 4 . 1 1 155 155 MET CA C 155 55.410 55.410 55.944 -0.534 25776 2963 1 4 . 1 1 155 155 MET CB C 155 29.170 29.170 33.102 -3.932 25776 2964 1 4 . 1 1 155 155 MET H H 155 8.659 8.659 7.928 0.731 25776 2965 1 4 . 1 1 156 156 LEU N N 156 125.396 125.396 124.535 0.861 25776 2966 1 4 . 1 1 156 156 LEU C C 156 177.567 177.567 177.769 -0.202 25776 2967 1 4 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.144 1.429 25776 2968 1 4 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.283 0.629 25776 2969 1 4 . 1 1 156 156 LEU H H 156 9.232 9.232 8.236 0.996 25776 2970 1 4 . 1 1 157 157 ASN N N 157 114.903 114.903 113.318 1.585 25776 2971 1 4 . 1 1 157 157 ASN C C 157 173.568 173.568 175.401 -1.833 25776 2972 1 4 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.057 -1.865 25776 2973 1 4 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.832 0.079 25776 2974 1 4 . 1 1 157 157 ASN H H 157 8.099 8.099 7.925 0.174 25776 2975 1 4 . 1 1 158 158 GLU N N 158 114.724 114.724 117.615 -2.891 25776 2976 1 4 . 1 1 158 158 GLU C C 158 176.032 176.032 177.531 -1.499 25776 2977 1 4 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.214 2.464 25776 2978 1 4 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.379 0.136 25776 2979 1 4 . 1 1 158 158 GLU H H 158 8.625 8.625 8.554 0.071 25776 2980 1 4 . 1 1 159 159 HIS N N 159 111.022 111.022 114.475 -3.453 25776 2981 1 4 . 1 1 159 159 HIS C C 159 173.158 173.158 174.319 -1.161 25776 2982 1 4 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.178 1.258 25776 2983 1 4 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.833 1.559 25776 2984 1 4 . 1 1 159 159 HIS H H 159 8.201 8.201 7.743 0.458 25776 2985 1 4 . 1 1 160 160 ALA N N 160 122.967 122.967 120.747 2.220 25776 2986 1 4 . 1 1 160 160 ALA C C 160 176.212 176.212 174.947 1.265 25776 2987 1 4 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.321 1.002 25776 2988 1 4 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.442 1.984 25776 2989 1 4 . 1 1 160 160 ALA H H 160 8.389 8.389 6.889 1.500 25776 2990 1 4 . 1 1 161 161 LEU N N 161 116.648 116.648 117.275 -0.627 25776 2991 1 4 . 1 1 161 161 LEU C C 161 174.922 174.922 175.808 -0.886 25776 2992 1 4 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.535 1.350 25776 2993 1 4 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.913 1.582 25776 2994 1 4 . 1 1 161 161 LEU H H 161 8.616 8.616 7.982 0.634 25776 2995 1 4 . 1 1 162 162 PHE N N 162 121.938 121.938 119.603 2.335 25776 2996 1 4 . 1 1 162 162 PHE C C 162 171.989 171.989 174.445 -2.456 25776 2997 1 4 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.407 -0.390 25776 2998 1 4 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.874 1.215 25776 2999 1 4 . 1 1 162 162 PHE H H 162 9.221 9.221 8.583 0.638 25776 3000 1 4 . 1 1 163 163 ASN N N 163 127.932 127.932 123.119 4.813 25776 3001 1 4 . 1 1 163 163 ASN C C 163 171.357 171.357 173.552 -2.195 25776 3002 1 4 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.443 0.506 25776 3003 1 4 . 1 1 163 163 ASN CB C 163 47.040 47.040 40.693 6.347 25776 3004 1 4 . 1 1 163 163 ASN H H 163 7.735 7.735 8.470 -0.735 25776 3005 1 4 . 1 1 164 164 MET N N 164 120.121 120.121 124.855 -4.734 25776 3006 1 4 . 1 1 164 164 MET C C 164 172.837 172.837 173.505 -0.668 25776 3007 1 4 . 1 1 164 164 MET CA C 164 55.914 55.914 54.386 1.528 25776 3008 1 4 . 1 1 164 164 MET CB C 164 38.643 38.643 36.089 2.554 25776 3009 1 4 . 1 1 164 164 MET H H 164 7.092 7.092 8.917 -1.825 25776 3010 1 4 . 1 1 165 165 ALA N N 165 120.745 120.745 124.044 -3.299 25776 3011 1 4 . 1 1 165 165 ALA C C 165 174.047 174.047 174.369 -0.322 25776 3012 1 4 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.374 1.040 25776 3013 1 4 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.972 0.171 25776 3014 1 4 . 1 1 165 165 ALA H H 165 8.370 8.370 9.081 -0.711 25776 3015 1 4 . 1 1 166 166 VAL N N 166 118.385 118.385 119.291 -0.906 25776 3016 1 4 . 1 1 166 166 VAL C C 166 172.556 172.556 175.022 -2.466 25776 3017 1 4 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.051 -1.423 25776 3018 1 4 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.789 3.338 25776 3019 1 4 . 1 1 166 166 VAL H H 166 8.723 8.723 7.966 0.757 25776 3020 1 4 . 1 1 167 167 TRP N N 167 123.258 123.258 127.951 -4.693 25776 3021 1 4 . 1 1 167 167 TRP C C 167 174.016 174.016 175.545 -1.529 25776 3022 1 4 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.899 0.705 25776 3023 1 4 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.100 1.559 25776 3024 1 4 . 1 1 167 167 TRP H H 167 9.312 9.312 8.626 0.686 25776 3025 1 4 . 1 1 168 168 TYR N N 168 121.455 121.455 122.725 -1.270 25776 3026 1 4 . 1 1 168 168 TYR C C 168 175.110 175.110 174.168 0.942 25776 3027 1 4 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.385 -0.199 25776 3028 1 4 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.173 3.267 25776 3029 1 4 . 1 1 168 168 TYR H H 168 8.398 8.398 8.447 -0.049 25776 3030 1 4 . 1 1 169 169 MET N N 169 124.800 124.800 123.729 1.071 25776 3031 1 4 . 1 1 169 169 MET C C 169 172.688 172.688 174.755 -2.067 25776 3032 1 4 . 1 1 169 169 MET CA C 169 55.640 55.640 55.403 0.237 25776 3033 1 4 . 1 1 169 169 MET CB C 169 34.143 34.143 34.126 0.017 25776 3034 1 4 . 1 1 169 169 MET H H 169 8.131 8.131 8.580 -0.449 25776 3035 1 4 . 1 1 170 170 ASP N N 170 122.780 122.780 122.906 -0.126 25776 3036 1 4 . 1 1 170 170 ASP C C 170 174.864 174.864 174.811 0.053 25776 3037 1 4 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.391 1.492 25776 3038 1 4 . 1 1 170 170 ASP CB C 170 41.678 41.678 44.350 -2.672 25776 3039 1 4 . 1 1 170 170 ASP H H 170 8.191 8.191 8.714 -0.523 25776 3040 1 4 . 1 1 171 171 ILE N N 171 127.252 127.252 117.517 9.735 25776 3041 1 4 . 1 1 171 171 ILE C C 171 174.476 174.476 174.305 0.171 25776 3042 1 4 . 1 1 171 171 ILE CA C 171 60.943 60.943 59.939 1.004 25776 3043 1 4 . 1 1 171 171 ILE CB C 171 40.521 40.521 40.594 -0.073 25776 3044 1 4 . 1 1 171 171 ILE H H 171 7.805 7.805 8.368 -0.563 25776 3045 1 4 . 1 1 172 172 ASP N N 172 129.369 129.369 127.376 1.993 25776 3046 1 4 . 1 1 172 172 ASP C C 172 174.520 174.520 175.863 -1.343 25776 3047 1 4 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.115 -0.314 25776 3048 1 4 . 1 1 172 172 ASP CB C 172 43.089 43.089 42.325 0.764 25776 3049 1 4 . 1 1 172 172 ASP H H 172 8.541 8.541 8.629 -0.088 25776 3050 1 4 . 1 1 173 173 THR N N 173 118.920 118.920 116.193 2.727 25776 3051 1 4 . 1 1 173 173 THR C C 173 172.170 172.170 175.531 -3.361 25776 3052 1 4 . 1 1 173 173 THR CA C 173 60.936 60.936 61.597 -0.661 25776 3053 1 4 . 1 1 173 173 THR CB C 173 70.002 70.002 70.173 -0.171 25776 3054 1 4 . 1 1 173 173 THR H H 173 8.814 8.814 8.417 0.397 25776 3055 1 4 . 1 1 176 176 SER C C 176 174.672 174.672 174.045 0.627 25776 3056 1 4 . 1 1 176 176 SER CA C 176 58.834 58.834 57.781 1.053 25776 3057 1 4 . 1 1 176 176 SER CB C 176 64.984 64.984 64.245 0.739 25776 3058 1 4 . 1 1 177 177 ILE N N 177 121.645 121.645 121.165 0.480 25776 3059 1 4 . 1 1 177 177 ILE C C 177 174.945 174.945 175.378 -0.433 25776 3060 1 4 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.386 1.960 25776 3061 1 4 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.456 0.682 25776 3062 1 4 . 1 1 177 177 ILE H H 177 7.993 7.993 8.188 -0.195 25776 3063 1 4 . 1 1 178 178 ASN N N 178 127.223 127.223 122.721 4.502 25776 3064 1 4 . 1 1 178 178 ASN C C 178 179.120 179.120 174.887 4.233 25776 3065 1 4 . 1 1 178 178 ASN CA C 178 55.663 55.663 52.928 2.735 25776 3066 1 4 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.380 2.539 25776 3067 1 4 . 1 1 178 178 ASN H H 178 7.882 7.882 8.501 -0.619 25776 3068 1 4 . 1 1 182 182 ALA N N 182 124.095 124.095 122.242 1.853 25776 3069 1 4 . 1 1 182 182 ALA C C 182 177.680 177.680 175.998 1.682 25776 3070 1 4 . 1 1 182 182 ALA CA C 182 54.216 54.216 52.211 2.005 25776 3071 1 4 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.178 -0.409 25776 3072 1 4 . 1 1 182 182 ALA H H 182 8.100 8.100 7.688 0.412 25776 3073 1 4 . 1 1 183 183 LEU N N 183 118.394 118.394 120.090 -1.696 25776 3074 1 4 . 1 1 183 183 LEU C C 183 177.352 177.352 175.902 1.450 25776 3075 1 4 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.130 0.697 25776 3076 1 4 . 1 1 183 183 LEU CB C 183 43.184 43.184 44.722 -1.538 25776 3077 1 4 . 1 1 183 183 LEU H H 183 7.854 7.854 8.377 -0.523 25776 3078 1 4 . 1 1 184 184 GLY N N 184 107.897 107.897 111.185 -3.288 25776 3079 1 4 . 1 1 184 184 GLY C C 184 174.288 174.288 172.756 1.532 25776 3080 1 4 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.002 1.674 25776 3081 1 4 . 1 1 184 184 GLY H H 184 7.883 7.883 8.109 -0.226 25776 3082 1 4 . 1 1 185 185 VAL N N 185 118.254 118.254 118.364 -0.110 25776 3083 1 4 . 1 1 185 185 VAL C C 185 175.475 175.475 175.209 0.266 25776 3084 1 4 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.626 1.422 25776 3085 1 4 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.558 0.913 25776 3086 1 4 . 1 1 185 185 VAL H H 185 7.676 7.676 7.960 -0.284 25776 3087 1 4 . 1 1 186 186 ASN N N 186 121.756 121.756 122.260 -0.504 25776 3088 1 4 . 1 1 186 186 ASN C C 186 174.724 174.724 174.124 0.600 25776 3089 1 4 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.946 0.647 25776 3090 1 4 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.470 1.428 25776 3091 1 4 . 1 1 186 186 ASN H H 186 8.331 8.331 8.605 -0.274 25776 3092 1 4 . 1 1 187 187 LYS N N 187 120.959 120.959 121.277 -0.318 25776 3093 1 4 . 1 1 187 187 LYS C C 187 174.652 174.652 175.222 -0.570 25776 3094 1 4 . 1 1 187 187 LYS CA C 187 57.198 57.198 55.557 1.641 25776 3095 1 4 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.682 0.361 25776 3096 1 4 . 1 1 187 187 LYS H H 187 8.031 8.031 7.826 0.205 25776 3097 1 4 . 1 1 189 189 LYS C C 189 176.088 176.088 175.691 0.397 25776 3098 1 4 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.806 1.636 25776 3099 1 4 . 1 1 190 190 VAL N N 190 121.122 121.122 124.290 -3.168 25776 3100 1 4 . 1 1 190 190 VAL C C 190 175.545 175.545 174.872 0.673 25776 3101 1 4 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.779 0.341 25776 3102 1 4 . 1 1 190 190 VAL CB C 190 33.948 33.948 33.525 0.423 25776 3103 1 4 . 1 1 190 190 VAL H H 190 8.067 8.067 8.385 -0.318 25776 3104 1 4 . 1 1 191 191 ASP N N 191 124.022 124.022 126.640 -2.618 25776 3105 1 4 . 1 1 191 191 ASP C C 191 175.710 175.710 176.553 -0.843 25776 3106 1 4 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.243 1.026 25776 3107 1 4 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.932 0.046 25776 3108 1 4 . 1 1 191 191 ASP H H 191 8.282 8.282 8.312 -0.030 25776 3109 1 4 . 1 1 192 192 VAL N N 192 118.928 118.928 115.272 3.656 25776 3110 1 4 . 1 1 192 192 VAL C C 192 175.433 175.433 173.917 1.516 25776 3111 1 4 . 1 1 192 192 VAL CA C 192 62.820 62.820 60.635 2.185 25776 3112 1 4 . 1 1 192 192 VAL CB C 192 34.105 34.105 33.957 0.148 25776 3113 1 4 . 1 1 192 192 VAL H H 192 7.877 7.877 7.467 0.410 25776 3114 1 4 . 1 1 193 193 ASP N N 193 124.364 124.364 120.396 3.968 25776 3115 1 4 . 1 1 193 193 ASP C C 193 176.118 176.118 175.962 0.156 25776 3116 1 4 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.394 0.817 25776 3117 1 4 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.587 -0.554 25776 3118 1 4 . 1 1 193 193 ASP H H 193 8.335 8.335 8.315 0.020 25776 3119 1 4 . 1 1 198 198 VAL N N 198 126.400 126.400 124.070 2.330 25776 3120 1 4 . 1 1 198 198 VAL C C 198 174.600 174.600 174.861 -0.261 25776 3121 1 4 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.007 -1.567 25776 3122 1 4 . 1 1 198 198 VAL CB C 198 35.100 35.100 31.789 3.311 25776 3123 1 4 . 1 1 198 198 VAL H H 198 8.474 8.474 8.261 0.213 25776 3124 1 4 . 1 1 199 199 TYR N N 199 123.900 123.900 128.329 -4.429 25776 3125 1 4 . 1 1 199 199 TYR C C 199 173.600 173.600 173.857 -0.257 25776 3126 1 4 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.662 -2.152 25776 3127 1 4 . 1 1 199 199 TYR CB C 199 40.630 40.630 42.829 -2.199 25776 3128 1 4 . 1 1 199 199 TYR H H 199 8.748 8.748 7.982 0.766 25776 3129 1 4 . 1 1 200 200 MET N N 200 123.700 123.700 126.143 -2.443 25776 3130 1 4 . 1 1 200 200 MET CA C 200 49.420 49.420 54.306 -4.886 25776 3131 1 4 . 1 1 200 200 MET H H 200 9.057 9.057 8.604 0.453 25776 3132 1 4 . 1 1 201 201 ILE C C 201 174.016 174.016 173.995 0.021 25776 3133 1 4 . 1 1 201 201 ILE CA C 201 60.474 60.474 58.774 1.700 25776 3134 1 4 . 1 1 201 201 ILE CB C 201 42.435 42.435 41.935 0.500 25776 3135 1 4 . 1 1 202 202 GLY N N 202 113.215 113.215 111.889 1.326 25776 3136 1 4 . 1 1 202 202 GLY C C 202 170.124 170.124 171.342 -1.218 25776 3137 1 4 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.696 2.865 25776 3138 1 4 . 1 1 202 202 GLY H H 202 8.646 8.646 8.479 0.167 25776 3139 1 4 . 1 1 203 203 PHE N N 203 116.782 116.782 117.576 -0.794 25776 3140 1 4 . 1 1 203 203 PHE C C 203 174.063 174.063 175.449 -1.386 25776 3141 1 4 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.342 0.109 25776 3142 1 4 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.603 2.096 25776 3143 1 4 . 1 1 203 203 PHE H H 203 8.482 8.482 8.322 0.160 25776 3144 1 4 . 1 1 204 204 GLY N N 204 105.936 105.936 106.277 -0.341 25776 3145 1 4 . 1 1 204 204 GLY C C 204 171.097 171.097 172.018 -0.921 25776 3146 1 4 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.711 2.763 25776 3147 1 4 . 1 1 204 204 GLY H H 204 9.003 9.003 8.117 0.886 25776 3148 1 4 . 1 1 205 205 TYR N N 205 121.196 121.196 120.334 0.862 25776 3149 1 4 . 1 1 205 205 TYR C C 205 172.994 172.994 174.084 -1.090 25776 3150 1 4 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.966 0.720 25776 3151 1 4 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.397 1.793 25776 3152 1 4 . 1 1 205 205 TYR H H 205 9.413 9.413 9.105 0.308 25776 3153 1 4 . 1 1 206 206 LYS N N 206 126.788 126.788 122.273 4.515 25776 3154 1 4 . 1 1 206 206 LYS C C 206 174.161 174.161 175.118 -0.957 25776 3155 1 4 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.364 0.067 25776 3156 1 4 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.572 0.853 25776 3157 1 4 . 1 1 206 206 LYS H H 206 8.364 8.364 8.143 0.221 25776 3158 1 4 . 1 1 207 207 PHE N N 207 126.168 126.168 122.683 3.485 25776 3159 1 4 . 1 1 207 207 PHE C C 207 175.094 175.094 175.101 -0.007 25776 3160 1 4 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.195 0.495 25776 3161 1 4 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.832 0.831 25776 3162 1 4 . 1 1 207 207 PHE H H 207 9.308 9.308 8.266 1.042 25776 3163 1 4 . 1 1 208 208 LEU N N 208 123.199 123.199 127.090 -3.891 25776 3164 1 4 . 1 1 208 208 LEU C C 208 176.580 176.580 175.658 0.922 25776 3165 1 4 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.867 0.605 25776 3166 1 4 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.410 1.303 25776 3167 1 4 . 1 1 208 208 LEU H H 208 8.376 8.376 8.412 -0.036 25776 3168 1 4 . 1 1 209 209 GLU N N 209 121.960 121.960 123.740 -1.780 25776 3169 1 4 . 1 1 209 209 GLU C C 209 176.226 176.226 175.061 1.165 25776 3170 1 4 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.886 1.846 25776 3171 1 4 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.948 -0.495 25776 3172 1 4 . 1 1 209 209 GLU H H 209 8.500 8.500 8.450 0.050 25776 3173 1 5 . 1 1 2 2 HIS C C 2 175.393 175.393 174.585 0.808 25776 3174 1 5 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.400 -1.596 25776 3175 1 5 . 1 1 2 2 HIS CB C 2 30.780 30.780 28.930 1.850 25776 3176 1 5 . 1 1 3 3 LYS N N 3 121.908 121.908 120.192 1.716 25776 3177 1 5 . 1 1 3 3 LYS C C 3 173.475 173.475 174.416 -0.941 25776 3178 1 5 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.124 -0.097 25776 3179 1 5 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.953 -0.753 25776 3180 1 5 . 1 1 3 3 LYS H H 3 8.608 8.608 7.852 0.756 25776 3181 1 5 . 1 1 4 4 ALA N N 4 120.771 120.771 121.395 -0.624 25776 3182 1 5 . 1 1 4 4 ALA C C 4 178.118 178.118 178.218 -0.100 25776 3183 1 5 . 1 1 4 4 ALA CA C 4 53.439 53.439 53.048 0.391 25776 3184 1 5 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.912 -0.863 25776 3185 1 5 . 1 1 4 4 ALA H H 4 8.581 8.581 8.319 0.262 25776 3186 1 5 . 1 1 5 5 GLY N N 5 112.807 112.807 109.883 2.924 25776 3187 1 5 . 1 1 5 5 GLY C C 5 173.788 173.788 174.017 -0.229 25776 3188 1 5 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.502 0.319 25776 3189 1 5 . 1 1 5 5 GLY H H 5 9.170 9.170 7.804 1.366 25776 3190 1 5 . 1 1 6 6 ASP N N 6 121.504 121.504 120.699 0.805 25776 3191 1 5 . 1 1 6 6 ASP C C 6 174.307 174.307 174.924 -0.617 25776 3192 1 5 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.934 0.884 25776 3193 1 5 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.503 0.072 25776 3194 1 5 . 1 1 6 6 ASP H H 6 7.619 7.619 7.396 0.223 25776 3195 1 5 . 1 1 7 7 PHE N N 7 121.212 121.212 120.545 0.667 25776 3196 1 5 . 1 1 7 7 PHE C C 7 174.030 174.030 175.074 -1.044 25776 3197 1 5 . 1 1 7 7 PHE CA C 7 56.601 56.601 56.005 0.596 25776 3198 1 5 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.725 3.351 25776 3199 1 5 . 1 1 7 7 PHE H H 7 8.285 8.285 8.087 0.198 25776 3200 1 5 . 1 1 8 8 ILE N N 8 128.185 128.185 117.773 10.412 25776 3201 1 5 . 1 1 8 8 ILE C C 8 173.961 173.961 173.719 0.242 25776 3202 1 5 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.712 2.011 25776 3203 1 5 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.997 1.672 25776 3204 1 5 . 1 1 8 8 ILE H H 8 9.245 9.245 8.535 0.710 25776 3205 1 5 . 1 1 9 9 ILE N N 9 125.624 125.624 117.400 8.224 25776 3206 1 5 . 1 1 9 9 ILE C C 9 173.731 173.731 174.467 -0.736 25776 3207 1 5 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.155 1.135 25776 3208 1 5 . 1 1 9 9 ILE CB C 9 42.091 42.091 41.126 0.965 25776 3209 1 5 . 1 1 9 9 ILE H H 9 8.628 8.628 7.982 0.646 25776 3210 1 5 . 1 1 10 10 ARG N N 10 125.025 125.025 122.484 2.541 25776 3211 1 5 . 1 1 10 10 ARG C C 10 175.074 175.074 175.590 -0.516 25776 3212 1 5 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.673 0.821 25776 3213 1 5 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.041 -0.270 25776 3214 1 5 . 1 1 10 10 ARG H H 10 9.225 9.225 8.759 0.466 25776 3215 1 5 . 1 1 11 11 GLY N N 11 106.141 106.141 109.823 -3.682 25776 3216 1 5 . 1 1 11 11 GLY C C 11 171.959 171.959 173.016 -1.057 25776 3217 1 5 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.807 1.400 25776 3218 1 5 . 1 1 11 11 GLY H H 11 8.885 8.885 7.363 1.522 25776 3219 1 5 . 1 1 12 12 GLY N N 12 107.818 107.818 104.495 3.323 25776 3220 1 5 . 1 1 12 12 GLY C C 12 171.465 171.465 172.415 -0.950 25776 3221 1 5 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.831 2.482 25776 3222 1 5 . 1 1 12 12 GLY H H 12 8.433 8.433 7.173 1.260 25776 3223 1 5 . 1 1 13 13 PHE N N 13 120.233 120.233 117.862 2.371 25776 3224 1 5 . 1 1 13 13 PHE C C 13 174.056 174.056 175.460 -1.404 25776 3225 1 5 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.804 0.347 25776 3226 1 5 . 1 1 13 13 PHE CB C 13 41.625 41.625 38.920 2.705 25776 3227 1 5 . 1 1 13 13 PHE H H 13 8.606 8.606 8.187 0.419 25776 3228 1 5 . 1 1 18 18 PRO C C 18 176.552 176.552 176.756 -0.204 25776 3229 1 5 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.638 1.453 25776 3230 1 5 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.710 0.939 25776 3231 1 5 . 1 1 19 19 ASP N N 19 121.094 121.094 118.373 2.721 25776 3232 1 5 . 1 1 19 19 ASP C C 19 176.047 176.047 176.163 -0.116 25776 3233 1 5 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.164 1.110 25776 3234 1 5 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.520 1.523 25776 3235 1 5 . 1 1 19 19 ASP H H 19 8.372 8.372 8.601 -0.230 25776 3236 1 5 . 1 1 20 20 ASP N N 20 123.179 123.179 118.944 4.235 25776 3237 1 5 . 1 1 20 20 ASP C C 20 176.790 176.790 176.964 -0.174 25776 3238 1 5 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.664 -0.569 25776 3239 1 5 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.522 0.312 25776 3240 1 5 . 1 1 20 20 ASP H H 20 8.357 8.357 8.470 -0.113 25776 3241 1 5 . 1 1 21 21 SER N N 21 117.319 117.319 116.590 0.729 25776 3242 1 5 . 1 1 21 21 SER C C 21 175.218 175.218 174.268 0.950 25776 3243 1 5 . 1 1 21 21 SER CA C 21 60.134 60.134 58.301 1.833 25776 3244 1 5 . 1 1 21 21 SER CB C 21 64.701 64.701 62.355 2.346 25776 3245 1 5 . 1 1 21 21 SER H H 21 8.398 8.398 8.335 0.063 25776 3246 1 5 . 1 1 22 22 SER N N 22 117.994 117.994 117.628 0.366 25776 3247 1 5 . 1 1 22 22 SER C C 22 174.877 174.877 172.316 2.561 25776 3248 1 5 . 1 1 22 22 SER CA C 22 59.839 59.839 59.103 0.736 25776 3249 1 5 . 1 1 22 22 SER CB C 22 64.669 64.669 64.615 0.054 25776 3250 1 5 . 1 1 22 22 SER H H 22 8.314 8.314 7.836 0.478 25776 3251 1 5 . 1 1 23 23 SER N N 23 117.809 117.809 118.791 -0.982 25776 3252 1 5 . 1 1 23 23 SER C C 23 174.298 174.298 172.607 1.691 25776 3253 1 5 . 1 1 23 23 SER CA C 23 59.629 59.629 58.697 0.932 25776 3254 1 5 . 1 1 23 23 SER CB C 23 64.802 64.802 63.445 1.357 25776 3255 1 5 . 1 1 23 23 SER H H 23 8.143 8.143 8.515 -0.372 25776 3256 1 5 . 1 1 24 24 ASP N N 24 122.829 122.829 125.486 -2.657 25776 3257 1 5 . 1 1 24 24 ASP C C 24 176.250 176.250 175.066 1.184 25776 3258 1 5 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.369 1.124 25776 3259 1 5 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.259 -0.418 25776 3260 1 5 . 1 1 24 24 ASP H H 24 8.234 8.234 8.225 0.009 25776 3261 1 5 . 1 1 25 25 ILE N N 25 120.717 120.717 121.082 -0.365 25776 3262 1 5 . 1 1 25 25 ILE C C 25 176.204 176.204 174.817 1.387 25776 3263 1 5 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.654 0.902 25776 3264 1 5 . 1 1 25 25 ILE CB C 25 39.668 39.668 37.932 1.736 25776 3265 1 5 . 1 1 25 25 ILE H H 25 7.884 7.884 8.250 -0.366 25776 3266 1 5 . 1 1 26 26 LYS N N 26 124.527 124.527 126.451 -1.924 25776 3267 1 5 . 1 1 26 26 LYS C C 26 176.616 176.616 175.487 1.129 25776 3268 1 5 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.814 1.378 25776 3269 1 5 . 1 1 26 26 LYS CB C 26 33.809 33.809 31.753 2.056 25776 3270 1 5 . 1 1 26 26 LYS H H 26 8.164 8.164 8.326 -0.162 25776 3271 1 5 . 1 1 27 27 LEU N N 27 123.292 123.292 123.699 -0.407 25776 3272 1 5 . 1 1 27 27 LEU C C 27 177.077 177.077 177.040 0.037 25776 3273 1 5 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.727 1.446 25776 3274 1 5 . 1 1 27 27 LEU CB C 27 43.317 43.317 44.191 -0.875 25776 3275 1 5 . 1 1 27 27 LEU H H 27 8.100 8.100 8.220 -0.120 25776 3276 1 5 . 1 1 28 28 ASP N N 28 121.059 121.059 122.336 -1.277 25776 3277 1 5 . 1 1 28 28 ASP C C 28 176.929 176.929 177.725 -0.796 25776 3278 1 5 . 1 1 28 28 ASP CA C 28 55.348 55.348 55.202 0.146 25776 3279 1 5 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.247 0.828 25776 3280 1 5 . 1 1 28 28 ASP H H 28 8.209 8.209 8.618 -0.409 25776 3281 1 5 . 1 1 29 29 GLY N N 29 110.032 110.032 109.200 0.832 25776 3282 1 5 . 1 1 29 29 GLY C C 29 174.364 174.364 173.542 0.822 25776 3283 1 5 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.554 2.324 25776 3284 1 5 . 1 1 29 29 GLY H H 29 8.274 8.274 8.168 0.106 25776 3285 1 5 . 1 1 30 30 ALA N N 30 124.102 124.102 124.547 -0.445 25776 3286 1 5 . 1 1 30 30 ALA C C 30 178.005 178.005 177.377 0.628 25776 3287 1 5 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.387 1.437 25776 3288 1 5 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.004 1.123 25776 3289 1 5 . 1 1 30 30 ALA H H 30 8.085 8.085 8.183 -0.098 25776 3290 1 5 . 1 1 31 31 LYS N N 31 119.810 119.810 124.631 -4.821 25776 3291 1 5 . 1 1 31 31 LYS C C 31 176.650 176.650 175.676 0.974 25776 3292 1 5 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.434 1.038 25776 3293 1 5 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.678 1.270 25776 3294 1 5 . 1 1 31 31 LYS H H 31 8.075 8.075 8.658 -0.583 25776 3295 1 5 . 1 1 32 32 GLN N N 32 121.045 121.045 118.457 2.588 25776 3296 1 5 . 1 1 32 32 GLN C C 32 175.862 175.862 175.420 0.442 25776 3297 1 5 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.376 1.563 25776 3298 1 5 . 1 1 32 32 GLN CB C 32 30.194 30.194 31.020 -0.826 25776 3299 1 5 . 1 1 32 32 GLN H H 32 8.182 8.182 7.898 0.284 25776 3300 1 5 . 1 1 33 33 ARG N N 33 122.683 122.683 121.564 1.119 25776 3301 1 5 . 1 1 33 33 ARG C C 33 176.492 176.492 177.059 -0.567 25776 3302 1 5 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.231 0.851 25776 3303 1 5 . 1 1 33 33 ARG CB C 33 31.952 31.952 31.450 0.502 25776 3304 1 5 . 1 1 33 33 ARG H H 33 8.288 8.288 8.604 -0.316 25776 3305 1 5 . 1 1 36 36 LYS C C 36 176.028 176.028 175.874 0.154 25776 3306 1 5 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.318 0.905 25776 3307 1 5 . 1 1 36 36 LYS CB C 36 34.262 34.262 33.217 1.045 25776 3308 1 5 . 1 1 37 37 ALA N N 37 125.793 125.793 120.430 5.363 25776 3309 1 5 . 1 1 37 37 ALA C C 37 177.567 177.567 175.874 1.693 25776 3310 1 5 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.678 0.889 25776 3311 1 5 . 1 1 37 37 ALA CB C 37 20.408 20.408 17.336 3.072 25776 3312 1 5 . 1 1 37 37 ALA H H 37 8.329 8.329 8.297 0.032 25776 3313 1 5 . 1 1 38 38 THR N N 38 113.398 113.398 110.639 2.759 25776 3314 1 5 . 1 1 38 38 THR C C 38 174.556 174.556 173.431 1.125 25776 3315 1 5 . 1 1 38 38 THR CA C 38 62.551 62.551 61.580 0.972 25776 3316 1 5 . 1 1 38 38 THR CB C 38 71.054 71.054 70.910 0.144 25776 3317 1 5 . 1 1 38 38 THR H H 38 8.007 8.007 7.451 0.556 25776 3318 1 5 . 1 1 39 39 VAL N N 39 120.865 120.865 118.378 2.487 25776 3319 1 5 . 1 1 39 39 VAL C C 39 175.523 175.523 174.906 0.617 25776 3320 1 5 . 1 1 39 39 VAL CA C 39 63.100 63.100 63.260 -0.160 25776 3321 1 5 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.161 1.883 25776 3322 1 5 . 1 1 39 39 VAL H H 39 8.043 8.043 8.425 -0.382 25776 3323 1 5 . 1 1 40 40 ASP N N 40 124.053 124.053 123.858 0.195 25776 3324 1 5 . 1 1 40 40 ASP C C 40 176.132 176.132 175.570 0.562 25776 3325 1 5 . 1 1 40 40 ASP CA C 40 55.281 55.281 53.694 1.587 25776 3326 1 5 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.413 1.806 25776 3327 1 5 . 1 1 40 40 ASP H H 40 8.333 8.333 8.243 0.090 25776 3328 1 5 . 1 1 41 41 SER N N 41 115.655 115.655 121.440 -5.785 25776 3329 1 5 . 1 1 41 41 SER C C 41 174.147 174.147 173.732 0.415 25776 3330 1 5 . 1 1 41 41 SER CA C 41 59.367 59.367 58.604 0.763 25776 3331 1 5 . 1 1 41 41 SER CB C 41 65.027 65.027 63.507 1.520 25776 3332 1 5 . 1 1 41 41 SER H H 41 8.142 8.142 8.504 -0.362 25776 3333 1 5 . 1 1 42 42 ASP N N 42 123.005 123.005 125.657 -2.652 25776 3334 1 5 . 1 1 42 42 ASP C C 42 176.578 176.578 176.443 0.135 25776 3335 1 5 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.374 1.065 25776 3336 1 5 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.488 -0.084 25776 3337 1 5 . 1 1 42 42 ASP H H 42 8.433 8.433 8.021 0.412 25776 3338 1 5 . 1 1 43 43 THR C C 43 176.244 176.244 173.933 2.311 25776 3339 1 5 . 1 1 43 43 THR CA C 43 62.772 62.772 63.086 -0.314 25776 3340 1 5 . 1 1 43 43 THR CB C 43 71.018 71.018 69.617 1.401 25776 3341 1 5 . 1 1 44 44 GLN N N 44 123.824 123.824 120.608 3.216 25776 3342 1 5 . 1 1 44 44 GLN C C 44 177.061 177.061 175.088 1.973 25776 3343 1 5 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.266 2.013 25776 3344 1 5 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.242 3.420 25776 3345 1 5 . 1 1 44 44 GLN H H 44 8.270 8.270 7.884 0.386 25776 3346 1 5 . 1 1 45 45 LEU N N 45 122.159 122.159 123.011 -0.852 25776 3347 1 5 . 1 1 45 45 LEU C C 45 176.419 176.419 176.791 -0.372 25776 3348 1 5 . 1 1 45 45 LEU CA C 45 56.118 56.118 55.126 0.992 25776 3349 1 5 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.305 0.316 25776 3350 1 5 . 1 1 45 45 LEU H H 45 7.940 7.940 8.315 -0.375 25776 3351 1 5 . 1 1 46 46 GLY N N 46 107.861 107.861 106.551 1.310 25776 3352 1 5 . 1 1 46 46 GLY C C 46 171.538 171.538 172.055 -0.517 25776 3353 1 5 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.363 0.412 25776 3354 1 5 . 1 1 46 46 GLY H H 46 8.566 8.566 7.802 0.764 25776 3355 1 5 . 1 1 47 47 LEU N N 47 122.959 122.959 121.086 1.873 25776 3356 1 5 . 1 1 47 47 LEU C C 47 175.422 175.422 175.087 0.335 25776 3357 1 5 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.828 0.503 25776 3358 1 5 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.684 2.659 25776 3359 1 5 . 1 1 47 47 LEU H H 47 8.457 8.457 8.252 0.205 25776 3360 1 5 . 1 1 48 48 THR N N 48 112.144 112.144 120.132 -7.988 25776 3361 1 5 . 1 1 48 48 THR C C 48 172.347 172.347 173.543 -1.196 25776 3362 1 5 . 1 1 48 48 THR CA C 48 59.573 59.573 60.402 -0.829 25776 3363 1 5 . 1 1 48 48 THR CB C 48 72.843 72.843 70.276 2.567 25776 3364 1 5 . 1 1 48 48 THR H H 48 8.814 8.814 8.313 0.501 25776 3365 1 5 . 1 1 49 49 PHE N N 49 118.787 118.787 126.022 -7.235 25776 3366 1 5 . 1 1 49 49 PHE C C 49 174.623 174.623 175.334 -0.711 25776 3367 1 5 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.466 -1.729 25776 3368 1 5 . 1 1 49 49 PHE CB C 49 42.986 42.986 40.315 2.671 25776 3369 1 5 . 1 1 49 49 PHE H H 49 8.455 8.455 8.901 -0.446 25776 3370 1 5 . 1 1 50 50 THR N N 50 121.279 121.279 117.463 3.816 25776 3371 1 5 . 1 1 50 50 THR C C 50 173.272 173.272 173.562 -0.290 25776 3372 1 5 . 1 1 50 50 THR CA C 50 63.315 63.315 60.237 3.078 25776 3373 1 5 . 1 1 50 50 THR CB C 50 74.327 74.327 70.823 3.504 25776 3374 1 5 . 1 1 50 50 THR H H 50 9.372 9.372 9.022 0.350 25776 3375 1 5 . 1 1 51 51 TYR N N 51 126.005 126.005 122.595 3.410 25776 3376 1 5 . 1 1 51 51 TYR C C 51 174.837 174.837 175.643 -0.806 25776 3377 1 5 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.965 -0.105 25776 3378 1 5 . 1 1 51 51 TYR CB C 51 42.447 42.447 41.051 1.396 25776 3379 1 5 . 1 1 51 51 TYR H H 51 9.157 9.157 8.313 0.844 25776 3380 1 5 . 1 1 52 52 MET N N 52 127.601 127.601 123.392 4.209 25776 3381 1 5 . 1 1 52 52 MET C C 52 174.466 174.466 175.257 -0.791 25776 3382 1 5 . 1 1 52 52 MET CA C 52 53.171 53.171 57.096 -3.925 25776 3383 1 5 . 1 1 52 52 MET CB C 52 29.467 29.467 33.439 -3.972 25776 3384 1 5 . 1 1 52 52 MET H H 52 7.998 7.998 8.323 -0.325 25776 3385 1 5 . 1 1 53 53 PHE N N 53 123.918 123.918 123.961 -0.043 25776 3386 1 5 . 1 1 53 53 PHE C C 53 173.685 173.685 174.842 -1.157 25776 3387 1 5 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.783 0.831 25776 3388 1 5 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.149 -3.038 25776 3389 1 5 . 1 1 53 53 PHE H H 53 7.762 7.762 9.567 -1.805 25776 3390 1 5 . 1 1 54 54 ALA N N 54 125.892 125.892 123.188 2.704 25776 3391 1 5 . 1 1 54 54 ALA C C 54 174.976 174.976 178.543 -3.567 25776 3392 1 5 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.659 -2.216 25776 3393 1 5 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.942 4.592 25776 3394 1 5 . 1 1 54 54 ALA H H 54 8.396 8.396 8.824 -0.428 25776 3395 1 5 . 1 1 55 55 ASP N N 55 118.951 118.951 119.119 -0.168 25776 3396 1 5 . 1 1 55 55 ASP C C 55 174.777 174.777 175.757 -0.980 25776 3397 1 5 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.090 2.049 25776 3398 1 5 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.716 0.232 25776 3399 1 5 . 1 1 55 55 ASP H H 55 8.632 8.632 8.868 -0.236 25776 3400 1 5 . 1 1 56 56 LYS N N 56 106.363 106.363 114.363 -8.000 25776 3401 1 5 . 1 1 56 56 LYS C C 56 174.930 174.930 174.418 0.512 25776 3402 1 5 . 1 1 56 56 LYS CA C 56 55.870 55.870 55.845 0.025 25776 3403 1 5 . 1 1 56 56 LYS CB C 56 35.437 35.437 30.534 4.903 25776 3404 1 5 . 1 1 56 56 LYS H H 56 7.300 7.300 8.520 -1.220 25776 3405 1 5 . 1 1 57 57 TRP N N 57 115.784 115.784 122.341 -6.557 25776 3406 1 5 . 1 1 57 57 TRP C C 57 173.960 173.960 175.386 -1.426 25776 3407 1 5 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.170 -1.213 25776 3408 1 5 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.545 1.631 25776 3409 1 5 . 1 1 57 57 TRP H H 57 6.612 6.612 8.050 -1.438 25776 3410 1 5 . 1 1 58 58 GLY N N 58 107.657 107.657 109.724 -2.067 25776 3411 1 5 . 1 1 58 58 GLY C C 58 172.720 172.720 172.279 0.441 25776 3412 1 5 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.117 0.667 25776 3413 1 5 . 1 1 58 58 GLY H H 58 9.271 9.271 8.971 0.300 25776 3414 1 5 . 1 1 59 59 VAL N N 59 118.434 118.434 125.819 -7.385 25776 3415 1 5 . 1 1 59 59 VAL C C 59 172.973 172.973 174.702 -1.729 25776 3416 1 5 . 1 1 59 59 VAL CA C 59 60.638 60.638 62.139 -1.501 25776 3417 1 5 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.931 3.105 25776 3418 1 5 . 1 1 59 59 VAL H H 59 9.080 9.080 8.531 0.549 25776 3419 1 5 . 1 1 60 60 GLU N N 60 127.915 127.915 129.104 -1.189 25776 3420 1 5 . 1 1 60 60 GLU C C 60 174.464 174.464 174.628 -0.164 25776 3421 1 5 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.648 -0.897 25776 3422 1 5 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.422 2.620 25776 3423 1 5 . 1 1 60 60 GLU H H 60 9.431 9.431 9.393 0.038 25776 3424 1 5 . 1 1 61 61 LEU N N 61 127.764 127.764 126.001 1.763 25776 3425 1 5 . 1 1 61 61 LEU C C 61 174.746 174.746 175.400 -0.654 25776 3426 1 5 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.218 0.773 25776 3427 1 5 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.268 1.612 25776 3428 1 5 . 1 1 61 61 LEU H H 61 8.730 8.730 8.322 0.408 25776 3429 1 5 . 1 1 62 62 VAL N N 62 126.465 126.465 122.779 3.686 25776 3430 1 5 . 1 1 62 62 VAL C C 62 174.453 174.453 174.069 0.384 25776 3431 1 5 . 1 1 62 62 VAL CA C 62 62.285 62.285 60.163 2.123 25776 3432 1 5 . 1 1 62 62 VAL CB C 62 35.086 35.086 31.252 3.834 25776 3433 1 5 . 1 1 62 62 VAL H H 62 9.068 9.068 8.165 0.903 25776 3434 1 5 . 1 1 63 63 ALA N N 63 130.444 130.444 129.009 1.435 25776 3435 1 5 . 1 1 63 63 ALA C C 63 174.030 174.030 175.272 -1.242 25776 3436 1 5 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.272 -0.022 25776 3437 1 5 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.776 1.727 25776 3438 1 5 . 1 1 63 63 ALA H H 63 9.124 9.124 8.493 0.631 25776 3439 1 5 . 1 1 64 64 ALA N N 64 121.285 121.285 121.574 -0.289 25776 3440 1 5 . 1 1 64 64 ALA C C 64 176.843 176.843 177.685 -0.842 25776 3441 1 5 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.699 0.471 25776 3442 1 5 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.467 3.705 25776 3443 1 5 . 1 1 64 64 ALA H H 64 7.995 7.995 8.466 -0.471 25776 3444 1 5 . 1 1 65 65 THR N N 65 109.734 109.734 118.201 -8.467 25776 3445 1 5 . 1 1 65 65 THR C C 65 176.739 176.739 173.503 3.236 25776 3446 1 5 . 1 1 65 65 THR CA C 65 61.660 61.660 61.362 0.298 25776 3447 1 5 . 1 1 65 65 THR CB C 65 68.341 68.341 68.635 -0.294 25776 3448 1 5 . 1 1 65 65 THR H H 65 8.108 8.108 8.373 -0.265 25776 3449 1 5 . 1 1 67 67 PHE N N 67 123.676 123.676 120.086 3.590 25776 3450 1 5 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.181 -0.332 25776 3451 1 5 . 1 1 67 67 PHE H H 67 8.382 8.382 8.224 0.158 25776 3452 1 5 . 1 1 74 74 LYS C C 74 177.704 177.704 176.593 1.111 25776 3453 1 5 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.219 -0.191 25776 3454 1 5 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.361 0.701 25776 3455 1 5 . 1 1 75 75 GLY N N 75 108.841 108.841 108.884 -0.043 25776 3456 1 5 . 1 1 75 75 GLY C C 75 174.405 174.405 174.642 -0.237 25776 3457 1 5 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.622 2.090 25776 3458 1 5 . 1 1 75 75 GLY H H 75 8.069 8.069 8.078 -0.009 25776 3459 1 5 . 1 1 76 76 LEU N N 76 120.093 120.093 122.358 -2.265 25776 3460 1 5 . 1 1 76 76 LEU C C 76 176.997 176.997 178.047 -1.050 25776 3461 1 5 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.328 0.852 25776 3462 1 5 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.499 3.498 25776 3463 1 5 . 1 1 76 76 LEU H H 76 7.623 7.623 8.433 -0.810 25776 3464 1 5 . 1 1 79 79 GLY C C 79 175.675 175.675 174.912 0.763 25776 3465 1 5 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.147 1.952 25776 3466 1 5 . 1 1 80 80 LEU N N 80 130.062 130.062 122.272 7.790 25776 3467 1 5 . 1 1 80 80 LEU C C 80 176.062 176.062 177.700 -1.638 25776 3468 1 5 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.871 -0.467 25776 3469 1 5 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.243 0.763 25776 3470 1 5 . 1 1 80 80 LEU H H 80 9.441 9.441 8.355 1.086 25776 3471 1 5 . 1 1 81 81 ASP N N 81 124.816 124.816 118.838 5.978 25776 3472 1 5 . 1 1 81 81 ASP C C 81 178.992 178.992 175.373 3.619 25776 3473 1 5 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.680 2.089 25776 3474 1 5 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.865 -0.918 25776 3475 1 5 . 1 1 81 81 ASP H H 81 7.854 7.854 7.860 -0.006 25776 3476 1 5 . 1 1 91 91 PRO C C 91 175.297 175.297 175.347 -0.050 25776 3477 1 5 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.976 -1.143 25776 3478 1 5 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.509 1.022 25776 3479 1 5 . 1 1 92 92 ALA N N 92 123.521 123.521 119.674 3.847 25776 3480 1 5 . 1 1 92 92 ALA C C 92 175.643 175.643 175.686 -0.043 25776 3481 1 5 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.604 1.071 25776 3482 1 5 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.749 -0.024 25776 3483 1 5 . 1 1 92 92 ALA H H 92 8.829 8.829 7.956 0.873 25776 3484 1 5 . 1 1 93 93 THR N N 93 117.599 117.599 116.766 0.833 25776 3485 1 5 . 1 1 93 93 THR C C 93 171.440 171.440 172.927 -1.487 25776 3486 1 5 . 1 1 93 93 THR CA C 93 62.066 62.066 61.996 0.070 25776 3487 1 5 . 1 1 93 93 THR CB C 93 72.352 72.352 71.994 0.358 25776 3488 1 5 . 1 1 93 93 THR H H 93 8.237 8.237 8.133 0.104 25776 3489 1 5 . 1 1 94 94 LEU N N 94 129.530 129.530 124.996 4.534 25776 3490 1 5 . 1 1 94 94 LEU C C 94 174.995 174.995 175.156 -0.161 25776 3491 1 5 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.057 0.137 25776 3492 1 5 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.487 2.678 25776 3493 1 5 . 1 1 94 94 LEU H H 94 8.732 8.732 8.660 0.072 25776 3494 1 5 . 1 1 95 95 LEU N N 95 124.181 124.181 121.399 2.782 25776 3495 1 5 . 1 1 95 95 LEU C C 95 175.270 175.270 174.520 0.750 25776 3496 1 5 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.952 0.581 25776 3497 1 5 . 1 1 95 95 LEU CB C 95 46.672 46.672 47.178 -0.506 25776 3498 1 5 . 1 1 95 95 LEU H H 95 9.485 9.485 8.950 0.535 25776 3499 1 5 . 1 1 96 96 LEU N N 96 123.444 123.444 123.285 0.159 25776 3500 1 5 . 1 1 96 96 LEU C C 96 174.997 174.997 175.450 -0.453 25776 3501 1 5 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.454 1.859 25776 3502 1 5 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.210 1.938 25776 3503 1 5 . 1 1 96 96 LEU H H 96 8.836 8.836 9.167 -0.331 25776 3504 1 5 . 1 1 97 97 GLN N N 97 121.545 121.545 122.396 -0.851 25776 3505 1 5 . 1 1 97 97 GLN C C 97 174.324 174.324 174.236 0.088 25776 3506 1 5 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.869 0.519 25776 3507 1 5 . 1 1 97 97 GLN CB C 97 37.524 37.524 32.716 4.808 25776 3508 1 5 . 1 1 97 97 GLN H H 97 9.566 9.566 8.713 0.853 25776 3509 1 5 . 1 1 98 98 TYR N N 98 122.246 122.246 118.176 4.070 25776 3510 1 5 . 1 1 98 98 TYR C C 98 173.409 173.409 175.922 -2.513 25776 3511 1 5 . 1 1 98 98 TYR CA C 98 55.655 55.655 54.822 0.833 25776 3512 1 5 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.161 2.047 25776 3513 1 5 . 1 1 98 98 TYR H H 98 9.053 9.053 8.990 0.063 25776 3514 1 5 . 1 1 99 99 TYR N N 99 126.872 126.872 119.091 7.781 25776 3515 1 5 . 1 1 99 99 TYR C C 99 175.310 175.310 173.827 1.483 25776 3516 1 5 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.058 0.698 25776 3517 1 5 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.093 1.542 25776 3518 1 5 . 1 1 99 99 TYR H H 99 8.344 8.344 7.973 0.371 25776 3519 1 5 . 1 1 100 100 PRO C C 100 178.304 178.304 177.740 0.564 25776 3520 1 5 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.537 0.873 25776 3521 1 5 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.303 0.804 25776 3522 1 5 . 1 1 101 101 MET N N 101 114.703 114.703 115.779 -1.076 25776 3523 1 5 . 1 1 101 101 MET C C 101 178.218 178.218 176.708 1.510 25776 3524 1 5 . 1 1 101 101 MET CA C 101 54.147 54.147 55.871 -1.724 25776 3525 1 5 . 1 1 101 101 MET CB C 101 30.956 30.956 32.139 -1.183 25776 3526 1 5 . 1 1 101 101 MET H H 101 9.432 9.432 7.829 1.603 25776 3527 1 5 . 1 1 102 102 GLY N N 102 117.671 117.671 108.542 9.129 25776 3528 1 5 . 1 1 102 102 GLY C C 102 175.611 175.611 174.501 1.110 25776 3529 1 5 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.855 1.597 25776 3530 1 5 . 1 1 102 102 GLY H H 102 8.671 8.671 8.109 0.562 25776 3531 1 5 . 1 1 103 103 GLY N N 103 111.298 111.298 111.062 0.236 25776 3532 1 5 . 1 1 103 103 GLY C C 103 174.054 174.054 173.792 0.262 25776 3533 1 5 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.992 1.828 25776 3534 1 5 . 1 1 103 103 GLY H H 103 9.436 9.436 8.406 1.030 25776 3535 1 5 . 1 1 104 104 THR N N 104 109.330 109.330 114.372 -5.042 25776 3536 1 5 . 1 1 104 104 THR C C 104 174.248 174.248 174.092 0.156 25776 3537 1 5 . 1 1 104 104 THR CA C 104 61.454 61.454 60.629 0.825 25776 3538 1 5 . 1 1 104 104 THR CB C 104 72.711 72.711 70.170 2.541 25776 3539 1 5 . 1 1 104 104 THR H H 104 7.321 7.321 7.738 -0.417 25776 3540 1 5 . 1 1 105 105 ASN C C 105 175.032 175.032 174.940 0.092 25776 3541 1 5 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.649 -0.236 25776 3542 1 5 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.831 0.012 25776 3543 1 5 . 1 1 106 106 SER N N 106 113.116 113.116 114.957 -1.841 25776 3544 1 5 . 1 1 106 106 SER C C 106 175.961 175.961 174.961 1.000 25776 3545 1 5 . 1 1 106 106 SER CA C 106 59.289 59.289 57.845 1.444 25776 3546 1 5 . 1 1 106 106 SER CB C 106 65.208 65.208 64.356 0.852 25776 3547 1 5 . 1 1 106 106 SER H H 106 7.487 7.487 7.603 -0.116 25776 3548 1 5 . 1 1 107 107 ALA N N 107 132.317 132.317 127.420 4.897 25776 3549 1 5 . 1 1 107 107 ALA C C 107 176.554 176.554 177.262 -0.708 25776 3550 1 5 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.788 2.211 25776 3551 1 5 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.223 0.307 25776 3552 1 5 . 1 1 107 107 ALA H H 107 8.891 8.891 8.681 0.210 25776 3553 1 5 . 1 1 108 108 PHE N N 108 116.265 116.265 118.255 -1.990 25776 3554 1 5 . 1 1 108 108 PHE C C 108 174.254 174.254 175.350 -1.096 25776 3555 1 5 . 1 1 108 108 PHE CA C 108 56.664 56.664 58.399 -1.735 25776 3556 1 5 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.446 1.789 25776 3557 1 5 . 1 1 108 108 PHE H H 108 7.592 7.592 7.795 -0.203 25776 3558 1 5 . 1 1 109 109 GLN N N 109 128.401 128.401 122.879 5.522 25776 3559 1 5 . 1 1 109 109 GLN C C 109 172.298 172.298 173.883 -1.585 25776 3560 1 5 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.916 0.021 25776 3561 1 5 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.679 -0.699 25776 3562 1 5 . 1 1 109 109 GLN H H 109 9.095 9.095 8.481 0.614 25776 3563 1 5 . 1 1 110 110 PRO C C 110 175.005 175.005 175.727 -0.722 25776 3564 1 5 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.667 -0.443 25776 3565 1 5 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.583 1.546 25776 3566 1 5 . 1 1 111 111 TYR N N 111 115.731 115.731 118.945 -3.214 25776 3567 1 5 . 1 1 111 111 TYR C C 111 173.783 173.783 174.851 -1.068 25776 3568 1 5 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.242 -0.170 25776 3569 1 5 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.296 -3.861 25776 3570 1 5 . 1 1 111 111 TYR H H 111 8.510 8.510 9.022 -0.512 25776 3571 1 5 . 1 1 112 112 GLY N N 112 103.737 103.737 108.756 -5.019 25776 3572 1 5 . 1 1 112 112 GLY C C 112 172.014 172.014 172.480 -0.466 25776 3573 1 5 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.553 0.091 25776 3574 1 5 . 1 1 112 112 GLY H H 112 8.149 8.149 8.672 -0.523 25776 3575 1 5 . 1 1 113 113 GLY N N 113 108.372 108.372 109.699 -1.327 25776 3576 1 5 . 1 1 113 113 GLY C C 113 171.486 171.486 172.193 -0.707 25776 3577 1 5 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.730 1.110 25776 3578 1 5 . 1 1 113 113 GLY H H 113 9.028 9.028 8.462 0.566 25776 3579 1 5 . 1 1 114 114 LEU N N 114 120.469 120.469 119.293 1.176 25776 3580 1 5 . 1 1 114 114 LEU C C 114 175.878 175.878 175.663 0.215 25776 3581 1 5 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.738 1.873 25776 3582 1 5 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.505 2.472 25776 3583 1 5 . 1 1 114 114 LEU H H 114 8.741 8.741 7.782 0.959 25776 3584 1 5 . 1 1 115 115 GLY N N 115 111.145 111.145 105.885 5.260 25776 3585 1 5 . 1 1 115 115 GLY C C 115 171.336 171.336 172.162 -0.826 25776 3586 1 5 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.978 1.877 25776 3587 1 5 . 1 1 115 115 GLY H H 115 8.952 8.952 8.601 0.351 25776 3588 1 5 . 1 1 116 116 VAL N N 116 118.641 118.641 114.672 3.969 25776 3589 1 5 . 1 1 116 116 VAL C C 116 172.617 172.617 173.350 -0.733 25776 3590 1 5 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.471 1.245 25776 3591 1 5 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.015 2.357 25776 3592 1 5 . 1 1 116 116 VAL H H 116 8.844 8.844 8.403 0.441 25776 3593 1 5 . 1 1 117 117 ASN N N 117 123.839 123.839 120.854 2.985 25776 3594 1 5 . 1 1 117 117 ASN C C 117 171.105 171.105 173.508 -2.403 25776 3595 1 5 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.328 0.614 25776 3596 1 5 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.543 3.035 25776 3597 1 5 . 1 1 117 117 ASN H H 117 9.647 9.647 8.860 0.787 25776 3598 1 5 . 1 1 118 118 TYR N N 118 125.160 125.160 125.773 -0.613 25776 3599 1 5 . 1 1 118 118 TYR C C 118 174.349 174.349 174.812 -0.463 25776 3600 1 5 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.510 -0.952 25776 3601 1 5 . 1 1 118 118 TYR CB C 118 42.564 42.564 41.807 0.756 25776 3602 1 5 . 1 1 118 118 TYR H H 118 8.989 8.989 8.131 0.858 25776 3603 1 5 . 1 1 119 119 THR N N 119 124.319 124.319 119.543 4.776 25776 3604 1 5 . 1 1 119 119 THR C C 119 171.231 171.231 173.608 -2.377 25776 3605 1 5 . 1 1 119 119 THR CA C 119 62.951 62.951 61.115 1.836 25776 3606 1 5 . 1 1 119 119 THR CB C 119 72.427 72.427 69.599 2.828 25776 3607 1 5 . 1 1 119 119 THR H H 119 8.806 8.806 8.593 0.213 25776 3608 1 5 . 1 1 120 120 THR N N 120 119.978 119.978 122.771 -2.793 25776 3609 1 5 . 1 1 120 120 THR C C 120 171.174 171.174 173.460 -2.286 25776 3610 1 5 . 1 1 120 120 THR CA C 120 59.197 59.197 61.437 -2.240 25776 3611 1 5 . 1 1 120 120 THR CB C 120 72.088 72.088 70.569 1.519 25776 3612 1 5 . 1 1 120 120 THR H H 120 7.559 7.559 8.475 -0.916 25776 3613 1 5 . 1 1 121 121 PHE C C 121 175.289 175.289 173.876 1.413 25776 3614 1 5 . 1 1 121 121 PHE CB C 121 44.369 44.369 40.863 3.506 25776 3615 1 5 . 1 1 122 122 PHE N N 122 117.578 117.578 120.779 -3.201 25776 3616 1 5 . 1 1 122 122 PHE C C 122 172.555 172.555 175.928 -3.373 25776 3617 1 5 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.996 -1.113 25776 3618 1 5 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.520 -0.289 25776 3619 1 5 . 1 1 122 122 PHE H H 122 8.541 8.541 8.617 -0.076 25776 3620 1 5 . 1 1 123 123 ASP N N 123 116.448 116.448 119.856 -3.408 25776 3621 1 5 . 1 1 123 123 ASP C C 123 175.240 175.240 175.290 -0.050 25776 3622 1 5 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.624 2.209 25776 3623 1 5 . 1 1 123 123 ASP CB C 123 39.844 39.844 43.253 -3.409 25776 3624 1 5 . 1 1 123 123 ASP H H 123 8.940 8.940 8.709 0.231 25776 3625 1 5 . 1 1 124 124 GLU C C 124 177.545 177.545 176.175 1.370 25776 3626 1 5 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.658 3.232 25776 3627 1 5 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.799 -1.341 25776 3628 1 5 . 1 1 125 125 ASP N N 125 126.424 126.424 121.254 5.170 25776 3629 1 5 . 1 1 125 125 ASP C C 125 176.191 176.191 177.799 -1.608 25776 3630 1 5 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.854 -1.843 25776 3631 1 5 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.368 2.181 25776 3632 1 5 . 1 1 125 125 ASP H H 125 9.100 9.100 8.667 0.433 25776 3633 1 5 . 1 1 126 126 LEU N N 126 127.990 127.990 119.904 8.086 25776 3634 1 5 . 1 1 126 126 LEU C C 126 175.808 175.808 176.117 -0.309 25776 3635 1 5 . 1 1 126 126 LEU CA C 126 56.268 56.268 56.068 0.200 25776 3636 1 5 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.031 2.825 25776 3637 1 5 . 1 1 126 126 LEU H H 126 8.570 8.570 7.754 0.816 25776 3638 1 5 . 1 1 127 127 ALA N N 127 124.126 124.126 120.596 3.530 25776 3639 1 5 . 1 1 127 127 ALA C C 127 179.833 179.833 176.258 3.575 25776 3640 1 5 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.992 0.729 25776 3641 1 5 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.300 0.759 25776 3642 1 5 . 1 1 127 127 ALA H H 127 7.885 7.885 7.778 0.107 25776 3643 1 5 . 1 1 129 129 ASN C C 129 176.927 176.927 176.169 0.758 25776 3644 1 5 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.174 -1.701 25776 3645 1 5 . 1 1 130 130 ARG N N 130 117.748 117.748 120.086 -2.338 25776 3646 1 5 . 1 1 130 130 ARG C C 130 179.430 179.430 178.186 1.244 25776 3647 1 5 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.384 -1.541 25776 3648 1 5 . 1 1 130 130 ARG CB C 130 30.326 30.326 29.918 0.408 25776 3649 1 5 . 1 1 130 130 ARG H H 130 7.435 7.435 8.377 -0.942 25776 3650 1 5 . 1 1 131 131 LYS N N 131 122.261 122.261 120.996 1.265 25776 3651 1 5 . 1 1 131 131 LYS C C 131 180.937 180.937 177.380 3.557 25776 3652 1 5 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.434 2.027 25776 3653 1 5 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.962 0.949 25776 3654 1 5 . 1 1 131 131 LYS H H 131 7.945 7.945 8.323 -0.378 25776 3655 1 5 . 1 1 132 132 ALA N N 132 122.083 122.083 119.832 2.251 25776 3656 1 5 . 1 1 132 132 ALA C C 132 178.748 178.748 178.026 0.722 25776 3657 1 5 . 1 1 132 132 ALA CA C 132 55.369 55.369 53.193 2.176 25776 3658 1 5 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.138 0.991 25776 3659 1 5 . 1 1 132 132 ALA H H 132 7.770 7.770 8.176 -0.406 25776 3660 1 5 . 1 1 133 133 GLN N N 133 116.102 116.102 119.175 -3.073 25776 3661 1 5 . 1 1 133 133 GLN C C 133 175.525 175.525 175.859 -0.334 25776 3662 1 5 . 1 1 133 133 GLN CA C 133 57.098 57.098 54.946 2.152 25776 3663 1 5 . 1 1 133 133 GLN CB C 133 30.355 30.355 28.548 1.807 25776 3664 1 5 . 1 1 133 133 GLN H H 133 7.302 7.302 7.560 -0.258 25776 3665 1 5 . 1 1 134 134 GLY N N 134 104.444 104.444 107.674 -3.230 25776 3666 1 5 . 1 1 134 134 GLY C C 134 174.460 174.460 174.162 0.298 25776 3667 1 5 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.972 0.910 25776 3668 1 5 . 1 1 134 134 GLY H H 134 7.596 7.596 8.148 -0.552 25776 3669 1 5 . 1 1 135 135 PHE N N 135 119.775 119.775 119.422 0.353 25776 3670 1 5 . 1 1 135 135 PHE C C 135 174.922 174.922 175.324 -0.402 25776 3671 1 5 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.446 2.448 25776 3672 1 5 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.719 0.572 25776 3673 1 5 . 1 1 135 135 PHE H H 135 7.737 7.737 8.031 -0.294 25776 3674 1 5 . 1 1 136 136 SER N N 136 115.673 115.673 118.225 -2.552 25776 3675 1 5 . 1 1 136 136 SER C C 136 174.415 174.415 174.790 -0.375 25776 3676 1 5 . 1 1 136 136 SER CA C 136 59.679 59.679 59.644 0.035 25776 3677 1 5 . 1 1 136 136 SER CB C 136 66.246 66.246 64.326 1.921 25776 3678 1 5 . 1 1 136 136 SER H H 136 8.862 8.862 8.557 0.305 25776 3679 1 5 . 1 1 137 137 SER N N 137 114.341 114.341 115.178 -0.837 25776 3680 1 5 . 1 1 137 137 SER C C 137 172.164 172.164 173.744 -1.580 25776 3681 1 5 . 1 1 137 137 SER CA C 137 58.955 58.955 57.752 1.203 25776 3682 1 5 . 1 1 137 137 SER CB C 137 65.592 65.592 65.243 0.349 25776 3683 1 5 . 1 1 137 137 SER H H 137 7.912 7.912 7.755 0.157 25776 3684 1 5 . 1 1 138 138 MET N N 138 120.555 120.555 120.897 -0.342 25776 3685 1 5 . 1 1 138 138 MET C C 138 173.189 173.189 176.439 -3.250 25776 3686 1 5 . 1 1 138 138 MET CA C 138 55.879 55.879 54.819 1.060 25776 3687 1 5 . 1 1 138 138 MET CB C 138 36.962 36.962 32.701 4.261 25776 3688 1 5 . 1 1 138 138 MET H H 138 8.461 8.461 8.652 -0.191 25776 3689 1 5 . 1 1 141 141 GLN C C 141 176.182 176.182 176.364 -0.182 25776 3690 1 5 . 1 1 141 141 GLN CB C 141 31.435 31.435 31.083 0.352 25776 3691 1 5 . 1 1 142 142 ASP N N 142 124.414 124.414 120.392 4.022 25776 3692 1 5 . 1 1 142 142 ASP C C 142 175.702 175.702 175.885 -0.183 25776 3693 1 5 . 1 1 142 142 ASP CA C 142 56.307 56.307 55.808 0.499 25776 3694 1 5 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.526 0.212 25776 3695 1 5 . 1 1 142 142 ASP H H 142 8.728 8.728 8.788 -0.060 25776 3696 1 5 . 1 1 143 143 SER N N 143 114.920 114.920 111.951 2.969 25776 3697 1 5 . 1 1 143 143 SER C C 143 172.289 172.289 172.579 -0.290 25776 3698 1 5 . 1 1 143 143 SER CA C 143 57.652 57.652 57.696 -0.044 25776 3699 1 5 . 1 1 143 143 SER CB C 143 66.215 66.215 64.061 2.154 25776 3700 1 5 . 1 1 143 143 SER H H 143 8.703 8.703 7.955 0.748 25776 3701 1 5 . 1 1 144 144 TRP N N 144 126.444 126.444 119.764 6.680 25776 3702 1 5 . 1 1 144 144 TRP C C 144 177.307 177.307 174.998 2.309 25776 3703 1 5 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.812 1.063 25776 3704 1 5 . 1 1 144 144 TRP CB C 144 33.364 33.364 29.889 3.475 25776 3705 1 5 . 1 1 144 144 TRP H H 144 8.101 8.101 7.574 0.527 25776 3706 1 5 . 1 1 145 145 GLY N N 145 108.757 108.757 106.851 1.906 25776 3707 1 5 . 1 1 145 145 GLY C C 145 171.985 171.985 172.507 -0.522 25776 3708 1 5 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.769 2.779 25776 3709 1 5 . 1 1 145 145 GLY H H 145 8.889 8.889 8.456 0.433 25776 3710 1 5 . 1 1 146 146 LEU N N 146 121.579 121.579 121.409 0.170 25776 3711 1 5 . 1 1 146 146 LEU C C 146 174.909 174.909 176.065 -1.156 25776 3712 1 5 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.688 1.487 25776 3713 1 5 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.810 2.353 25776 3714 1 5 . 1 1 146 146 LEU H H 146 9.035 9.035 8.358 0.677 25776 3715 1 5 . 1 1 147 147 ALA N N 147 121.342 121.342 124.136 -2.794 25776 3716 1 5 . 1 1 147 147 ALA C C 147 175.588 175.588 176.411 -0.823 25776 3717 1 5 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.748 1.186 25776 3718 1 5 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.892 2.213 25776 3719 1 5 . 1 1 147 147 ALA H H 147 8.123 8.123 8.888 -0.765 25776 3720 1 5 . 1 1 148 148 GLY N N 148 106.598 106.598 107.416 -0.818 25776 3721 1 5 . 1 1 148 148 GLY C C 148 171.829 171.829 172.032 -0.203 25776 3722 1 5 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.286 -0.538 25776 3723 1 5 . 1 1 148 148 GLY H H 148 9.216 9.216 8.112 1.104 25776 3724 1 5 . 1 1 149 149 GLU N N 149 122.775 122.775 122.209 0.566 25776 3725 1 5 . 1 1 149 149 GLU C C 149 174.078 174.078 174.375 -0.297 25776 3726 1 5 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.510 0.292 25776 3727 1 5 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.341 4.074 25776 3728 1 5 . 1 1 149 149 GLU H H 149 8.493 8.493 8.273 0.220 25776 3729 1 5 . 1 1 150 150 LEU N N 150 126.310 126.310 126.542 -0.232 25776 3730 1 5 . 1 1 150 150 LEU C C 150 174.309 174.309 174.994 -0.685 25776 3731 1 5 . 1 1 150 150 LEU CA C 150 54.942 54.942 53.693 1.249 25776 3732 1 5 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.274 3.217 25776 3733 1 5 . 1 1 150 150 LEU H H 150 8.580 8.580 8.198 0.382 25776 3734 1 5 . 1 1 151 151 GLY N N 151 109.909 109.909 113.609 -3.700 25776 3735 1 5 . 1 1 151 151 GLY C C 151 170.538 170.538 172.005 -1.467 25776 3736 1 5 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.227 0.393 25776 3737 1 5 . 1 1 151 151 GLY H H 151 8.115 8.115 9.302 -1.187 25776 3738 1 5 . 1 1 152 152 PHE N N 152 111.012 111.012 114.879 -3.867 25776 3739 1 5 . 1 1 152 152 PHE C C 152 171.455 171.455 173.266 -1.811 25776 3740 1 5 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.227 2.485 25776 3741 1 5 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.285 0.210 25776 3742 1 5 . 1 1 152 152 PHE H H 152 8.365 8.365 8.659 -0.294 25776 3743 1 5 . 1 1 153 153 ASP N N 153 119.057 119.057 122.232 -3.175 25776 3744 1 5 . 1 1 153 153 ASP C C 153 176.522 176.522 174.972 1.550 25776 3745 1 5 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.863 -0.397 25776 3746 1 5 . 1 1 153 153 ASP CB C 153 45.097 45.097 42.790 2.307 25776 3747 1 5 . 1 1 153 153 ASP H H 153 8.014 8.014 9.136 -1.122 25776 3748 1 5 . 1 1 154 154 TYR N N 154 123.640 123.640 127.668 -4.028 25776 3749 1 5 . 1 1 154 154 TYR C C 154 175.593 175.593 174.771 0.822 25776 3750 1 5 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.665 1.223 25776 3751 1 5 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.521 4.301 25776 3752 1 5 . 1 1 154 154 TYR H H 154 9.744 9.744 7.975 1.769 25776 3753 1 5 . 1 1 155 155 MET N N 155 126.409 126.409 123.171 3.238 25776 3754 1 5 . 1 1 155 155 MET C C 155 174.938 174.938 175.239 -0.301 25776 3755 1 5 . 1 1 155 155 MET CA C 155 55.410 55.410 55.527 -0.117 25776 3756 1 5 . 1 1 155 155 MET CB C 155 29.170 29.170 33.073 -3.903 25776 3757 1 5 . 1 1 155 155 MET H H 155 8.659 8.659 7.976 0.683 25776 3758 1 5 . 1 1 156 156 LEU N N 156 125.396 125.396 124.620 0.776 25776 3759 1 5 . 1 1 156 156 LEU C C 156 177.567 177.567 177.658 -0.091 25776 3760 1 5 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.680 0.893 25776 3761 1 5 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.009 0.903 25776 3762 1 5 . 1 1 156 156 LEU H H 156 9.232 9.232 8.548 0.684 25776 3763 1 5 . 1 1 157 157 ASN N N 157 114.903 114.903 114.726 0.177 25776 3764 1 5 . 1 1 157 157 ASN C C 157 173.568 173.568 175.818 -2.250 25776 3765 1 5 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.883 -1.691 25776 3766 1 5 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.913 0.998 25776 3767 1 5 . 1 1 157 157 ASN H H 157 8.099 8.099 7.984 0.115 25776 3768 1 5 . 1 1 158 158 GLU N N 158 114.724 114.724 118.322 -3.598 25776 3769 1 5 . 1 1 158 158 GLU C C 158 176.032 176.032 177.311 -1.279 25776 3770 1 5 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.907 2.771 25776 3771 1 5 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.174 0.341 25776 3772 1 5 . 1 1 158 158 GLU H H 158 8.625 8.625 8.667 -0.042 25776 3773 1 5 . 1 1 159 159 HIS N N 159 111.022 111.022 115.356 -4.334 25776 3774 1 5 . 1 1 159 159 HIS C C 159 173.158 173.158 174.451 -1.293 25776 3775 1 5 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.927 0.509 25776 3776 1 5 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.670 0.722 25776 3777 1 5 . 1 1 159 159 HIS H H 159 8.201 8.201 8.122 0.079 25776 3778 1 5 . 1 1 160 160 ALA N N 160 122.967 122.967 121.124 1.843 25776 3779 1 5 . 1 1 160 160 ALA C C 160 176.212 176.212 174.670 1.542 25776 3780 1 5 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.760 0.562 25776 3781 1 5 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.770 1.656 25776 3782 1 5 . 1 1 160 160 ALA H H 160 8.389 8.389 7.565 0.824 25776 3783 1 5 . 1 1 161 161 LEU N N 161 116.648 116.648 115.628 1.020 25776 3784 1 5 . 1 1 161 161 LEU C C 161 174.922 174.922 175.538 -0.616 25776 3785 1 5 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.977 0.908 25776 3786 1 5 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.504 1.991 25776 3787 1 5 . 1 1 161 161 LEU H H 161 8.616 8.616 8.698 -0.082 25776 3788 1 5 . 1 1 162 162 PHE N N 162 121.938 121.938 119.423 2.515 25776 3789 1 5 . 1 1 162 162 PHE C C 162 171.989 171.989 174.868 -2.879 25776 3790 1 5 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.031 -0.013 25776 3791 1 5 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.071 1.018 25776 3792 1 5 . 1 1 162 162 PHE H H 162 9.221 9.221 8.449 0.772 25776 3793 1 5 . 1 1 163 163 ASN N N 163 127.932 127.932 123.034 4.898 25776 3794 1 5 . 1 1 163 163 ASN C C 163 171.357 171.357 173.483 -2.126 25776 3795 1 5 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.658 0.291 25776 3796 1 5 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.298 5.742 25776 3797 1 5 . 1 1 163 163 ASN H H 163 7.735 7.735 8.325 -0.590 25776 3798 1 5 . 1 1 164 164 MET N N 164 120.121 120.121 126.332 -6.211 25776 3799 1 5 . 1 1 164 164 MET C C 164 172.837 172.837 173.432 -0.595 25776 3800 1 5 . 1 1 164 164 MET CA C 164 55.914 55.914 53.723 2.191 25776 3801 1 5 . 1 1 164 164 MET CB C 164 38.643 38.643 36.388 2.256 25776 3802 1 5 . 1 1 164 164 MET H H 164 7.092 7.092 8.702 -1.610 25776 3803 1 5 . 1 1 165 165 ALA N N 165 120.745 120.745 126.090 -5.345 25776 3804 1 5 . 1 1 165 165 ALA C C 165 174.047 174.047 174.482 -0.435 25776 3805 1 5 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.433 0.981 25776 3806 1 5 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.610 0.533 25776 3807 1 5 . 1 1 165 165 ALA H H 165 8.370 8.370 8.902 -0.532 25776 3808 1 5 . 1 1 166 166 VAL N N 166 118.385 118.385 118.945 -0.560 25776 3809 1 5 . 1 1 166 166 VAL C C 166 172.556 172.556 174.887 -2.331 25776 3810 1 5 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.089 -1.461 25776 3811 1 5 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.848 3.279 25776 3812 1 5 . 1 1 166 166 VAL H H 166 8.723 8.723 8.168 0.555 25776 3813 1 5 . 1 1 167 167 TRP N N 167 123.258 123.258 129.688 -6.430 25776 3814 1 5 . 1 1 167 167 TRP C C 167 174.016 174.016 175.142 -1.126 25776 3815 1 5 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.264 2.340 25776 3816 1 5 . 1 1 167 167 TRP CB C 167 33.659 33.659 31.066 2.593 25776 3817 1 5 . 1 1 167 167 TRP H H 167 9.312 9.312 8.508 0.804 25776 3818 1 5 . 1 1 168 168 TYR N N 168 121.455 121.455 126.527 -5.072 25776 3819 1 5 . 1 1 168 168 TYR C C 168 175.110 175.110 174.097 1.013 25776 3820 1 5 . 1 1 168 168 TYR CA C 168 57.186 57.186 56.958 0.228 25776 3821 1 5 . 1 1 168 168 TYR CB C 168 42.440 42.440 42.115 0.325 25776 3822 1 5 . 1 1 168 168 TYR H H 168 8.398 8.398 8.496 -0.098 25776 3823 1 5 . 1 1 169 169 MET N N 169 124.800 124.800 119.801 4.999 25776 3824 1 5 . 1 1 169 169 MET C C 169 172.688 172.688 174.432 -1.744 25776 3825 1 5 . 1 1 169 169 MET CA C 169 55.640 55.640 54.600 1.040 25776 3826 1 5 . 1 1 169 169 MET CB C 169 34.143 34.143 35.530 -1.387 25776 3827 1 5 . 1 1 169 169 MET H H 169 8.131 8.131 8.455 -0.324 25776 3828 1 5 . 1 1 170 170 ASP N N 170 122.780 122.780 123.477 -0.697 25776 3829 1 5 . 1 1 170 170 ASP C C 170 174.864 174.864 175.215 -0.351 25776 3830 1 5 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.586 1.297 25776 3831 1 5 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.012 0.666 25776 3832 1 5 . 1 1 170 170 ASP H H 170 8.191 8.191 8.446 -0.255 25776 3833 1 5 . 1 1 171 171 ILE N N 171 127.252 127.252 118.497 8.755 25776 3834 1 5 . 1 1 171 171 ILE C C 171 174.476 174.476 174.914 -0.438 25776 3835 1 5 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.580 -0.637 25776 3836 1 5 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.673 1.848 25776 3837 1 5 . 1 1 171 171 ILE H H 171 7.805 7.805 8.000 -0.195 25776 3838 1 5 . 1 1 172 172 ASP N N 172 129.369 129.369 128.181 1.188 25776 3839 1 5 . 1 1 172 172 ASP C C 172 174.520 174.520 175.083 -0.563 25776 3840 1 5 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.263 -0.462 25776 3841 1 5 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.449 1.640 25776 3842 1 5 . 1 1 172 172 ASP H H 172 8.541 8.541 8.567 -0.026 25776 3843 1 5 . 1 1 173 173 THR N N 173 118.920 118.920 115.465 3.455 25776 3844 1 5 . 1 1 173 173 THR C C 173 172.170 172.170 173.851 -1.681 25776 3845 1 5 . 1 1 173 173 THR CA C 173 60.936 60.936 61.445 -0.509 25776 3846 1 5 . 1 1 173 173 THR CB C 173 70.002 70.002 69.867 0.135 25776 3847 1 5 . 1 1 173 173 THR H H 173 8.814 8.814 7.934 0.880 25776 3848 1 5 . 1 1 176 176 SER C C 176 174.672 174.672 175.485 -0.813 25776 3849 1 5 . 1 1 176 176 SER CA C 176 58.834 58.834 58.684 0.150 25776 3850 1 5 . 1 1 176 176 SER CB C 176 64.984 64.984 63.103 1.881 25776 3851 1 5 . 1 1 177 177 ILE N N 177 121.645 121.645 125.226 -3.581 25776 3852 1 5 . 1 1 177 177 ILE C C 177 174.945 174.945 176.536 -1.591 25776 3853 1 5 . 1 1 177 177 ILE CA C 177 62.346 62.346 62.288 0.059 25776 3854 1 5 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.216 1.923 25776 3855 1 5 . 1 1 177 177 ILE H H 177 7.993 7.993 8.315 -0.322 25776 3856 1 5 . 1 1 178 178 ASN N N 178 127.223 127.223 119.730 7.493 25776 3857 1 5 . 1 1 178 178 ASN C C 178 179.120 179.120 175.284 3.836 25776 3858 1 5 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.038 2.624 25776 3859 1 5 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.621 3.297 25776 3860 1 5 . 1 1 178 178 ASN H H 178 7.882 7.882 7.952 -0.070 25776 3861 1 5 . 1 1 182 182 ALA N N 182 124.095 124.095 122.930 1.165 25776 3862 1 5 . 1 1 182 182 ALA C C 182 177.680 177.680 175.873 1.807 25776 3863 1 5 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.649 2.567 25776 3864 1 5 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.933 -0.164 25776 3865 1 5 . 1 1 182 182 ALA H H 182 8.100 8.100 7.673 0.427 25776 3866 1 5 . 1 1 183 183 LEU N N 183 118.394 118.394 121.449 -3.055 25776 3867 1 5 . 1 1 183 183 LEU C C 183 177.352 177.352 176.752 0.600 25776 3868 1 5 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.991 0.836 25776 3869 1 5 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.262 -0.078 25776 3870 1 5 . 1 1 183 183 LEU H H 183 7.854 7.854 8.382 -0.528 25776 3871 1 5 . 1 1 184 184 GLY N N 184 107.897 107.897 111.181 -3.284 25776 3872 1 5 . 1 1 184 184 GLY C C 184 174.288 174.288 173.338 0.950 25776 3873 1 5 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.930 1.746 25776 3874 1 5 . 1 1 184 184 GLY H H 184 7.883 7.883 8.097 -0.214 25776 3875 1 5 . 1 1 185 185 VAL N N 185 118.254 118.254 118.739 -0.485 25776 3876 1 5 . 1 1 185 185 VAL C C 185 175.475 175.475 175.457 0.018 25776 3877 1 5 . 1 1 185 185 VAL CA C 185 63.048 63.048 62.296 0.752 25776 3878 1 5 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.765 0.706 25776 3879 1 5 . 1 1 185 185 VAL H H 185 7.676 7.676 8.054 -0.378 25776 3880 1 5 . 1 1 186 186 ASN N N 186 121.756 121.756 120.783 0.973 25776 3881 1 5 . 1 1 186 186 ASN C C 186 174.724 174.724 175.454 -0.730 25776 3882 1 5 . 1 1 186 186 ASN CA C 186 54.593 54.593 54.110 0.483 25776 3883 1 5 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.595 1.303 25776 3884 1 5 . 1 1 186 186 ASN H H 186 8.331 8.331 8.222 0.109 25776 3885 1 5 . 1 1 187 187 LYS N N 187 120.959 120.959 124.445 -3.486 25776 3886 1 5 . 1 1 187 187 LYS C C 187 174.652 174.652 177.237 -2.585 25776 3887 1 5 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.553 0.645 25776 3888 1 5 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.435 0.608 25776 3889 1 5 . 1 1 187 187 LYS H H 187 8.031 8.031 8.457 -0.426 25776 3890 1 5 . 1 1 189 189 LYS C C 189 176.088 176.088 176.185 -0.097 25776 3891 1 5 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.578 1.864 25776 3892 1 5 . 1 1 190 190 VAL N N 190 121.122 121.122 122.299 -1.177 25776 3893 1 5 . 1 1 190 190 VAL C C 190 175.545 175.545 176.473 -0.928 25776 3894 1 5 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.350 -0.229 25776 3895 1 5 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.102 1.846 25776 3896 1 5 . 1 1 190 190 VAL H H 190 8.067 8.067 8.353 -0.286 25776 3897 1 5 . 1 1 191 191 ASP N N 191 124.022 124.022 122.009 2.013 25776 3898 1 5 . 1 1 191 191 ASP C C 191 175.710 175.710 175.473 0.237 25776 3899 1 5 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.502 0.767 25776 3900 1 5 . 1 1 191 191 ASP CB C 191 41.978 41.978 40.132 1.846 25776 3901 1 5 . 1 1 191 191 ASP H H 191 8.282 8.282 8.153 0.129 25776 3902 1 5 . 1 1 192 192 VAL N N 192 118.928 118.928 125.529 -6.601 25776 3903 1 5 . 1 1 192 192 VAL C C 192 175.433 175.433 175.676 -0.243 25776 3904 1 5 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.499 0.321 25776 3905 1 5 . 1 1 192 192 VAL CB C 192 34.105 34.105 31.518 2.587 25776 3906 1 5 . 1 1 192 192 VAL H H 192 7.877 7.877 7.825 0.052 25776 3907 1 5 . 1 1 193 193 ASP N N 193 124.364 124.364 129.111 -4.747 25776 3908 1 5 . 1 1 193 193 ASP C C 193 176.118 176.118 175.716 0.402 25776 3909 1 5 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.727 0.484 25776 3910 1 5 . 1 1 193 193 ASP CB C 193 42.033 42.033 40.631 1.402 25776 3911 1 5 . 1 1 193 193 ASP H H 193 8.335 8.335 8.412 -0.077 25776 3912 1 5 . 1 1 198 198 VAL N N 198 126.400 126.400 118.335 8.065 25776 3913 1 5 . 1 1 198 198 VAL C C 198 174.600 174.600 174.767 -0.167 25776 3914 1 5 . 1 1 198 198 VAL CA C 198 60.440 60.440 60.811 -0.371 25776 3915 1 5 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.343 1.757 25776 3916 1 5 . 1 1 198 198 VAL H H 198 8.474 8.474 7.604 0.870 25776 3917 1 5 . 1 1 199 199 TYR N N 199 123.900 123.900 117.860 6.040 25776 3918 1 5 . 1 1 199 199 TYR C C 199 173.600 173.600 173.927 -0.327 25776 3919 1 5 . 1 1 199 199 TYR CA C 199 55.510 55.510 55.781 -0.271 25776 3920 1 5 . 1 1 199 199 TYR CB C 199 40.630 40.630 39.972 0.658 25776 3921 1 5 . 1 1 199 199 TYR H H 199 8.748 8.748 7.679 1.069 25776 3922 1 5 . 1 1 200 200 MET N N 200 123.700 123.700 122.073 1.627 25776 3923 1 5 . 1 1 200 200 MET CA C 200 49.420 49.420 54.381 -4.961 25776 3924 1 5 . 1 1 200 200 MET H H 200 9.057 9.057 9.033 0.024 25776 3925 1 5 . 1 1 201 201 ILE C C 201 174.016 174.016 173.557 0.459 25776 3926 1 5 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.778 0.696 25776 3927 1 5 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.968 1.467 25776 3928 1 5 . 1 1 202 202 GLY N N 202 113.215 113.215 115.045 -1.830 25776 3929 1 5 . 1 1 202 202 GLY C C 202 170.124 170.124 171.652 -1.528 25776 3930 1 5 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.741 3.819 25776 3931 1 5 . 1 1 202 202 GLY H H 202 8.646 8.646 8.537 0.109 25776 3932 1 5 . 1 1 203 203 PHE N N 203 116.782 116.782 114.722 2.060 25776 3933 1 5 . 1 1 203 203 PHE C C 203 174.063 174.063 173.477 0.586 25776 3934 1 5 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.183 0.268 25776 3935 1 5 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.089 4.610 25776 3936 1 5 . 1 1 203 203 PHE H H 203 8.482 8.482 7.650 0.832 25776 3937 1 5 . 1 1 204 204 GLY N N 204 105.936 105.936 109.492 -3.556 25776 3938 1 5 . 1 1 204 204 GLY C C 204 171.097 171.097 171.674 -0.577 25776 3939 1 5 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.152 3.322 25776 3940 1 5 . 1 1 204 204 GLY H H 204 9.003 9.003 8.030 0.973 25776 3941 1 5 . 1 1 205 205 TYR N N 205 121.196 121.196 113.053 8.143 25776 3942 1 5 . 1 1 205 205 TYR C C 205 172.994 172.994 173.347 -0.353 25776 3943 1 5 . 1 1 205 205 TYR CA C 205 57.686 57.686 55.803 1.883 25776 3944 1 5 . 1 1 205 205 TYR CB C 205 45.190 45.190 41.282 3.908 25776 3945 1 5 . 1 1 205 205 TYR H H 205 9.413 9.413 7.702 1.711 25776 3946 1 5 . 1 1 206 206 LYS N N 206 126.788 126.788 120.999 5.789 25776 3947 1 5 . 1 1 206 206 LYS C C 206 174.161 174.161 175.433 -1.272 25776 3948 1 5 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.635 -0.205 25776 3949 1 5 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.082 2.343 25776 3950 1 5 . 1 1 206 206 LYS H H 206 8.364 8.364 8.337 0.027 25776 3951 1 5 . 1 1 207 207 PHE N N 207 126.168 126.168 123.642 2.526 25776 3952 1 5 . 1 1 207 207 PHE C C 207 175.094 175.094 175.025 0.069 25776 3953 1 5 . 1 1 207 207 PHE CA C 207 58.690 58.690 59.025 -0.335 25776 3954 1 5 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.368 1.295 25776 3955 1 5 . 1 1 207 207 PHE H H 207 9.308 9.308 8.071 1.237 25776 3956 1 5 . 1 1 208 208 LEU N N 208 123.199 123.199 123.596 -0.397 25776 3957 1 5 . 1 1 208 208 LEU C C 208 176.580 176.580 175.654 0.926 25776 3958 1 5 . 1 1 208 208 LEU CA C 208 55.471 55.471 55.105 0.366 25776 3959 1 5 . 1 1 208 208 LEU CB C 208 44.713 44.713 44.843 -0.130 25776 3960 1 5 . 1 1 208 208 LEU H H 208 8.376 8.376 7.882 0.494 25776 3961 1 5 . 1 1 209 209 GLU N N 209 121.960 121.960 120.561 1.399 25776 3962 1 5 . 1 1 209 209 GLU C C 209 176.226 176.226 175.615 0.611 25776 3963 1 5 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.704 1.028 25776 3964 1 5 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.403 0.050 25776 3965 1 5 . 1 1 209 209 GLU H H 209 8.500 8.500 8.689 -0.189 25776 3966 1 6 . 1 1 2 2 HIS C C 2 175.393 175.393 173.931 1.462 25776 3967 1 6 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.605 -1.801 25776 3968 1 6 . 1 1 2 2 HIS CB C 2 30.780 30.780 29.757 1.023 25776 3969 1 6 . 1 1 3 3 LYS N N 3 121.908 121.908 123.166 -1.258 25776 3970 1 6 . 1 1 3 3 LYS C C 3 173.475 173.475 174.271 -0.796 25776 3971 1 6 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.685 -0.658 25776 3972 1 6 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.454 -1.254 25776 3973 1 6 . 1 1 3 3 LYS H H 3 8.608 8.608 7.962 0.646 25776 3974 1 6 . 1 1 4 4 ALA N N 4 120.771 120.771 122.100 -1.329 25776 3975 1 6 . 1 1 4 4 ALA C C 4 178.118 178.118 178.321 -0.203 25776 3976 1 6 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.959 0.480 25776 3977 1 6 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.428 -0.379 25776 3978 1 6 . 1 1 4 4 ALA H H 4 8.581 8.581 8.377 0.204 25776 3979 1 6 . 1 1 5 5 GLY N N 5 112.807 112.807 111.921 0.886 25776 3980 1 6 . 1 1 5 5 GLY C C 5 173.788 173.788 173.446 0.342 25776 3981 1 6 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.492 0.328 25776 3982 1 6 . 1 1 5 5 GLY H H 5 9.170 9.170 8.000 1.170 25776 3983 1 6 . 1 1 6 6 ASP N N 6 121.504 121.504 122.675 -1.171 25776 3984 1 6 . 1 1 6 6 ASP C C 6 174.307 174.307 174.261 0.046 25776 3985 1 6 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.250 1.568 25776 3986 1 6 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.740 -0.165 25776 3987 1 6 . 1 1 6 6 ASP H H 6 7.619 7.619 7.332 0.287 25776 3988 1 6 . 1 1 7 7 PHE N N 7 121.212 121.212 124.811 -3.599 25776 3989 1 6 . 1 1 7 7 PHE C C 7 174.030 174.030 174.109 -0.079 25776 3990 1 6 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.633 -2.031 25776 3991 1 6 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.166 2.910 25776 3992 1 6 . 1 1 7 7 PHE H H 7 8.285 8.285 8.738 -0.453 25776 3993 1 6 . 1 1 8 8 ILE N N 8 128.185 128.185 127.183 1.002 25776 3994 1 6 . 1 1 8 8 ILE C C 8 173.961 173.961 174.338 -0.377 25776 3995 1 6 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.002 2.721 25776 3996 1 6 . 1 1 8 8 ILE CB C 8 43.669 43.669 40.330 3.339 25776 3997 1 6 . 1 1 8 8 ILE H H 8 9.245 9.245 8.239 1.006 25776 3998 1 6 . 1 1 9 9 ILE N N 9 125.624 125.624 127.373 -1.749 25776 3999 1 6 . 1 1 9 9 ILE C C 9 173.731 173.731 173.652 0.079 25776 4000 1 6 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.728 0.562 25776 4001 1 6 . 1 1 9 9 ILE CB C 9 42.091 42.091 41.194 0.897 25776 4002 1 6 . 1 1 9 9 ILE H H 9 8.628 8.628 8.843 -0.215 25776 4003 1 6 . 1 1 10 10 ARG N N 10 125.025 125.025 125.768 -0.743 25776 4004 1 6 . 1 1 10 10 ARG C C 10 175.074 175.074 174.462 0.612 25776 4005 1 6 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.209 0.285 25776 4006 1 6 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.771 -1.999 25776 4007 1 6 . 1 1 10 10 ARG H H 10 9.225 9.225 9.028 0.197 25776 4008 1 6 . 1 1 11 11 GLY N N 11 106.141 106.141 111.023 -4.882 25776 4009 1 6 . 1 1 11 11 GLY C C 11 171.959 171.959 172.149 -0.190 25776 4010 1 6 . 1 1 11 11 GLY CA C 11 45.207 45.207 46.000 -0.793 25776 4011 1 6 . 1 1 11 11 GLY H H 11 8.885 8.885 8.800 0.085 25776 4012 1 6 . 1 1 12 12 GLY N N 12 107.818 107.818 107.954 -0.136 25776 4013 1 6 . 1 1 12 12 GLY C C 12 171.465 171.465 171.615 -0.150 25776 4014 1 6 . 1 1 12 12 GLY CA C 12 47.313 47.313 43.994 3.319 25776 4015 1 6 . 1 1 12 12 GLY H H 12 8.433 8.433 7.872 0.561 25776 4016 1 6 . 1 1 13 13 PHE N N 13 120.233 120.233 119.847 0.386 25776 4017 1 6 . 1 1 13 13 PHE C C 13 174.056 174.056 175.218 -1.162 25776 4018 1 6 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.524 -0.373 25776 4019 1 6 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.547 0.078 25776 4020 1 6 . 1 1 13 13 PHE H H 13 8.606 8.606 8.710 -0.104 25776 4021 1 6 . 1 1 18 18 PRO C C 18 176.552 176.552 176.931 -0.379 25776 4022 1 6 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.931 1.160 25776 4023 1 6 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.618 1.031 25776 4024 1 6 . 1 1 19 19 ASP N N 19 121.094 121.094 117.635 3.459 25776 4025 1 6 . 1 1 19 19 ASP C C 19 176.047 176.047 175.569 0.478 25776 4026 1 6 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.583 -0.309 25776 4027 1 6 . 1 1 19 19 ASP CB C 19 42.043 42.043 39.798 2.245 25776 4028 1 6 . 1 1 19 19 ASP H H 19 8.372 8.372 8.712 -0.340 25776 4029 1 6 . 1 1 20 20 ASP N N 20 123.179 123.179 117.254 5.925 25776 4030 1 6 . 1 1 20 20 ASP C C 20 176.790 176.790 176.769 0.021 25776 4031 1 6 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.157 -0.062 25776 4032 1 6 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.603 0.231 25776 4033 1 6 . 1 1 20 20 ASP H H 20 8.357 8.357 8.741 -0.384 25776 4034 1 6 . 1 1 21 21 SER N N 21 117.319 117.319 114.345 2.974 25776 4035 1 6 . 1 1 21 21 SER C C 21 175.218 175.218 174.911 0.307 25776 4036 1 6 . 1 1 21 21 SER CA C 21 60.134 60.134 58.132 2.002 25776 4037 1 6 . 1 1 21 21 SER CB C 21 64.701 64.701 64.283 0.418 25776 4038 1 6 . 1 1 21 21 SER H H 21 8.398 8.398 7.933 0.465 25776 4039 1 6 . 1 1 22 22 SER N N 22 117.994 117.994 118.017 -0.023 25776 4040 1 6 . 1 1 22 22 SER C C 22 174.877 174.877 173.606 1.271 25776 4041 1 6 . 1 1 22 22 SER CA C 22 59.839 59.839 60.613 -0.774 25776 4042 1 6 . 1 1 22 22 SER CB C 22 64.669 64.669 62.415 2.254 25776 4043 1 6 . 1 1 22 22 SER H H 22 8.314 8.314 8.637 -0.323 25776 4044 1 6 . 1 1 23 23 SER N N 23 117.809 117.809 117.524 0.285 25776 4045 1 6 . 1 1 23 23 SER C C 23 174.298 174.298 172.993 1.305 25776 4046 1 6 . 1 1 23 23 SER CA C 23 59.629 59.629 57.349 2.280 25776 4047 1 6 . 1 1 23 23 SER CB C 23 64.802 64.802 65.384 -0.582 25776 4048 1 6 . 1 1 23 23 SER H H 23 8.143 8.143 8.115 0.028 25776 4049 1 6 . 1 1 24 24 ASP N N 24 122.829 122.829 119.768 3.061 25776 4050 1 6 . 1 1 24 24 ASP C C 24 176.250 176.250 177.177 -0.927 25776 4051 1 6 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.420 2.073 25776 4052 1 6 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.849 -0.008 25776 4053 1 6 . 1 1 24 24 ASP H H 24 8.234 8.234 8.446 -0.212 25776 4054 1 6 . 1 1 25 25 ILE N N 25 120.717 120.717 120.004 0.713 25776 4055 1 6 . 1 1 25 25 ILE C C 25 176.204 176.204 175.821 0.383 25776 4056 1 6 . 1 1 25 25 ILE CA C 25 62.556 62.556 62.996 -0.440 25776 4057 1 6 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.421 1.247 25776 4058 1 6 . 1 1 25 25 ILE H H 25 7.884 7.884 8.164 -0.280 25776 4059 1 6 . 1 1 26 26 LYS N N 26 124.527 124.527 120.536 3.991 25776 4060 1 6 . 1 1 26 26 LYS C C 26 176.616 176.616 176.478 0.138 25776 4061 1 6 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.566 1.626 25776 4062 1 6 . 1 1 26 26 LYS CB C 26 33.809 33.809 31.328 2.481 25776 4063 1 6 . 1 1 26 26 LYS H H 26 8.164 8.164 8.046 0.118 25776 4064 1 6 . 1 1 27 27 LEU N N 27 123.292 123.292 123.855 -0.563 25776 4065 1 6 . 1 1 27 27 LEU C C 27 177.077 177.077 176.545 0.532 25776 4066 1 6 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.606 0.567 25776 4067 1 6 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.587 0.730 25776 4068 1 6 . 1 1 27 27 LEU H H 27 8.100 8.100 8.685 -0.585 25776 4069 1 6 . 1 1 28 28 ASP N N 28 121.059 121.059 117.422 3.637 25776 4070 1 6 . 1 1 28 28 ASP C C 28 176.929 176.929 176.362 0.567 25776 4071 1 6 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.205 1.143 25776 4072 1 6 . 1 1 28 28 ASP CB C 28 42.075 42.075 42.239 -0.164 25776 4073 1 6 . 1 1 28 28 ASP H H 28 8.209 8.209 7.927 0.282 25776 4074 1 6 . 1 1 29 29 GLY N N 29 110.032 110.032 109.343 0.689 25776 4075 1 6 . 1 1 29 29 GLY C C 29 174.364 174.364 173.033 1.331 25776 4076 1 6 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.150 1.728 25776 4077 1 6 . 1 1 29 29 GLY H H 29 8.274 8.274 8.617 -0.343 25776 4078 1 6 . 1 1 30 30 ALA N N 30 124.102 124.102 122.595 1.507 25776 4079 1 6 . 1 1 30 30 ALA C C 30 178.005 178.005 176.919 1.086 25776 4080 1 6 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.279 1.545 25776 4081 1 6 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.778 0.349 25776 4082 1 6 . 1 1 30 30 ALA H H 30 8.085 8.085 8.099 -0.014 25776 4083 1 6 . 1 1 31 31 LYS N N 31 119.810 119.810 119.411 0.399 25776 4084 1 6 . 1 1 31 31 LYS C C 31 176.650 176.650 175.217 1.433 25776 4085 1 6 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.673 0.799 25776 4086 1 6 . 1 1 31 31 LYS CB C 31 33.948 33.948 31.616 2.332 25776 4087 1 6 . 1 1 31 31 LYS H H 31 8.075 8.075 8.341 -0.266 25776 4088 1 6 . 1 1 32 32 GLN N N 32 121.045 121.045 119.395 1.650 25776 4089 1 6 . 1 1 32 32 GLN C C 32 175.862 175.862 175.829 0.033 25776 4090 1 6 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.531 1.408 25776 4091 1 6 . 1 1 32 32 GLN CB C 32 30.194 30.194 28.960 1.234 25776 4092 1 6 . 1 1 32 32 GLN H H 32 8.182 8.182 8.345 -0.163 25776 4093 1 6 . 1 1 33 33 ARG N N 33 122.683 122.683 123.827 -1.144 25776 4094 1 6 . 1 1 33 33 ARG C C 33 176.492 176.492 177.059 -0.567 25776 4095 1 6 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.420 0.662 25776 4096 1 6 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.798 1.154 25776 4097 1 6 . 1 1 33 33 ARG H H 33 8.288 8.288 8.792 -0.504 25776 4098 1 6 . 1 1 36 36 LYS C C 36 176.028 176.028 175.598 0.430 25776 4099 1 6 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.005 1.218 25776 4100 1 6 . 1 1 36 36 LYS CB C 36 34.262 34.262 35.047 -0.784 25776 4101 1 6 . 1 1 37 37 ALA N N 37 125.793 125.793 126.427 -0.634 25776 4102 1 6 . 1 1 37 37 ALA C C 37 177.567 177.567 176.622 0.945 25776 4103 1 6 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.899 1.669 25776 4104 1 6 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.246 1.162 25776 4105 1 6 . 1 1 37 37 ALA H H 37 8.329 8.329 8.294 0.035 25776 4106 1 6 . 1 1 38 38 THR N N 38 113.398 113.398 114.672 -1.274 25776 4107 1 6 . 1 1 38 38 THR C C 38 174.556 174.556 174.199 0.357 25776 4108 1 6 . 1 1 38 38 THR CA C 38 62.551 62.551 61.812 0.739 25776 4109 1 6 . 1 1 38 38 THR CB C 38 71.054 71.054 70.231 0.823 25776 4110 1 6 . 1 1 38 38 THR H H 38 8.007 8.007 8.139 -0.132 25776 4111 1 6 . 1 1 39 39 VAL N N 39 120.865 120.865 121.348 -0.483 25776 4112 1 6 . 1 1 39 39 VAL C C 39 175.523 175.523 176.527 -1.004 25776 4113 1 6 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.582 0.518 25776 4114 1 6 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.850 1.194 25776 4115 1 6 . 1 1 39 39 VAL H H 39 8.043 8.043 8.300 -0.257 25776 4116 1 6 . 1 1 40 40 ASP N N 40 124.053 124.053 116.603 7.450 25776 4117 1 6 . 1 1 40 40 ASP C C 40 176.132 176.132 176.678 -0.546 25776 4118 1 6 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.722 0.559 25776 4119 1 6 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.653 0.566 25776 4120 1 6 . 1 1 40 40 ASP H H 40 8.333 8.333 8.276 0.057 25776 4121 1 6 . 1 1 41 41 SER N N 41 115.655 115.655 114.571 1.084 25776 4122 1 6 . 1 1 41 41 SER C C 41 174.147 174.147 172.945 1.202 25776 4123 1 6 . 1 1 41 41 SER CA C 41 59.367 59.367 58.712 0.654 25776 4124 1 6 . 1 1 41 41 SER CB C 41 65.027 65.027 64.616 0.411 25776 4125 1 6 . 1 1 41 41 SER H H 41 8.142 8.142 7.840 0.302 25776 4126 1 6 . 1 1 42 42 ASP N N 42 123.005 123.005 121.598 1.407 25776 4127 1 6 . 1 1 42 42 ASP C C 42 176.578 176.578 174.718 1.860 25776 4128 1 6 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.845 0.594 25776 4129 1 6 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.078 1.327 25776 4130 1 6 . 1 1 42 42 ASP H H 42 8.433 8.433 8.183 0.250 25776 4131 1 6 . 1 1 43 43 THR C C 43 176.244 176.244 174.131 2.113 25776 4132 1 6 . 1 1 43 43 THR CA C 43 62.772 62.772 61.408 1.363 25776 4133 1 6 . 1 1 43 43 THR CB C 43 71.018 71.018 69.900 1.118 25776 4134 1 6 . 1 1 44 44 GLN N N 44 123.824 123.824 122.037 1.787 25776 4135 1 6 . 1 1 44 44 GLN C C 44 177.061 177.061 174.770 2.291 25776 4136 1 6 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.411 1.868 25776 4137 1 6 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.482 4.180 25776 4138 1 6 . 1 1 44 44 GLN H H 44 8.270 8.270 7.779 0.491 25776 4139 1 6 . 1 1 45 45 LEU N N 45 122.159 122.159 128.419 -6.260 25776 4140 1 6 . 1 1 45 45 LEU C C 45 176.419 176.419 176.465 -0.046 25776 4141 1 6 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.646 1.472 25776 4142 1 6 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.751 -0.130 25776 4143 1 6 . 1 1 45 45 LEU H H 45 7.940 7.940 8.156 -0.216 25776 4144 1 6 . 1 1 46 46 GLY N N 46 107.861 107.861 113.944 -6.083 25776 4145 1 6 . 1 1 46 46 GLY C C 46 171.538 171.538 172.488 -0.950 25776 4146 1 6 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.171 0.604 25776 4147 1 6 . 1 1 46 46 GLY H H 46 8.566 8.566 7.972 0.594 25776 4148 1 6 . 1 1 47 47 LEU N N 47 122.959 122.959 125.453 -2.494 25776 4149 1 6 . 1 1 47 47 LEU C C 47 175.422 175.422 175.945 -0.523 25776 4150 1 6 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.289 0.042 25776 4151 1 6 . 1 1 47 47 LEU CB C 47 48.343 48.343 43.962 4.381 25776 4152 1 6 . 1 1 47 47 LEU H H 47 8.457 8.457 7.888 0.569 25776 4153 1 6 . 1 1 48 48 THR N N 48 112.144 112.144 119.585 -7.441 25776 4154 1 6 . 1 1 48 48 THR C C 48 172.347 172.347 173.184 -0.837 25776 4155 1 6 . 1 1 48 48 THR CA C 48 59.573 59.573 61.016 -1.443 25776 4156 1 6 . 1 1 48 48 THR CB C 48 72.843 72.843 71.341 1.502 25776 4157 1 6 . 1 1 48 48 THR H H 48 8.814 8.814 9.052 -0.238 25776 4158 1 6 . 1 1 49 49 PHE N N 49 118.787 118.787 125.437 -6.650 25776 4159 1 6 . 1 1 49 49 PHE C C 49 174.623 174.623 174.794 -0.171 25776 4160 1 6 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.935 -2.198 25776 4161 1 6 . 1 1 49 49 PHE CB C 49 42.986 42.986 41.728 1.258 25776 4162 1 6 . 1 1 49 49 PHE H H 49 8.455 8.455 9.289 -0.834 25776 4163 1 6 . 1 1 50 50 THR N N 50 121.279 121.279 120.866 0.413 25776 4164 1 6 . 1 1 50 50 THR C C 50 173.272 173.272 173.056 0.216 25776 4165 1 6 . 1 1 50 50 THR CA C 50 63.315 63.315 60.188 3.127 25776 4166 1 6 . 1 1 50 50 THR CB C 50 74.327 74.327 70.196 4.131 25776 4167 1 6 . 1 1 50 50 THR H H 50 9.372 9.372 9.045 0.327 25776 4168 1 6 . 1 1 51 51 TYR N N 51 126.005 126.005 130.840 -4.835 25776 4169 1 6 . 1 1 51 51 TYR C C 51 174.837 174.837 174.055 0.782 25776 4170 1 6 . 1 1 51 51 TYR CA C 51 56.860 56.860 58.317 -1.457 25776 4171 1 6 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.378 3.069 25776 4172 1 6 . 1 1 51 51 TYR H H 51 9.157 9.157 8.342 0.815 25776 4173 1 6 . 1 1 52 52 MET N N 52 127.601 127.601 126.020 1.581 25776 4174 1 6 . 1 1 52 52 MET C C 52 174.466 174.466 174.761 -0.295 25776 4175 1 6 . 1 1 52 52 MET CA C 52 53.171 53.171 55.102 -1.931 25776 4176 1 6 . 1 1 52 52 MET CB C 52 29.467 29.467 32.178 -2.711 25776 4177 1 6 . 1 1 52 52 MET H H 52 7.998 7.998 8.398 -0.400 25776 4178 1 6 . 1 1 53 53 PHE N N 53 123.918 123.918 125.859 -1.941 25776 4179 1 6 . 1 1 53 53 PHE C C 53 173.685 173.685 175.600 -1.915 25776 4180 1 6 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.968 0.646 25776 4181 1 6 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.309 -2.198 25776 4182 1 6 . 1 1 53 53 PHE H H 53 7.762 7.762 9.179 -1.417 25776 4183 1 6 . 1 1 54 54 ALA N N 54 125.892 125.892 123.560 2.332 25776 4184 1 6 . 1 1 54 54 ALA C C 54 174.976 174.976 178.187 -3.211 25776 4185 1 6 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.945 -2.502 25776 4186 1 6 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.167 4.367 25776 4187 1 6 . 1 1 54 54 ALA H H 54 8.396 8.396 8.920 -0.524 25776 4188 1 6 . 1 1 55 55 ASP N N 55 118.951 118.951 120.110 -1.159 25776 4189 1 6 . 1 1 55 55 ASP C C 55 174.777 174.777 176.060 -1.283 25776 4190 1 6 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.897 2.243 25776 4191 1 6 . 1 1 55 55 ASP CB C 55 40.948 40.948 39.889 1.059 25776 4192 1 6 . 1 1 55 55 ASP H H 55 8.632 8.632 9.085 -0.453 25776 4193 1 6 . 1 1 56 56 LYS N N 56 106.363 106.363 117.847 -11.484 25776 4194 1 6 . 1 1 56 56 LYS C C 56 174.930 174.930 174.887 0.043 25776 4195 1 6 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.177 -0.307 25776 4196 1 6 . 1 1 56 56 LYS CB C 56 35.437 35.437 33.002 2.435 25776 4197 1 6 . 1 1 56 56 LYS H H 56 7.300 7.300 8.592 -1.292 25776 4198 1 6 . 1 1 57 57 TRP N N 57 115.784 115.784 122.240 -6.456 25776 4199 1 6 . 1 1 57 57 TRP C C 57 173.960 173.960 175.503 -1.543 25776 4200 1 6 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.537 -0.580 25776 4201 1 6 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.690 2.486 25776 4202 1 6 . 1 1 57 57 TRP H H 57 6.612 6.612 8.125 -1.513 25776 4203 1 6 . 1 1 58 58 GLY N N 58 107.657 107.657 104.909 2.748 25776 4204 1 6 . 1 1 58 58 GLY C C 58 172.720 172.720 171.422 1.298 25776 4205 1 6 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.346 0.438 25776 4206 1 6 . 1 1 58 58 GLY H H 58 9.271 9.271 7.104 2.167 25776 4207 1 6 . 1 1 59 59 VAL N N 59 118.434 118.434 116.311 2.123 25776 4208 1 6 . 1 1 59 59 VAL C C 59 172.973 172.973 175.003 -2.030 25776 4209 1 6 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.407 0.230 25776 4210 1 6 . 1 1 59 59 VAL CB C 59 36.036 36.036 33.239 2.797 25776 4211 1 6 . 1 1 59 59 VAL H H 59 9.080 9.080 7.887 1.193 25776 4212 1 6 . 1 1 60 60 GLU N N 60 127.915 127.915 128.144 -0.229 25776 4213 1 6 . 1 1 60 60 GLU C C 60 174.464 174.464 174.554 -0.090 25776 4214 1 6 . 1 1 60 60 GLU CA C 60 53.751 53.751 55.157 -1.406 25776 4215 1 6 . 1 1 60 60 GLU CB C 60 36.042 36.042 32.685 3.357 25776 4216 1 6 . 1 1 60 60 GLU H H 60 9.431 9.431 9.219 0.212 25776 4217 1 6 . 1 1 61 61 LEU N N 61 127.764 127.764 128.206 -0.442 25776 4218 1 6 . 1 1 61 61 LEU C C 61 174.746 174.746 174.562 0.184 25776 4219 1 6 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.190 -0.199 25776 4220 1 6 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.564 1.316 25776 4221 1 6 . 1 1 61 61 LEU H H 61 8.730 8.730 8.934 -0.204 25776 4222 1 6 . 1 1 62 62 VAL N N 62 126.465 126.465 127.177 -0.712 25776 4223 1 6 . 1 1 62 62 VAL C C 62 174.453 174.453 173.599 0.854 25776 4224 1 6 . 1 1 62 62 VAL CA C 62 62.285 62.285 60.527 1.758 25776 4225 1 6 . 1 1 62 62 VAL CB C 62 35.086 35.086 34.133 0.953 25776 4226 1 6 . 1 1 62 62 VAL H H 62 9.068 9.068 8.341 0.727 25776 4227 1 6 . 1 1 63 63 ALA N N 63 130.444 130.444 127.646 2.798 25776 4228 1 6 . 1 1 63 63 ALA C C 63 174.030 174.030 174.981 -0.951 25776 4229 1 6 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.181 -0.931 25776 4230 1 6 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.010 1.493 25776 4231 1 6 . 1 1 63 63 ALA H H 63 9.124 9.124 8.863 0.261 25776 4232 1 6 . 1 1 64 64 ALA N N 64 121.285 121.285 124.340 -3.055 25776 4233 1 6 . 1 1 64 64 ALA C C 64 176.843 176.843 177.306 -0.463 25776 4234 1 6 . 1 1 64 64 ALA CA C 64 52.170 52.170 50.934 1.236 25776 4235 1 6 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.300 2.872 25776 4236 1 6 . 1 1 64 64 ALA H H 64 7.995 7.995 8.349 -0.354 25776 4237 1 6 . 1 1 65 65 THR N N 65 109.734 109.734 117.264 -7.530 25776 4238 1 6 . 1 1 65 65 THR C C 65 176.739 176.739 173.407 3.332 25776 4239 1 6 . 1 1 65 65 THR CA C 65 61.660 61.660 60.448 1.212 25776 4240 1 6 . 1 1 65 65 THR CB C 65 68.341 68.341 69.103 -0.761 25776 4241 1 6 . 1 1 65 65 THR H H 65 8.108 8.108 8.403 -0.295 25776 4242 1 6 . 1 1 67 67 PHE N N 67 123.676 123.676 120.622 3.054 25776 4243 1 6 . 1 1 67 67 PHE CA C 67 56.849 56.849 59.382 -2.533 25776 4244 1 6 . 1 1 67 67 PHE H H 67 8.382 8.382 8.414 -0.032 25776 4245 1 6 . 1 1 74 74 LYS C C 74 177.704 177.704 177.142 0.562 25776 4246 1 6 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.317 -0.289 25776 4247 1 6 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.571 0.491 25776 4248 1 6 . 1 1 75 75 GLY N N 75 108.841 108.841 109.591 -0.750 25776 4249 1 6 . 1 1 75 75 GLY C C 75 174.405 174.405 173.371 1.034 25776 4250 1 6 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.608 2.104 25776 4251 1 6 . 1 1 75 75 GLY H H 75 8.069 8.069 7.921 0.148 25776 4252 1 6 . 1 1 76 76 LEU N N 76 120.093 120.093 121.215 -1.122 25776 4253 1 6 . 1 1 76 76 LEU C C 76 176.997 176.997 176.671 0.326 25776 4254 1 6 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.847 1.333 25776 4255 1 6 . 1 1 76 76 LEU CB C 76 45.997 45.997 44.682 1.315 25776 4256 1 6 . 1 1 76 76 LEU H H 76 7.623 7.623 8.137 -0.514 25776 4257 1 6 . 1 1 79 79 GLY C C 79 175.675 175.675 173.321 2.354 25776 4258 1 6 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.692 2.407 25776 4259 1 6 . 1 1 80 80 LEU N N 80 130.062 130.062 120.908 9.154 25776 4260 1 6 . 1 1 80 80 LEU C C 80 176.062 176.062 176.040 0.022 25776 4261 1 6 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.147 1.257 25776 4262 1 6 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.863 -0.857 25776 4263 1 6 . 1 1 80 80 LEU H H 80 9.441 9.441 7.610 1.831 25776 4264 1 6 . 1 1 81 81 ASP N N 81 124.816 124.816 125.102 -0.286 25776 4265 1 6 . 1 1 81 81 ASP C C 81 178.992 178.992 176.578 2.414 25776 4266 1 6 . 1 1 81 81 ASP CA C 81 55.769 55.769 55.003 0.766 25776 4267 1 6 . 1 1 81 81 ASP CB C 81 41.947 41.947 40.713 1.234 25776 4268 1 6 . 1 1 81 81 ASP H H 81 7.854 7.854 8.743 -0.889 25776 4269 1 6 . 1 1 91 91 PRO C C 91 175.297 175.297 176.059 -0.762 25776 4270 1 6 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.148 -1.315 25776 4271 1 6 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.462 1.069 25776 4272 1 6 . 1 1 92 92 ALA N N 92 123.521 123.521 124.148 -0.627 25776 4273 1 6 . 1 1 92 92 ALA C C 92 175.643 175.643 175.533 0.110 25776 4274 1 6 . 1 1 92 92 ALA CA C 92 52.675 52.675 52.009 0.666 25776 4275 1 6 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.713 0.012 25776 4276 1 6 . 1 1 92 92 ALA H H 92 8.829 8.829 8.798 0.031 25776 4277 1 6 . 1 1 93 93 THR N N 93 117.599 117.599 118.106 -0.507 25776 4278 1 6 . 1 1 93 93 THR C C 93 171.440 171.440 173.060 -1.620 25776 4279 1 6 . 1 1 93 93 THR CA C 93 62.066 62.066 62.349 -0.283 25776 4280 1 6 . 1 1 93 93 THR CB C 93 72.352 72.352 71.842 0.510 25776 4281 1 6 . 1 1 93 93 THR H H 93 8.237 8.237 8.209 0.028 25776 4282 1 6 . 1 1 94 94 LEU N N 94 129.530 129.530 128.025 1.505 25776 4283 1 6 . 1 1 94 94 LEU C C 94 174.995 174.995 174.039 0.956 25776 4284 1 6 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.224 0.970 25776 4285 1 6 . 1 1 94 94 LEU CB C 94 47.165 47.165 46.239 0.926 25776 4286 1 6 . 1 1 94 94 LEU H H 94 8.732 8.732 8.196 0.536 25776 4287 1 6 . 1 1 95 95 LEU N N 95 124.181 124.181 118.134 6.047 25776 4288 1 6 . 1 1 95 95 LEU C C 95 175.270 175.270 173.985 1.285 25776 4289 1 6 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.666 0.867 25776 4290 1 6 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.255 1.417 25776 4291 1 6 . 1 1 95 95 LEU H H 95 9.485 9.485 9.094 0.391 25776 4292 1 6 . 1 1 96 96 LEU N N 96 123.444 123.444 122.044 1.400 25776 4293 1 6 . 1 1 96 96 LEU C C 96 174.997 174.997 176.437 -1.440 25776 4294 1 6 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.141 1.172 25776 4295 1 6 . 1 1 96 96 LEU CB C 96 45.148 45.148 42.507 2.641 25776 4296 1 6 . 1 1 96 96 LEU H H 96 8.836 8.836 8.969 -0.133 25776 4297 1 6 . 1 1 97 97 GLN N N 97 121.545 121.545 123.067 -1.522 25776 4298 1 6 . 1 1 97 97 GLN C C 97 174.324 174.324 175.058 -0.734 25776 4299 1 6 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.764 0.624 25776 4300 1 6 . 1 1 97 97 GLN CB C 97 37.524 37.524 30.825 6.699 25776 4301 1 6 . 1 1 97 97 GLN H H 97 9.566 9.566 8.751 0.815 25776 4302 1 6 . 1 1 98 98 TYR N N 98 122.246 122.246 121.073 1.173 25776 4303 1 6 . 1 1 98 98 TYR C C 98 173.409 173.409 174.757 -1.348 25776 4304 1 6 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.192 0.463 25776 4305 1 6 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.280 1.928 25776 4306 1 6 . 1 1 98 98 TYR H H 98 9.053 9.053 9.271 -0.218 25776 4307 1 6 . 1 1 99 99 TYR N N 99 126.872 126.872 121.800 5.072 25776 4308 1 6 . 1 1 99 99 TYR C C 99 175.310 175.310 174.212 1.098 25776 4309 1 6 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.901 -1.145 25776 4310 1 6 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.161 2.474 25776 4311 1 6 . 1 1 99 99 TYR H H 99 8.344 8.344 8.353 -0.009 25776 4312 1 6 . 1 1 100 100 PRO C C 100 178.304 178.304 176.928 1.376 25776 4313 1 6 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.062 0.348 25776 4314 1 6 . 1 1 100 100 PRO CB C 100 33.107 33.107 31.825 1.282 25776 4315 1 6 . 1 1 101 101 MET N N 101 114.703 114.703 116.680 -1.977 25776 4316 1 6 . 1 1 101 101 MET C C 101 178.218 178.218 176.659 1.559 25776 4317 1 6 . 1 1 101 101 MET CA C 101 54.147 54.147 55.663 -1.516 25776 4318 1 6 . 1 1 101 101 MET CB C 101 30.956 30.956 33.750 -2.794 25776 4319 1 6 . 1 1 101 101 MET H H 101 9.432 9.432 8.010 1.422 25776 4320 1 6 . 1 1 102 102 GLY N N 102 117.671 117.671 106.594 11.077 25776 4321 1 6 . 1 1 102 102 GLY C C 102 175.611 175.611 174.893 0.718 25776 4322 1 6 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.240 2.212 25776 4323 1 6 . 1 1 102 102 GLY H H 102 8.671 8.671 7.850 0.821 25776 4324 1 6 . 1 1 103 103 GLY N N 103 111.298 111.298 109.218 2.080 25776 4325 1 6 . 1 1 103 103 GLY C C 103 174.054 174.054 173.670 0.384 25776 4326 1 6 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.056 1.764 25776 4327 1 6 . 1 1 103 103 GLY H H 103 9.436 9.436 8.480 0.956 25776 4328 1 6 . 1 1 104 104 THR N N 104 109.330 109.330 111.306 -1.976 25776 4329 1 6 . 1 1 104 104 THR C C 104 174.248 174.248 173.317 0.931 25776 4330 1 6 . 1 1 104 104 THR CA C 104 61.454 61.454 60.051 1.403 25776 4331 1 6 . 1 1 104 104 THR CB C 104 72.711 72.711 70.056 2.655 25776 4332 1 6 . 1 1 104 104 THR H H 104 7.321 7.321 7.669 -0.348 25776 4333 1 6 . 1 1 105 105 ASN C C 105 175.032 175.032 175.575 -0.543 25776 4334 1 6 . 1 1 105 105 ASN CA C 105 53.413 53.413 52.966 0.447 25776 4335 1 6 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.593 0.250 25776 4336 1 6 . 1 1 106 106 SER N N 106 113.116 113.116 116.933 -3.817 25776 4337 1 6 . 1 1 106 106 SER C C 106 175.961 175.961 174.244 1.717 25776 4338 1 6 . 1 1 106 106 SER CA C 106 59.289 59.289 57.759 1.530 25776 4339 1 6 . 1 1 106 106 SER CB C 106 65.208 65.208 63.808 1.400 25776 4340 1 6 . 1 1 106 106 SER H H 106 7.487 7.487 7.315 0.172 25776 4341 1 6 . 1 1 107 107 ALA N N 107 132.317 132.317 124.760 7.557 25776 4342 1 6 . 1 1 107 107 ALA C C 107 176.554 176.554 177.712 -1.158 25776 4343 1 6 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.366 2.633 25776 4344 1 6 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.121 0.409 25776 4345 1 6 . 1 1 107 107 ALA H H 107 8.891 8.891 8.286 0.605 25776 4346 1 6 . 1 1 108 108 PHE N N 108 116.265 116.265 115.398 0.867 25776 4347 1 6 . 1 1 108 108 PHE C C 108 174.254 174.254 175.266 -1.012 25776 4348 1 6 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.029 0.635 25776 4349 1 6 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.160 2.075 25776 4350 1 6 . 1 1 108 108 PHE H H 108 7.592 7.592 7.202 0.390 25776 4351 1 6 . 1 1 109 109 GLN N N 109 128.401 128.401 121.148 7.253 25776 4352 1 6 . 1 1 109 109 GLN C C 109 172.298 172.298 174.001 -1.703 25776 4353 1 6 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.380 -0.443 25776 4354 1 6 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.021 0.959 25776 4355 1 6 . 1 1 109 109 GLN H H 109 9.095 9.095 8.297 0.798 25776 4356 1 6 . 1 1 110 110 PRO C C 110 175.005 175.005 175.749 -0.744 25776 4357 1 6 . 1 1 110 110 PRO CA C 110 62.224 62.224 63.210 -0.986 25776 4358 1 6 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.618 1.511 25776 4359 1 6 . 1 1 111 111 TYR N N 111 115.731 115.731 116.951 -1.220 25776 4360 1 6 . 1 1 111 111 TYR C C 111 173.783 173.783 173.689 0.094 25776 4361 1 6 . 1 1 111 111 TYR CA C 111 57.072 57.072 58.216 -1.144 25776 4362 1 6 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.256 -3.821 25776 4363 1 6 . 1 1 111 111 TYR H H 111 8.510 8.510 8.199 0.311 25776 4364 1 6 . 1 1 112 112 GLY N N 112 103.737 103.737 107.752 -4.015 25776 4365 1 6 . 1 1 112 112 GLY C C 112 172.014 172.014 171.877 0.137 25776 4366 1 6 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.977 0.666 25776 4367 1 6 . 1 1 112 112 GLY H H 112 8.149 8.149 8.087 0.062 25776 4368 1 6 . 1 1 113 113 GLY N N 113 108.372 108.372 106.980 1.392 25776 4369 1 6 . 1 1 113 113 GLY C C 113 171.486 171.486 171.906 -0.420 25776 4370 1 6 . 1 1 113 113 GLY CA C 113 46.840 46.840 46.061 0.779 25776 4371 1 6 . 1 1 113 113 GLY H H 113 9.028 9.028 8.457 0.571 25776 4372 1 6 . 1 1 114 114 LEU N N 114 120.469 120.469 114.411 6.058 25776 4373 1 6 . 1 1 114 114 LEU C C 114 175.878 175.878 174.424 1.454 25776 4374 1 6 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.687 0.924 25776 4375 1 6 . 1 1 114 114 LEU CB C 114 48.977 48.977 44.869 4.108 25776 4376 1 6 . 1 1 114 114 LEU H H 114 8.741 8.741 8.155 0.586 25776 4377 1 6 . 1 1 115 115 GLY N N 115 111.145 111.145 105.106 6.039 25776 4378 1 6 . 1 1 115 115 GLY C C 115 171.336 171.336 172.132 -0.796 25776 4379 1 6 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.804 2.051 25776 4380 1 6 . 1 1 115 115 GLY H H 115 8.952 8.952 8.073 0.879 25776 4381 1 6 . 1 1 116 116 VAL N N 116 118.641 118.641 116.288 2.353 25776 4382 1 6 . 1 1 116 116 VAL C C 116 172.617 172.617 173.991 -1.374 25776 4383 1 6 . 1 1 116 116 VAL CA C 116 60.716 60.716 58.023 2.693 25776 4384 1 6 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.123 3.249 25776 4385 1 6 . 1 1 116 116 VAL H H 116 8.844 8.844 8.298 0.546 25776 4386 1 6 . 1 1 117 117 ASN N N 117 123.839 123.839 122.412 1.427 25776 4387 1 6 . 1 1 117 117 ASN C C 117 171.105 171.105 173.382 -2.277 25776 4388 1 6 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.504 0.438 25776 4389 1 6 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.964 2.614 25776 4390 1 6 . 1 1 117 117 ASN H H 117 9.647 9.647 8.462 1.185 25776 4391 1 6 . 1 1 118 118 TYR N N 118 125.160 125.160 125.734 -0.574 25776 4392 1 6 . 1 1 118 118 TYR C C 118 174.349 174.349 173.841 0.508 25776 4393 1 6 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.939 -1.382 25776 4394 1 6 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.011 0.553 25776 4395 1 6 . 1 1 118 118 TYR H H 118 8.989 8.989 8.287 0.702 25776 4396 1 6 . 1 1 119 119 THR N N 119 124.319 124.319 116.851 7.468 25776 4397 1 6 . 1 1 119 119 THR C C 119 171.231 171.231 173.812 -2.581 25776 4398 1 6 . 1 1 119 119 THR CA C 119 62.951 62.951 60.736 2.215 25776 4399 1 6 . 1 1 119 119 THR CB C 119 72.427 72.427 71.276 1.151 25776 4400 1 6 . 1 1 119 119 THR H H 119 8.806 8.806 8.001 0.805 25776 4401 1 6 . 1 1 120 120 THR N N 120 119.978 119.978 120.964 -0.986 25776 4402 1 6 . 1 1 120 120 THR C C 120 171.174 171.174 173.644 -2.470 25776 4403 1 6 . 1 1 120 120 THR CA C 120 59.197 59.197 61.987 -2.790 25776 4404 1 6 . 1 1 120 120 THR CB C 120 72.088 72.088 70.177 1.911 25776 4405 1 6 . 1 1 120 120 THR H H 120 7.559 7.559 8.466 -0.907 25776 4406 1 6 . 1 1 121 121 PHE C C 121 175.289 175.289 173.338 1.951 25776 4407 1 6 . 1 1 121 121 PHE CB C 121 44.369 44.369 42.304 2.065 25776 4408 1 6 . 1 1 122 122 PHE N N 122 117.578 117.578 124.664 -7.086 25776 4409 1 6 . 1 1 122 122 PHE C C 122 172.555 172.555 173.117 -0.562 25776 4410 1 6 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.505 -1.621 25776 4411 1 6 . 1 1 122 122 PHE CB C 122 40.231 40.231 42.723 -2.492 25776 4412 1 6 . 1 1 122 122 PHE H H 122 8.541 8.541 8.039 0.502 25776 4413 1 6 . 1 1 123 123 ASP N N 123 116.448 116.448 120.179 -3.731 25776 4414 1 6 . 1 1 123 123 ASP C C 123 175.240 175.240 174.716 0.524 25776 4415 1 6 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.276 1.558 25776 4416 1 6 . 1 1 123 123 ASP CB C 123 39.844 39.844 40.608 -0.764 25776 4417 1 6 . 1 1 123 123 ASP H H 123 8.940 8.940 7.966 0.974 25776 4418 1 6 . 1 1 124 124 GLU C C 124 177.545 177.545 175.735 1.810 25776 4419 1 6 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.303 3.587 25776 4420 1 6 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.567 -1.109 25776 4421 1 6 . 1 1 125 125 ASP N N 125 126.424 126.424 121.710 4.714 25776 4422 1 6 . 1 1 125 125 ASP C C 125 176.191 176.191 177.575 -1.384 25776 4423 1 6 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.657 -0.646 25776 4424 1 6 . 1 1 125 125 ASP CB C 125 43.549 43.549 42.077 1.472 25776 4425 1 6 . 1 1 125 125 ASP H H 125 9.100 9.100 8.457 0.643 25776 4426 1 6 . 1 1 126 126 LEU N N 126 127.990 127.990 119.391 8.599 25776 4427 1 6 . 1 1 126 126 LEU C C 126 175.808 175.808 175.836 -0.028 25776 4428 1 6 . 1 1 126 126 LEU CA C 126 56.268 56.268 57.025 -0.756 25776 4429 1 6 . 1 1 126 126 LEU CB C 126 44.856 44.856 40.072 4.784 25776 4430 1 6 . 1 1 126 126 LEU H H 126 8.570 8.570 8.604 -0.034 25776 4431 1 6 . 1 1 127 127 ALA N N 127 124.126 124.126 121.175 2.951 25776 4432 1 6 . 1 1 127 127 ALA C C 127 179.833 179.833 177.879 1.954 25776 4433 1 6 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.939 0.782 25776 4434 1 6 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.984 0.075 25776 4435 1 6 . 1 1 127 127 ALA H H 127 7.885 7.885 7.855 0.030 25776 4436 1 6 . 1 1 129 129 ASN C C 129 176.927 176.927 175.007 1.920 25776 4437 1 6 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.901 -2.428 25776 4438 1 6 . 1 1 130 130 ARG N N 130 117.748 117.748 121.631 -3.883 25776 4439 1 6 . 1 1 130 130 ARG C C 130 179.430 179.430 177.869 1.561 25776 4440 1 6 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.198 -2.355 25776 4441 1 6 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.715 -0.389 25776 4442 1 6 . 1 1 130 130 ARG H H 130 7.435 7.435 8.713 -1.278 25776 4443 1 6 . 1 1 131 131 LYS N N 131 122.261 122.261 120.268 1.993 25776 4444 1 6 . 1 1 131 131 LYS C C 131 180.937 180.937 176.992 3.945 25776 4445 1 6 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.218 2.243 25776 4446 1 6 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.881 1.030 25776 4447 1 6 . 1 1 131 131 LYS H H 131 7.945 7.945 8.165 -0.220 25776 4448 1 6 . 1 1 132 132 ALA N N 132 122.083 122.083 119.972 2.111 25776 4449 1 6 . 1 1 132 132 ALA C C 132 178.748 178.748 178.738 0.010 25776 4450 1 6 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.082 1.287 25776 4451 1 6 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.504 0.625 25776 4452 1 6 . 1 1 132 132 ALA H H 132 7.770 7.770 8.057 -0.287 25776 4453 1 6 . 1 1 133 133 GLN N N 133 116.102 116.102 116.692 -0.590 25776 4454 1 6 . 1 1 133 133 GLN C C 133 175.525 175.525 177.268 -1.743 25776 4455 1 6 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.461 1.637 25776 4456 1 6 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.900 0.455 25776 4457 1 6 . 1 1 133 133 GLN H H 133 7.302 7.302 7.835 -0.533 25776 4458 1 6 . 1 1 134 134 GLY N N 134 104.444 104.444 108.980 -4.536 25776 4459 1 6 . 1 1 134 134 GLY C C 134 174.460 174.460 173.527 0.933 25776 4460 1 6 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.081 0.801 25776 4461 1 6 . 1 1 134 134 GLY H H 134 7.596 7.596 8.075 -0.479 25776 4462 1 6 . 1 1 135 135 PHE N N 135 119.775 119.775 118.625 1.150 25776 4463 1 6 . 1 1 135 135 PHE C C 135 174.922 174.922 174.762 0.160 25776 4464 1 6 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.753 2.141 25776 4465 1 6 . 1 1 135 135 PHE CB C 135 40.291 40.291 42.018 -1.727 25776 4466 1 6 . 1 1 135 135 PHE H H 135 7.737 7.737 7.496 0.241 25776 4467 1 6 . 1 1 136 136 SER N N 136 115.673 115.673 118.116 -2.443 25776 4468 1 6 . 1 1 136 136 SER C C 136 174.415 174.415 174.585 -0.170 25776 4469 1 6 . 1 1 136 136 SER CA C 136 59.679 59.679 59.477 0.202 25776 4470 1 6 . 1 1 136 136 SER CB C 136 66.246 66.246 63.333 2.913 25776 4471 1 6 . 1 1 136 136 SER H H 136 8.862 8.862 8.781 0.081 25776 4472 1 6 . 1 1 137 137 SER N N 137 114.341 114.341 114.470 -0.129 25776 4473 1 6 . 1 1 137 137 SER C C 137 172.164 172.164 175.418 -3.254 25776 4474 1 6 . 1 1 137 137 SER CA C 137 58.955 58.955 57.208 1.747 25776 4475 1 6 . 1 1 137 137 SER CB C 137 65.592 65.592 64.519 1.073 25776 4476 1 6 . 1 1 137 137 SER H H 137 7.912 7.912 7.748 0.164 25776 4477 1 6 . 1 1 138 138 MET N N 138 120.555 120.555 120.710 -0.155 25776 4478 1 6 . 1 1 138 138 MET C C 138 173.189 173.189 176.798 -3.609 25776 4479 1 6 . 1 1 138 138 MET CA C 138 55.879 55.879 59.154 -3.275 25776 4480 1 6 . 1 1 138 138 MET CB C 138 36.962 36.962 33.300 3.663 25776 4481 1 6 . 1 1 138 138 MET H H 138 8.461 8.461 8.915 -0.454 25776 4482 1 6 . 1 1 141 141 GLN C C 141 176.182 176.182 175.079 1.103 25776 4483 1 6 . 1 1 141 141 GLN CB C 141 31.435 31.435 30.024 1.411 25776 4484 1 6 . 1 1 142 142 ASP N N 142 124.414 124.414 119.446 4.968 25776 4485 1 6 . 1 1 142 142 ASP C C 142 175.702 175.702 174.961 0.741 25776 4486 1 6 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.952 1.355 25776 4487 1 6 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.441 0.297 25776 4488 1 6 . 1 1 142 142 ASP H H 142 8.728 8.728 8.278 0.450 25776 4489 1 6 . 1 1 143 143 SER N N 143 114.920 114.920 117.746 -2.826 25776 4490 1 6 . 1 1 143 143 SER C C 143 172.289 172.289 174.117 -1.828 25776 4491 1 6 . 1 1 143 143 SER CA C 143 57.652 57.652 57.661 -0.009 25776 4492 1 6 . 1 1 143 143 SER CB C 143 66.215 66.215 64.037 2.178 25776 4493 1 6 . 1 1 143 143 SER H H 143 8.703 8.703 8.169 0.534 25776 4494 1 6 . 1 1 144 144 TRP N N 144 126.444 126.444 125.291 1.153 25776 4495 1 6 . 1 1 144 144 TRP C C 144 177.307 177.307 174.868 2.439 25776 4496 1 6 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.415 1.460 25776 4497 1 6 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.374 2.990 25776 4498 1 6 . 1 1 144 144 TRP H H 144 8.101 8.101 7.754 0.347 25776 4499 1 6 . 1 1 145 145 GLY N N 145 108.757 108.757 105.522 3.235 25776 4500 1 6 . 1 1 145 145 GLY C C 145 171.985 171.985 172.751 -0.766 25776 4501 1 6 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.898 2.650 25776 4502 1 6 . 1 1 145 145 GLY H H 145 8.889 8.889 8.146 0.743 25776 4503 1 6 . 1 1 146 146 LEU N N 146 121.579 121.579 122.124 -0.545 25776 4504 1 6 . 1 1 146 146 LEU C C 146 174.909 174.909 176.593 -1.684 25776 4505 1 6 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.866 1.309 25776 4506 1 6 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.386 1.777 25776 4507 1 6 . 1 1 146 146 LEU H H 146 9.035 9.035 8.615 0.420 25776 4508 1 6 . 1 1 147 147 ALA N N 147 121.342 121.342 128.285 -6.943 25776 4509 1 6 . 1 1 147 147 ALA C C 147 175.588 175.588 176.172 -0.584 25776 4510 1 6 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.902 1.032 25776 4511 1 6 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.570 2.535 25776 4512 1 6 . 1 1 147 147 ALA H H 147 8.123 8.123 8.885 -0.762 25776 4513 1 6 . 1 1 148 148 GLY N N 148 106.598 106.598 105.591 1.007 25776 4514 1 6 . 1 1 148 148 GLY C C 148 171.829 171.829 171.853 -0.024 25776 4515 1 6 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.806 -0.058 25776 4516 1 6 . 1 1 148 148 GLY H H 148 9.216 9.216 7.711 1.505 25776 4517 1 6 . 1 1 149 149 GLU N N 149 122.775 122.775 121.749 1.026 25776 4518 1 6 . 1 1 149 149 GLU C C 149 174.078 174.078 174.374 -0.296 25776 4519 1 6 . 1 1 149 149 GLU CA C 149 55.802 55.802 56.054 -0.252 25776 4520 1 6 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.741 4.674 25776 4521 1 6 . 1 1 149 149 GLU H H 149 8.493 8.493 8.427 0.066 25776 4522 1 6 . 1 1 150 150 LEU N N 150 126.310 126.310 125.569 0.741 25776 4523 1 6 . 1 1 150 150 LEU C C 150 174.309 174.309 175.375 -1.066 25776 4524 1 6 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.446 0.496 25776 4525 1 6 . 1 1 150 150 LEU CB C 150 48.491 48.491 46.062 2.429 25776 4526 1 6 . 1 1 150 150 LEU H H 150 8.580 8.580 7.968 0.612 25776 4527 1 6 . 1 1 151 151 GLY N N 151 109.909 109.909 109.756 0.153 25776 4528 1 6 . 1 1 151 151 GLY C C 151 170.538 170.538 171.474 -0.936 25776 4529 1 6 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.970 0.650 25776 4530 1 6 . 1 1 151 151 GLY H H 151 8.115 8.115 8.537 -0.422 25776 4531 1 6 . 1 1 152 152 PHE N N 152 111.012 111.012 116.433 -5.421 25776 4532 1 6 . 1 1 152 152 PHE C C 152 171.455 171.455 173.798 -2.343 25776 4533 1 6 . 1 1 152 152 PHE CA C 152 58.712 58.712 57.515 1.197 25776 4534 1 6 . 1 1 152 152 PHE CB C 152 42.495 42.495 43.340 -0.846 25776 4535 1 6 . 1 1 152 152 PHE H H 152 8.365 8.365 9.004 -0.639 25776 4536 1 6 . 1 1 153 153 ASP N N 153 119.057 119.057 122.015 -2.958 25776 4537 1 6 . 1 1 153 153 ASP C C 153 176.522 176.522 175.154 1.368 25776 4538 1 6 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.579 -0.113 25776 4539 1 6 . 1 1 153 153 ASP CB C 153 45.097 45.097 42.798 2.299 25776 4540 1 6 . 1 1 153 153 ASP H H 153 8.014 8.014 8.967 -0.953 25776 4541 1 6 . 1 1 154 154 TYR N N 154 123.640 123.640 124.604 -0.964 25776 4542 1 6 . 1 1 154 154 TYR C C 154 175.593 175.593 175.609 -0.016 25776 4543 1 6 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.622 0.266 25776 4544 1 6 . 1 1 154 154 TYR CB C 154 42.822 42.822 37.768 5.054 25776 4545 1 6 . 1 1 154 154 TYR H H 154 9.744 9.744 8.935 0.809 25776 4546 1 6 . 1 1 155 155 MET N N 155 126.409 126.409 119.832 6.577 25776 4547 1 6 . 1 1 155 155 MET C C 155 174.938 174.938 175.557 -0.619 25776 4548 1 6 . 1 1 155 155 MET CA C 155 55.410 55.410 56.306 -0.896 25776 4549 1 6 . 1 1 155 155 MET CB C 155 29.170 29.170 33.285 -4.115 25776 4550 1 6 . 1 1 155 155 MET H H 155 8.659 8.659 7.972 0.687 25776 4551 1 6 . 1 1 156 156 LEU N N 156 125.396 125.396 124.178 1.218 25776 4552 1 6 . 1 1 156 156 LEU C C 156 177.567 177.567 177.943 -0.376 25776 4553 1 6 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.377 1.196 25776 4554 1 6 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.905 0.007 25776 4555 1 6 . 1 1 156 156 LEU H H 156 9.232 9.232 8.366 0.866 25776 4556 1 6 . 1 1 157 157 ASN N N 157 114.903 114.903 115.444 -0.541 25776 4557 1 6 . 1 1 157 157 ASN C C 157 173.568 173.568 175.952 -2.384 25776 4558 1 6 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.237 -2.045 25776 4559 1 6 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.087 0.823 25776 4560 1 6 . 1 1 157 157 ASN H H 157 8.099 8.099 8.159 -0.060 25776 4561 1 6 . 1 1 158 158 GLU N N 158 114.724 114.724 117.929 -3.205 25776 4562 1 6 . 1 1 158 158 GLU C C 158 176.032 176.032 177.065 -1.033 25776 4563 1 6 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.421 2.257 25776 4564 1 6 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.451 0.064 25776 4565 1 6 . 1 1 158 158 GLU H H 158 8.625 8.625 8.782 -0.157 25776 4566 1 6 . 1 1 159 159 HIS N N 159 111.022 111.022 113.942 -2.920 25776 4567 1 6 . 1 1 159 159 HIS C C 159 173.158 173.158 173.904 -0.746 25776 4568 1 6 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.337 1.099 25776 4569 1 6 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.758 0.634 25776 4570 1 6 . 1 1 159 159 HIS H H 159 8.201 8.201 8.069 0.132 25776 4571 1 6 . 1 1 160 160 ALA N N 160 122.967 122.967 119.235 3.732 25776 4572 1 6 . 1 1 160 160 ALA C C 160 176.212 176.212 174.929 1.283 25776 4573 1 6 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.281 1.041 25776 4574 1 6 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.560 1.866 25776 4575 1 6 . 1 1 160 160 ALA H H 160 8.389 8.389 7.459 0.930 25776 4576 1 6 . 1 1 161 161 LEU N N 161 116.648 116.648 117.725 -1.077 25776 4577 1 6 . 1 1 161 161 LEU C C 161 174.922 174.922 175.691 -0.769 25776 4578 1 6 . 1 1 161 161 LEU CA C 161 54.885 54.885 54.187 0.698 25776 4579 1 6 . 1 1 161 161 LEU CB C 161 46.495 46.495 45.399 1.096 25776 4580 1 6 . 1 1 161 161 LEU H H 161 8.616 8.616 8.254 0.362 25776 4581 1 6 . 1 1 162 162 PHE N N 162 121.938 121.938 119.456 2.482 25776 4582 1 6 . 1 1 162 162 PHE C C 162 171.989 171.989 174.251 -2.262 25776 4583 1 6 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.856 0.162 25776 4584 1 6 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.198 0.891 25776 4585 1 6 . 1 1 162 162 PHE H H 162 9.221 9.221 8.483 0.738 25776 4586 1 6 . 1 1 163 163 ASN N N 163 127.932 127.932 124.594 3.338 25776 4587 1 6 . 1 1 163 163 ASN C C 163 171.357 171.357 173.429 -2.072 25776 4588 1 6 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.913 0.036 25776 4589 1 6 . 1 1 163 163 ASN CB C 163 47.040 47.040 40.980 6.060 25776 4590 1 6 . 1 1 163 163 ASN H H 163 7.735 7.735 8.119 -0.384 25776 4591 1 6 . 1 1 164 164 MET N N 164 120.121 120.121 126.785 -6.664 25776 4592 1 6 . 1 1 164 164 MET C C 164 172.837 172.837 173.445 -0.608 25776 4593 1 6 . 1 1 164 164 MET CA C 164 55.914 55.914 54.179 1.735 25776 4594 1 6 . 1 1 164 164 MET CB C 164 38.643 38.643 36.179 2.464 25776 4595 1 6 . 1 1 164 164 MET H H 164 7.092 7.092 8.943 -1.851 25776 4596 1 6 . 1 1 165 165 ALA N N 165 120.745 120.745 128.074 -7.329 25776 4597 1 6 . 1 1 165 165 ALA C C 165 174.047 174.047 174.153 -0.106 25776 4598 1 6 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.504 0.910 25776 4599 1 6 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.930 0.213 25776 4600 1 6 . 1 1 165 165 ALA H H 165 8.370 8.370 9.329 -0.959 25776 4601 1 6 . 1 1 166 166 VAL N N 166 118.385 118.385 118.702 -0.317 25776 4602 1 6 . 1 1 166 166 VAL C C 166 172.556 172.556 174.289 -1.733 25776 4603 1 6 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.343 0.285 25776 4604 1 6 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.542 2.585 25776 4605 1 6 . 1 1 166 166 VAL H H 166 8.723 8.723 8.663 0.060 25776 4606 1 6 . 1 1 167 167 TRP N N 167 123.258 123.258 131.899 -8.641 25776 4607 1 6 . 1 1 167 167 TRP C C 167 174.016 174.016 174.942 -0.926 25776 4608 1 6 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.934 1.670 25776 4609 1 6 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.614 4.045 25776 4610 1 6 . 1 1 167 167 TRP H H 167 9.312 9.312 8.084 1.228 25776 4611 1 6 . 1 1 168 168 TYR N N 168 121.455 121.455 129.969 -8.514 25776 4612 1 6 . 1 1 168 168 TYR C C 168 175.110 175.110 175.124 -0.014 25776 4613 1 6 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.132 -0.946 25776 4614 1 6 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.359 3.081 25776 4615 1 6 . 1 1 168 168 TYR H H 168 8.398 8.398 8.853 -0.455 25776 4616 1 6 . 1 1 169 169 MET N N 169 124.800 124.800 124.182 0.618 25776 4617 1 6 . 1 1 169 169 MET C C 169 172.688 172.688 175.727 -3.039 25776 4618 1 6 . 1 1 169 169 MET CA C 169 55.640 55.640 55.033 0.607 25776 4619 1 6 . 1 1 169 169 MET CB C 169 34.143 34.143 33.352 0.791 25776 4620 1 6 . 1 1 169 169 MET H H 169 8.131 8.131 8.132 -0.001 25776 4621 1 6 . 1 1 170 170 ASP N N 170 122.780 122.780 118.994 3.786 25776 4622 1 6 . 1 1 170 170 ASP C C 170 174.864 174.864 175.272 -0.408 25776 4623 1 6 . 1 1 170 170 ASP CA C 170 54.883 54.883 54.106 0.777 25776 4624 1 6 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.305 0.373 25776 4625 1 6 . 1 1 170 170 ASP H H 170 8.191 8.191 8.288 -0.097 25776 4626 1 6 . 1 1 171 171 ILE N N 171 127.252 127.252 120.745 6.507 25776 4627 1 6 . 1 1 171 171 ILE C C 171 174.476 174.476 175.403 -0.927 25776 4628 1 6 . 1 1 171 171 ILE CA C 171 60.943 60.943 59.502 1.441 25776 4629 1 6 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.703 1.818 25776 4630 1 6 . 1 1 171 171 ILE H H 171 7.805 7.805 8.266 -0.461 25776 4631 1 6 . 1 1 172 172 ASP N N 172 129.369 129.369 125.538 3.831 25776 4632 1 6 . 1 1 172 172 ASP C C 172 174.520 174.520 175.494 -0.974 25776 4633 1 6 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.247 0.554 25776 4634 1 6 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.837 1.252 25776 4635 1 6 . 1 1 172 172 ASP H H 172 8.541 8.541 8.504 0.037 25776 4636 1 6 . 1 1 173 173 THR N N 173 118.920 118.920 115.969 2.951 25776 4637 1 6 . 1 1 173 173 THR C C 173 172.170 172.170 173.935 -1.765 25776 4638 1 6 . 1 1 173 173 THR CA C 173 60.936 60.936 61.810 -0.874 25776 4639 1 6 . 1 1 173 173 THR CB C 173 70.002 70.002 69.889 0.113 25776 4640 1 6 . 1 1 173 173 THR H H 173 8.814 8.814 8.222 0.592 25776 4641 1 6 . 1 1 176 176 SER C C 176 174.672 174.672 173.122 1.550 25776 4642 1 6 . 1 1 176 176 SER CA C 176 58.834 58.834 58.030 0.804 25776 4643 1 6 . 1 1 176 176 SER CB C 176 64.984 64.984 63.581 1.403 25776 4644 1 6 . 1 1 177 177 ILE N N 177 121.645 121.645 122.660 -1.015 25776 4645 1 6 . 1 1 177 177 ILE C C 177 174.945 174.945 175.668 -0.723 25776 4646 1 6 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.670 1.676 25776 4647 1 6 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.937 1.202 25776 4648 1 6 . 1 1 177 177 ILE H H 177 7.993 7.993 7.814 0.179 25776 4649 1 6 . 1 1 178 178 ASN N N 178 127.223 127.223 122.646 4.577 25776 4650 1 6 . 1 1 178 178 ASN C C 178 179.120 179.120 174.688 4.432 25776 4651 1 6 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.059 2.604 25776 4652 1 6 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.326 2.593 25776 4653 1 6 . 1 1 178 178 ASN H H 178 7.882 7.882 8.660 -0.778 25776 4654 1 6 . 1 1 182 182 ALA N N 182 124.095 124.095 122.725 1.370 25776 4655 1 6 . 1 1 182 182 ALA C C 182 177.680 177.680 176.043 1.637 25776 4656 1 6 . 1 1 182 182 ALA CA C 182 54.216 54.216 52.771 1.445 25776 4657 1 6 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.060 0.709 25776 4658 1 6 . 1 1 182 182 ALA H H 182 8.100 8.100 8.043 0.057 25776 4659 1 6 . 1 1 183 183 LEU N N 183 118.394 118.394 122.619 -4.225 25776 4660 1 6 . 1 1 183 183 LEU C C 183 177.352 177.352 176.188 1.164 25776 4661 1 6 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.111 0.716 25776 4662 1 6 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.632 -0.448 25776 4663 1 6 . 1 1 183 183 LEU H H 183 7.854 7.854 8.337 -0.483 25776 4664 1 6 . 1 1 184 184 GLY N N 184 107.897 107.897 111.815 -3.918 25776 4665 1 6 . 1 1 184 184 GLY C C 184 174.288 174.288 173.232 1.056 25776 4666 1 6 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.207 1.469 25776 4667 1 6 . 1 1 184 184 GLY H H 184 7.883 7.883 8.592 -0.709 25776 4668 1 6 . 1 1 185 185 VAL N N 185 118.254 118.254 118.277 -0.023 25776 4669 1 6 . 1 1 185 185 VAL C C 185 175.475 175.475 175.063 0.412 25776 4670 1 6 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.585 1.463 25776 4671 1 6 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.730 0.741 25776 4672 1 6 . 1 1 185 185 VAL H H 185 7.676 7.676 7.765 -0.089 25776 4673 1 6 . 1 1 186 186 ASN N N 186 121.756 121.756 122.714 -0.958 25776 4674 1 6 . 1 1 186 186 ASN C C 186 174.724 174.724 175.466 -0.742 25776 4675 1 6 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.926 0.667 25776 4676 1 6 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.364 0.534 25776 4677 1 6 . 1 1 186 186 ASN H H 186 8.331 8.331 8.857 -0.526 25776 4678 1 6 . 1 1 187 187 LYS N N 187 120.959 120.959 118.028 2.931 25776 4679 1 6 . 1 1 187 187 LYS C C 187 174.652 174.652 175.374 -0.722 25776 4680 1 6 . 1 1 187 187 LYS CA C 187 57.198 57.198 57.061 0.137 25776 4681 1 6 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.082 0.961 25776 4682 1 6 . 1 1 187 187 LYS H H 187 8.031 8.031 8.483 -0.452 25776 4683 1 6 . 1 1 189 189 LYS C C 189 176.088 176.088 174.992 1.096 25776 4684 1 6 . 1 1 189 189 LYS CA C 189 57.442 57.442 57.604 -0.162 25776 4685 1 6 . 1 1 190 190 VAL N N 190 121.122 121.122 117.600 3.522 25776 4686 1 6 . 1 1 190 190 VAL C C 190 175.545 175.545 175.016 0.529 25776 4687 1 6 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.489 0.632 25776 4688 1 6 . 1 1 190 190 VAL CB C 190 33.948 33.948 31.363 2.585 25776 4689 1 6 . 1 1 190 190 VAL H H 190 8.067 8.067 8.103 -0.036 25776 4690 1 6 . 1 1 191 191 ASP N N 191 124.022 124.022 125.874 -1.852 25776 4691 1 6 . 1 1 191 191 ASP C C 191 175.710 175.710 175.528 0.182 25776 4692 1 6 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.916 1.353 25776 4693 1 6 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.125 0.853 25776 4694 1 6 . 1 1 191 191 ASP H H 191 8.282 8.282 8.362 -0.080 25776 4695 1 6 . 1 1 192 192 VAL N N 192 118.928 118.928 125.699 -6.771 25776 4696 1 6 . 1 1 192 192 VAL C C 192 175.433 175.433 175.314 0.119 25776 4697 1 6 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.848 -0.028 25776 4698 1 6 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.515 1.590 25776 4699 1 6 . 1 1 192 192 VAL H H 192 7.877 7.877 8.096 -0.219 25776 4700 1 6 . 1 1 193 193 ASP N N 193 124.364 124.364 128.031 -3.667 25776 4701 1 6 . 1 1 193 193 ASP C C 193 176.118 176.118 175.409 0.709 25776 4702 1 6 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.330 0.881 25776 4703 1 6 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.034 -0.001 25776 4704 1 6 . 1 1 193 193 ASP H H 193 8.335 8.335 8.828 -0.493 25776 4705 1 6 . 1 1 198 198 VAL N N 198 126.400 126.400 117.410 8.990 25776 4706 1 6 . 1 1 198 198 VAL C C 198 174.600 174.600 174.758 -0.158 25776 4707 1 6 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.541 -1.101 25776 4708 1 6 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.998 2.102 25776 4709 1 6 . 1 1 198 198 VAL H H 198 8.474 8.474 8.431 0.043 25776 4710 1 6 . 1 1 199 199 TYR N N 199 123.900 123.900 124.192 -0.292 25776 4711 1 6 . 1 1 199 199 TYR C C 199 173.600 173.600 175.407 -1.807 25776 4712 1 6 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.373 -1.863 25776 4713 1 6 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.057 -0.427 25776 4714 1 6 . 1 1 199 199 TYR H H 199 8.748 8.748 8.492 0.256 25776 4715 1 6 . 1 1 200 200 MET N N 200 123.700 123.700 121.704 1.996 25776 4716 1 6 . 1 1 200 200 MET CA C 200 49.420 49.420 54.358 -4.938 25776 4717 1 6 . 1 1 200 200 MET H H 200 9.057 9.057 9.366 -0.309 25776 4718 1 6 . 1 1 201 201 ILE C C 201 174.016 174.016 174.269 -0.253 25776 4719 1 6 . 1 1 201 201 ILE CA C 201 60.474 60.474 58.840 1.634 25776 4720 1 6 . 1 1 201 201 ILE CB C 201 42.435 42.435 42.411 0.024 25776 4721 1 6 . 1 1 202 202 GLY N N 202 113.215 113.215 109.226 3.989 25776 4722 1 6 . 1 1 202 202 GLY C C 202 170.124 170.124 171.458 -1.334 25776 4723 1 6 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.924 2.636 25776 4724 1 6 . 1 1 202 202 GLY H H 202 8.646 8.646 8.110 0.536 25776 4725 1 6 . 1 1 203 203 PHE N N 203 116.782 116.782 117.485 -0.703 25776 4726 1 6 . 1 1 203 203 PHE C C 203 174.063 174.063 174.896 -0.833 25776 4727 1 6 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.705 -0.254 25776 4728 1 6 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.790 1.909 25776 4729 1 6 . 1 1 203 203 PHE H H 203 8.482 8.482 8.394 0.088 25776 4730 1 6 . 1 1 204 204 GLY N N 204 105.936 105.936 106.240 -0.304 25776 4731 1 6 . 1 1 204 204 GLY C C 204 171.097 171.097 171.834 -0.737 25776 4732 1 6 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.685 2.789 25776 4733 1 6 . 1 1 204 204 GLY H H 204 9.003 9.003 8.309 0.694 25776 4734 1 6 . 1 1 205 205 TYR N N 205 121.196 121.196 120.017 1.179 25776 4735 1 6 . 1 1 205 205 TYR C C 205 172.994 172.994 173.303 -0.309 25776 4736 1 6 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.184 0.503 25776 4737 1 6 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.248 1.942 25776 4738 1 6 . 1 1 205 205 TYR H H 205 9.413 9.413 9.284 0.129 25776 4739 1 6 . 1 1 206 206 LYS N N 206 126.788 126.788 123.661 3.127 25776 4740 1 6 . 1 1 206 206 LYS C C 206 174.161 174.161 174.932 -0.771 25776 4741 1 6 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.613 -0.183 25776 4742 1 6 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.392 1.033 25776 4743 1 6 . 1 1 206 206 LYS H H 206 8.364 8.364 8.249 0.115 25776 4744 1 6 . 1 1 207 207 PHE N N 207 126.168 126.168 122.775 3.393 25776 4745 1 6 . 1 1 207 207 PHE C C 207 175.094 175.094 175.522 -0.428 25776 4746 1 6 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.333 1.357 25776 4747 1 6 . 1 1 207 207 PHE CB C 207 41.663 41.663 41.436 0.227 25776 4748 1 6 . 1 1 207 207 PHE H H 207 9.308 9.308 8.107 1.201 25776 4749 1 6 . 1 1 208 208 LEU N N 208 123.199 123.199 122.717 0.482 25776 4750 1 6 . 1 1 208 208 LEU C C 208 176.580 176.580 176.529 0.051 25776 4751 1 6 . 1 1 208 208 LEU CA C 208 55.471 55.471 55.173 0.298 25776 4752 1 6 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.022 1.691 25776 4753 1 6 . 1 1 208 208 LEU H H 208 8.376 8.376 8.739 -0.363 25776 4754 1 6 . 1 1 209 209 GLU N N 209 121.960 121.960 119.406 2.554 25776 4755 1 6 . 1 1 209 209 GLU C C 209 176.226 176.226 175.706 0.520 25776 4756 1 6 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.643 2.089 25776 4757 1 6 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.539 -0.086 25776 4758 1 6 . 1 1 209 209 GLU H H 209 8.500 8.500 8.485 0.015 25776 4759 1 7 . 1 1 2 2 HIS C C 2 175.393 175.393 173.079 2.314 25776 4760 1 7 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.558 -1.754 25776 4761 1 7 . 1 1 2 2 HIS CB C 2 30.780 30.780 30.429 0.351 25776 4762 1 7 . 1 1 3 3 LYS N N 3 121.908 121.908 119.305 2.603 25776 4763 1 7 . 1 1 3 3 LYS C C 3 173.475 173.475 174.961 -1.486 25776 4764 1 7 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.377 0.650 25776 4765 1 7 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.218 -0.017 25776 4766 1 7 . 1 1 3 3 LYS H H 3 8.608 8.608 7.587 1.022 25776 4767 1 7 . 1 1 4 4 ALA N N 4 120.771 120.771 121.821 -1.050 25776 4768 1 7 . 1 1 4 4 ALA C C 4 178.118 178.118 177.852 0.266 25776 4769 1 7 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.261 1.178 25776 4770 1 7 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.072 -0.023 25776 4771 1 7 . 1 1 4 4 ALA H H 4 8.581 8.581 8.242 0.339 25776 4772 1 7 . 1 1 5 5 GLY N N 5 112.807 112.807 113.438 -0.631 25776 4773 1 7 . 1 1 5 5 GLY C C 5 173.788 173.788 173.899 -0.111 25776 4774 1 7 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.637 0.183 25776 4775 1 7 . 1 1 5 5 GLY H H 5 9.170 9.170 9.004 0.166 25776 4776 1 7 . 1 1 6 6 ASP N N 6 121.504 121.504 120.833 0.671 25776 4777 1 7 . 1 1 6 6 ASP C C 6 174.307 174.307 174.305 0.002 25776 4778 1 7 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.777 1.041 25776 4779 1 7 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.955 -0.379 25776 4780 1 7 . 1 1 6 6 ASP H H 6 7.619 7.619 7.611 0.008 25776 4781 1 7 . 1 1 7 7 PHE N N 7 121.212 121.212 123.519 -2.307 25776 4782 1 7 . 1 1 7 7 PHE C C 7 174.030 174.030 173.662 0.368 25776 4783 1 7 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.234 -0.633 25776 4784 1 7 . 1 1 7 7 PHE CB C 7 43.076 43.076 41.352 1.724 25776 4785 1 7 . 1 1 7 7 PHE H H 7 8.285 8.285 8.542 -0.257 25776 4786 1 7 . 1 1 8 8 ILE N N 8 128.185 128.185 127.149 1.036 25776 4787 1 7 . 1 1 8 8 ILE C C 8 173.961 173.961 173.930 0.031 25776 4788 1 7 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.905 1.818 25776 4789 1 7 . 1 1 8 8 ILE CB C 8 43.669 43.669 40.445 3.224 25776 4790 1 7 . 1 1 8 8 ILE H H 8 9.245 9.245 8.193 1.052 25776 4791 1 7 . 1 1 9 9 ILE N N 9 125.624 125.624 126.834 -1.210 25776 4792 1 7 . 1 1 9 9 ILE C C 9 173.731 173.731 173.788 -0.057 25776 4793 1 7 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.756 0.534 25776 4794 1 7 . 1 1 9 9 ILE CB C 9 42.091 42.091 40.916 1.175 25776 4795 1 7 . 1 1 9 9 ILE H H 9 8.628 8.628 8.148 0.480 25776 4796 1 7 . 1 1 10 10 ARG N N 10 125.025 125.025 127.365 -2.340 25776 4797 1 7 . 1 1 10 10 ARG C C 10 175.074 175.074 174.744 0.330 25776 4798 1 7 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.792 0.702 25776 4799 1 7 . 1 1 10 10 ARG CB C 10 32.772 32.772 35.020 -2.248 25776 4800 1 7 . 1 1 10 10 ARG H H 10 9.225 9.225 8.743 0.482 25776 4801 1 7 . 1 1 11 11 GLY N N 11 106.141 106.141 109.751 -3.610 25776 4802 1 7 . 1 1 11 11 GLY C C 11 171.959 171.959 172.375 -0.416 25776 4803 1 7 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.749 -0.542 25776 4804 1 7 . 1 1 11 11 GLY H H 11 8.885 8.885 8.859 0.026 25776 4805 1 7 . 1 1 12 12 GLY N N 12 107.818 107.818 108.274 -0.456 25776 4806 1 7 . 1 1 12 12 GLY C C 12 171.465 171.465 171.794 -0.329 25776 4807 1 7 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.480 2.833 25776 4808 1 7 . 1 1 12 12 GLY H H 12 8.433 8.433 8.033 0.400 25776 4809 1 7 . 1 1 13 13 PHE N N 13 120.233 120.233 115.569 4.664 25776 4810 1 7 . 1 1 13 13 PHE C C 13 174.056 174.056 173.901 0.155 25776 4811 1 7 . 1 1 13 13 PHE CA C 13 57.151 57.151 55.787 1.364 25776 4812 1 7 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.917 1.708 25776 4813 1 7 . 1 1 13 13 PHE H H 13 8.606 8.606 7.880 0.726 25776 4814 1 7 . 1 1 18 18 PRO C C 18 176.552 176.552 176.132 0.420 25776 4815 1 7 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.498 0.593 25776 4816 1 7 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.979 0.670 25776 4817 1 7 . 1 1 19 19 ASP N N 19 121.094 121.094 118.698 2.396 25776 4818 1 7 . 1 1 19 19 ASP C C 19 176.047 176.047 175.175 0.872 25776 4819 1 7 . 1 1 19 19 ASP CA C 19 55.274 55.274 53.596 1.678 25776 4820 1 7 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.458 1.585 25776 4821 1 7 . 1 1 19 19 ASP H H 19 8.372 8.372 8.183 0.189 25776 4822 1 7 . 1 1 20 20 ASP N N 20 123.179 123.179 121.257 1.922 25776 4823 1 7 . 1 1 20 20 ASP C C 20 176.790 176.790 177.341 -0.551 25776 4824 1 7 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.730 0.365 25776 4825 1 7 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.680 1.154 25776 4826 1 7 . 1 1 20 20 ASP H H 20 8.357 8.357 8.157 0.200 25776 4827 1 7 . 1 1 21 21 SER N N 21 117.319 117.319 114.202 3.117 25776 4828 1 7 . 1 1 21 21 SER C C 21 175.218 175.218 174.202 1.016 25776 4829 1 7 . 1 1 21 21 SER CA C 21 60.134 60.134 58.617 1.516 25776 4830 1 7 . 1 1 21 21 SER CB C 21 64.701 64.701 62.601 2.100 25776 4831 1 7 . 1 1 21 21 SER H H 21 8.398 8.398 8.187 0.211 25776 4832 1 7 . 1 1 22 22 SER N N 22 117.994 117.994 115.603 2.391 25776 4833 1 7 . 1 1 22 22 SER C C 22 174.877 174.877 174.973 -0.096 25776 4834 1 7 . 1 1 22 22 SER CA C 22 59.839 59.839 58.093 1.746 25776 4835 1 7 . 1 1 22 22 SER CB C 22 64.669 64.669 63.829 0.840 25776 4836 1 7 . 1 1 22 22 SER H H 22 8.314 8.314 7.956 0.358 25776 4837 1 7 . 1 1 23 23 SER N N 23 117.809 117.809 116.130 1.679 25776 4838 1 7 . 1 1 23 23 SER C C 23 174.298 174.298 173.580 0.718 25776 4839 1 7 . 1 1 23 23 SER CA C 23 59.629 59.629 58.906 0.723 25776 4840 1 7 . 1 1 23 23 SER CB C 23 64.802 64.802 63.634 1.168 25776 4841 1 7 . 1 1 23 23 SER H H 23 8.143 8.143 8.336 -0.193 25776 4842 1 7 . 1 1 24 24 ASP N N 24 122.829 122.829 123.235 -0.406 25776 4843 1 7 . 1 1 24 24 ASP C C 24 176.250 176.250 175.300 0.950 25776 4844 1 7 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.198 1.295 25776 4845 1 7 . 1 1 24 24 ASP CB C 24 41.841 41.841 40.338 1.503 25776 4846 1 7 . 1 1 24 24 ASP H H 24 8.234 8.234 8.592 -0.358 25776 4847 1 7 . 1 1 25 25 ILE N N 25 120.717 120.717 118.236 2.481 25776 4848 1 7 . 1 1 25 25 ILE C C 25 176.204 176.204 175.450 0.754 25776 4849 1 7 . 1 1 25 25 ILE CA C 25 62.556 62.556 60.373 2.183 25776 4850 1 7 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.142 1.526 25776 4851 1 7 . 1 1 25 25 ILE H H 25 7.884 7.884 7.994 -0.110 25776 4852 1 7 . 1 1 26 26 LYS N N 26 124.527 124.527 122.813 1.714 25776 4853 1 7 . 1 1 26 26 LYS C C 26 176.616 176.616 175.893 0.723 25776 4854 1 7 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.992 1.200 25776 4855 1 7 . 1 1 26 26 LYS CB C 26 33.809 33.809 32.114 1.695 25776 4856 1 7 . 1 1 26 26 LYS H H 26 8.164 8.164 7.936 0.228 25776 4857 1 7 . 1 1 27 27 LEU N N 27 123.292 123.292 121.984 1.308 25776 4858 1 7 . 1 1 27 27 LEU C C 27 177.077 177.077 176.560 0.517 25776 4859 1 7 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.734 0.439 25776 4860 1 7 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.111 1.206 25776 4861 1 7 . 1 1 27 27 LEU H H 27 8.100 8.100 8.288 -0.188 25776 4862 1 7 . 1 1 28 28 ASP N N 28 121.059 121.059 119.006 2.053 25776 4863 1 7 . 1 1 28 28 ASP C C 28 176.929 176.929 176.066 0.863 25776 4864 1 7 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.544 1.804 25776 4865 1 7 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.371 0.704 25776 4866 1 7 . 1 1 28 28 ASP H H 28 8.209 8.209 7.739 0.470 25776 4867 1 7 . 1 1 29 29 GLY N N 29 110.032 110.032 108.277 1.755 25776 4868 1 7 . 1 1 29 29 GLY C C 29 174.364 174.364 173.547 0.817 25776 4869 1 7 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.896 1.982 25776 4870 1 7 . 1 1 29 29 GLY H H 29 8.274 8.274 8.323 -0.049 25776 4871 1 7 . 1 1 30 30 ALA N N 30 124.102 124.102 126.457 -2.355 25776 4872 1 7 . 1 1 30 30 ALA C C 30 178.005 178.005 177.182 0.823 25776 4873 1 7 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.835 1.989 25776 4874 1 7 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.589 -0.462 25776 4875 1 7 . 1 1 30 30 ALA H H 30 8.085 8.085 8.077 0.008 25776 4876 1 7 . 1 1 31 31 LYS N N 31 119.810 119.810 123.846 -4.036 25776 4877 1 7 . 1 1 31 31 LYS C C 31 176.650 176.650 177.140 -0.490 25776 4878 1 7 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.389 1.083 25776 4879 1 7 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.024 0.924 25776 4880 1 7 . 1 1 31 31 LYS H H 31 8.075 8.075 8.585 -0.510 25776 4881 1 7 . 1 1 32 32 GLN N N 32 121.045 121.045 121.440 -0.395 25776 4882 1 7 . 1 1 32 32 GLN C C 32 175.862 175.862 178.047 -2.185 25776 4883 1 7 . 1 1 32 32 GLN CA C 32 56.939 56.939 57.700 -0.761 25776 4884 1 7 . 1 1 32 32 GLN CB C 32 30.194 30.194 28.933 1.261 25776 4885 1 7 . 1 1 32 32 GLN H H 32 8.182 8.182 8.675 -0.493 25776 4886 1 7 . 1 1 33 33 ARG N N 33 122.683 122.683 119.609 3.074 25776 4887 1 7 . 1 1 33 33 ARG C C 33 176.492 176.492 177.250 -0.758 25776 4888 1 7 . 1 1 33 33 ARG CA C 33 57.082 57.082 57.519 -0.437 25776 4889 1 7 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.545 1.407 25776 4890 1 7 . 1 1 33 33 ARG H H 33 8.288 8.288 8.327 -0.039 25776 4891 1 7 . 1 1 36 36 LYS C C 36 176.028 176.028 174.801 1.227 25776 4892 1 7 . 1 1 36 36 LYS CA C 36 57.223 57.223 57.118 0.105 25776 4893 1 7 . 1 1 36 36 LYS CB C 36 34.262 34.262 31.679 2.583 25776 4894 1 7 . 1 1 37 37 ALA N N 37 125.793 125.793 121.057 4.736 25776 4895 1 7 . 1 1 37 37 ALA C C 37 177.567 177.567 177.463 0.104 25776 4896 1 7 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.982 1.586 25776 4897 1 7 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.692 0.716 25776 4898 1 7 . 1 1 37 37 ALA H H 37 8.329 8.329 7.974 0.355 25776 4899 1 7 . 1 1 38 38 THR N N 38 113.398 113.398 119.278 -5.880 25776 4900 1 7 . 1 1 38 38 THR C C 38 174.556 174.556 174.694 -0.138 25776 4901 1 7 . 1 1 38 38 THR CA C 38 62.551 62.551 62.702 -0.151 25776 4902 1 7 . 1 1 38 38 THR CB C 38 71.054 71.054 69.173 1.881 25776 4903 1 7 . 1 1 38 38 THR H H 38 8.007 8.007 8.639 -0.632 25776 4904 1 7 . 1 1 39 39 VAL N N 39 120.865 120.865 119.902 0.963 25776 4905 1 7 . 1 1 39 39 VAL C C 39 175.523 175.523 174.397 1.126 25776 4906 1 7 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.836 0.264 25776 4907 1 7 . 1 1 39 39 VAL CB C 39 34.044 34.044 31.144 2.900 25776 4908 1 7 . 1 1 39 39 VAL H H 39 8.043 8.043 7.820 0.223 25776 4909 1 7 . 1 1 40 40 ASP N N 40 124.053 124.053 119.840 4.213 25776 4910 1 7 . 1 1 40 40 ASP C C 40 176.132 176.132 176.428 -0.296 25776 4911 1 7 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.316 0.964 25776 4912 1 7 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.187 1.032 25776 4913 1 7 . 1 1 40 40 ASP H H 40 8.333 8.333 8.189 0.144 25776 4914 1 7 . 1 1 41 41 SER N N 41 115.655 115.655 116.420 -0.765 25776 4915 1 7 . 1 1 41 41 SER C C 41 174.147 174.147 173.811 0.336 25776 4916 1 7 . 1 1 41 41 SER CA C 41 59.367 59.367 57.728 1.639 25776 4917 1 7 . 1 1 41 41 SER CB C 41 65.027 65.027 63.646 1.381 25776 4918 1 7 . 1 1 41 41 SER H H 41 8.142 8.142 7.974 0.168 25776 4919 1 7 . 1 1 42 42 ASP N N 42 123.005 123.005 127.210 -4.205 25776 4920 1 7 . 1 1 42 42 ASP C C 42 176.578 176.578 175.766 0.812 25776 4921 1 7 . 1 1 42 42 ASP CA C 42 55.439 55.439 55.294 0.145 25776 4922 1 7 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.079 1.325 25776 4923 1 7 . 1 1 42 42 ASP H H 42 8.433 8.433 8.581 -0.148 25776 4924 1 7 . 1 1 43 43 THR C C 43 176.244 176.244 174.231 2.013 25776 4925 1 7 . 1 1 43 43 THR CA C 43 62.772 62.772 61.502 1.270 25776 4926 1 7 . 1 1 43 43 THR CB C 43 71.018 71.018 69.237 1.781 25776 4927 1 7 . 1 1 44 44 GLN N N 44 123.824 123.824 120.467 3.357 25776 4928 1 7 . 1 1 44 44 GLN C C 44 177.061 177.061 175.451 1.610 25776 4929 1 7 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.066 2.213 25776 4930 1 7 . 1 1 44 44 GLN CB C 44 33.662 33.662 31.029 2.633 25776 4931 1 7 . 1 1 44 44 GLN H H 44 8.270 8.270 7.850 0.420 25776 4932 1 7 . 1 1 45 45 LEU N N 45 122.159 122.159 121.109 1.050 25776 4933 1 7 . 1 1 45 45 LEU C C 45 176.419 176.419 176.318 0.101 25776 4934 1 7 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.703 2.415 25776 4935 1 7 . 1 1 45 45 LEU CB C 45 42.621 42.621 44.171 -1.550 25776 4936 1 7 . 1 1 45 45 LEU H H 45 7.940 7.940 8.446 -0.506 25776 4937 1 7 . 1 1 46 46 GLY N N 46 107.861 107.861 106.766 1.095 25776 4938 1 7 . 1 1 46 46 GLY C C 46 171.538 171.538 171.874 -0.336 25776 4939 1 7 . 1 1 46 46 GLY CA C 46 44.775 44.775 45.880 -1.105 25776 4940 1 7 . 1 1 46 46 GLY H H 46 8.566 8.566 7.942 0.624 25776 4941 1 7 . 1 1 47 47 LEU N N 47 122.959 122.959 121.872 1.087 25776 4942 1 7 . 1 1 47 47 LEU C C 47 175.422 175.422 175.264 0.158 25776 4943 1 7 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.419 -0.088 25776 4944 1 7 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.896 1.447 25776 4945 1 7 . 1 1 47 47 LEU H H 47 8.457 8.457 8.065 0.392 25776 4946 1 7 . 1 1 48 48 THR N N 48 112.144 112.144 113.071 -0.927 25776 4947 1 7 . 1 1 48 48 THR C C 48 172.347 172.347 172.993 -0.646 25776 4948 1 7 . 1 1 48 48 THR CA C 48 59.573 59.573 59.617 -0.044 25776 4949 1 7 . 1 1 48 48 THR CB C 48 72.843 72.843 72.217 0.626 25776 4950 1 7 . 1 1 48 48 THR H H 48 8.814 8.814 8.806 0.008 25776 4951 1 7 . 1 1 49 49 PHE N N 49 118.787 118.787 119.624 -0.837 25776 4952 1 7 . 1 1 49 49 PHE C C 49 174.623 174.623 175.939 -1.316 25776 4953 1 7 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.272 -0.535 25776 4954 1 7 . 1 1 49 49 PHE CB C 49 42.986 42.986 41.211 1.775 25776 4955 1 7 . 1 1 49 49 PHE H H 49 8.455 8.455 8.426 0.029 25776 4956 1 7 . 1 1 50 50 THR N N 50 121.279 121.279 120.170 1.109 25776 4957 1 7 . 1 1 50 50 THR C C 50 173.272 173.272 173.512 -0.240 25776 4958 1 7 . 1 1 50 50 THR CA C 50 63.315 63.315 61.037 2.278 25776 4959 1 7 . 1 1 50 50 THR CB C 50 74.327 74.327 70.181 4.146 25776 4960 1 7 . 1 1 50 50 THR H H 50 9.372 9.372 9.016 0.356 25776 4961 1 7 . 1 1 51 51 TYR N N 51 126.005 126.005 126.611 -0.606 25776 4962 1 7 . 1 1 51 51 TYR C C 51 174.837 174.837 175.359 -0.522 25776 4963 1 7 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.770 0.090 25776 4964 1 7 . 1 1 51 51 TYR CB C 51 42.447 42.447 40.128 2.319 25776 4965 1 7 . 1 1 51 51 TYR H H 51 9.157 9.157 8.263 0.894 25776 4966 1 7 . 1 1 52 52 MET N N 52 127.601 127.601 126.468 1.133 25776 4967 1 7 . 1 1 52 52 MET C C 52 174.466 174.466 174.831 -0.365 25776 4968 1 7 . 1 1 52 52 MET CA C 52 53.171 53.171 55.254 -2.083 25776 4969 1 7 . 1 1 52 52 MET CB C 52 29.467 29.467 32.556 -3.089 25776 4970 1 7 . 1 1 52 52 MET H H 52 7.998 7.998 8.176 -0.178 25776 4971 1 7 . 1 1 53 53 PHE N N 53 123.918 123.918 126.901 -2.983 25776 4972 1 7 . 1 1 53 53 PHE C C 53 173.685 173.685 175.393 -1.708 25776 4973 1 7 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.401 1.213 25776 4974 1 7 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.706 -2.595 25776 4975 1 7 . 1 1 53 53 PHE H H 53 7.762 7.762 8.507 -0.745 25776 4976 1 7 . 1 1 54 54 ALA N N 54 125.892 125.892 123.007 2.885 25776 4977 1 7 . 1 1 54 54 ALA C C 54 174.976 174.976 178.048 -3.072 25776 4978 1 7 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.526 -2.083 25776 4979 1 7 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.390 4.144 25776 4980 1 7 . 1 1 54 54 ALA H H 54 8.396 8.396 8.537 -0.141 25776 4981 1 7 . 1 1 55 55 ASP N N 55 118.951 118.951 120.463 -1.512 25776 4982 1 7 . 1 1 55 55 ASP C C 55 174.777 174.777 176.066 -1.289 25776 4983 1 7 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.278 1.861 25776 4984 1 7 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.564 0.384 25776 4985 1 7 . 1 1 55 55 ASP H H 55 8.632 8.632 9.089 -0.457 25776 4986 1 7 . 1 1 56 56 LYS N N 56 106.363 106.363 114.049 -7.686 25776 4987 1 7 . 1 1 56 56 LYS C C 56 174.930 174.930 175.393 -0.463 25776 4988 1 7 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.533 -0.663 25776 4989 1 7 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.422 4.015 25776 4990 1 7 . 1 1 56 56 LYS H H 56 7.300 7.300 8.553 -1.253 25776 4991 1 7 . 1 1 57 57 TRP N N 57 115.784 115.784 122.483 -6.699 25776 4992 1 7 . 1 1 57 57 TRP C C 57 173.960 173.960 176.594 -2.634 25776 4993 1 7 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.729 -1.772 25776 4994 1 7 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.736 2.440 25776 4995 1 7 . 1 1 57 57 TRP H H 57 6.612 6.612 8.131 -1.519 25776 4996 1 7 . 1 1 58 58 GLY N N 58 107.657 107.657 107.428 0.229 25776 4997 1 7 . 1 1 58 58 GLY C C 58 172.720 172.720 172.181 0.539 25776 4998 1 7 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.743 0.041 25776 4999 1 7 . 1 1 58 58 GLY H H 58 9.271 9.271 8.292 0.979 25776 5000 1 7 . 1 1 59 59 VAL N N 59 118.434 118.434 125.705 -7.271 25776 5001 1 7 . 1 1 59 59 VAL C C 59 172.973 172.973 175.014 -2.041 25776 5002 1 7 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.497 -0.859 25776 5003 1 7 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.875 3.161 25776 5004 1 7 . 1 1 59 59 VAL H H 59 9.080 9.080 8.207 0.873 25776 5005 1 7 . 1 1 60 60 GLU N N 60 127.915 127.915 129.279 -1.364 25776 5006 1 7 . 1 1 60 60 GLU C C 60 174.464 174.464 174.489 -0.025 25776 5007 1 7 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.278 -0.527 25776 5008 1 7 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.262 2.780 25776 5009 1 7 . 1 1 60 60 GLU H H 60 9.431 9.431 9.124 0.307 25776 5010 1 7 . 1 1 61 61 LEU N N 61 127.764 127.764 127.021 0.743 25776 5011 1 7 . 1 1 61 61 LEU C C 61 174.746 174.746 174.982 -0.236 25776 5012 1 7 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.352 0.639 25776 5013 1 7 . 1 1 61 61 LEU CB C 61 46.880 46.880 46.136 0.744 25776 5014 1 7 . 1 1 61 61 LEU H H 61 8.730 8.730 8.185 0.545 25776 5015 1 7 . 1 1 62 62 VAL N N 62 126.465 126.465 123.012 3.453 25776 5016 1 7 . 1 1 62 62 VAL C C 62 174.453 174.453 174.803 -0.350 25776 5017 1 7 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.627 0.658 25776 5018 1 7 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.566 2.520 25776 5019 1 7 . 1 1 62 62 VAL H H 62 9.068 9.068 9.028 0.040 25776 5020 1 7 . 1 1 63 63 ALA N N 63 130.444 130.444 128.805 1.639 25776 5021 1 7 . 1 1 63 63 ALA C C 63 174.030 174.030 175.532 -1.502 25776 5022 1 7 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.850 -0.600 25776 5023 1 7 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.626 0.877 25776 5024 1 7 . 1 1 63 63 ALA H H 63 9.124 9.124 8.354 0.770 25776 5025 1 7 . 1 1 64 64 ALA N N 64 121.285 121.285 126.677 -5.392 25776 5026 1 7 . 1 1 64 64 ALA C C 64 176.843 176.843 177.238 -0.395 25776 5027 1 7 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.850 0.320 25776 5028 1 7 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.787 3.385 25776 5029 1 7 . 1 1 64 64 ALA H H 64 7.995 7.995 8.757 -0.762 25776 5030 1 7 . 1 1 65 65 THR N N 65 109.734 109.734 112.658 -2.924 25776 5031 1 7 . 1 1 65 65 THR C C 65 176.739 176.739 173.962 2.777 25776 5032 1 7 . 1 1 65 65 THR CA C 65 61.660 61.660 60.399 1.261 25776 5033 1 7 . 1 1 65 65 THR CB C 65 68.341 68.341 68.942 -0.601 25776 5034 1 7 . 1 1 65 65 THR H H 65 8.108 8.108 8.212 -0.104 25776 5035 1 7 . 1 1 67 67 PHE N N 67 123.676 123.676 115.821 7.855 25776 5036 1 7 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.110 -0.261 25776 5037 1 7 . 1 1 67 67 PHE H H 67 8.382 8.382 7.796 0.586 25776 5038 1 7 . 1 1 74 74 LYS C C 74 177.704 177.704 175.794 1.910 25776 5039 1 7 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.592 0.436 25776 5040 1 7 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.018 2.044 25776 5041 1 7 . 1 1 75 75 GLY N N 75 108.841 108.841 106.936 1.905 25776 5042 1 7 . 1 1 75 75 GLY C C 75 174.405 174.405 173.326 1.079 25776 5043 1 7 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.586 2.126 25776 5044 1 7 . 1 1 75 75 GLY H H 75 8.069 8.069 7.737 0.332 25776 5045 1 7 . 1 1 76 76 LEU N N 76 120.093 120.093 120.175 -0.082 25776 5046 1 7 . 1 1 76 76 LEU C C 76 176.997 176.997 176.068 0.929 25776 5047 1 7 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.052 1.128 25776 5048 1 7 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.370 3.627 25776 5049 1 7 . 1 1 76 76 LEU H H 76 7.623 7.623 8.592 -0.969 25776 5050 1 7 . 1 1 79 79 GLY C C 79 175.675 175.675 173.229 2.446 25776 5051 1 7 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.148 1.951 25776 5052 1 7 . 1 1 80 80 LEU N N 80 130.062 130.062 123.965 6.097 25776 5053 1 7 . 1 1 80 80 LEU C C 80 176.062 176.062 175.423 0.639 25776 5054 1 7 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.650 0.754 25776 5055 1 7 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.851 -0.845 25776 5056 1 7 . 1 1 80 80 LEU H H 80 9.441 9.441 7.999 1.442 25776 5057 1 7 . 1 1 81 81 ASP N N 81 124.816 124.816 125.616 -0.800 25776 5058 1 7 . 1 1 81 81 ASP C C 81 178.992 178.992 175.744 3.248 25776 5059 1 7 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.997 1.772 25776 5060 1 7 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.556 0.391 25776 5061 1 7 . 1 1 81 81 ASP H H 81 7.854 7.854 8.654 -0.800 25776 5062 1 7 . 1 1 91 91 PRO C C 91 175.297 175.297 175.365 -0.068 25776 5063 1 7 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.792 -0.959 25776 5064 1 7 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.669 0.862 25776 5065 1 7 . 1 1 92 92 ALA N N 92 123.521 123.521 125.529 -2.008 25776 5066 1 7 . 1 1 92 92 ALA C C 92 175.643 175.643 176.113 -0.470 25776 5067 1 7 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.005 1.670 25776 5068 1 7 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.965 -0.240 25776 5069 1 7 . 1 1 92 92 ALA H H 92 8.829 8.829 8.082 0.747 25776 5070 1 7 . 1 1 93 93 THR N N 93 117.599 117.599 118.872 -1.273 25776 5071 1 7 . 1 1 93 93 THR C C 93 171.440 171.440 173.202 -1.762 25776 5072 1 7 . 1 1 93 93 THR CA C 93 62.066 62.066 61.641 0.425 25776 5073 1 7 . 1 1 93 93 THR CB C 93 72.352 72.352 70.896 1.456 25776 5074 1 7 . 1 1 93 93 THR H H 93 8.237 8.237 8.155 0.082 25776 5075 1 7 . 1 1 94 94 LEU N N 94 129.530 129.530 128.128 1.402 25776 5076 1 7 . 1 1 94 94 LEU C C 94 174.995 174.995 175.000 -0.005 25776 5077 1 7 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.371 -0.177 25776 5078 1 7 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.919 2.246 25776 5079 1 7 . 1 1 94 94 LEU H H 94 8.732 8.732 8.313 0.419 25776 5080 1 7 . 1 1 95 95 LEU N N 95 124.181 124.181 118.145 6.036 25776 5081 1 7 . 1 1 95 95 LEU C C 95 175.270 175.270 174.236 1.034 25776 5082 1 7 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.179 1.354 25776 5083 1 7 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.524 1.148 25776 5084 1 7 . 1 1 95 95 LEU H H 95 9.485 9.485 8.894 0.591 25776 5085 1 7 . 1 1 96 96 LEU N N 96 123.444 123.444 123.263 0.181 25776 5086 1 7 . 1 1 96 96 LEU C C 96 174.997 174.997 175.453 -0.456 25776 5087 1 7 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.487 1.825 25776 5088 1 7 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.415 0.733 25776 5089 1 7 . 1 1 96 96 LEU H H 96 8.836 8.836 8.919 -0.083 25776 5090 1 7 . 1 1 97 97 GLN N N 97 121.545 121.545 124.692 -3.147 25776 5091 1 7 . 1 1 97 97 GLN C C 97 174.324 174.324 173.839 0.485 25776 5092 1 7 . 1 1 97 97 GLN CA C 97 55.388 55.388 52.983 2.405 25776 5093 1 7 . 1 1 97 97 GLN CB C 97 37.524 37.524 32.195 5.329 25776 5094 1 7 . 1 1 97 97 GLN H H 97 9.566 9.566 9.111 0.455 25776 5095 1 7 . 1 1 98 98 TYR N N 98 122.246 122.246 115.446 6.800 25776 5096 1 7 . 1 1 98 98 TYR C C 98 173.409 173.409 174.565 -1.156 25776 5097 1 7 . 1 1 98 98 TYR CA C 98 55.655 55.655 54.536 1.119 25776 5098 1 7 . 1 1 98 98 TYR CB C 98 43.208 43.208 40.776 2.432 25776 5099 1 7 . 1 1 98 98 TYR H H 98 9.053 9.053 8.705 0.348 25776 5100 1 7 . 1 1 99 99 TYR N N 99 126.872 126.872 122.233 4.639 25776 5101 1 7 . 1 1 99 99 TYR C C 99 175.310 175.310 175.868 -0.558 25776 5102 1 7 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.671 -0.915 25776 5103 1 7 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.155 1.480 25776 5104 1 7 . 1 1 99 99 TYR H H 99 8.344 8.344 9.684 -1.340 25776 5105 1 7 . 1 1 100 100 PRO C C 100 178.304 178.304 177.052 1.252 25776 5106 1 7 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.761 0.649 25776 5107 1 7 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.516 0.591 25776 5108 1 7 . 1 1 101 101 MET N N 101 114.703 114.703 117.067 -2.364 25776 5109 1 7 . 1 1 101 101 MET C C 101 178.218 178.218 175.401 2.817 25776 5110 1 7 . 1 1 101 101 MET CA C 101 54.147 54.147 54.266 -0.119 25776 5111 1 7 . 1 1 101 101 MET CB C 101 30.956 30.956 32.867 -1.911 25776 5112 1 7 . 1 1 101 101 MET H H 101 9.432 9.432 8.066 1.366 25776 5113 1 7 . 1 1 102 102 GLY N N 102 117.671 117.671 108.364 9.307 25776 5114 1 7 . 1 1 102 102 GLY C C 102 175.611 175.611 173.927 1.684 25776 5115 1 7 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.153 2.300 25776 5116 1 7 . 1 1 102 102 GLY H H 102 8.671 8.671 7.688 0.983 25776 5117 1 7 . 1 1 103 103 GLY N N 103 111.298 111.298 111.761 -0.463 25776 5118 1 7 . 1 1 103 103 GLY C C 103 174.054 174.054 173.611 0.443 25776 5119 1 7 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.344 1.476 25776 5120 1 7 . 1 1 103 103 GLY H H 103 9.436 9.436 8.339 1.097 25776 5121 1 7 . 1 1 104 104 THR N N 104 109.330 109.330 112.734 -3.404 25776 5122 1 7 . 1 1 104 104 THR C C 104 174.248 174.248 173.899 0.349 25776 5123 1 7 . 1 1 104 104 THR CA C 104 61.454 61.454 60.606 0.848 25776 5124 1 7 . 1 1 104 104 THR CB C 104 72.711 72.711 69.664 3.047 25776 5125 1 7 . 1 1 104 104 THR H H 104 7.321 7.321 7.544 -0.223 25776 5126 1 7 . 1 1 105 105 ASN C C 105 175.032 175.032 175.328 -0.296 25776 5127 1 7 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.308 0.105 25776 5128 1 7 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.624 0.219 25776 5129 1 7 . 1 1 106 106 SER N N 106 113.116 113.116 115.978 -2.862 25776 5130 1 7 . 1 1 106 106 SER C C 106 175.961 175.961 174.153 1.808 25776 5131 1 7 . 1 1 106 106 SER CA C 106 59.289 59.289 58.673 0.616 25776 5132 1 7 . 1 1 106 106 SER CB C 106 65.208 65.208 64.237 0.970 25776 5133 1 7 . 1 1 106 106 SER H H 106 7.487 7.487 7.423 0.064 25776 5134 1 7 . 1 1 107 107 ALA N N 107 132.317 132.317 123.612 8.705 25776 5135 1 7 . 1 1 107 107 ALA C C 107 176.554 176.554 176.463 0.091 25776 5136 1 7 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.859 2.140 25776 5137 1 7 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.794 0.736 25776 5138 1 7 . 1 1 107 107 ALA H H 107 8.891 8.891 7.994 0.897 25776 5139 1 7 . 1 1 108 108 PHE N N 108 116.265 116.265 118.747 -2.482 25776 5140 1 7 . 1 1 108 108 PHE C C 108 174.254 174.254 175.903 -1.649 25776 5141 1 7 . 1 1 108 108 PHE CA C 108 56.664 56.664 55.986 0.678 25776 5142 1 7 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.846 1.389 25776 5143 1 7 . 1 1 108 108 PHE H H 108 7.592 7.592 7.382 0.210 25776 5144 1 7 . 1 1 109 109 GLN N N 109 128.401 128.401 121.100 7.301 25776 5145 1 7 . 1 1 109 109 GLN C C 109 172.298 172.298 174.158 -1.860 25776 5146 1 7 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.735 0.202 25776 5147 1 7 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.141 0.839 25776 5148 1 7 . 1 1 109 109 GLN H H 109 9.095 9.095 8.592 0.503 25776 5149 1 7 . 1 1 110 110 PRO C C 110 175.005 175.005 175.701 -0.696 25776 5150 1 7 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.366 -0.142 25776 5151 1 7 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.265 1.864 25776 5152 1 7 . 1 1 111 111 TYR N N 111 115.731 115.731 117.005 -1.274 25776 5153 1 7 . 1 1 111 111 TYR C C 111 173.783 173.783 173.457 0.326 25776 5154 1 7 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.376 1.696 25776 5155 1 7 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.809 -1.374 25776 5156 1 7 . 1 1 111 111 TYR H H 111 8.510 8.510 8.526 -0.016 25776 5157 1 7 . 1 1 112 112 GLY N N 112 103.737 103.737 105.705 -1.968 25776 5158 1 7 . 1 1 112 112 GLY C C 112 172.014 172.014 171.804 0.210 25776 5159 1 7 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.145 0.499 25776 5160 1 7 . 1 1 112 112 GLY H H 112 8.149 8.149 7.981 0.168 25776 5161 1 7 . 1 1 113 113 GLY N N 113 108.372 108.372 107.117 1.255 25776 5162 1 7 . 1 1 113 113 GLY C C 113 171.486 171.486 172.204 -0.718 25776 5163 1 7 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.926 0.914 25776 5164 1 7 . 1 1 113 113 GLY H H 113 9.028 9.028 8.562 0.466 25776 5165 1 7 . 1 1 114 114 LEU N N 114 120.469 120.469 115.668 4.801 25776 5166 1 7 . 1 1 114 114 LEU C C 114 175.878 175.878 175.019 0.859 25776 5167 1 7 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.835 1.776 25776 5168 1 7 . 1 1 114 114 LEU CB C 114 48.977 48.977 44.642 4.335 25776 5169 1 7 . 1 1 114 114 LEU H H 114 8.741 8.741 7.888 0.853 25776 5170 1 7 . 1 1 115 115 GLY N N 115 111.145 111.145 104.803 6.342 25776 5171 1 7 . 1 1 115 115 GLY C C 115 171.336 171.336 172.039 -0.703 25776 5172 1 7 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.855 2.000 25776 5173 1 7 . 1 1 115 115 GLY H H 115 8.952 8.952 8.489 0.463 25776 5174 1 7 . 1 1 116 116 VAL N N 116 118.641 118.641 114.587 4.054 25776 5175 1 7 . 1 1 116 116 VAL C C 116 172.617 172.617 173.920 -1.303 25776 5176 1 7 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.475 1.241 25776 5177 1 7 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.142 2.230 25776 5178 1 7 . 1 1 116 116 VAL H H 116 8.844 8.844 8.870 -0.026 25776 5179 1 7 . 1 1 117 117 ASN N N 117 123.839 123.839 120.148 3.691 25776 5180 1 7 . 1 1 117 117 ASN C C 117 171.105 171.105 173.015 -1.910 25776 5181 1 7 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.725 0.217 25776 5182 1 7 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.388 2.191 25776 5183 1 7 . 1 1 117 117 ASN H H 117 9.647 9.647 8.244 1.403 25776 5184 1 7 . 1 1 118 118 TYR N N 118 125.160 125.160 127.355 -2.195 25776 5185 1 7 . 1 1 118 118 TYR C C 118 174.349 174.349 173.223 1.126 25776 5186 1 7 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.735 -1.178 25776 5187 1 7 . 1 1 118 118 TYR CB C 118 42.564 42.564 40.711 1.853 25776 5188 1 7 . 1 1 118 118 TYR H H 118 8.989 8.989 8.042 0.947 25776 5189 1 7 . 1 1 119 119 THR N N 119 124.319 124.319 121.525 2.794 25776 5190 1 7 . 1 1 119 119 THR C C 119 171.231 171.231 173.538 -2.307 25776 5191 1 7 . 1 1 119 119 THR CA C 119 62.951 62.951 59.961 2.990 25776 5192 1 7 . 1 1 119 119 THR CB C 119 72.427 72.427 70.290 2.137 25776 5193 1 7 . 1 1 119 119 THR H H 119 8.806 8.806 8.032 0.774 25776 5194 1 7 . 1 1 120 120 THR N N 120 119.978 119.978 122.515 -2.537 25776 5195 1 7 . 1 1 120 120 THR C C 120 171.174 171.174 173.534 -2.360 25776 5196 1 7 . 1 1 120 120 THR CA C 120 59.197 59.197 61.354 -2.157 25776 5197 1 7 . 1 1 120 120 THR CB C 120 72.088 72.088 69.325 2.764 25776 5198 1 7 . 1 1 120 120 THR H H 120 7.559 7.559 8.268 -0.709 25776 5199 1 7 . 1 1 121 121 PHE C C 121 175.289 175.289 174.160 1.129 25776 5200 1 7 . 1 1 121 121 PHE CB C 121 44.369 44.369 42.399 1.970 25776 5201 1 7 . 1 1 122 122 PHE N N 122 117.578 117.578 122.906 -5.328 25776 5202 1 7 . 1 1 122 122 PHE C C 122 172.555 172.555 176.258 -3.703 25776 5203 1 7 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.356 -0.472 25776 5204 1 7 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.846 0.385 25776 5205 1 7 . 1 1 122 122 PHE H H 122 8.541 8.541 8.427 0.114 25776 5206 1 7 . 1 1 123 123 ASP N N 123 116.448 116.448 123.599 -7.151 25776 5207 1 7 . 1 1 123 123 ASP C C 123 175.240 175.240 176.305 -1.065 25776 5208 1 7 . 1 1 123 123 ASP CA C 123 55.834 55.834 56.113 -0.279 25776 5209 1 7 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.309 -1.465 25776 5210 1 7 . 1 1 123 123 ASP H H 123 8.940 8.940 8.526 0.414 25776 5211 1 7 . 1 1 124 124 GLU C C 124 177.545 177.545 175.542 2.003 25776 5212 1 7 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.346 3.544 25776 5213 1 7 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.798 -1.340 25776 5214 1 7 . 1 1 125 125 ASP N N 125 126.424 126.424 123.695 2.729 25776 5215 1 7 . 1 1 125 125 ASP C C 125 176.191 176.191 177.061 -0.870 25776 5216 1 7 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.243 -1.232 25776 5217 1 7 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.518 2.031 25776 5218 1 7 . 1 1 125 125 ASP H H 125 9.100 9.100 8.703 0.397 25776 5219 1 7 . 1 1 126 126 LEU N N 126 127.990 127.990 122.548 5.442 25776 5220 1 7 . 1 1 126 126 LEU C C 126 175.808 175.808 175.878 -0.070 25776 5221 1 7 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.239 2.029 25776 5222 1 7 . 1 1 126 126 LEU CB C 126 44.856 44.856 40.770 4.086 25776 5223 1 7 . 1 1 126 126 LEU H H 126 8.570 8.570 7.939 0.631 25776 5224 1 7 . 1 1 127 127 ALA N N 127 124.126 124.126 127.049 -2.923 25776 5225 1 7 . 1 1 127 127 ALA C C 127 179.833 179.833 176.922 2.911 25776 5226 1 7 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.339 0.382 25776 5227 1 7 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.747 0.312 25776 5228 1 7 . 1 1 127 127 ALA H H 127 7.885 7.885 8.323 -0.438 25776 5229 1 7 . 1 1 129 129 ASN C C 129 176.927 176.927 175.031 1.896 25776 5230 1 7 . 1 1 129 129 ASN CB C 129 37.473 37.473 40.489 -3.016 25776 5231 1 7 . 1 1 130 130 ARG N N 130 117.748 117.748 124.548 -6.800 25776 5232 1 7 . 1 1 130 130 ARG C C 130 179.430 179.430 177.715 1.715 25776 5233 1 7 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.670 -1.827 25776 5234 1 7 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.421 -0.095 25776 5235 1 7 . 1 1 130 130 ARG H H 130 7.435 7.435 8.797 -1.362 25776 5236 1 7 . 1 1 131 131 LYS N N 131 122.261 122.261 119.645 2.616 25776 5237 1 7 . 1 1 131 131 LYS C C 131 180.937 180.937 177.445 3.492 25776 5238 1 7 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.228 2.233 25776 5239 1 7 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.780 1.131 25776 5240 1 7 . 1 1 131 131 LYS H H 131 7.945 7.945 8.170 -0.225 25776 5241 1 7 . 1 1 132 132 ALA N N 132 122.083 122.083 122.187 -0.104 25776 5242 1 7 . 1 1 132 132 ALA C C 132 178.748 178.748 178.769 -0.021 25776 5243 1 7 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.431 0.938 25776 5244 1 7 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.017 1.112 25776 5245 1 7 . 1 1 132 132 ALA H H 132 7.770 7.770 7.911 -0.141 25776 5246 1 7 . 1 1 133 133 GLN N N 133 116.102 116.102 116.325 -0.223 25776 5247 1 7 . 1 1 133 133 GLN C C 133 175.525 175.525 177.293 -1.768 25776 5248 1 7 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.317 1.781 25776 5249 1 7 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.575 0.780 25776 5250 1 7 . 1 1 133 133 GLN H H 133 7.302 7.302 7.875 -0.573 25776 5251 1 7 . 1 1 134 134 GLY N N 134 104.444 104.444 110.651 -6.207 25776 5252 1 7 . 1 1 134 134 GLY C C 134 174.460 174.460 174.240 0.220 25776 5253 1 7 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.782 0.100 25776 5254 1 7 . 1 1 134 134 GLY H H 134 7.596 7.596 7.678 -0.082 25776 5255 1 7 . 1 1 135 135 PHE N N 135 119.775 119.775 119.265 0.510 25776 5256 1 7 . 1 1 135 135 PHE C C 135 174.922 174.922 175.835 -0.913 25776 5257 1 7 . 1 1 135 135 PHE CA C 135 58.894 58.894 57.332 1.562 25776 5258 1 7 . 1 1 135 135 PHE CB C 135 40.291 40.291 37.672 2.619 25776 5259 1 7 . 1 1 135 135 PHE H H 135 7.737 7.737 8.311 -0.574 25776 5260 1 7 . 1 1 136 136 SER N N 136 115.673 115.673 120.563 -4.890 25776 5261 1 7 . 1 1 136 136 SER C C 136 174.415 174.415 174.660 -0.245 25776 5262 1 7 . 1 1 136 136 SER CA C 136 59.679 59.679 59.536 0.143 25776 5263 1 7 . 1 1 136 136 SER CB C 136 66.246 66.246 64.285 1.961 25776 5264 1 7 . 1 1 136 136 SER H H 136 8.862 8.862 8.781 0.081 25776 5265 1 7 . 1 1 137 137 SER N N 137 114.341 114.341 117.031 -2.690 25776 5266 1 7 . 1 1 137 137 SER C C 137 172.164 172.164 174.004 -1.840 25776 5267 1 7 . 1 1 137 137 SER CA C 137 58.955 58.955 57.667 1.288 25776 5268 1 7 . 1 1 137 137 SER CB C 137 65.592 65.592 64.136 1.456 25776 5269 1 7 . 1 1 137 137 SER H H 137 7.912 7.912 8.265 -0.353 25776 5270 1 7 . 1 1 138 138 MET N N 138 120.555 120.555 123.194 -2.639 25776 5271 1 7 . 1 1 138 138 MET C C 138 173.189 173.189 176.324 -3.135 25776 5272 1 7 . 1 1 138 138 MET CA C 138 55.879 55.879 55.689 0.190 25776 5273 1 7 . 1 1 138 138 MET CB C 138 36.962 36.962 33.023 3.939 25776 5274 1 7 . 1 1 138 138 MET H H 138 8.461 8.461 8.510 -0.049 25776 5275 1 7 . 1 1 141 141 GLN C C 141 176.182 176.182 175.091 1.091 25776 5276 1 7 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.760 2.675 25776 5277 1 7 . 1 1 142 142 ASP N N 142 124.414 124.414 124.045 0.369 25776 5278 1 7 . 1 1 142 142 ASP C C 142 175.702 175.702 174.809 0.893 25776 5279 1 7 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.746 1.561 25776 5280 1 7 . 1 1 142 142 ASP CB C 142 41.738 41.738 42.443 -0.705 25776 5281 1 7 . 1 1 142 142 ASP H H 142 8.728 8.728 8.418 0.310 25776 5282 1 7 . 1 1 143 143 SER N N 143 114.920 114.920 117.422 -2.502 25776 5283 1 7 . 1 1 143 143 SER C C 143 172.289 172.289 173.464 -1.175 25776 5284 1 7 . 1 1 143 143 SER CA C 143 57.652 57.652 58.012 -0.360 25776 5285 1 7 . 1 1 143 143 SER CB C 143 66.215 66.215 64.437 1.778 25776 5286 1 7 . 1 1 143 143 SER H H 143 8.703 8.703 8.336 0.367 25776 5287 1 7 . 1 1 144 144 TRP N N 144 126.444 126.444 125.825 0.619 25776 5288 1 7 . 1 1 144 144 TRP C C 144 177.307 177.307 176.512 0.795 25776 5289 1 7 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.591 0.284 25776 5290 1 7 . 1 1 144 144 TRP CB C 144 33.364 33.364 31.396 1.968 25776 5291 1 7 . 1 1 144 144 TRP H H 144 8.101 8.101 8.557 -0.456 25776 5292 1 7 . 1 1 145 145 GLY N N 145 108.757 108.757 111.280 -2.523 25776 5293 1 7 . 1 1 145 145 GLY C C 145 171.985 171.985 172.323 -0.338 25776 5294 1 7 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.598 2.950 25776 5295 1 7 . 1 1 145 145 GLY H H 145 8.889 8.889 8.319 0.570 25776 5296 1 7 . 1 1 146 146 LEU N N 146 121.579 121.579 121.438 0.141 25776 5297 1 7 . 1 1 146 146 LEU C C 146 174.909 174.909 176.120 -1.211 25776 5298 1 7 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.002 2.173 25776 5299 1 7 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.301 1.862 25776 5300 1 7 . 1 1 146 146 LEU H H 146 9.035 9.035 8.547 0.488 25776 5301 1 7 . 1 1 147 147 ALA N N 147 121.342 121.342 128.334 -6.992 25776 5302 1 7 . 1 1 147 147 ALA C C 147 175.588 175.588 176.022 -0.434 25776 5303 1 7 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.973 0.961 25776 5304 1 7 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.777 2.328 25776 5305 1 7 . 1 1 147 147 ALA H H 147 8.123 8.123 9.108 -0.985 25776 5306 1 7 . 1 1 148 148 GLY N N 148 106.598 106.598 105.798 0.800 25776 5307 1 7 . 1 1 148 148 GLY C C 148 171.829 171.829 172.223 -0.394 25776 5308 1 7 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.140 -0.392 25776 5309 1 7 . 1 1 148 148 GLY H H 148 9.216 9.216 8.033 1.183 25776 5310 1 7 . 1 1 149 149 GLU N N 149 122.775 122.775 120.152 2.623 25776 5311 1 7 . 1 1 149 149 GLU C C 149 174.078 174.078 174.159 -0.081 25776 5312 1 7 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.983 -0.181 25776 5313 1 7 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.690 3.725 25776 5314 1 7 . 1 1 149 149 GLU H H 149 8.493 8.493 8.296 0.197 25776 5315 1 7 . 1 1 150 150 LEU N N 150 126.310 126.310 123.900 2.410 25776 5316 1 7 . 1 1 150 150 LEU C C 150 174.309 174.309 174.855 -0.546 25776 5317 1 7 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.282 0.660 25776 5318 1 7 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.864 2.627 25776 5319 1 7 . 1 1 150 150 LEU H H 150 8.580 8.580 8.163 0.417 25776 5320 1 7 . 1 1 151 151 GLY N N 151 109.909 109.909 110.763 -0.854 25776 5321 1 7 . 1 1 151 151 GLY C C 151 170.538 170.538 171.356 -0.818 25776 5322 1 7 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.050 0.570 25776 5323 1 7 . 1 1 151 151 GLY H H 151 8.115 8.115 8.655 -0.539 25776 5324 1 7 . 1 1 152 152 PHE N N 152 111.012 111.012 114.015 -3.003 25776 5325 1 7 . 1 1 152 152 PHE C C 152 171.455 171.455 172.831 -1.376 25776 5326 1 7 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.123 2.589 25776 5327 1 7 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.854 0.641 25776 5328 1 7 . 1 1 152 152 PHE H H 152 8.365 8.365 8.455 -0.090 25776 5329 1 7 . 1 1 153 153 ASP N N 153 119.057 119.057 121.342 -2.285 25776 5330 1 7 . 1 1 153 153 ASP C C 153 176.522 176.522 175.560 0.962 25776 5331 1 7 . 1 1 153 153 ASP CA C 153 53.466 53.466 52.782 0.684 25776 5332 1 7 . 1 1 153 153 ASP CB C 153 45.097 45.097 44.085 1.012 25776 5333 1 7 . 1 1 153 153 ASP H H 153 8.014 8.014 8.579 -0.565 25776 5334 1 7 . 1 1 154 154 TYR N N 154 123.640 123.640 123.846 -0.206 25776 5335 1 7 . 1 1 154 154 TYR C C 154 175.593 175.593 174.435 1.158 25776 5336 1 7 . 1 1 154 154 TYR CA C 154 57.888 57.888 55.487 2.401 25776 5337 1 7 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.083 4.739 25776 5338 1 7 . 1 1 154 154 TYR H H 154 9.744 9.744 8.242 1.502 25776 5339 1 7 . 1 1 155 155 MET N N 155 126.409 126.409 120.038 6.371 25776 5340 1 7 . 1 1 155 155 MET C C 155 174.938 174.938 175.726 -0.788 25776 5341 1 7 . 1 1 155 155 MET CA C 155 55.410 55.410 55.468 -0.058 25776 5342 1 7 . 1 1 155 155 MET CB C 155 29.170 29.170 33.436 -4.266 25776 5343 1 7 . 1 1 155 155 MET H H 155 8.659 8.659 8.283 0.376 25776 5344 1 7 . 1 1 156 156 LEU N N 156 125.396 125.396 122.937 2.459 25776 5345 1 7 . 1 1 156 156 LEU C C 156 177.567 177.567 177.756 -0.189 25776 5346 1 7 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.484 1.089 25776 5347 1 7 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.441 1.471 25776 5348 1 7 . 1 1 156 156 LEU H H 156 9.232 9.232 8.555 0.677 25776 5349 1 7 . 1 1 157 157 ASN N N 157 114.903 114.903 113.786 1.117 25776 5350 1 7 . 1 1 157 157 ASN C C 157 173.568 173.568 175.632 -2.064 25776 5351 1 7 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.079 -1.887 25776 5352 1 7 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.849 1.062 25776 5353 1 7 . 1 1 157 157 ASN H H 157 8.099 8.099 8.178 -0.079 25776 5354 1 7 . 1 1 158 158 GLU N N 158 114.724 114.724 118.544 -3.820 25776 5355 1 7 . 1 1 158 158 GLU C C 158 176.032 176.032 177.553 -1.521 25776 5356 1 7 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.359 2.318 25776 5357 1 7 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.374 0.141 25776 5358 1 7 . 1 1 158 158 GLU H H 158 8.625 8.625 8.605 0.020 25776 5359 1 7 . 1 1 159 159 HIS N N 159 111.022 111.022 114.848 -3.826 25776 5360 1 7 . 1 1 159 159 HIS C C 159 173.158 173.158 173.641 -0.483 25776 5361 1 7 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.583 0.853 25776 5362 1 7 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.955 1.437 25776 5363 1 7 . 1 1 159 159 HIS H H 159 8.201 8.201 8.245 -0.044 25776 5364 1 7 . 1 1 160 160 ALA N N 160 122.967 122.967 120.755 2.212 25776 5365 1 7 . 1 1 160 160 ALA C C 160 176.212 176.212 174.825 1.387 25776 5366 1 7 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.429 0.892 25776 5367 1 7 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.327 1.099 25776 5368 1 7 . 1 1 160 160 ALA H H 160 8.389 8.389 7.569 0.820 25776 5369 1 7 . 1 1 161 161 LEU N N 161 116.648 116.648 117.627 -0.979 25776 5370 1 7 . 1 1 161 161 LEU C C 161 174.922 174.922 175.356 -0.434 25776 5371 1 7 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.679 1.206 25776 5372 1 7 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.986 1.509 25776 5373 1 7 . 1 1 161 161 LEU H H 161 8.616 8.616 7.634 0.982 25776 5374 1 7 . 1 1 162 162 PHE N N 162 121.938 121.938 120.063 1.875 25776 5375 1 7 . 1 1 162 162 PHE C C 162 171.989 171.989 173.728 -1.739 25776 5376 1 7 . 1 1 162 162 PHE CA C 162 57.018 57.018 55.517 1.501 25776 5377 1 7 . 1 1 162 162 PHE CB C 162 44.089 44.089 41.584 2.505 25776 5378 1 7 . 1 1 162 162 PHE H H 162 9.221 9.221 8.365 0.856 25776 5379 1 7 . 1 1 163 163 ASN N N 163 127.932 127.932 122.994 4.938 25776 5380 1 7 . 1 1 163 163 ASN C C 163 171.357 171.357 173.605 -2.248 25776 5381 1 7 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.738 0.211 25776 5382 1 7 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.767 5.273 25776 5383 1 7 . 1 1 163 163 ASN H H 163 7.735 7.735 8.552 -0.817 25776 5384 1 7 . 1 1 164 164 MET N N 164 120.121 120.121 124.154 -4.033 25776 5385 1 7 . 1 1 164 164 MET C C 164 172.837 172.837 173.137 -0.300 25776 5386 1 7 . 1 1 164 164 MET CA C 164 55.914 55.914 54.697 1.217 25776 5387 1 7 . 1 1 164 164 MET CB C 164 38.643 38.643 36.753 1.890 25776 5388 1 7 . 1 1 164 164 MET H H 164 7.092 7.092 8.363 -1.271 25776 5389 1 7 . 1 1 165 165 ALA N N 165 120.745 120.745 125.418 -4.673 25776 5390 1 7 . 1 1 165 165 ALA C C 165 174.047 174.047 174.140 -0.093 25776 5391 1 7 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.553 0.861 25776 5392 1 7 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.762 0.382 25776 5393 1 7 . 1 1 165 165 ALA H H 165 8.370 8.370 8.641 -0.271 25776 5394 1 7 . 1 1 166 166 VAL N N 166 118.385 118.385 114.733 3.652 25776 5395 1 7 . 1 1 166 166 VAL C C 166 172.556 172.556 174.859 -2.303 25776 5396 1 7 . 1 1 166 166 VAL CA C 166 60.628 60.628 59.789 0.839 25776 5397 1 7 . 1 1 166 166 VAL CB C 166 36.127 36.127 31.726 4.401 25776 5398 1 7 . 1 1 166 166 VAL H H 166 8.723 8.723 8.613 0.110 25776 5399 1 7 . 1 1 167 167 TRP N N 167 123.258 123.258 129.371 -6.113 25776 5400 1 7 . 1 1 167 167 TRP C C 167 174.016 174.016 175.607 -1.591 25776 5401 1 7 . 1 1 167 167 TRP CA C 167 57.604 57.604 54.993 2.611 25776 5402 1 7 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.302 4.357 25776 5403 1 7 . 1 1 167 167 TRP H H 167 9.312 9.312 7.998 1.314 25776 5404 1 7 . 1 1 168 168 TYR N N 168 121.455 121.455 127.871 -6.416 25776 5405 1 7 . 1 1 168 168 TYR C C 168 175.110 175.110 176.044 -0.934 25776 5406 1 7 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.578 -1.392 25776 5407 1 7 . 1 1 168 168 TYR CB C 168 42.440 42.440 38.413 4.027 25776 5408 1 7 . 1 1 168 168 TYR H H 168 8.398 8.398 8.909 -0.511 25776 5409 1 7 . 1 1 169 169 MET N N 169 124.800 124.800 123.816 0.984 25776 5410 1 7 . 1 1 169 169 MET C C 169 172.688 172.688 176.440 -3.752 25776 5411 1 7 . 1 1 169 169 MET CA C 169 55.640 55.640 54.781 0.859 25776 5412 1 7 . 1 1 169 169 MET CB C 169 34.143 34.143 32.322 1.821 25776 5413 1 7 . 1 1 169 169 MET H H 169 8.131 8.131 8.443 -0.312 25776 5414 1 7 . 1 1 170 170 ASP N N 170 122.780 122.780 118.864 3.916 25776 5415 1 7 . 1 1 170 170 ASP C C 170 174.864 174.864 175.728 -0.864 25776 5416 1 7 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.725 1.158 25776 5417 1 7 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.156 0.522 25776 5418 1 7 . 1 1 170 170 ASP H H 170 8.191 8.191 8.255 -0.064 25776 5419 1 7 . 1 1 171 171 ILE N N 171 127.252 127.252 120.475 6.777 25776 5420 1 7 . 1 1 171 171 ILE C C 171 174.476 174.476 174.978 -0.502 25776 5421 1 7 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.495 0.448 25776 5422 1 7 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.535 0.986 25776 5423 1 7 . 1 1 171 171 ILE H H 171 7.805 7.805 8.311 -0.506 25776 5424 1 7 . 1 1 172 172 ASP N N 172 129.369 129.369 128.250 1.119 25776 5425 1 7 . 1 1 172 172 ASP C C 172 174.520 174.520 175.920 -1.400 25776 5426 1 7 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.280 -0.479 25776 5427 1 7 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.613 1.476 25776 5428 1 7 . 1 1 172 172 ASP H H 172 8.541 8.541 8.558 -0.017 25776 5429 1 7 . 1 1 173 173 THR N N 173 118.920 118.920 117.774 1.146 25776 5430 1 7 . 1 1 173 173 THR C C 173 172.170 172.170 174.482 -2.312 25776 5431 1 7 . 1 1 173 173 THR CA C 173 60.936 60.936 61.789 -0.853 25776 5432 1 7 . 1 1 173 173 THR CB C 173 70.002 70.002 69.571 0.431 25776 5433 1 7 . 1 1 173 173 THR H H 173 8.814 8.814 8.381 0.433 25776 5434 1 7 . 1 1 176 176 SER C C 176 174.672 174.672 173.125 1.547 25776 5435 1 7 . 1 1 176 176 SER CA C 176 58.834 58.834 57.672 1.161 25776 5436 1 7 . 1 1 176 176 SER CB C 176 64.984 64.984 63.236 1.748 25776 5437 1 7 . 1 1 177 177 ILE N N 177 121.645 121.645 126.506 -4.861 25776 5438 1 7 . 1 1 177 177 ILE C C 177 174.945 174.945 175.362 -0.417 25776 5439 1 7 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.633 1.713 25776 5440 1 7 . 1 1 177 177 ILE CB C 177 40.139 40.139 35.367 4.772 25776 5441 1 7 . 1 1 177 177 ILE H H 177 7.993 7.993 8.588 -0.595 25776 5442 1 7 . 1 1 178 178 ASN N N 178 127.223 127.223 125.938 1.285 25776 5443 1 7 . 1 1 178 178 ASN C C 178 179.120 179.120 175.174 3.946 25776 5444 1 7 . 1 1 178 178 ASN CA C 178 55.663 55.663 52.134 3.529 25776 5445 1 7 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.588 2.331 25776 5446 1 7 . 1 1 178 178 ASN H H 178 7.882 7.882 7.990 -0.108 25776 5447 1 7 . 1 1 182 182 ALA N N 182 124.095 124.095 128.952 -4.857 25776 5448 1 7 . 1 1 182 182 ALA C C 182 177.680 177.680 176.825 0.855 25776 5449 1 7 . 1 1 182 182 ALA CA C 182 54.216 54.216 52.235 1.981 25776 5450 1 7 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.217 0.552 25776 5451 1 7 . 1 1 182 182 ALA H H 182 8.100 8.100 8.348 -0.248 25776 5452 1 7 . 1 1 183 183 LEU N N 183 118.394 118.394 119.683 -1.289 25776 5453 1 7 . 1 1 183 183 LEU C C 183 177.352 177.352 176.645 0.707 25776 5454 1 7 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.117 1.710 25776 5455 1 7 . 1 1 183 183 LEU CB C 183 43.184 43.184 40.757 2.427 25776 5456 1 7 . 1 1 183 183 LEU H H 183 7.854 7.854 8.305 -0.451 25776 5457 1 7 . 1 1 184 184 GLY N N 184 107.897 107.897 106.691 1.206 25776 5458 1 7 . 1 1 184 184 GLY C C 184 174.288 174.288 173.801 0.487 25776 5459 1 7 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.492 1.184 25776 5460 1 7 . 1 1 184 184 GLY H H 184 7.883 7.883 8.108 -0.225 25776 5461 1 7 . 1 1 185 185 VAL N N 185 118.254 118.254 119.616 -1.362 25776 5462 1 7 . 1 1 185 185 VAL C C 185 175.475 175.475 175.798 -0.323 25776 5463 1 7 . 1 1 185 185 VAL CA C 185 63.048 63.048 59.905 3.143 25776 5464 1 7 . 1 1 185 185 VAL CB C 185 33.471 33.471 33.044 0.427 25776 5465 1 7 . 1 1 185 185 VAL H H 185 7.676 7.676 7.949 -0.273 25776 5466 1 7 . 1 1 186 186 ASN N N 186 121.756 121.756 119.829 1.927 25776 5467 1 7 . 1 1 186 186 ASN C C 186 174.724 174.724 174.320 0.404 25776 5468 1 7 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.021 1.572 25776 5469 1 7 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.084 0.814 25776 5470 1 7 . 1 1 186 186 ASN H H 186 8.331 8.331 8.379 -0.048 25776 5471 1 7 . 1 1 187 187 LYS N N 187 120.959 120.959 119.199 1.760 25776 5472 1 7 . 1 1 187 187 LYS C C 187 174.652 174.652 175.287 -0.635 25776 5473 1 7 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.343 0.855 25776 5474 1 7 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.325 -0.282 25776 5475 1 7 . 1 1 187 187 LYS H H 187 8.031 8.031 8.338 -0.307 25776 5476 1 7 . 1 1 189 189 LYS C C 189 176.088 176.088 176.074 0.014 25776 5477 1 7 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.656 0.787 25776 5478 1 7 . 1 1 190 190 VAL N N 190 121.122 121.122 123.416 -2.294 25776 5479 1 7 . 1 1 190 190 VAL C C 190 175.545 175.545 174.842 0.703 25776 5480 1 7 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.981 1.140 25776 5481 1 7 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.580 1.369 25776 5482 1 7 . 1 1 190 190 VAL H H 190 8.067 8.067 7.764 0.303 25776 5483 1 7 . 1 1 191 191 ASP N N 191 124.022 124.022 127.040 -3.018 25776 5484 1 7 . 1 1 191 191 ASP C C 191 175.710 175.710 175.497 0.213 25776 5485 1 7 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.299 0.970 25776 5486 1 7 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.097 0.881 25776 5487 1 7 . 1 1 191 191 ASP H H 191 8.282 8.282 8.375 -0.093 25776 5488 1 7 . 1 1 192 192 VAL N N 192 118.928 118.928 121.317 -2.389 25776 5489 1 7 . 1 1 192 192 VAL C C 192 175.433 175.433 174.915 0.518 25776 5490 1 7 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.639 1.181 25776 5491 1 7 . 1 1 192 192 VAL CB C 192 34.105 34.105 33.924 0.181 25776 5492 1 7 . 1 1 192 192 VAL H H 192 7.877 7.877 8.181 -0.304 25776 5493 1 7 . 1 1 193 193 ASP N N 193 124.364 124.364 126.648 -2.284 25776 5494 1 7 . 1 1 193 193 ASP C C 193 176.118 176.118 175.034 1.084 25776 5495 1 7 . 1 1 193 193 ASP CA C 193 55.211 55.211 53.807 1.403 25776 5496 1 7 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.256 -0.223 25776 5497 1 7 . 1 1 193 193 ASP H H 193 8.335 8.335 8.451 -0.116 25776 5498 1 7 . 1 1 198 198 VAL N N 198 126.400 126.400 124.334 2.066 25776 5499 1 7 . 1 1 198 198 VAL C C 198 174.600 174.600 174.741 -0.141 25776 5500 1 7 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.192 -1.752 25776 5501 1 7 . 1 1 198 198 VAL CB C 198 35.100 35.100 31.883 3.217 25776 5502 1 7 . 1 1 198 198 VAL H H 198 8.474 8.474 7.938 0.536 25776 5503 1 7 . 1 1 199 199 TYR N N 199 123.900 123.900 123.590 0.310 25776 5504 1 7 . 1 1 199 199 TYR C C 199 173.600 173.600 174.013 -0.413 25776 5505 1 7 . 1 1 199 199 TYR CA C 199 55.510 55.510 54.864 0.646 25776 5506 1 7 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.692 -0.062 25776 5507 1 7 . 1 1 199 199 TYR H H 199 8.748 8.748 7.460 1.288 25776 5508 1 7 . 1 1 200 200 MET N N 200 123.700 123.700 122.000 1.700 25776 5509 1 7 . 1 1 200 200 MET CA C 200 49.420 49.420 54.026 -4.606 25776 5510 1 7 . 1 1 200 200 MET H H 200 9.057 9.057 8.960 0.097 25776 5511 1 7 . 1 1 201 201 ILE C C 201 174.016 174.016 174.630 -0.614 25776 5512 1 7 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.283 1.191 25776 5513 1 7 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.775 1.660 25776 5514 1 7 . 1 1 202 202 GLY N N 202 113.215 113.215 114.641 -1.426 25776 5515 1 7 . 1 1 202 202 GLY C C 202 170.124 170.124 172.152 -2.028 25776 5516 1 7 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.682 2.877 25776 5517 1 7 . 1 1 202 202 GLY H H 202 8.646 8.646 8.315 0.331 25776 5518 1 7 . 1 1 203 203 PHE N N 203 116.782 116.782 117.630 -0.848 25776 5519 1 7 . 1 1 203 203 PHE C C 203 174.063 174.063 174.740 -0.677 25776 5520 1 7 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.722 -0.271 25776 5521 1 7 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.743 1.956 25776 5522 1 7 . 1 1 203 203 PHE H H 203 8.482 8.482 8.535 -0.053 25776 5523 1 7 . 1 1 204 204 GLY N N 204 105.936 105.936 106.071 -0.135 25776 5524 1 7 . 1 1 204 204 GLY C C 204 171.097 171.097 171.688 -0.591 25776 5525 1 7 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.765 2.709 25776 5526 1 7 . 1 1 204 204 GLY H H 204 9.003 9.003 7.784 1.219 25776 5527 1 7 . 1 1 205 205 TYR N N 205 121.196 121.196 118.002 3.194 25776 5528 1 7 . 1 1 205 205 TYR C C 205 172.994 172.994 174.442 -1.448 25776 5529 1 7 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.351 0.335 25776 5530 1 7 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.322 1.868 25776 5531 1 7 . 1 1 205 205 TYR H H 205 9.413 9.413 8.914 0.499 25776 5532 1 7 . 1 1 206 206 LYS N N 206 126.788 126.788 124.116 2.672 25776 5533 1 7 . 1 1 206 206 LYS C C 206 174.161 174.161 175.797 -1.636 25776 5534 1 7 . 1 1 206 206 LYS CA C 206 55.430 55.430 56.504 -1.073 25776 5535 1 7 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.524 1.901 25776 5536 1 7 . 1 1 206 206 LYS H H 206 8.364 8.364 8.688 -0.324 25776 5537 1 7 . 1 1 207 207 PHE N N 207 126.168 126.168 123.780 2.388 25776 5538 1 7 . 1 1 207 207 PHE C C 207 175.094 175.094 174.538 0.556 25776 5539 1 7 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.121 1.569 25776 5540 1 7 . 1 1 207 207 PHE CB C 207 41.663 41.663 42.242 -0.579 25776 5541 1 7 . 1 1 207 207 PHE H H 207 9.308 9.308 8.505 0.803 25776 5542 1 7 . 1 1 208 208 LEU N N 208 123.199 123.199 124.183 -0.984 25776 5543 1 7 . 1 1 208 208 LEU C C 208 176.580 176.580 175.361 1.219 25776 5544 1 7 . 1 1 208 208 LEU CA C 208 55.471 55.471 53.937 1.534 25776 5545 1 7 . 1 1 208 208 LEU CB C 208 44.713 44.713 44.340 0.373 25776 5546 1 7 . 1 1 208 208 LEU H H 208 8.376 8.376 8.015 0.361 25776 5547 1 7 . 1 1 209 209 GLU N N 209 121.960 121.960 122.855 -0.895 25776 5548 1 7 . 1 1 209 209 GLU C C 209 176.226 176.226 175.064 1.162 25776 5549 1 7 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.674 2.058 25776 5550 1 7 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.810 0.643 25776 5551 1 7 . 1 1 209 209 GLU H H 209 8.500 8.500 8.434 0.066 25776 5552 1 8 . 1 1 2 2 HIS C C 2 175.393 175.393 173.588 1.805 25776 5553 1 8 . 1 1 2 2 HIS CA C 2 53.804 53.804 56.319 -2.515 25776 5554 1 8 . 1 1 2 2 HIS CB C 2 30.780 30.780 30.215 0.565 25776 5555 1 8 . 1 1 3 3 LYS N N 3 121.908 121.908 120.622 1.286 25776 5556 1 8 . 1 1 3 3 LYS C C 3 173.475 173.475 175.156 -1.681 25776 5557 1 8 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.975 0.052 25776 5558 1 8 . 1 1 3 3 LYS CB C 3 35.200 35.200 34.883 0.317 25776 5559 1 8 . 1 1 3 3 LYS H H 3 8.608 8.608 7.914 0.694 25776 5560 1 8 . 1 1 4 4 ALA N N 4 120.771 120.771 122.609 -1.838 25776 5561 1 8 . 1 1 4 4 ALA C C 4 178.118 178.118 177.735 0.383 25776 5562 1 8 . 1 1 4 4 ALA CA C 4 53.439 53.439 51.595 1.844 25776 5563 1 8 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.484 -0.435 25776 5564 1 8 . 1 1 4 4 ALA H H 4 8.581 8.581 8.260 0.321 25776 5565 1 8 . 1 1 5 5 GLY N N 5 112.807 112.807 111.860 0.947 25776 5566 1 8 . 1 1 5 5 GLY C C 5 173.788 173.788 174.245 -0.457 25776 5567 1 8 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.827 -0.007 25776 5568 1 8 . 1 1 5 5 GLY H H 5 9.170 9.170 8.392 0.778 25776 5569 1 8 . 1 1 6 6 ASP N N 6 121.504 121.504 120.452 1.052 25776 5570 1 8 . 1 1 6 6 ASP C C 6 174.307 174.307 174.455 -0.148 25776 5571 1 8 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.037 0.781 25776 5572 1 8 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.555 0.020 25776 5573 1 8 . 1 1 6 6 ASP H H 6 7.619 7.619 7.439 0.180 25776 5574 1 8 . 1 1 7 7 PHE N N 7 121.212 121.212 127.286 -6.074 25776 5575 1 8 . 1 1 7 7 PHE C C 7 174.030 174.030 173.780 0.250 25776 5576 1 8 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.825 -1.224 25776 5577 1 8 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.005 3.071 25776 5578 1 8 . 1 1 7 7 PHE H H 7 8.285 8.285 8.530 -0.245 25776 5579 1 8 . 1 1 8 8 ILE N N 8 128.185 128.185 127.456 0.729 25776 5580 1 8 . 1 1 8 8 ILE C C 8 173.961 173.961 174.634 -0.673 25776 5581 1 8 . 1 1 8 8 ILE CA C 8 61.723 61.723 58.369 3.354 25776 5582 1 8 . 1 1 8 8 ILE CB C 8 43.669 43.669 39.663 4.006 25776 5583 1 8 . 1 1 8 8 ILE H H 8 9.245 9.245 7.949 1.296 25776 5584 1 8 . 1 1 9 9 ILE N N 9 125.624 125.624 127.826 -2.202 25776 5585 1 8 . 1 1 9 9 ILE C C 9 173.731 173.731 174.712 -0.981 25776 5586 1 8 . 1 1 9 9 ILE CA C 9 60.290 60.290 61.395 -1.105 25776 5587 1 8 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.361 2.729 25776 5588 1 8 . 1 1 9 9 ILE H H 9 8.628 8.628 8.739 -0.111 25776 5589 1 8 . 1 1 10 10 ARG N N 10 125.025 125.025 127.636 -2.611 25776 5590 1 8 . 1 1 10 10 ARG C C 10 175.074 175.074 175.534 -0.460 25776 5591 1 8 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.776 0.718 25776 5592 1 8 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.239 -1.467 25776 5593 1 8 . 1 1 10 10 ARG H H 10 9.225 9.225 9.149 0.076 25776 5594 1 8 . 1 1 11 11 GLY N N 11 106.141 106.141 110.160 -4.019 25776 5595 1 8 . 1 1 11 11 GLY C C 11 171.959 171.959 172.078 -0.119 25776 5596 1 8 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.371 -0.164 25776 5597 1 8 . 1 1 11 11 GLY H H 11 8.885 8.885 8.892 -0.007 25776 5598 1 8 . 1 1 12 12 GLY N N 12 107.818 107.818 107.468 0.350 25776 5599 1 8 . 1 1 12 12 GLY C C 12 171.465 171.465 171.795 -0.330 25776 5600 1 8 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.914 2.399 25776 5601 1 8 . 1 1 12 12 GLY H H 12 8.433 8.433 7.880 0.553 25776 5602 1 8 . 1 1 13 13 PHE N N 13 120.233 120.233 119.666 0.567 25776 5603 1 8 . 1 1 13 13 PHE C C 13 174.056 174.056 176.035 -1.979 25776 5604 1 8 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.461 -0.310 25776 5605 1 8 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.646 -0.021 25776 5606 1 8 . 1 1 13 13 PHE H H 13 8.606 8.606 8.807 -0.201 25776 5607 1 8 . 1 1 18 18 PRO C C 18 176.552 176.552 175.992 0.560 25776 5608 1 8 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.321 0.770 25776 5609 1 8 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.337 1.312 25776 5610 1 8 . 1 1 19 19 ASP N N 19 121.094 121.094 119.443 1.651 25776 5611 1 8 . 1 1 19 19 ASP C C 19 176.047 176.047 176.941 -0.894 25776 5612 1 8 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.092 0.182 25776 5613 1 8 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.003 1.040 25776 5614 1 8 . 1 1 19 19 ASP H H 19 8.372 8.372 8.459 -0.087 25776 5615 1 8 . 1 1 20 20 ASP N N 20 123.179 123.179 118.648 4.531 25776 5616 1 8 . 1 1 20 20 ASP C C 20 176.790 176.790 175.756 1.034 25776 5617 1 8 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.598 0.497 25776 5618 1 8 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.237 0.597 25776 5619 1 8 . 1 1 20 20 ASP H H 20 8.357 8.357 8.079 0.278 25776 5620 1 8 . 1 1 21 21 SER N N 21 117.319 117.319 114.640 2.679 25776 5621 1 8 . 1 1 21 21 SER C C 21 175.218 175.218 172.976 2.242 25776 5622 1 8 . 1 1 21 21 SER CA C 21 60.134 60.134 59.229 0.905 25776 5623 1 8 . 1 1 21 21 SER CB C 21 64.701 64.701 62.699 2.002 25776 5624 1 8 . 1 1 21 21 SER H H 21 8.398 8.398 8.237 0.161 25776 5625 1 8 . 1 1 22 22 SER N N 22 117.994 117.994 114.588 3.406 25776 5626 1 8 . 1 1 22 22 SER C C 22 174.877 174.877 174.278 0.599 25776 5627 1 8 . 1 1 22 22 SER CA C 22 59.839 59.839 58.065 1.774 25776 5628 1 8 . 1 1 22 22 SER CB C 22 64.669 64.669 63.591 1.078 25776 5629 1 8 . 1 1 22 22 SER H H 22 8.314 8.314 7.884 0.430 25776 5630 1 8 . 1 1 23 23 SER N N 23 117.809 117.809 120.156 -2.347 25776 5631 1 8 . 1 1 23 23 SER C C 23 174.298 174.298 174.829 -0.531 25776 5632 1 8 . 1 1 23 23 SER CA C 23 59.629 59.629 58.797 0.832 25776 5633 1 8 . 1 1 23 23 SER CB C 23 64.802 64.802 63.442 1.360 25776 5634 1 8 . 1 1 23 23 SER H H 23 8.143 8.143 8.302 -0.159 25776 5635 1 8 . 1 1 24 24 ASP N N 24 122.829 122.829 121.616 1.213 25776 5636 1 8 . 1 1 24 24 ASP C C 24 176.250 176.250 175.074 1.176 25776 5637 1 8 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.805 1.688 25776 5638 1 8 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.445 -0.604 25776 5639 1 8 . 1 1 24 24 ASP H H 24 8.234 8.234 8.106 0.128 25776 5640 1 8 . 1 1 25 25 ILE N N 25 120.717 120.717 115.013 5.704 25776 5641 1 8 . 1 1 25 25 ILE C C 25 176.204 176.204 175.339 0.865 25776 5642 1 8 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.788 0.768 25776 5643 1 8 . 1 1 25 25 ILE CB C 25 39.668 39.668 37.833 1.835 25776 5644 1 8 . 1 1 25 25 ILE H H 25 7.884 7.884 8.172 -0.288 25776 5645 1 8 . 1 1 26 26 LYS N N 26 124.527 124.527 120.708 3.819 25776 5646 1 8 . 1 1 26 26 LYS C C 26 176.616 176.616 175.250 1.366 25776 5647 1 8 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.198 0.994 25776 5648 1 8 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.533 0.276 25776 5649 1 8 . 1 1 26 26 LYS H H 26 8.164 8.164 7.996 0.168 25776 5650 1 8 . 1 1 27 27 LEU N N 27 123.292 123.292 122.430 0.862 25776 5651 1 8 . 1 1 27 27 LEU C C 27 177.077 177.077 175.703 1.374 25776 5652 1 8 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.594 1.579 25776 5653 1 8 . 1 1 27 27 LEU CB C 27 43.317 43.317 43.045 0.272 25776 5654 1 8 . 1 1 27 27 LEU H H 27 8.100 8.100 7.801 0.299 25776 5655 1 8 . 1 1 28 28 ASP N N 28 121.059 121.059 125.035 -3.976 25776 5656 1 8 . 1 1 28 28 ASP C C 28 176.929 176.929 176.251 0.678 25776 5657 1 8 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.334 1.014 25776 5658 1 8 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.298 0.777 25776 5659 1 8 . 1 1 28 28 ASP H H 28 8.209 8.209 8.633 -0.424 25776 5660 1 8 . 1 1 29 29 GLY N N 29 110.032 110.032 111.377 -1.345 25776 5661 1 8 . 1 1 29 29 GLY C C 29 174.364 174.364 173.921 0.443 25776 5662 1 8 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.046 1.832 25776 5663 1 8 . 1 1 29 29 GLY H H 29 8.274 8.274 8.325 -0.051 25776 5664 1 8 . 1 1 30 30 ALA N N 30 124.102 124.102 120.932 3.170 25776 5665 1 8 . 1 1 30 30 ALA C C 30 178.005 178.005 176.984 1.021 25776 5666 1 8 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.300 1.524 25776 5667 1 8 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.942 0.185 25776 5668 1 8 . 1 1 30 30 ALA H H 30 8.085 8.085 7.918 0.167 25776 5669 1 8 . 1 1 31 31 LYS N N 31 119.810 119.810 120.935 -1.125 25776 5670 1 8 . 1 1 31 31 LYS C C 31 176.650 176.650 174.714 1.936 25776 5671 1 8 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.335 1.137 25776 5672 1 8 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.742 0.206 25776 5673 1 8 . 1 1 31 31 LYS H H 31 8.075 8.075 8.212 -0.137 25776 5674 1 8 . 1 1 32 32 GLN N N 32 121.045 121.045 121.788 -0.743 25776 5675 1 8 . 1 1 32 32 GLN C C 32 175.862 175.862 175.435 0.427 25776 5676 1 8 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.361 1.577 25776 5677 1 8 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.445 0.749 25776 5678 1 8 . 1 1 32 32 GLN H H 32 8.182 8.182 8.390 -0.208 25776 5679 1 8 . 1 1 33 33 ARG N N 33 122.683 122.683 124.318 -1.635 25776 5680 1 8 . 1 1 33 33 ARG C C 33 176.492 176.492 175.752 0.740 25776 5681 1 8 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.587 1.495 25776 5682 1 8 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.720 1.232 25776 5683 1 8 . 1 1 33 33 ARG H H 33 8.288 8.288 8.687 -0.399 25776 5684 1 8 . 1 1 36 36 LYS C C 36 176.028 176.028 175.754 0.274 25776 5685 1 8 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.202 1.021 25776 5686 1 8 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.376 1.886 25776 5687 1 8 . 1 1 37 37 ALA N N 37 125.793 125.793 121.805 3.988 25776 5688 1 8 . 1 1 37 37 ALA C C 37 177.567 177.567 176.018 1.549 25776 5689 1 8 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.270 1.298 25776 5690 1 8 . 1 1 37 37 ALA CB C 37 20.408 20.408 20.387 0.021 25776 5691 1 8 . 1 1 37 37 ALA H H 37 8.329 8.329 7.608 0.721 25776 5692 1 8 . 1 1 38 38 THR N N 38 113.398 113.398 117.768 -4.370 25776 5693 1 8 . 1 1 38 38 THR C C 38 174.556 174.556 174.148 0.408 25776 5694 1 8 . 1 1 38 38 THR CA C 38 62.551 62.551 62.170 0.380 25776 5695 1 8 . 1 1 38 38 THR CB C 38 71.054 71.054 67.773 3.281 25776 5696 1 8 . 1 1 38 38 THR H H 38 8.007 8.007 8.462 -0.455 25776 5697 1 8 . 1 1 39 39 VAL N N 39 120.865 120.865 126.114 -5.249 25776 5698 1 8 . 1 1 39 39 VAL C C 39 175.523 175.523 174.856 0.667 25776 5699 1 8 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.003 1.097 25776 5700 1 8 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.507 1.537 25776 5701 1 8 . 1 1 39 39 VAL H H 39 8.043 8.043 8.235 -0.192 25776 5702 1 8 . 1 1 40 40 ASP N N 40 124.053 124.053 121.691 2.362 25776 5703 1 8 . 1 1 40 40 ASP C C 40 176.132 176.132 176.308 -0.176 25776 5704 1 8 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.665 0.616 25776 5705 1 8 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.475 0.744 25776 5706 1 8 . 1 1 40 40 ASP H H 40 8.333 8.333 8.183 0.150 25776 5707 1 8 . 1 1 41 41 SER N N 41 115.655 115.655 119.823 -4.168 25776 5708 1 8 . 1 1 41 41 SER C C 41 174.147 174.147 174.822 -0.675 25776 5709 1 8 . 1 1 41 41 SER CA C 41 59.367 59.367 59.085 0.282 25776 5710 1 8 . 1 1 41 41 SER CB C 41 65.027 65.027 64.296 0.731 25776 5711 1 8 . 1 1 41 41 SER H H 41 8.142 8.142 8.554 -0.412 25776 5712 1 8 . 1 1 42 42 ASP N N 42 123.005 123.005 122.050 0.955 25776 5713 1 8 . 1 1 42 42 ASP C C 42 176.578 176.578 176.068 0.510 25776 5714 1 8 . 1 1 42 42 ASP CA C 42 55.439 55.439 53.567 1.872 25776 5715 1 8 . 1 1 42 42 ASP CB C 42 42.404 42.404 40.113 2.291 25776 5716 1 8 . 1 1 42 42 ASP H H 42 8.433 8.433 8.324 0.109 25776 5717 1 8 . 1 1 43 43 THR C C 43 176.244 176.244 175.351 0.893 25776 5718 1 8 . 1 1 43 43 THR CA C 43 62.772 62.772 63.531 -0.759 25776 5719 1 8 . 1 1 43 43 THR CB C 43 71.018 71.018 69.573 1.445 25776 5720 1 8 . 1 1 44 44 GLN N N 44 123.824 123.824 119.283 4.541 25776 5721 1 8 . 1 1 44 44 GLN C C 44 177.061 177.061 175.335 1.726 25776 5722 1 8 . 1 1 44 44 GLN CA C 44 57.279 57.279 56.255 1.024 25776 5723 1 8 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.570 4.092 25776 5724 1 8 . 1 1 44 44 GLN H H 44 8.270 8.270 8.032 0.238 25776 5725 1 8 . 1 1 45 45 LEU N N 45 122.159 122.159 116.560 5.599 25776 5726 1 8 . 1 1 45 45 LEU C C 45 176.419 176.419 176.021 0.398 25776 5727 1 8 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.758 2.360 25776 5728 1 8 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.360 -0.739 25776 5729 1 8 . 1 1 45 45 LEU H H 45 7.940 7.940 8.066 -0.126 25776 5730 1 8 . 1 1 46 46 GLY N N 46 107.861 107.861 106.856 1.005 25776 5731 1 8 . 1 1 46 46 GLY C C 46 171.538 171.538 172.396 -0.858 25776 5732 1 8 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.275 0.500 25776 5733 1 8 . 1 1 46 46 GLY H H 46 8.566 8.566 7.810 0.756 25776 5734 1 8 . 1 1 47 47 LEU N N 47 122.959 122.959 123.027 -0.068 25776 5735 1 8 . 1 1 47 47 LEU C C 47 175.422 175.422 175.398 0.024 25776 5736 1 8 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.183 0.148 25776 5737 1 8 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.905 2.438 25776 5738 1 8 . 1 1 47 47 LEU H H 47 8.457 8.457 8.469 -0.012 25776 5739 1 8 . 1 1 48 48 THR N N 48 112.144 112.144 118.287 -6.143 25776 5740 1 8 . 1 1 48 48 THR C C 48 172.347 172.347 173.224 -0.877 25776 5741 1 8 . 1 1 48 48 THR CA C 48 59.573 59.573 61.386 -1.813 25776 5742 1 8 . 1 1 48 48 THR CB C 48 72.843 72.843 71.225 1.618 25776 5743 1 8 . 1 1 48 48 THR H H 48 8.814 8.814 8.631 0.183 25776 5744 1 8 . 1 1 49 49 PHE N N 49 118.787 118.787 126.439 -7.652 25776 5745 1 8 . 1 1 49 49 PHE C C 49 174.623 174.623 175.719 -1.096 25776 5746 1 8 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.664 -1.927 25776 5747 1 8 . 1 1 49 49 PHE CB C 49 42.986 42.986 39.302 3.684 25776 5748 1 8 . 1 1 49 49 PHE H H 49 8.455 8.455 9.000 -0.545 25776 5749 1 8 . 1 1 50 50 THR N N 50 121.279 121.279 120.922 0.357 25776 5750 1 8 . 1 1 50 50 THR C C 50 173.272 173.272 173.450 -0.178 25776 5751 1 8 . 1 1 50 50 THR CA C 50 63.315 63.315 61.535 1.780 25776 5752 1 8 . 1 1 50 50 THR CB C 50 74.327 74.327 70.565 3.762 25776 5753 1 8 . 1 1 50 50 THR H H 50 9.372 9.372 8.940 0.432 25776 5754 1 8 . 1 1 51 51 TYR N N 51 126.005 126.005 125.458 0.547 25776 5755 1 8 . 1 1 51 51 TYR C C 51 174.837 174.837 174.469 0.368 25776 5756 1 8 . 1 1 51 51 TYR CA C 51 56.860 56.860 57.059 -0.199 25776 5757 1 8 . 1 1 51 51 TYR CB C 51 42.447 42.447 41.544 0.903 25776 5758 1 8 . 1 1 51 51 TYR H H 51 9.157 9.157 8.796 0.361 25776 5759 1 8 . 1 1 52 52 MET N N 52 127.601 127.601 125.086 2.515 25776 5760 1 8 . 1 1 52 52 MET C C 52 174.466 174.466 174.924 -0.458 25776 5761 1 8 . 1 1 52 52 MET CA C 52 53.171 53.171 56.111 -2.940 25776 5762 1 8 . 1 1 52 52 MET CB C 52 29.467 29.467 34.200 -4.733 25776 5763 1 8 . 1 1 52 52 MET H H 52 7.998 7.998 8.152 -0.154 25776 5764 1 8 . 1 1 53 53 PHE N N 53 123.918 123.918 123.200 0.718 25776 5765 1 8 . 1 1 53 53 PHE C C 53 173.685 173.685 174.940 -1.255 25776 5766 1 8 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.084 1.530 25776 5767 1 8 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.739 -3.628 25776 5768 1 8 . 1 1 53 53 PHE H H 53 7.762 7.762 9.412 -1.650 25776 5769 1 8 . 1 1 54 54 ALA N N 54 125.892 125.892 124.021 1.871 25776 5770 1 8 . 1 1 54 54 ALA C C 54 174.976 174.976 177.969 -2.993 25776 5771 1 8 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.353 -1.910 25776 5772 1 8 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.443 4.091 25776 5773 1 8 . 1 1 54 54 ALA H H 54 8.396 8.396 8.207 0.189 25776 5774 1 8 . 1 1 55 55 ASP N N 55 118.951 118.951 117.731 1.220 25776 5775 1 8 . 1 1 55 55 ASP C C 55 174.777 174.777 175.439 -0.662 25776 5776 1 8 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.351 1.788 25776 5777 1 8 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.179 0.769 25776 5778 1 8 . 1 1 55 55 ASP H H 55 8.632 8.632 9.023 -0.391 25776 5779 1 8 . 1 1 56 56 LYS N N 56 106.363 106.363 113.729 -7.366 25776 5780 1 8 . 1 1 56 56 LYS C C 56 174.930 174.930 173.926 1.004 25776 5781 1 8 . 1 1 56 56 LYS CA C 56 55.870 55.870 55.604 0.266 25776 5782 1 8 . 1 1 56 56 LYS CB C 56 35.437 35.437 30.701 4.736 25776 5783 1 8 . 1 1 56 56 LYS H H 56 7.300 7.300 8.037 -0.737 25776 5784 1 8 . 1 1 57 57 TRP N N 57 115.784 115.784 122.960 -7.176 25776 5785 1 8 . 1 1 57 57 TRP C C 57 173.960 173.960 175.464 -1.504 25776 5786 1 8 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.733 -1.776 25776 5787 1 8 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.416 2.760 25776 5788 1 8 . 1 1 57 57 TRP H H 57 6.612 6.612 7.726 -1.114 25776 5789 1 8 . 1 1 58 58 GLY N N 58 107.657 107.657 110.398 -2.741 25776 5790 1 8 . 1 1 58 58 GLY C C 58 172.720 172.720 172.313 0.407 25776 5791 1 8 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.093 0.691 25776 5792 1 8 . 1 1 58 58 GLY H H 58 9.271 9.271 8.466 0.805 25776 5793 1 8 . 1 1 59 59 VAL N N 59 118.434 118.434 126.244 -7.810 25776 5794 1 8 . 1 1 59 59 VAL C C 59 172.973 172.973 174.426 -1.453 25776 5795 1 8 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.859 -1.221 25776 5796 1 8 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.849 3.187 25776 5797 1 8 . 1 1 59 59 VAL H H 59 9.080 9.080 8.959 0.121 25776 5798 1 8 . 1 1 60 60 GLU N N 60 127.915 127.915 128.516 -0.601 25776 5799 1 8 . 1 1 60 60 GLU C C 60 174.464 174.464 174.701 -0.237 25776 5800 1 8 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.661 -0.910 25776 5801 1 8 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.190 2.853 25776 5802 1 8 . 1 1 60 60 GLU H H 60 9.431 9.431 8.898 0.533 25776 5803 1 8 . 1 1 61 61 LEU N N 61 127.764 127.764 127.377 0.387 25776 5804 1 8 . 1 1 61 61 LEU C C 61 174.746 174.746 175.460 -0.714 25776 5805 1 8 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.002 -0.010 25776 5806 1 8 . 1 1 61 61 LEU CB C 61 46.880 46.880 44.637 2.243 25776 5807 1 8 . 1 1 61 61 LEU H H 61 8.730 8.730 8.795 -0.065 25776 5808 1 8 . 1 1 62 62 VAL N N 62 126.465 126.465 124.058 2.407 25776 5809 1 8 . 1 1 62 62 VAL C C 62 174.453 174.453 175.206 -0.753 25776 5810 1 8 . 1 1 62 62 VAL CA C 62 62.285 62.285 60.856 1.429 25776 5811 1 8 . 1 1 62 62 VAL CB C 62 35.086 35.086 31.546 3.540 25776 5812 1 8 . 1 1 62 62 VAL H H 62 9.068 9.068 8.909 0.159 25776 5813 1 8 . 1 1 63 63 ALA N N 63 130.444 130.444 128.040 2.404 25776 5814 1 8 . 1 1 63 63 ALA C C 63 174.030 174.030 174.700 -0.670 25776 5815 1 8 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.694 -0.445 25776 5816 1 8 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.965 1.538 25776 5817 1 8 . 1 1 63 63 ALA H H 63 9.124 9.124 9.082 0.042 25776 5818 1 8 . 1 1 64 64 ALA N N 64 121.285 121.285 120.962 0.323 25776 5819 1 8 . 1 1 64 64 ALA C C 64 176.843 176.843 176.801 0.042 25776 5820 1 8 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.962 0.208 25776 5821 1 8 . 1 1 64 64 ALA CB C 64 23.172 23.172 21.148 2.024 25776 5822 1 8 . 1 1 64 64 ALA H H 64 7.995 7.995 8.460 -0.465 25776 5823 1 8 . 1 1 65 65 THR N N 65 109.734 109.734 115.698 -5.964 25776 5824 1 8 . 1 1 65 65 THR C C 65 176.739 176.739 173.902 2.837 25776 5825 1 8 . 1 1 65 65 THR CA C 65 61.660 61.660 58.737 2.923 25776 5826 1 8 . 1 1 65 65 THR CB C 65 68.341 68.341 70.378 -2.037 25776 5827 1 8 . 1 1 65 65 THR H H 65 8.108 8.108 8.160 -0.052 25776 5828 1 8 . 1 1 67 67 PHE N N 67 123.676 123.676 118.685 4.991 25776 5829 1 8 . 1 1 67 67 PHE CA C 67 56.849 56.849 58.739 -1.890 25776 5830 1 8 . 1 1 67 67 PHE H H 67 8.382 8.382 7.825 0.557 25776 5831 1 8 . 1 1 74 74 LYS C C 74 177.704 177.704 176.871 0.833 25776 5832 1 8 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.976 0.052 25776 5833 1 8 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.830 1.232 25776 5834 1 8 . 1 1 75 75 GLY N N 75 108.841 108.841 109.089 -0.248 25776 5835 1 8 . 1 1 75 75 GLY C C 75 174.405 174.405 172.593 1.812 25776 5836 1 8 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.483 2.229 25776 5837 1 8 . 1 1 75 75 GLY H H 75 8.069 8.069 7.859 0.210 25776 5838 1 8 . 1 1 76 76 LEU N N 76 120.093 120.093 122.240 -2.147 25776 5839 1 8 . 1 1 76 76 LEU C C 76 176.997 176.997 176.628 0.369 25776 5840 1 8 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.650 1.530 25776 5841 1 8 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.086 3.911 25776 5842 1 8 . 1 1 76 76 LEU H H 76 7.623 7.623 8.332 -0.709 25776 5843 1 8 . 1 1 79 79 GLY C C 79 175.675 175.675 174.564 1.111 25776 5844 1 8 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.444 1.655 25776 5845 1 8 . 1 1 80 80 LEU N N 80 130.062 130.062 122.276 7.786 25776 5846 1 8 . 1 1 80 80 LEU C C 80 176.062 176.062 177.049 -0.987 25776 5847 1 8 . 1 1 80 80 LEU CA C 80 55.404 55.404 57.194 -1.790 25776 5848 1 8 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.420 0.586 25776 5849 1 8 . 1 1 80 80 LEU H H 80 9.441 9.441 7.557 1.884 25776 5850 1 8 . 1 1 81 81 ASP N N 81 124.816 124.816 118.686 6.130 25776 5851 1 8 . 1 1 81 81 ASP C C 81 178.992 178.992 176.611 2.381 25776 5852 1 8 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.523 1.246 25776 5853 1 8 . 1 1 81 81 ASP CB C 81 41.947 41.947 39.722 2.225 25776 5854 1 8 . 1 1 81 81 ASP H H 81 7.854 7.854 8.357 -0.503 25776 5855 1 8 . 1 1 91 91 PRO C C 91 175.297 175.297 175.714 -0.417 25776 5856 1 8 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.449 -0.616 25776 5857 1 8 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.590 0.941 25776 5858 1 8 . 1 1 92 92 ALA N N 92 123.521 123.521 122.193 1.328 25776 5859 1 8 . 1 1 92 92 ALA C C 92 175.643 175.643 175.690 -0.047 25776 5860 1 8 . 1 1 92 92 ALA CA C 92 52.675 52.675 52.081 0.594 25776 5861 1 8 . 1 1 92 92 ALA CB C 92 22.725 22.725 21.792 0.933 25776 5862 1 8 . 1 1 92 92 ALA H H 92 8.829 8.829 8.258 0.571 25776 5863 1 8 . 1 1 93 93 THR N N 93 117.599 117.599 121.034 -3.435 25776 5864 1 8 . 1 1 93 93 THR C C 93 171.440 171.440 173.118 -1.678 25776 5865 1 8 . 1 1 93 93 THR CA C 93 62.066 62.066 61.882 0.184 25776 5866 1 8 . 1 1 93 93 THR CB C 93 72.352 72.352 70.712 1.640 25776 5867 1 8 . 1 1 93 93 THR H H 93 8.237 8.237 8.174 0.063 25776 5868 1 8 . 1 1 94 94 LEU N N 94 129.530 129.530 128.363 1.167 25776 5869 1 8 . 1 1 94 94 LEU C C 94 174.995 174.995 174.839 0.156 25776 5870 1 8 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.516 0.678 25776 5871 1 8 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.320 1.845 25776 5872 1 8 . 1 1 94 94 LEU H H 94 8.732 8.732 8.997 -0.265 25776 5873 1 8 . 1 1 95 95 LEU N N 95 124.181 124.181 124.191 -0.010 25776 5874 1 8 . 1 1 95 95 LEU C C 95 175.270 175.270 174.844 0.426 25776 5875 1 8 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.520 1.013 25776 5876 1 8 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.162 1.510 25776 5877 1 8 . 1 1 95 95 LEU H H 95 9.485 9.485 9.192 0.293 25776 5878 1 8 . 1 1 96 96 LEU N N 96 123.444 123.444 124.194 -0.750 25776 5879 1 8 . 1 1 96 96 LEU C C 96 174.997 174.997 176.581 -1.584 25776 5880 1 8 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.005 1.308 25776 5881 1 8 . 1 1 96 96 LEU CB C 96 45.148 45.148 42.762 2.386 25776 5882 1 8 . 1 1 96 96 LEU H H 96 8.836 8.836 8.976 -0.140 25776 5883 1 8 . 1 1 97 97 GLN N N 97 121.545 121.545 120.087 1.458 25776 5884 1 8 . 1 1 97 97 GLN C C 97 174.324 174.324 174.394 -0.070 25776 5885 1 8 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.331 1.057 25776 5886 1 8 . 1 1 97 97 GLN CB C 97 37.524 37.524 32.326 5.198 25776 5887 1 8 . 1 1 97 97 GLN H H 97 9.566 9.566 9.025 0.541 25776 5888 1 8 . 1 1 98 98 TYR N N 98 122.246 122.246 121.896 0.350 25776 5889 1 8 . 1 1 98 98 TYR C C 98 173.409 173.409 174.992 -1.583 25776 5890 1 8 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.254 -0.599 25776 5891 1 8 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.361 0.847 25776 5892 1 8 . 1 1 98 98 TYR H H 98 9.053 9.053 8.878 0.175 25776 5893 1 8 . 1 1 99 99 TYR N N 99 126.872 126.872 121.967 4.905 25776 5894 1 8 . 1 1 99 99 TYR C C 99 175.310 175.310 173.564 1.746 25776 5895 1 8 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.359 0.397 25776 5896 1 8 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.764 0.871 25776 5897 1 8 . 1 1 99 99 TYR H H 99 8.344 8.344 7.719 0.625 25776 5898 1 8 . 1 1 100 100 PRO C C 100 178.304 178.304 177.077 1.227 25776 5899 1 8 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.218 1.192 25776 5900 1 8 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.513 0.594 25776 5901 1 8 . 1 1 101 101 MET N N 101 114.703 114.703 116.752 -2.049 25776 5902 1 8 . 1 1 101 101 MET C C 101 178.218 178.218 176.496 1.722 25776 5903 1 8 . 1 1 101 101 MET CA C 101 54.147 54.147 55.201 -1.054 25776 5904 1 8 . 1 1 101 101 MET CB C 101 30.956 30.956 34.380 -3.424 25776 5905 1 8 . 1 1 101 101 MET H H 101 9.432 9.432 8.131 1.301 25776 5906 1 8 . 1 1 102 102 GLY N N 102 117.671 117.671 108.162 9.509 25776 5907 1 8 . 1 1 102 102 GLY C C 102 175.611 175.611 174.357 1.254 25776 5908 1 8 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.994 2.458 25776 5909 1 8 . 1 1 102 102 GLY H H 102 8.671 8.671 8.212 0.459 25776 5910 1 8 . 1 1 103 103 GLY N N 103 111.298 111.298 110.475 0.823 25776 5911 1 8 . 1 1 103 103 GLY C C 103 174.054 174.054 174.107 -0.053 25776 5912 1 8 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.928 1.892 25776 5913 1 8 . 1 1 103 103 GLY H H 103 9.436 9.436 8.697 0.739 25776 5914 1 8 . 1 1 104 104 THR N N 104 109.330 109.330 112.552 -3.222 25776 5915 1 8 . 1 1 104 104 THR C C 104 174.248 174.248 174.062 0.186 25776 5916 1 8 . 1 1 104 104 THR CA C 104 61.454 61.454 60.108 1.346 25776 5917 1 8 . 1 1 104 104 THR CB C 104 72.711 72.711 70.214 2.497 25776 5918 1 8 . 1 1 104 104 THR H H 104 7.321 7.321 7.663 -0.342 25776 5919 1 8 . 1 1 105 105 ASN C C 105 175.032 175.032 175.152 -0.120 25776 5920 1 8 . 1 1 105 105 ASN CA C 105 53.413 53.413 52.942 0.471 25776 5921 1 8 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.392 0.451 25776 5922 1 8 . 1 1 106 106 SER N N 106 113.116 113.116 111.263 1.853 25776 5923 1 8 . 1 1 106 106 SER C C 106 175.961 175.961 173.916 2.045 25776 5924 1 8 . 1 1 106 106 SER CA C 106 59.289 59.289 59.385 -0.096 25776 5925 1 8 . 1 1 106 106 SER CB C 106 65.208 65.208 61.877 3.331 25776 5926 1 8 . 1 1 106 106 SER H H 106 7.487 7.487 8.174 -0.687 25776 5927 1 8 . 1 1 107 107 ALA N N 107 132.317 132.317 122.094 10.223 25776 5928 1 8 . 1 1 107 107 ALA C C 107 176.554 176.554 176.938 -0.384 25776 5929 1 8 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.472 2.527 25776 5930 1 8 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.207 0.323 25776 5931 1 8 . 1 1 107 107 ALA H H 107 8.891 8.891 7.785 1.106 25776 5932 1 8 . 1 1 108 108 PHE N N 108 116.265 116.265 117.069 -0.804 25776 5933 1 8 . 1 1 108 108 PHE C C 108 174.254 174.254 175.056 -0.802 25776 5934 1 8 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.745 -0.081 25776 5935 1 8 . 1 1 108 108 PHE CB C 108 41.235 41.235 41.084 0.151 25776 5936 1 8 . 1 1 108 108 PHE H H 108 7.592 7.592 7.417 0.175 25776 5937 1 8 . 1 1 109 109 GLN N N 109 128.401 128.401 122.074 6.327 25776 5938 1 8 . 1 1 109 109 GLN C C 109 172.298 172.298 174.105 -1.807 25776 5939 1 8 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.926 0.011 25776 5940 1 8 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.431 0.549 25776 5941 1 8 . 1 1 109 109 GLN H H 109 9.095 9.095 8.441 0.654 25776 5942 1 8 . 1 1 110 110 PRO C C 110 175.005 175.005 175.642 -0.637 25776 5943 1 8 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.446 -0.222 25776 5944 1 8 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.555 1.574 25776 5945 1 8 . 1 1 111 111 TYR N N 111 115.731 115.731 114.768 0.963 25776 5946 1 8 . 1 1 111 111 TYR C C 111 173.783 173.783 173.304 0.479 25776 5947 1 8 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.586 0.486 25776 5948 1 8 . 1 1 111 111 TYR CB C 111 39.435 39.435 39.993 -0.558 25776 5949 1 8 . 1 1 111 111 TYR H H 111 8.510 8.510 7.551 0.959 25776 5950 1 8 . 1 1 112 112 GLY N N 112 103.737 103.737 107.419 -3.682 25776 5951 1 8 . 1 1 112 112 GLY C C 112 172.014 172.014 172.723 -0.709 25776 5952 1 8 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.179 0.465 25776 5953 1 8 . 1 1 112 112 GLY H H 112 8.149 8.149 8.534 -0.385 25776 5954 1 8 . 1 1 113 113 GLY N N 113 108.372 108.372 109.980 -1.608 25776 5955 1 8 . 1 1 113 113 GLY C C 113 171.486 171.486 171.849 -0.363 25776 5956 1 8 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.754 1.086 25776 5957 1 8 . 1 1 113 113 GLY H H 113 9.028 9.028 8.743 0.285 25776 5958 1 8 . 1 1 114 114 LEU N N 114 120.469 120.469 118.436 2.033 25776 5959 1 8 . 1 1 114 114 LEU C C 114 175.878 175.878 175.737 0.141 25776 5960 1 8 . 1 1 114 114 LEU CA C 114 54.611 54.611 54.430 0.181 25776 5961 1 8 . 1 1 114 114 LEU CB C 114 48.977 48.977 47.052 1.925 25776 5962 1 8 . 1 1 114 114 LEU H H 114 8.741 8.741 7.643 1.098 25776 5963 1 8 . 1 1 115 115 GLY N N 115 111.145 111.145 106.313 4.832 25776 5964 1 8 . 1 1 115 115 GLY C C 115 171.336 171.336 172.253 -0.917 25776 5965 1 8 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.589 2.266 25776 5966 1 8 . 1 1 115 115 GLY H H 115 8.952 8.952 8.756 0.196 25776 5967 1 8 . 1 1 116 116 VAL N N 116 118.641 118.641 118.929 -0.288 25776 5968 1 8 . 1 1 116 116 VAL C C 116 172.617 172.617 173.664 -1.047 25776 5969 1 8 . 1 1 116 116 VAL CA C 116 60.716 60.716 60.223 0.493 25776 5970 1 8 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.683 2.689 25776 5971 1 8 . 1 1 116 116 VAL H H 116 8.844 8.844 7.684 1.160 25776 5972 1 8 . 1 1 117 117 ASN N N 117 123.839 123.839 123.029 0.810 25776 5973 1 8 . 1 1 117 117 ASN C C 117 171.105 171.105 173.542 -2.437 25776 5974 1 8 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.667 1.275 25776 5975 1 8 . 1 1 117 117 ASN CB C 117 44.578 44.578 40.594 3.984 25776 5976 1 8 . 1 1 117 117 ASN H H 117 9.647 9.647 8.116 1.531 25776 5977 1 8 . 1 1 118 118 TYR N N 118 125.160 125.160 125.938 -0.778 25776 5978 1 8 . 1 1 118 118 TYR C C 118 174.349 174.349 174.476 -0.127 25776 5979 1 8 . 1 1 118 118 TYR CA C 118 56.557 56.557 56.548 0.009 25776 5980 1 8 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.853 -0.289 25776 5981 1 8 . 1 1 118 118 TYR H H 118 8.989 8.989 8.090 0.899 25776 5982 1 8 . 1 1 119 119 THR N N 119 124.319 124.319 118.999 5.320 25776 5983 1 8 . 1 1 119 119 THR C C 119 171.231 171.231 173.337 -2.106 25776 5984 1 8 . 1 1 119 119 THR CA C 119 62.951 62.951 60.922 2.029 25776 5985 1 8 . 1 1 119 119 THR CB C 119 72.427 72.427 71.004 1.423 25776 5986 1 8 . 1 1 119 119 THR H H 119 8.806 8.806 8.035 0.771 25776 5987 1 8 . 1 1 120 120 THR N N 120 119.978 119.978 119.238 0.740 25776 5988 1 8 . 1 1 120 120 THR C C 120 171.174 171.174 173.560 -2.386 25776 5989 1 8 . 1 1 120 120 THR CA C 120 59.197 59.197 61.389 -2.192 25776 5990 1 8 . 1 1 120 120 THR CB C 120 72.088 72.088 69.962 2.126 25776 5991 1 8 . 1 1 120 120 THR H H 120 7.559 7.559 8.376 -0.817 25776 5992 1 8 . 1 1 121 121 PHE C C 121 175.289 175.289 174.046 1.243 25776 5993 1 8 . 1 1 121 121 PHE CB C 121 44.369 44.369 42.540 1.829 25776 5994 1 8 . 1 1 122 122 PHE N N 122 117.578 117.578 121.316 -3.738 25776 5995 1 8 . 1 1 122 122 PHE C C 122 172.555 172.555 176.000 -3.445 25776 5996 1 8 . 1 1 122 122 PHE CA C 122 56.884 56.884 59.855 -2.971 25776 5997 1 8 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.767 0.464 25776 5998 1 8 . 1 1 122 122 PHE H H 122 8.541 8.541 8.637 -0.096 25776 5999 1 8 . 1 1 123 123 ASP N N 123 116.448 116.448 117.748 -1.300 25776 6000 1 8 . 1 1 123 123 ASP C C 123 175.240 175.240 175.893 -0.653 25776 6001 1 8 . 1 1 123 123 ASP CA C 123 55.834 55.834 55.512 0.322 25776 6002 1 8 . 1 1 123 123 ASP CB C 123 39.844 39.844 40.041 -0.196 25776 6003 1 8 . 1 1 123 123 ASP H H 123 8.940 8.940 8.439 0.501 25776 6004 1 8 . 1 1 124 124 GLU C C 124 177.545 177.545 176.626 0.919 25776 6005 1 8 . 1 1 124 124 GLU CA C 124 59.890 59.890 57.883 2.007 25776 6006 1 8 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.013 -0.555 25776 6007 1 8 . 1 1 125 125 ASP N N 125 126.424 126.424 118.670 7.754 25776 6008 1 8 . 1 1 125 125 ASP C C 125 176.191 176.191 176.492 -0.301 25776 6009 1 8 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.193 -1.182 25776 6010 1 8 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.313 2.236 25776 6011 1 8 . 1 1 125 125 ASP H H 125 9.100 9.100 8.147 0.953 25776 6012 1 8 . 1 1 126 126 LEU N N 126 127.990 127.990 120.837 7.153 25776 6013 1 8 . 1 1 126 126 LEU C C 126 175.808 175.808 174.875 0.933 25776 6014 1 8 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.415 1.853 25776 6015 1 8 . 1 1 126 126 LEU CB C 126 44.856 44.856 44.723 0.133 25776 6016 1 8 . 1 1 126 126 LEU H H 126 8.570 8.570 7.685 0.885 25776 6017 1 8 . 1 1 127 127 ALA N N 127 124.126 124.126 126.503 -2.377 25776 6018 1 8 . 1 1 127 127 ALA C C 127 179.833 179.833 177.075 2.758 25776 6019 1 8 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.574 1.147 25776 6020 1 8 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.636 0.423 25776 6021 1 8 . 1 1 127 127 ALA H H 127 7.885 7.885 8.398 -0.513 25776 6022 1 8 . 1 1 129 129 ASN C C 129 176.927 176.927 176.070 0.857 25776 6023 1 8 . 1 1 129 129 ASN CB C 129 37.473 37.473 37.748 -0.275 25776 6024 1 8 . 1 1 130 130 ARG N N 130 117.748 117.748 124.249 -6.501 25776 6025 1 8 . 1 1 130 130 ARG C C 130 179.430 179.430 177.152 2.278 25776 6026 1 8 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.239 -1.396 25776 6027 1 8 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.089 0.237 25776 6028 1 8 . 1 1 130 130 ARG H H 130 7.435 7.435 8.521 -1.086 25776 6029 1 8 . 1 1 131 131 LYS N N 131 122.261 122.261 122.233 0.028 25776 6030 1 8 . 1 1 131 131 LYS C C 131 180.937 180.937 177.879 3.058 25776 6031 1 8 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.824 1.637 25776 6032 1 8 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.694 1.217 25776 6033 1 8 . 1 1 131 131 LYS H H 131 7.945 7.945 8.381 -0.436 25776 6034 1 8 . 1 1 132 132 ALA N N 132 122.083 122.083 119.917 2.166 25776 6035 1 8 . 1 1 132 132 ALA C C 132 178.748 178.748 179.326 -0.578 25776 6036 1 8 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.108 1.261 25776 6037 1 8 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.238 0.890 25776 6038 1 8 . 1 1 132 132 ALA H H 132 7.770 7.770 7.909 -0.139 25776 6039 1 8 . 1 1 133 133 GLN N N 133 116.102 116.102 118.352 -2.250 25776 6040 1 8 . 1 1 133 133 GLN C C 133 175.525 175.525 177.059 -1.534 25776 6041 1 8 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.784 0.314 25776 6042 1 8 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.538 0.817 25776 6043 1 8 . 1 1 133 133 GLN H H 133 7.302 7.302 7.652 -0.350 25776 6044 1 8 . 1 1 134 134 GLY N N 134 104.444 104.444 106.668 -2.224 25776 6045 1 8 . 1 1 134 134 GLY C C 134 174.460 174.460 173.943 0.517 25776 6046 1 8 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.605 1.276 25776 6047 1 8 . 1 1 134 134 GLY H H 134 7.596 7.596 7.755 -0.159 25776 6048 1 8 . 1 1 135 135 PHE N N 135 119.775 119.775 121.216 -1.441 25776 6049 1 8 . 1 1 135 135 PHE C C 135 174.922 174.922 175.577 -0.655 25776 6050 1 8 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.061 2.833 25776 6051 1 8 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.452 0.839 25776 6052 1 8 . 1 1 135 135 PHE H H 135 7.737 7.737 7.782 -0.045 25776 6053 1 8 . 1 1 136 136 SER N N 136 115.673 115.673 120.791 -5.118 25776 6054 1 8 . 1 1 136 136 SER C C 136 174.415 174.415 174.937 -0.522 25776 6055 1 8 . 1 1 136 136 SER CA C 136 59.679 59.679 59.939 -0.260 25776 6056 1 8 . 1 1 136 136 SER CB C 136 66.246 66.246 63.664 2.582 25776 6057 1 8 . 1 1 136 136 SER H H 136 8.862 8.862 8.830 0.032 25776 6058 1 8 . 1 1 137 137 SER N N 137 114.341 114.341 114.770 -0.429 25776 6059 1 8 . 1 1 137 137 SER C C 137 172.164 172.164 174.091 -1.927 25776 6060 1 8 . 1 1 137 137 SER CA C 137 58.955 58.955 58.056 0.899 25776 6061 1 8 . 1 1 137 137 SER CB C 137 65.592 65.592 63.370 2.222 25776 6062 1 8 . 1 1 137 137 SER H H 137 7.912 7.912 8.034 -0.122 25776 6063 1 8 . 1 1 138 138 MET N N 138 120.555 120.555 120.069 0.486 25776 6064 1 8 . 1 1 138 138 MET C C 138 173.189 173.189 175.026 -1.837 25776 6065 1 8 . 1 1 138 138 MET CA C 138 55.879 55.879 55.397 0.482 25776 6066 1 8 . 1 1 138 138 MET CB C 138 36.962 36.962 33.020 3.942 25776 6067 1 8 . 1 1 138 138 MET H H 138 8.461 8.461 8.266 0.195 25776 6068 1 8 . 1 1 141 141 GLN C C 141 176.182 176.182 175.088 1.094 25776 6069 1 8 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.904 2.531 25776 6070 1 8 . 1 1 142 142 ASP N N 142 124.414 124.414 119.492 4.922 25776 6071 1 8 . 1 1 142 142 ASP C C 142 175.702 175.702 174.471 1.231 25776 6072 1 8 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.132 2.175 25776 6073 1 8 . 1 1 142 142 ASP CB C 142 41.738 41.738 40.982 0.756 25776 6074 1 8 . 1 1 142 142 ASP H H 142 8.728 8.728 8.640 0.088 25776 6075 1 8 . 1 1 143 143 SER N N 143 114.920 114.920 114.635 0.285 25776 6076 1 8 . 1 1 143 143 SER C C 143 172.289 172.289 173.054 -0.765 25776 6077 1 8 . 1 1 143 143 SER CA C 143 57.652 57.652 58.183 -0.531 25776 6078 1 8 . 1 1 143 143 SER CB C 143 66.215 66.215 65.188 1.028 25776 6079 1 8 . 1 1 143 143 SER H H 143 8.703 8.703 7.910 0.793 25776 6080 1 8 . 1 1 144 144 TRP N N 144 126.444 126.444 122.752 3.692 25776 6081 1 8 . 1 1 144 144 TRP C C 144 177.307 177.307 174.155 3.152 25776 6082 1 8 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.411 0.464 25776 6083 1 8 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.981 2.383 25776 6084 1 8 . 1 1 144 144 TRP H H 144 8.101 8.101 7.571 0.530 25776 6085 1 8 . 1 1 145 145 GLY N N 145 108.757 108.757 109.184 -0.427 25776 6086 1 8 . 1 1 145 145 GLY C C 145 171.985 171.985 172.718 -0.733 25776 6087 1 8 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.492 2.056 25776 6088 1 8 . 1 1 145 145 GLY H H 145 8.889 8.889 8.011 0.878 25776 6089 1 8 . 1 1 146 146 LEU N N 146 121.579 121.579 122.597 -1.018 25776 6090 1 8 . 1 1 146 146 LEU C C 146 174.909 174.909 176.462 -1.553 25776 6091 1 8 . 1 1 146 146 LEU CA C 146 56.175 56.175 56.539 -0.364 25776 6092 1 8 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.560 2.603 25776 6093 1 8 . 1 1 146 146 LEU H H 146 9.035 9.035 8.529 0.506 25776 6094 1 8 . 1 1 147 147 ALA N N 147 121.342 121.342 126.728 -5.386 25776 6095 1 8 . 1 1 147 147 ALA C C 147 175.588 175.588 176.043 -0.455 25776 6096 1 8 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.838 1.096 25776 6097 1 8 . 1 1 147 147 ALA CB C 147 25.105 25.105 23.198 1.907 25776 6098 1 8 . 1 1 147 147 ALA H H 147 8.123 8.123 8.900 -0.777 25776 6099 1 8 . 1 1 148 148 GLY N N 148 106.598 106.598 105.716 0.882 25776 6100 1 8 . 1 1 148 148 GLY C C 148 171.829 171.829 171.775 0.054 25776 6101 1 8 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.559 0.189 25776 6102 1 8 . 1 1 148 148 GLY H H 148 9.216 9.216 8.350 0.866 25776 6103 1 8 . 1 1 149 149 GLU N N 149 122.775 122.775 122.189 0.586 25776 6104 1 8 . 1 1 149 149 GLU C C 149 174.078 174.078 174.423 -0.345 25776 6105 1 8 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.487 0.315 25776 6106 1 8 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.319 4.096 25776 6107 1 8 . 1 1 149 149 GLU H H 149 8.493 8.493 8.529 -0.036 25776 6108 1 8 . 1 1 150 150 LEU N N 150 126.310 126.310 126.056 0.254 25776 6109 1 8 . 1 1 150 150 LEU C C 150 174.309 174.309 174.685 -0.376 25776 6110 1 8 . 1 1 150 150 LEU CA C 150 54.942 54.942 53.869 1.073 25776 6111 1 8 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.848 2.643 25776 6112 1 8 . 1 1 150 150 LEU H H 150 8.580 8.580 8.117 0.463 25776 6113 1 8 . 1 1 151 151 GLY N N 151 109.909 109.909 110.879 -0.970 25776 6114 1 8 . 1 1 151 151 GLY C C 151 170.538 170.538 171.271 -0.733 25776 6115 1 8 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.557 1.063 25776 6116 1 8 . 1 1 151 151 GLY H H 151 8.115 8.115 8.042 0.073 25776 6117 1 8 . 1 1 152 152 PHE N N 152 111.012 111.012 116.432 -5.420 25776 6118 1 8 . 1 1 152 152 PHE C C 152 171.455 171.455 173.508 -2.053 25776 6119 1 8 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.687 2.025 25776 6120 1 8 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.516 -0.021 25776 6121 1 8 . 1 1 152 152 PHE H H 152 8.365 8.365 8.428 -0.063 25776 6122 1 8 . 1 1 153 153 ASP N N 153 119.057 119.057 121.110 -2.053 25776 6123 1 8 . 1 1 153 153 ASP C C 153 176.522 176.522 175.253 1.269 25776 6124 1 8 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.881 -0.415 25776 6125 1 8 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.072 2.026 25776 6126 1 8 . 1 1 153 153 ASP H H 153 8.014 8.014 8.609 -0.595 25776 6127 1 8 . 1 1 154 154 TYR N N 154 123.640 123.640 126.417 -2.777 25776 6128 1 8 . 1 1 154 154 TYR C C 154 175.593 175.593 174.164 1.429 25776 6129 1 8 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.626 1.262 25776 6130 1 8 . 1 1 154 154 TYR CB C 154 42.822 42.822 39.864 2.958 25776 6131 1 8 . 1 1 154 154 TYR H H 154 9.744 9.744 8.250 1.494 25776 6132 1 8 . 1 1 155 155 MET N N 155 126.409 126.409 121.774 4.635 25776 6133 1 8 . 1 1 155 155 MET C C 155 174.938 174.938 174.813 0.125 25776 6134 1 8 . 1 1 155 155 MET CA C 155 55.410 55.410 55.121 0.289 25776 6135 1 8 . 1 1 155 155 MET CB C 155 29.170 29.170 33.553 -4.383 25776 6136 1 8 . 1 1 155 155 MET H H 155 8.659 8.659 8.245 0.414 25776 6137 1 8 . 1 1 156 156 LEU N N 156 125.396 125.396 121.844 3.552 25776 6138 1 8 . 1 1 156 156 LEU C C 156 177.567 177.567 177.256 0.311 25776 6139 1 8 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.312 1.261 25776 6140 1 8 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.844 1.068 25776 6141 1 8 . 1 1 156 156 LEU H H 156 9.232 9.232 8.412 0.820 25776 6142 1 8 . 1 1 157 157 ASN N N 157 114.903 114.903 114.524 0.379 25776 6143 1 8 . 1 1 157 157 ASN C C 157 173.568 173.568 175.730 -2.162 25776 6144 1 8 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.077 -1.885 25776 6145 1 8 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.361 1.550 25776 6146 1 8 . 1 1 157 157 ASN H H 157 8.099 8.099 8.114 -0.015 25776 6147 1 8 . 1 1 158 158 GLU N N 158 114.724 114.724 118.581 -3.857 25776 6148 1 8 . 1 1 158 158 GLU C C 158 176.032 176.032 177.629 -1.597 25776 6149 1 8 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.163 2.514 25776 6150 1 8 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.259 0.255 25776 6151 1 8 . 1 1 158 158 GLU H H 158 8.625 8.625 8.559 0.066 25776 6152 1 8 . 1 1 159 159 HIS N N 159 111.022 111.022 115.520 -4.498 25776 6153 1 8 . 1 1 159 159 HIS C C 159 173.158 173.158 173.990 -0.832 25776 6154 1 8 . 1 1 159 159 HIS CA C 159 57.436 57.436 57.361 0.075 25776 6155 1 8 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.013 1.379 25776 6156 1 8 . 1 1 159 159 HIS H H 159 8.201 8.201 8.216 -0.015 25776 6157 1 8 . 1 1 160 160 ALA N N 160 122.967 122.967 119.645 3.322 25776 6158 1 8 . 1 1 160 160 ALA C C 160 176.212 176.212 174.655 1.557 25776 6159 1 8 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.677 0.645 25776 6160 1 8 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.749 1.677 25776 6161 1 8 . 1 1 160 160 ALA H H 160 8.389 8.389 7.545 0.844 25776 6162 1 8 . 1 1 161 161 LEU N N 161 116.648 116.648 115.728 0.920 25776 6163 1 8 . 1 1 161 161 LEU C C 161 174.922 174.922 175.319 -0.397 25776 6164 1 8 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.910 0.975 25776 6165 1 8 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.417 2.078 25776 6166 1 8 . 1 1 161 161 LEU H H 161 8.616 8.616 8.221 0.395 25776 6167 1 8 . 1 1 162 162 PHE N N 162 121.938 121.938 120.244 1.694 25776 6168 1 8 . 1 1 162 162 PHE C C 162 171.989 171.989 174.492 -2.503 25776 6169 1 8 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.338 0.680 25776 6170 1 8 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.396 1.693 25776 6171 1 8 . 1 1 162 162 PHE H H 162 9.221 9.221 8.462 0.759 25776 6172 1 8 . 1 1 163 163 ASN N N 163 127.932 127.932 124.619 3.313 25776 6173 1 8 . 1 1 163 163 ASN C C 163 171.357 171.357 173.283 -1.926 25776 6174 1 8 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.733 0.216 25776 6175 1 8 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.542 5.498 25776 6176 1 8 . 1 1 163 163 ASN H H 163 7.735 7.735 7.751 -0.016 25776 6177 1 8 . 1 1 164 164 MET N N 164 120.121 120.121 119.336 0.785 25776 6178 1 8 . 1 1 164 164 MET C C 164 172.837 172.837 173.864 -1.027 25776 6179 1 8 . 1 1 164 164 MET CA C 164 55.914 55.914 53.880 2.034 25776 6180 1 8 . 1 1 164 164 MET CB C 164 38.643 38.643 37.119 1.524 25776 6181 1 8 . 1 1 164 164 MET H H 164 7.092 7.092 8.129 -1.037 25776 6182 1 8 . 1 1 165 165 ALA N N 165 120.745 120.745 122.013 -1.268 25776 6183 1 8 . 1 1 165 165 ALA C C 165 174.047 174.047 174.263 -0.216 25776 6184 1 8 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.868 0.546 25776 6185 1 8 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.140 1.003 25776 6186 1 8 . 1 1 165 165 ALA H H 165 8.370 8.370 8.855 -0.485 25776 6187 1 8 . 1 1 166 166 VAL N N 166 118.385 118.385 118.383 0.002 25776 6188 1 8 . 1 1 166 166 VAL C C 166 172.556 172.556 174.664 -2.108 25776 6189 1 8 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.758 -2.130 25776 6190 1 8 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.156 2.971 25776 6191 1 8 . 1 1 166 166 VAL H H 166 8.723 8.723 8.593 0.130 25776 6192 1 8 . 1 1 167 167 TRP N N 167 123.258 123.258 130.473 -7.215 25776 6193 1 8 . 1 1 167 167 TRP C C 167 174.016 174.016 174.542 -0.526 25776 6194 1 8 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.910 1.694 25776 6195 1 8 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.411 1.248 25776 6196 1 8 . 1 1 167 167 TRP H H 167 9.312 9.312 8.070 1.242 25776 6197 1 8 . 1 1 168 168 TYR N N 168 121.455 121.455 124.053 -2.598 25776 6198 1 8 . 1 1 168 168 TYR C C 168 175.110 175.110 173.092 2.018 25776 6199 1 8 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.251 -0.065 25776 6200 1 8 . 1 1 168 168 TYR CB C 168 42.440 42.440 42.967 -0.527 25776 6201 1 8 . 1 1 168 168 TYR H H 168 8.398 8.398 7.584 0.814 25776 6202 1 8 . 1 1 169 169 MET N N 169 124.800 124.800 121.040 3.760 25776 6203 1 8 . 1 1 169 169 MET C C 169 172.688 172.688 174.539 -1.851 25776 6204 1 8 . 1 1 169 169 MET CA C 169 55.640 55.640 54.894 0.746 25776 6205 1 8 . 1 1 169 169 MET CB C 169 34.143 34.143 34.447 -0.304 25776 6206 1 8 . 1 1 169 169 MET H H 169 8.131 8.131 8.458 -0.327 25776 6207 1 8 . 1 1 170 170 ASP N N 170 122.780 122.780 125.397 -2.617 25776 6208 1 8 . 1 1 170 170 ASP C C 170 174.864 174.864 174.929 -0.065 25776 6209 1 8 . 1 1 170 170 ASP CA C 170 54.883 54.883 54.016 0.867 25776 6210 1 8 . 1 1 170 170 ASP CB C 170 41.678 41.678 43.494 -1.816 25776 6211 1 8 . 1 1 170 170 ASP H H 170 8.191 8.191 8.215 -0.024 25776 6212 1 8 . 1 1 171 171 ILE N N 171 127.252 127.252 123.397 3.855 25776 6213 1 8 . 1 1 171 171 ILE C C 171 174.476 174.476 175.940 -1.464 25776 6214 1 8 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.237 -0.294 25776 6215 1 8 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.398 1.123 25776 6216 1 8 . 1 1 171 171 ILE H H 171 7.805 7.805 8.264 -0.459 25776 6217 1 8 . 1 1 172 172 ASP N N 172 129.369 129.369 129.379 -0.010 25776 6218 1 8 . 1 1 172 172 ASP C C 172 174.520 174.520 175.121 -0.601 25776 6219 1 8 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.581 -0.780 25776 6220 1 8 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.014 2.075 25776 6221 1 8 . 1 1 172 172 ASP H H 172 8.541 8.541 8.714 -0.173 25776 6222 1 8 . 1 1 173 173 THR N N 173 118.920 118.920 119.682 -0.762 25776 6223 1 8 . 1 1 173 173 THR C C 173 172.170 172.170 173.588 -1.418 25776 6224 1 8 . 1 1 173 173 THR CA C 173 60.936 60.936 61.081 -0.145 25776 6225 1 8 . 1 1 173 173 THR CB C 173 70.002 70.002 70.736 -0.734 25776 6226 1 8 . 1 1 173 173 THR H H 173 8.814 8.814 7.920 0.894 25776 6227 1 8 . 1 1 176 176 SER C C 176 174.672 174.672 175.656 -0.984 25776 6228 1 8 . 1 1 176 176 SER CA C 176 58.834 58.834 59.499 -0.665 25776 6229 1 8 . 1 1 176 176 SER CB C 176 64.984 64.984 63.783 1.201 25776 6230 1 8 . 1 1 177 177 ILE N N 177 121.645 121.645 120.854 0.791 25776 6231 1 8 . 1 1 177 177 ILE C C 177 174.945 174.945 173.931 1.014 25776 6232 1 8 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.438 0.908 25776 6233 1 8 . 1 1 177 177 ILE CB C 177 40.139 40.139 37.378 2.761 25776 6234 1 8 . 1 1 177 177 ILE H H 177 7.993 7.993 8.204 -0.211 25776 6235 1 8 . 1 1 178 178 ASN N N 178 127.223 127.223 118.815 8.408 25776 6236 1 8 . 1 1 178 178 ASN C C 178 179.120 179.120 174.821 4.299 25776 6237 1 8 . 1 1 178 178 ASN CA C 178 55.663 55.663 54.342 1.321 25776 6238 1 8 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.736 3.183 25776 6239 1 8 . 1 1 178 178 ASN H H 178 7.882 7.882 7.826 0.056 25776 6240 1 8 . 1 1 182 182 ALA N N 182 124.095 124.095 126.013 -1.918 25776 6241 1 8 . 1 1 182 182 ALA C C 182 177.680 177.680 176.814 0.866 25776 6242 1 8 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.525 2.691 25776 6243 1 8 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.312 0.457 25776 6244 1 8 . 1 1 182 182 ALA H H 182 8.100 8.100 8.178 -0.078 25776 6245 1 8 . 1 1 183 183 LEU N N 183 118.394 118.394 120.594 -2.200 25776 6246 1 8 . 1 1 183 183 LEU C C 183 177.352 177.352 176.392 0.960 25776 6247 1 8 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.963 0.864 25776 6248 1 8 . 1 1 183 183 LEU CB C 183 43.184 43.184 41.391 1.793 25776 6249 1 8 . 1 1 183 183 LEU H H 183 7.854 7.854 7.813 0.041 25776 6250 1 8 . 1 1 184 184 GLY N N 184 107.897 107.897 110.088 -2.191 25776 6251 1 8 . 1 1 184 184 GLY C C 184 174.288 174.288 175.197 -0.909 25776 6252 1 8 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.428 1.248 25776 6253 1 8 . 1 1 184 184 GLY H H 184 7.883 7.883 8.694 -0.811 25776 6254 1 8 . 1 1 185 185 VAL N N 185 118.254 118.254 118.796 -0.542 25776 6255 1 8 . 1 1 185 185 VAL C C 185 175.475 175.475 175.824 -0.349 25776 6256 1 8 . 1 1 185 185 VAL CA C 185 63.048 63.048 64.313 -1.265 25776 6257 1 8 . 1 1 185 185 VAL CB C 185 33.471 33.471 31.407 2.064 25776 6258 1 8 . 1 1 185 185 VAL H H 185 7.676 7.676 8.183 -0.507 25776 6259 1 8 . 1 1 186 186 ASN N N 186 121.756 121.756 118.458 3.298 25776 6260 1 8 . 1 1 186 186 ASN C C 186 174.724 174.724 174.568 0.156 25776 6261 1 8 . 1 1 186 186 ASN CA C 186 54.593 54.593 52.906 1.687 25776 6262 1 8 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.828 0.070 25776 6263 1 8 . 1 1 186 186 ASN H H 186 8.331 8.331 7.994 0.337 25776 6264 1 8 . 1 1 187 187 LYS N N 187 120.959 120.959 116.854 4.105 25776 6265 1 8 . 1 1 187 187 LYS C C 187 174.652 174.652 175.756 -1.104 25776 6266 1 8 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.665 0.533 25776 6267 1 8 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.275 -0.232 25776 6268 1 8 . 1 1 187 187 LYS H H 187 8.031 8.031 8.374 -0.343 25776 6269 1 8 . 1 1 189 189 LYS C C 189 176.088 176.088 176.684 -0.596 25776 6270 1 8 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.805 0.637 25776 6271 1 8 . 1 1 190 190 VAL N N 190 121.122 121.122 118.114 3.008 25776 6272 1 8 . 1 1 190 190 VAL C C 190 175.545 175.545 174.864 0.681 25776 6273 1 8 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.504 1.617 25776 6274 1 8 . 1 1 190 190 VAL CB C 190 33.948 33.948 33.000 0.948 25776 6275 1 8 . 1 1 190 190 VAL H H 190 8.067 8.067 7.523 0.544 25776 6276 1 8 . 1 1 191 191 ASP N N 191 124.022 124.022 127.171 -3.149 25776 6277 1 8 . 1 1 191 191 ASP C C 191 175.710 175.710 175.423 0.287 25776 6278 1 8 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.934 1.335 25776 6279 1 8 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.706 0.272 25776 6280 1 8 . 1 1 191 191 ASP H H 191 8.282 8.282 8.560 -0.278 25776 6281 1 8 . 1 1 192 192 VAL N N 192 118.928 118.928 123.991 -5.063 25776 6282 1 8 . 1 1 192 192 VAL C C 192 175.433 175.433 175.207 0.226 25776 6283 1 8 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.342 1.478 25776 6284 1 8 . 1 1 192 192 VAL CB C 192 34.105 34.105 34.146 -0.041 25776 6285 1 8 . 1 1 192 192 VAL H H 192 7.877 7.877 8.363 -0.486 25776 6286 1 8 . 1 1 193 193 ASP N N 193 124.364 124.364 126.001 -1.637 25776 6287 1 8 . 1 1 193 193 ASP C C 193 176.118 176.118 175.430 0.688 25776 6288 1 8 . 1 1 193 193 ASP CA C 193 55.211 55.211 53.996 1.215 25776 6289 1 8 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.772 0.261 25776 6290 1 8 . 1 1 193 193 ASP H H 193 8.335 8.335 8.363 -0.028 25776 6291 1 8 . 1 1 198 198 VAL N N 198 126.400 126.400 119.684 6.716 25776 6292 1 8 . 1 1 198 198 VAL C C 198 174.600 174.600 174.213 0.387 25776 6293 1 8 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.517 -1.077 25776 6294 1 8 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.545 2.555 25776 6295 1 8 . 1 1 198 198 VAL H H 198 8.474 8.474 8.265 0.209 25776 6296 1 8 . 1 1 199 199 TYR N N 199 123.900 123.900 123.670 0.230 25776 6297 1 8 . 1 1 199 199 TYR C C 199 173.600 173.600 174.080 -0.480 25776 6298 1 8 . 1 1 199 199 TYR CA C 199 55.510 55.510 55.618 -0.109 25776 6299 1 8 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.970 -0.340 25776 6300 1 8 . 1 1 199 199 TYR H H 199 8.748 8.748 7.681 1.067 25776 6301 1 8 . 1 1 200 200 MET N N 200 123.700 123.700 123.079 0.621 25776 6302 1 8 . 1 1 200 200 MET CA C 200 49.420 49.420 54.283 -4.863 25776 6303 1 8 . 1 1 200 200 MET H H 200 9.057 9.057 9.025 0.032 25776 6304 1 8 . 1 1 201 201 ILE C C 201 174.016 174.016 174.382 -0.366 25776 6305 1 8 . 1 1 201 201 ILE CA C 201 60.474 60.474 58.620 1.854 25776 6306 1 8 . 1 1 201 201 ILE CB C 201 42.435 42.435 42.131 0.304 25776 6307 1 8 . 1 1 202 202 GLY N N 202 113.215 113.215 107.971 5.244 25776 6308 1 8 . 1 1 202 202 GLY C C 202 170.124 170.124 171.832 -1.708 25776 6309 1 8 . 1 1 202 202 GLY CA C 202 47.560 47.560 45.159 2.401 25776 6310 1 8 . 1 1 202 202 GLY H H 202 8.646 8.646 7.842 0.804 25776 6311 1 8 . 1 1 203 203 PHE N N 203 116.782 116.782 117.292 -0.510 25776 6312 1 8 . 1 1 203 203 PHE C C 203 174.063 174.063 174.621 -0.558 25776 6313 1 8 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.468 -0.017 25776 6314 1 8 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.662 2.037 25776 6315 1 8 . 1 1 203 203 PHE H H 203 8.482 8.482 8.605 -0.123 25776 6316 1 8 . 1 1 204 204 GLY N N 204 105.936 105.936 105.462 0.474 25776 6317 1 8 . 1 1 204 204 GLY C C 204 171.097 171.097 171.533 -0.436 25776 6318 1 8 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.262 2.212 25776 6319 1 8 . 1 1 204 204 GLY H H 204 9.003 9.003 7.968 1.035 25776 6320 1 8 . 1 1 205 205 TYR N N 205 121.196 121.196 117.243 3.953 25776 6321 1 8 . 1 1 205 205 TYR C C 205 172.994 172.994 174.349 -1.355 25776 6322 1 8 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.651 1.035 25776 6323 1 8 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.371 2.819 25776 6324 1 8 . 1 1 205 205 TYR H H 205 9.413 9.413 9.234 0.179 25776 6325 1 8 . 1 1 206 206 LYS N N 206 126.788 126.788 123.565 3.223 25776 6326 1 8 . 1 1 206 206 LYS C C 206 174.161 174.161 175.585 -1.424 25776 6327 1 8 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.064 0.366 25776 6328 1 8 . 1 1 206 206 LYS CB C 206 35.425 35.425 35.251 0.174 25776 6329 1 8 . 1 1 206 206 LYS H H 206 8.364 8.364 8.600 -0.236 25776 6330 1 8 . 1 1 207 207 PHE N N 207 126.168 126.168 126.074 0.094 25776 6331 1 8 . 1 1 207 207 PHE C C 207 175.094 175.094 174.842 0.252 25776 6332 1 8 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.416 0.274 25776 6333 1 8 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.237 2.425 25776 6334 1 8 . 1 1 207 207 PHE H H 207 9.308 9.308 8.874 0.434 25776 6335 1 8 . 1 1 208 208 LEU N N 208 123.199 123.199 129.203 -6.004 25776 6336 1 8 . 1 1 208 208 LEU C C 208 176.580 176.580 175.671 0.909 25776 6337 1 8 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.428 1.043 25776 6338 1 8 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.219 1.494 25776 6339 1 8 . 1 1 208 208 LEU H H 208 8.376 8.376 8.135 0.241 25776 6340 1 8 . 1 1 209 209 GLU N N 209 121.960 121.960 123.571 -1.611 25776 6341 1 8 . 1 1 209 209 GLU C C 209 176.226 176.226 175.599 0.627 25776 6342 1 8 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.449 2.283 25776 6343 1 8 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.490 -0.037 25776 6344 1 8 . 1 1 209 209 GLU H H 209 8.500 8.500 8.506 -0.006 25776 6345 1 9 . 1 1 2 2 HIS C C 2 175.393 175.393 174.267 1.126 25776 6346 1 9 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.242 -1.438 25776 6347 1 9 . 1 1 2 2 HIS CB C 2 30.780 30.780 32.329 -1.549 25776 6348 1 9 . 1 1 3 3 LYS N N 3 121.908 121.908 120.007 1.901 25776 6349 1 9 . 1 1 3 3 LYS C C 3 173.475 173.475 174.517 -1.042 25776 6350 1 9 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.572 -0.544 25776 6351 1 9 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.530 -1.330 25776 6352 1 9 . 1 1 3 3 LYS H H 3 8.608 8.608 8.741 -0.133 25776 6353 1 9 . 1 1 4 4 ALA N N 4 120.771 120.771 122.433 -1.662 25776 6354 1 9 . 1 1 4 4 ALA C C 4 178.118 178.118 178.567 -0.449 25776 6355 1 9 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.853 0.586 25776 6356 1 9 . 1 1 4 4 ALA CB C 4 18.049 18.049 17.958 0.091 25776 6357 1 9 . 1 1 4 4 ALA H H 4 8.581 8.581 8.248 0.333 25776 6358 1 9 . 1 1 5 5 GLY N N 5 112.807 112.807 112.088 0.719 25776 6359 1 9 . 1 1 5 5 GLY C C 5 173.788 173.788 174.036 -0.248 25776 6360 1 9 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.588 0.232 25776 6361 1 9 . 1 1 5 5 GLY H H 5 9.170 9.170 8.325 0.845 25776 6362 1 9 . 1 1 6 6 ASP N N 6 121.504 121.504 121.551 -0.047 25776 6363 1 9 . 1 1 6 6 ASP C C 6 174.307 174.307 175.242 -0.935 25776 6364 1 9 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.265 0.553 25776 6365 1 9 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.365 0.210 25776 6366 1 9 . 1 1 6 6 ASP H H 6 7.619 7.619 7.484 0.135 25776 6367 1 9 . 1 1 7 7 PHE N N 7 121.212 121.212 123.339 -2.127 25776 6368 1 9 . 1 1 7 7 PHE C C 7 174.030 174.030 175.008 -0.978 25776 6369 1 9 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.298 -1.697 25776 6370 1 9 . 1 1 7 7 PHE CB C 7 43.076 43.076 38.768 4.308 25776 6371 1 9 . 1 1 7 7 PHE H H 7 8.285 8.285 8.891 -0.606 25776 6372 1 9 . 1 1 8 8 ILE N N 8 128.185 128.185 124.079 4.106 25776 6373 1 9 . 1 1 8 8 ILE C C 8 173.961 173.961 174.670 -0.709 25776 6374 1 9 . 1 1 8 8 ILE CA C 8 61.723 61.723 58.374 3.349 25776 6375 1 9 . 1 1 8 8 ILE CB C 8 43.669 43.669 39.418 4.251 25776 6376 1 9 . 1 1 8 8 ILE H H 8 9.245 9.245 8.586 0.659 25776 6377 1 9 . 1 1 9 9 ILE N N 9 125.624 125.624 122.116 3.508 25776 6378 1 9 . 1 1 9 9 ILE C C 9 173.731 173.731 174.503 -0.772 25776 6379 1 9 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.995 0.295 25776 6380 1 9 . 1 1 9 9 ILE CB C 9 42.091 42.091 38.814 3.277 25776 6381 1 9 . 1 1 9 9 ILE H H 9 8.628 8.628 8.620 0.008 25776 6382 1 9 . 1 1 10 10 ARG N N 10 125.025 125.025 126.115 -1.090 25776 6383 1 9 . 1 1 10 10 ARG C C 10 175.074 175.074 175.159 -0.085 25776 6384 1 9 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.477 0.017 25776 6385 1 9 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.455 -1.683 25776 6386 1 9 . 1 1 10 10 ARG H H 10 9.225 9.225 9.070 0.155 25776 6387 1 9 . 1 1 11 11 GLY N N 11 106.141 106.141 107.110 -0.969 25776 6388 1 9 . 1 1 11 11 GLY C C 11 171.959 171.959 171.988 -0.029 25776 6389 1 9 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.463 1.744 25776 6390 1 9 . 1 1 11 11 GLY H H 11 8.885 8.885 7.264 1.621 25776 6391 1 9 . 1 1 12 12 GLY N N 12 107.818 107.818 104.333 3.485 25776 6392 1 9 . 1 1 12 12 GLY C C 12 171.465 171.465 172.132 -0.667 25776 6393 1 9 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.126 2.188 25776 6394 1 9 . 1 1 12 12 GLY H H 12 8.433 8.433 7.103 1.330 25776 6395 1 9 . 1 1 13 13 PHE N N 13 120.233 120.233 119.265 0.968 25776 6396 1 9 . 1 1 13 13 PHE C C 13 174.056 174.056 175.757 -1.701 25776 6397 1 9 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.888 0.263 25776 6398 1 9 . 1 1 13 13 PHE CB C 13 41.625 41.625 40.961 0.665 25776 6399 1 9 . 1 1 13 13 PHE H H 13 8.606 8.606 7.843 0.763 25776 6400 1 9 . 1 1 18 18 PRO C C 18 176.552 176.552 176.271 0.281 25776 6401 1 9 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.824 1.267 25776 6402 1 9 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.546 1.103 25776 6403 1 9 . 1 1 19 19 ASP N N 19 121.094 121.094 120.728 0.366 25776 6404 1 9 . 1 1 19 19 ASP C C 19 176.047 176.047 177.004 -0.957 25776 6405 1 9 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.733 -0.459 25776 6406 1 9 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.051 0.992 25776 6407 1 9 . 1 1 19 19 ASP H H 19 8.372 8.372 8.508 -0.136 25776 6408 1 9 . 1 1 20 20 ASP N N 20 123.179 123.179 118.216 4.963 25776 6409 1 9 . 1 1 20 20 ASP C C 20 176.790 176.790 176.499 0.291 25776 6410 1 9 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.260 -0.165 25776 6411 1 9 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.091 0.743 25776 6412 1 9 . 1 1 20 20 ASP H H 20 8.357 8.357 8.275 0.082 25776 6413 1 9 . 1 1 21 21 SER N N 21 117.319 117.319 113.157 4.162 25776 6414 1 9 . 1 1 21 21 SER C C 21 175.218 175.218 173.706 1.512 25776 6415 1 9 . 1 1 21 21 SER CA C 21 60.134 60.134 57.337 2.797 25776 6416 1 9 . 1 1 21 21 SER CB C 21 64.701 64.701 64.308 0.393 25776 6417 1 9 . 1 1 21 21 SER H H 21 8.398 8.398 7.718 0.680 25776 6418 1 9 . 1 1 22 22 SER N N 22 117.994 117.994 122.056 -4.062 25776 6419 1 9 . 1 1 22 22 SER C C 22 174.877 174.877 174.252 0.625 25776 6420 1 9 . 1 1 22 22 SER CA C 22 59.839 59.839 59.073 0.766 25776 6421 1 9 . 1 1 22 22 SER CB C 22 64.669 64.669 64.232 0.437 25776 6422 1 9 . 1 1 22 22 SER H H 22 8.314 8.314 8.819 -0.505 25776 6423 1 9 . 1 1 23 23 SER N N 23 117.809 117.809 114.831 2.978 25776 6424 1 9 . 1 1 23 23 SER C C 23 174.298 174.298 173.121 1.177 25776 6425 1 9 . 1 1 23 23 SER CA C 23 59.629 59.629 58.219 1.410 25776 6426 1 9 . 1 1 23 23 SER CB C 23 64.802 64.802 64.118 0.684 25776 6427 1 9 . 1 1 23 23 SER H H 23 8.143 8.143 8.120 0.023 25776 6428 1 9 . 1 1 24 24 ASP N N 24 122.829 122.829 123.630 -0.801 25776 6429 1 9 . 1 1 24 24 ASP C C 24 176.250 176.250 176.574 -0.324 25776 6430 1 9 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.604 0.889 25776 6431 1 9 . 1 1 24 24 ASP CB C 24 41.841 41.841 40.734 1.107 25776 6432 1 9 . 1 1 24 24 ASP H H 24 8.234 8.234 8.265 -0.031 25776 6433 1 9 . 1 1 25 25 ILE N N 25 120.717 120.717 118.160 2.557 25776 6434 1 9 . 1 1 25 25 ILE C C 25 176.204 176.204 175.753 0.451 25776 6435 1 9 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.655 0.901 25776 6436 1 9 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.906 0.762 25776 6437 1 9 . 1 1 25 25 ILE H H 25 7.884 7.884 8.077 -0.193 25776 6438 1 9 . 1 1 26 26 LYS N N 26 124.527 124.527 120.601 3.926 25776 6439 1 9 . 1 1 26 26 LYS C C 26 176.616 176.616 175.494 1.122 25776 6440 1 9 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.749 1.443 25776 6441 1 9 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.981 -0.172 25776 6442 1 9 . 1 1 26 26 LYS H H 26 8.164 8.164 7.683 0.481 25776 6443 1 9 . 1 1 27 27 LEU N N 27 123.292 123.292 124.491 -1.199 25776 6444 1 9 . 1 1 27 27 LEU C C 27 177.077 177.077 175.769 1.308 25776 6445 1 9 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.254 0.919 25776 6446 1 9 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.413 0.904 25776 6447 1 9 . 1 1 27 27 LEU H H 27 8.100 8.100 8.464 -0.364 25776 6448 1 9 . 1 1 28 28 ASP N N 28 121.059 121.059 120.254 0.805 25776 6449 1 9 . 1 1 28 28 ASP C C 28 176.929 176.929 175.047 1.882 25776 6450 1 9 . 1 1 28 28 ASP CA C 28 55.348 55.348 55.030 0.318 25776 6451 1 9 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.491 0.584 25776 6452 1 9 . 1 1 28 28 ASP H H 28 8.209 8.209 8.438 -0.229 25776 6453 1 9 . 1 1 29 29 GLY N N 29 110.032 110.032 108.045 1.987 25776 6454 1 9 . 1 1 29 29 GLY C C 29 174.364 174.364 173.033 1.331 25776 6455 1 9 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.246 1.632 25776 6456 1 9 . 1 1 29 29 GLY H H 29 8.274 8.274 8.190 0.084 25776 6457 1 9 . 1 1 30 30 ALA N N 30 124.102 124.102 123.918 0.184 25776 6458 1 9 . 1 1 30 30 ALA C C 30 178.005 178.005 177.042 0.963 25776 6459 1 9 . 1 1 30 30 ALA CA C 30 53.824 53.824 53.092 0.733 25776 6460 1 9 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.120 1.007 25776 6461 1 9 . 1 1 30 30 ALA H H 30 8.085 8.085 8.148 -0.063 25776 6462 1 9 . 1 1 31 31 LYS N N 31 119.810 119.810 123.879 -4.069 25776 6463 1 9 . 1 1 31 31 LYS C C 31 176.650 176.650 177.166 -0.516 25776 6464 1 9 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.660 0.812 25776 6465 1 9 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.349 0.599 25776 6466 1 9 . 1 1 31 31 LYS H H 31 8.075 8.075 8.656 -0.581 25776 6467 1 9 . 1 1 32 32 GLN N N 32 121.045 121.045 118.499 2.546 25776 6468 1 9 . 1 1 32 32 GLN C C 32 175.862 175.862 175.542 0.320 25776 6469 1 9 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.998 0.941 25776 6470 1 9 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.618 0.576 25776 6471 1 9 . 1 1 32 32 GLN H H 32 8.182 8.182 8.253 -0.071 25776 6472 1 9 . 1 1 33 33 ARG N N 33 122.683 122.683 122.001 0.682 25776 6473 1 9 . 1 1 33 33 ARG C C 33 176.492 176.492 175.178 1.314 25776 6474 1 9 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.624 0.458 25776 6475 1 9 . 1 1 33 33 ARG CB C 33 31.952 31.952 29.953 2.000 25776 6476 1 9 . 1 1 33 33 ARG H H 33 8.288 8.288 8.205 0.083 25776 6477 1 9 . 1 1 36 36 LYS C C 36 176.028 176.028 174.812 1.216 25776 6478 1 9 . 1 1 36 36 LYS CA C 36 57.223 57.223 55.789 1.434 25776 6479 1 9 . 1 1 36 36 LYS CB C 36 34.262 34.262 34.367 -0.105 25776 6480 1 9 . 1 1 37 37 ALA N N 37 125.793 125.793 122.564 3.229 25776 6481 1 9 . 1 1 37 37 ALA C C 37 177.567 177.567 177.098 0.469 25776 6482 1 9 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.711 1.857 25776 6483 1 9 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.981 0.427 25776 6484 1 9 . 1 1 37 37 ALA H H 37 8.329 8.329 8.181 0.148 25776 6485 1 9 . 1 1 38 38 THR N N 38 113.398 113.398 115.388 -1.990 25776 6486 1 9 . 1 1 38 38 THR C C 38 174.556 174.556 175.031 -0.475 25776 6487 1 9 . 1 1 38 38 THR CA C 38 62.551 62.551 61.776 0.775 25776 6488 1 9 . 1 1 38 38 THR CB C 38 71.054 71.054 68.273 2.781 25776 6489 1 9 . 1 1 38 38 THR H H 38 8.007 8.007 8.255 -0.248 25776 6490 1 9 . 1 1 39 39 VAL N N 39 120.865 120.865 123.433 -2.568 25776 6491 1 9 . 1 1 39 39 VAL C C 39 175.523 175.523 175.818 -0.295 25776 6492 1 9 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.922 0.178 25776 6493 1 9 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.151 1.893 25776 6494 1 9 . 1 1 39 39 VAL H H 39 8.043 8.043 8.492 -0.449 25776 6495 1 9 . 1 1 40 40 ASP N N 40 124.053 124.053 119.914 4.139 25776 6496 1 9 . 1 1 40 40 ASP C C 40 176.132 176.132 175.426 0.706 25776 6497 1 9 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.044 1.237 25776 6498 1 9 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.818 1.401 25776 6499 1 9 . 1 1 40 40 ASP H H 40 8.333 8.333 7.895 0.438 25776 6500 1 9 . 1 1 41 41 SER N N 41 115.655 115.655 116.785 -1.130 25776 6501 1 9 . 1 1 41 41 SER C C 41 174.147 174.147 173.965 0.182 25776 6502 1 9 . 1 1 41 41 SER CA C 41 59.367 59.367 58.873 0.494 25776 6503 1 9 . 1 1 41 41 SER CB C 41 65.027 65.027 63.843 1.184 25776 6504 1 9 . 1 1 41 41 SER H H 41 8.142 8.142 8.235 -0.093 25776 6505 1 9 . 1 1 42 42 ASP N N 42 123.005 123.005 118.882 4.123 25776 6506 1 9 . 1 1 42 42 ASP C C 42 176.578 176.578 175.410 1.168 25776 6507 1 9 . 1 1 42 42 ASP CA C 42 55.439 55.439 53.985 1.454 25776 6508 1 9 . 1 1 42 42 ASP CB C 42 42.404 42.404 40.587 1.817 25776 6509 1 9 . 1 1 42 42 ASP H H 42 8.433 8.433 8.115 0.318 25776 6510 1 9 . 1 1 43 43 THR C C 43 176.244 176.244 175.078 1.166 25776 6511 1 9 . 1 1 43 43 THR CA C 43 62.772 62.772 63.337 -0.565 25776 6512 1 9 . 1 1 43 43 THR CB C 43 71.018 71.018 69.242 1.776 25776 6513 1 9 . 1 1 44 44 GLN N N 44 123.824 123.824 119.561 4.263 25776 6514 1 9 . 1 1 44 44 GLN C C 44 177.061 177.061 173.927 3.134 25776 6515 1 9 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.350 1.929 25776 6516 1 9 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.436 3.226 25776 6517 1 9 . 1 1 44 44 GLN H H 44 8.270 8.270 7.890 0.380 25776 6518 1 9 . 1 1 45 45 LEU N N 45 122.159 122.159 125.199 -3.040 25776 6519 1 9 . 1 1 45 45 LEU C C 45 176.419 176.419 175.923 0.496 25776 6520 1 9 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.505 2.613 25776 6521 1 9 . 1 1 45 45 LEU CB C 45 42.621 42.621 44.872 -2.251 25776 6522 1 9 . 1 1 45 45 LEU H H 45 7.940 7.940 8.775 -0.835 25776 6523 1 9 . 1 1 46 46 GLY N N 46 107.861 107.861 107.281 0.580 25776 6524 1 9 . 1 1 46 46 GLY C C 46 171.538 171.538 171.936 -0.398 25776 6525 1 9 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.633 0.142 25776 6526 1 9 . 1 1 46 46 GLY H H 46 8.566 8.566 8.270 0.296 25776 6527 1 9 . 1 1 47 47 LEU N N 47 122.959 122.959 119.111 3.848 25776 6528 1 9 . 1 1 47 47 LEU C C 47 175.422 175.422 174.966 0.456 25776 6529 1 9 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.553 0.778 25776 6530 1 9 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.372 2.971 25776 6531 1 9 . 1 1 47 47 LEU H H 47 8.457 8.457 8.193 0.264 25776 6532 1 9 . 1 1 48 48 THR N N 48 112.144 112.144 112.379 -0.235 25776 6533 1 9 . 1 1 48 48 THR C C 48 172.347 172.347 172.767 -0.420 25776 6534 1 9 . 1 1 48 48 THR CA C 48 59.573 59.573 61.017 -1.444 25776 6535 1 9 . 1 1 48 48 THR CB C 48 72.843 72.843 71.875 0.968 25776 6536 1 9 . 1 1 48 48 THR H H 48 8.814 8.814 8.965 -0.151 25776 6537 1 9 . 1 1 49 49 PHE N N 49 118.787 118.787 124.044 -5.257 25776 6538 1 9 . 1 1 49 49 PHE C C 49 174.623 174.623 175.553 -0.930 25776 6539 1 9 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.902 -2.165 25776 6540 1 9 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.365 0.621 25776 6541 1 9 . 1 1 49 49 PHE H H 49 8.455 8.455 8.588 -0.133 25776 6542 1 9 . 1 1 50 50 THR N N 50 121.279 121.279 115.607 5.672 25776 6543 1 9 . 1 1 50 50 THR C C 50 173.272 173.272 173.389 -0.117 25776 6544 1 9 . 1 1 50 50 THR CA C 50 63.315 63.315 61.781 1.534 25776 6545 1 9 . 1 1 50 50 THR CB C 50 74.327 74.327 70.004 4.323 25776 6546 1 9 . 1 1 50 50 THR H H 50 9.372 9.372 8.677 0.695 25776 6547 1 9 . 1 1 51 51 TYR N N 51 126.005 126.005 126.854 -0.849 25776 6548 1 9 . 1 1 51 51 TYR C C 51 174.837 174.837 175.608 -0.771 25776 6549 1 9 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.631 0.229 25776 6550 1 9 . 1 1 51 51 TYR CB C 51 42.447 42.447 37.574 4.873 25776 6551 1 9 . 1 1 51 51 TYR H H 51 9.157 9.157 9.702 -0.545 25776 6552 1 9 . 1 1 52 52 MET N N 52 127.601 127.601 123.649 3.952 25776 6553 1 9 . 1 1 52 52 MET C C 52 174.466 174.466 174.440 0.026 25776 6554 1 9 . 1 1 52 52 MET CA C 52 53.171 53.171 56.278 -3.107 25776 6555 1 9 . 1 1 52 52 MET CB C 52 29.467 29.467 33.087 -3.620 25776 6556 1 9 . 1 1 52 52 MET H H 52 7.998 7.998 7.988 0.010 25776 6557 1 9 . 1 1 53 53 PHE N N 53 123.918 123.918 127.149 -3.231 25776 6558 1 9 . 1 1 53 53 PHE C C 53 173.685 173.685 174.513 -0.828 25776 6559 1 9 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.129 1.485 25776 6560 1 9 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.269 -2.158 25776 6561 1 9 . 1 1 53 53 PHE H H 53 7.762 7.762 8.509 -0.747 25776 6562 1 9 . 1 1 54 54 ALA N N 54 125.892 125.892 130.808 -4.916 25776 6563 1 9 . 1 1 54 54 ALA C C 54 174.976 174.976 176.589 -1.613 25776 6564 1 9 . 1 1 54 54 ALA CA C 54 51.443 51.443 52.955 -1.512 25776 6565 1 9 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.211 5.323 25776 6566 1 9 . 1 1 54 54 ALA H H 54 8.396 8.396 8.313 0.083 25776 6567 1 9 . 1 1 55 55 ASP N N 55 118.951 118.951 121.090 -2.139 25776 6568 1 9 . 1 1 55 55 ASP C C 55 174.777 174.777 175.506 -0.729 25776 6569 1 9 . 1 1 55 55 ASP CA C 55 59.139 59.139 55.591 3.548 25776 6570 1 9 . 1 1 55 55 ASP CB C 55 40.948 40.948 39.024 1.924 25776 6571 1 9 . 1 1 55 55 ASP H H 55 8.632 8.632 8.457 0.175 25776 6572 1 9 . 1 1 56 56 LYS N N 56 106.363 106.363 113.418 -7.055 25776 6573 1 9 . 1 1 56 56 LYS C C 56 174.930 174.930 174.758 0.172 25776 6574 1 9 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.712 -0.841 25776 6575 1 9 . 1 1 56 56 LYS CB C 56 35.437 35.437 35.759 -0.322 25776 6576 1 9 . 1 1 56 56 LYS H H 56 7.300 7.300 7.835 -0.535 25776 6577 1 9 . 1 1 57 57 TRP N N 57 115.784 115.784 118.970 -3.186 25776 6578 1 9 . 1 1 57 57 TRP C C 57 173.960 173.960 174.322 -0.362 25776 6579 1 9 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.319 -1.362 25776 6580 1 9 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.714 1.462 25776 6581 1 9 . 1 1 57 57 TRP H H 57 6.612 6.612 7.736 -1.124 25776 6582 1 9 . 1 1 58 58 GLY N N 58 107.657 107.657 106.578 1.079 25776 6583 1 9 . 1 1 58 58 GLY C C 58 172.720 172.720 171.792 0.928 25776 6584 1 9 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.895 -0.111 25776 6585 1 9 . 1 1 58 58 GLY H H 58 9.271 9.271 8.742 0.529 25776 6586 1 9 . 1 1 59 59 VAL N N 59 118.434 118.434 124.851 -6.417 25776 6587 1 9 . 1 1 59 59 VAL C C 59 172.973 172.973 173.718 -0.745 25776 6588 1 9 . 1 1 59 59 VAL CA C 59 60.638 60.638 59.024 1.614 25776 6589 1 9 . 1 1 59 59 VAL CB C 59 36.036 36.036 35.473 0.563 25776 6590 1 9 . 1 1 59 59 VAL H H 59 9.080 9.080 8.023 1.057 25776 6591 1 9 . 1 1 60 60 GLU N N 60 127.915 127.915 127.900 0.015 25776 6592 1 9 . 1 1 60 60 GLU C C 60 174.464 174.464 174.591 -0.127 25776 6593 1 9 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.144 -0.393 25776 6594 1 9 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.046 2.996 25776 6595 1 9 . 1 1 60 60 GLU H H 60 9.431 9.431 9.290 0.141 25776 6596 1 9 . 1 1 61 61 LEU N N 61 127.764 127.764 124.392 3.372 25776 6597 1 9 . 1 1 61 61 LEU C C 61 174.746 174.746 176.279 -1.533 25776 6598 1 9 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.092 -0.101 25776 6599 1 9 . 1 1 61 61 LEU CB C 61 46.880 46.880 44.483 2.397 25776 6600 1 9 . 1 1 61 61 LEU H H 61 8.730 8.730 8.389 0.341 25776 6601 1 9 . 1 1 62 62 VAL N N 62 126.465 126.465 123.517 2.948 25776 6602 1 9 . 1 1 62 62 VAL C C 62 174.453 174.453 174.743 -0.290 25776 6603 1 9 . 1 1 62 62 VAL CA C 62 62.285 62.285 62.137 0.148 25776 6604 1 9 . 1 1 62 62 VAL CB C 62 35.086 35.086 33.133 1.953 25776 6605 1 9 . 1 1 62 62 VAL H H 62 9.068 9.068 7.979 1.089 25776 6606 1 9 . 1 1 63 63 ALA N N 63 130.444 130.444 126.804 3.640 25776 6607 1 9 . 1 1 63 63 ALA C C 63 174.030 174.030 175.273 -1.243 25776 6608 1 9 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.042 -0.792 25776 6609 1 9 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.124 1.379 25776 6610 1 9 . 1 1 63 63 ALA H H 63 9.124 9.124 8.352 0.772 25776 6611 1 9 . 1 1 64 64 ALA N N 64 121.285 121.285 125.140 -3.855 25776 6612 1 9 . 1 1 64 64 ALA C C 64 176.843 176.843 177.849 -1.006 25776 6613 1 9 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.600 0.570 25776 6614 1 9 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.571 3.601 25776 6615 1 9 . 1 1 64 64 ALA H H 64 7.995 7.995 8.328 -0.333 25776 6616 1 9 . 1 1 65 65 THR N N 65 109.734 109.734 116.133 -6.399 25776 6617 1 9 . 1 1 65 65 THR C C 65 176.739 176.739 174.107 2.632 25776 6618 1 9 . 1 1 65 65 THR CA C 65 61.660 61.660 60.307 1.353 25776 6619 1 9 . 1 1 65 65 THR CB C 65 68.341 68.341 69.173 -0.832 25776 6620 1 9 . 1 1 65 65 THR H H 65 8.108 8.108 8.227 -0.119 25776 6621 1 9 . 1 1 67 67 PHE N N 67 123.676 123.676 119.353 4.323 25776 6622 1 9 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.984 -1.135 25776 6623 1 9 . 1 1 67 67 PHE H H 67 8.382 8.382 8.527 -0.145 25776 6624 1 9 . 1 1 74 74 LYS C C 74 177.704 177.704 177.639 0.065 25776 6625 1 9 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.572 -0.544 25776 6626 1 9 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.584 1.478 25776 6627 1 9 . 1 1 75 75 GLY N N 75 108.841 108.841 109.027 -0.186 25776 6628 1 9 . 1 1 75 75 GLY C C 75 174.405 174.405 173.853 0.552 25776 6629 1 9 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.779 1.933 25776 6630 1 9 . 1 1 75 75 GLY H H 75 8.069 8.069 7.870 0.199 25776 6631 1 9 . 1 1 76 76 LEU N N 76 120.093 120.093 120.849 -0.756 25776 6632 1 9 . 1 1 76 76 LEU C C 76 176.997 176.997 177.396 -0.399 25776 6633 1 9 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.661 1.519 25776 6634 1 9 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.077 2.920 25776 6635 1 9 . 1 1 76 76 LEU H H 76 7.623 7.623 8.174 -0.551 25776 6636 1 9 . 1 1 79 79 GLY C C 79 175.675 175.675 172.846 2.829 25776 6637 1 9 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.632 1.467 25776 6638 1 9 . 1 1 80 80 LEU N N 80 130.062 130.062 124.407 5.655 25776 6639 1 9 . 1 1 80 80 LEU C C 80 176.062 176.062 176.206 -0.144 25776 6640 1 9 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.081 0.323 25776 6641 1 9 . 1 1 80 80 LEU CB C 80 43.006 43.006 44.592 -1.586 25776 6642 1 9 . 1 1 80 80 LEU H H 80 9.441 9.441 8.148 1.293 25776 6643 1 9 . 1 1 81 81 ASP N N 81 124.816 124.816 125.665 -0.849 25776 6644 1 9 . 1 1 81 81 ASP C C 81 178.992 178.992 176.094 2.898 25776 6645 1 9 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.770 1.999 25776 6646 1 9 . 1 1 81 81 ASP CB C 81 41.947 41.947 40.922 1.025 25776 6647 1 9 . 1 1 81 81 ASP H H 81 7.854 7.854 8.668 -0.814 25776 6648 1 9 . 1 1 91 91 PRO C C 91 175.297 175.297 175.583 -0.286 25776 6649 1 9 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.905 -1.072 25776 6650 1 9 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.386 1.145 25776 6651 1 9 . 1 1 92 92 ALA N N 92 123.521 123.521 121.623 1.898 25776 6652 1 9 . 1 1 92 92 ALA C C 92 175.643 175.643 175.229 0.414 25776 6653 1 9 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.594 1.081 25776 6654 1 9 . 1 1 92 92 ALA CB C 92 22.725 22.725 21.621 1.104 25776 6655 1 9 . 1 1 92 92 ALA H H 92 8.829 8.829 7.850 0.979 25776 6656 1 9 . 1 1 93 93 THR N N 93 117.599 117.599 121.316 -3.717 25776 6657 1 9 . 1 1 93 93 THR C C 93 171.440 171.440 173.061 -1.621 25776 6658 1 9 . 1 1 93 93 THR CA C 93 62.066 62.066 61.843 0.223 25776 6659 1 9 . 1 1 93 93 THR CB C 93 72.352 72.352 70.627 1.725 25776 6660 1 9 . 1 1 93 93 THR H H 93 8.237 8.237 8.044 0.193 25776 6661 1 9 . 1 1 94 94 LEU N N 94 129.530 129.530 129.651 -0.121 25776 6662 1 9 . 1 1 94 94 LEU C C 94 174.995 174.995 173.766 1.229 25776 6663 1 9 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.410 -0.216 25776 6664 1 9 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.771 1.394 25776 6665 1 9 . 1 1 94 94 LEU H H 94 8.732 8.732 8.407 0.325 25776 6666 1 9 . 1 1 95 95 LEU N N 95 124.181 124.181 126.659 -2.478 25776 6667 1 9 . 1 1 95 95 LEU C C 95 175.270 175.270 173.671 1.599 25776 6668 1 9 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.602 0.931 25776 6669 1 9 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.812 -0.140 25776 6670 1 9 . 1 1 95 95 LEU H H 95 9.485 9.485 8.380 1.105 25776 6671 1 9 . 1 1 96 96 LEU N N 96 123.444 123.444 125.858 -2.414 25776 6672 1 9 . 1 1 96 96 LEU C C 96 174.997 174.997 175.191 -0.194 25776 6673 1 9 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.339 0.974 25776 6674 1 9 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.575 0.573 25776 6675 1 9 . 1 1 96 96 LEU H H 96 8.836 8.836 8.590 0.246 25776 6676 1 9 . 1 1 97 97 GLN N N 97 121.545 121.545 124.268 -2.723 25776 6677 1 9 . 1 1 97 97 GLN C C 97 174.324 174.324 174.557 -0.233 25776 6678 1 9 . 1 1 97 97 GLN CA C 97 55.388 55.388 55.196 0.192 25776 6679 1 9 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.518 6.006 25776 6680 1 9 . 1 1 97 97 GLN H H 97 9.566 9.566 9.332 0.234 25776 6681 1 9 . 1 1 98 98 TYR N N 98 122.246 122.246 121.395 0.851 25776 6682 1 9 . 1 1 98 98 TYR C C 98 173.409 173.409 174.236 -0.827 25776 6683 1 9 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.470 -0.815 25776 6684 1 9 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.273 0.935 25776 6685 1 9 . 1 1 98 98 TYR H H 98 9.053 9.053 9.313 -0.260 25776 6686 1 9 . 1 1 99 99 TYR N N 99 126.872 126.872 125.815 1.057 25776 6687 1 9 . 1 1 99 99 TYR C C 99 175.310 175.310 175.303 0.007 25776 6688 1 9 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.133 0.623 25776 6689 1 9 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.329 2.306 25776 6690 1 9 . 1 1 99 99 TYR H H 99 8.344 8.344 7.397 0.947 25776 6691 1 9 . 1 1 100 100 PRO C C 100 178.304 178.304 177.098 1.206 25776 6692 1 9 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.375 0.035 25776 6693 1 9 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.139 0.968 25776 6694 1 9 . 1 1 101 101 MET N N 101 114.703 114.703 117.346 -2.643 25776 6695 1 9 . 1 1 101 101 MET C C 101 178.218 178.218 175.443 2.775 25776 6696 1 9 . 1 1 101 101 MET CA C 101 54.147 54.147 53.663 0.484 25776 6697 1 9 . 1 1 101 101 MET CB C 101 30.956 30.956 33.088 -2.132 25776 6698 1 9 . 1 1 101 101 MET H H 101 9.432 9.432 7.867 1.565 25776 6699 1 9 . 1 1 102 102 GLY N N 102 117.671 117.671 108.077 9.594 25776 6700 1 9 . 1 1 102 102 GLY C C 102 175.611 175.611 174.043 1.568 25776 6701 1 9 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.711 2.741 25776 6702 1 9 . 1 1 102 102 GLY H H 102 8.671 8.671 7.411 1.260 25776 6703 1 9 . 1 1 103 103 GLY N N 103 111.298 111.298 112.267 -0.969 25776 6704 1 9 . 1 1 103 103 GLY C C 103 174.054 174.054 173.563 0.491 25776 6705 1 9 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.321 1.499 25776 6706 1 9 . 1 1 103 103 GLY H H 103 9.436 9.436 8.392 1.044 25776 6707 1 9 . 1 1 104 104 THR N N 104 109.330 109.330 112.194 -2.864 25776 6708 1 9 . 1 1 104 104 THR C C 104 174.248 174.248 173.388 0.860 25776 6709 1 9 . 1 1 104 104 THR CA C 104 61.454 61.454 59.919 1.535 25776 6710 1 9 . 1 1 104 104 THR CB C 104 72.711 72.711 70.282 2.429 25776 6711 1 9 . 1 1 104 104 THR H H 104 7.321 7.321 7.373 -0.052 25776 6712 1 9 . 1 1 105 105 ASN C C 105 175.032 175.032 175.070 -0.038 25776 6713 1 9 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.251 0.162 25776 6714 1 9 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.773 0.070 25776 6715 1 9 . 1 1 106 106 SER N N 106 113.116 113.116 115.819 -2.703 25776 6716 1 9 . 1 1 106 106 SER C C 106 175.961 175.961 174.215 1.746 25776 6717 1 9 . 1 1 106 106 SER CA C 106 59.289 59.289 58.050 1.239 25776 6718 1 9 . 1 1 106 106 SER CB C 106 65.208 65.208 63.773 1.435 25776 6719 1 9 . 1 1 106 106 SER H H 106 7.487 7.487 7.468 0.019 25776 6720 1 9 . 1 1 107 107 ALA N N 107 132.317 132.317 128.040 4.277 25776 6721 1 9 . 1 1 107 107 ALA C C 107 176.554 176.554 177.612 -1.058 25776 6722 1 9 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.180 1.819 25776 6723 1 9 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.765 0.765 25776 6724 1 9 . 1 1 107 107 ALA H H 107 8.891 8.891 8.447 0.444 25776 6725 1 9 . 1 1 108 108 PHE N N 108 116.265 116.265 115.722 0.543 25776 6726 1 9 . 1 1 108 108 PHE C C 108 174.254 174.254 175.109 -0.855 25776 6727 1 9 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.215 0.449 25776 6728 1 9 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.554 1.681 25776 6729 1 9 . 1 1 108 108 PHE H H 108 7.592 7.592 7.479 0.113 25776 6730 1 9 . 1 1 109 109 GLN N N 109 128.401 128.401 122.635 5.766 25776 6731 1 9 . 1 1 109 109 GLN C C 109 172.298 172.298 174.306 -2.008 25776 6732 1 9 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.862 0.075 25776 6733 1 9 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.728 -0.748 25776 6734 1 9 . 1 1 109 109 GLN H H 109 9.095 9.095 8.729 0.366 25776 6735 1 9 . 1 1 110 110 PRO C C 110 175.005 175.005 175.812 -0.807 25776 6736 1 9 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.661 -0.437 25776 6737 1 9 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.492 1.637 25776 6738 1 9 . 1 1 111 111 TYR N N 111 115.731 115.731 116.420 -0.689 25776 6739 1 9 . 1 1 111 111 TYR C C 111 173.783 173.783 173.501 0.282 25776 6740 1 9 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.153 0.919 25776 6741 1 9 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.654 -1.219 25776 6742 1 9 . 1 1 111 111 TYR H H 111 8.510 8.510 9.052 -0.542 25776 6743 1 9 . 1 1 112 112 GLY N N 112 103.737 103.737 107.414 -3.677 25776 6744 1 9 . 1 1 112 112 GLY C C 112 172.014 172.014 172.655 -0.641 25776 6745 1 9 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.053 0.591 25776 6746 1 9 . 1 1 112 112 GLY H H 112 8.149 8.149 8.901 -0.752 25776 6747 1 9 . 1 1 113 113 GLY N N 113 108.372 108.372 109.702 -1.330 25776 6748 1 9 . 1 1 113 113 GLY C C 113 171.486 171.486 172.011 -0.525 25776 6749 1 9 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.698 1.142 25776 6750 1 9 . 1 1 113 113 GLY H H 113 9.028 9.028 8.953 0.075 25776 6751 1 9 . 1 1 114 114 LEU N N 114 120.469 120.469 118.425 2.044 25776 6752 1 9 . 1 1 114 114 LEU C C 114 175.878 175.878 175.498 0.380 25776 6753 1 9 . 1 1 114 114 LEU CA C 114 54.611 54.611 54.496 0.115 25776 6754 1 9 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.939 2.038 25776 6755 1 9 . 1 1 114 114 LEU H H 114 8.741 8.741 7.912 0.829 25776 6756 1 9 . 1 1 115 115 GLY N N 115 111.145 111.145 107.143 4.002 25776 6757 1 9 . 1 1 115 115 GLY C C 115 171.336 171.336 172.065 -0.729 25776 6758 1 9 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.148 2.707 25776 6759 1 9 . 1 1 115 115 GLY H H 115 8.952 8.952 9.040 -0.088 25776 6760 1 9 . 1 1 116 116 VAL N N 116 118.641 118.641 114.198 4.443 25776 6761 1 9 . 1 1 116 116 VAL C C 116 172.617 172.617 173.744 -1.127 25776 6762 1 9 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.863 0.853 25776 6763 1 9 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.221 3.151 25776 6764 1 9 . 1 1 116 116 VAL H H 116 8.844 8.844 8.580 0.264 25776 6765 1 9 . 1 1 117 117 ASN N N 117 123.839 123.839 123.458 0.381 25776 6766 1 9 . 1 1 117 117 ASN C C 117 171.105 171.105 173.732 -2.627 25776 6767 1 9 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.803 0.139 25776 6768 1 9 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.053 2.525 25776 6769 1 9 . 1 1 117 117 ASN H H 117 9.647 9.647 8.900 0.747 25776 6770 1 9 . 1 1 118 118 TYR N N 118 125.160 125.160 121.343 3.817 25776 6771 1 9 . 1 1 118 118 TYR C C 118 174.349 174.349 173.303 1.046 25776 6772 1 9 . 1 1 118 118 TYR CA C 118 56.557 56.557 55.765 0.792 25776 6773 1 9 . 1 1 118 118 TYR CB C 118 42.564 42.564 40.628 1.936 25776 6774 1 9 . 1 1 118 118 TYR H H 118 8.989 8.989 7.835 1.154 25776 6775 1 9 . 1 1 119 119 THR N N 119 124.319 124.319 117.975 6.344 25776 6776 1 9 . 1 1 119 119 THR C C 119 171.231 171.231 173.810 -2.579 25776 6777 1 9 . 1 1 119 119 THR CA C 119 62.951 62.951 59.991 2.960 25776 6778 1 9 . 1 1 119 119 THR CB C 119 72.427 72.427 69.997 2.430 25776 6779 1 9 . 1 1 119 119 THR H H 119 8.806 8.806 8.438 0.368 25776 6780 1 9 . 1 1 120 120 THR N N 120 119.978 119.978 115.909 4.069 25776 6781 1 9 . 1 1 120 120 THR C C 120 171.174 171.174 173.832 -2.658 25776 6782 1 9 . 1 1 120 120 THR CA C 120 59.197 59.197 60.670 -1.473 25776 6783 1 9 . 1 1 120 120 THR CB C 120 72.088 72.088 70.426 1.662 25776 6784 1 9 . 1 1 120 120 THR H H 120 7.559 7.559 8.101 -0.542 25776 6785 1 9 . 1 1 121 121 PHE C C 121 175.289 175.289 173.724 1.565 25776 6786 1 9 . 1 1 121 121 PHE CB C 121 44.369 44.369 39.823 4.546 25776 6787 1 9 . 1 1 122 122 PHE N N 122 117.578 117.578 121.618 -4.040 25776 6788 1 9 . 1 1 122 122 PHE C C 122 172.555 172.555 175.639 -3.084 25776 6789 1 9 . 1 1 122 122 PHE CA C 122 56.884 56.884 56.428 0.456 25776 6790 1 9 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.741 -0.510 25776 6791 1 9 . 1 1 122 122 PHE H H 122 8.541 8.541 8.490 0.051 25776 6792 1 9 . 1 1 123 123 ASP N N 123 116.448 116.448 121.828 -5.380 25776 6793 1 9 . 1 1 123 123 ASP C C 123 175.240 175.240 175.476 -0.236 25776 6794 1 9 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.532 1.302 25776 6795 1 9 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.859 -2.015 25776 6796 1 9 . 1 1 123 123 ASP H H 123 8.940 8.940 8.688 0.252 25776 6797 1 9 . 1 1 124 124 GLU C C 124 177.545 177.545 175.964 1.581 25776 6798 1 9 . 1 1 124 124 GLU CA C 124 59.890 59.890 57.415 2.475 25776 6799 1 9 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.430 -0.973 25776 6800 1 9 . 1 1 125 125 ASP N N 125 126.424 126.424 120.146 6.278 25776 6801 1 9 . 1 1 125 125 ASP C C 125 176.191 176.191 177.778 -1.587 25776 6802 1 9 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.232 -0.221 25776 6803 1 9 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.622 1.927 25776 6804 1 9 . 1 1 125 125 ASP H H 125 9.100 9.100 8.574 0.526 25776 6805 1 9 . 1 1 126 126 LEU N N 126 127.990 127.990 118.692 9.298 25776 6806 1 9 . 1 1 126 126 LEU C C 126 175.808 175.808 176.249 -0.441 25776 6807 1 9 . 1 1 126 126 LEU CA C 126 56.268 56.268 56.268 0.000 25776 6808 1 9 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.253 3.603 25776 6809 1 9 . 1 1 126 126 LEU H H 126 8.570 8.570 8.215 0.355 25776 6810 1 9 . 1 1 127 127 ALA N N 127 124.126 124.126 122.253 1.873 25776 6811 1 9 . 1 1 127 127 ALA C C 127 179.833 179.833 176.886 2.947 25776 6812 1 9 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.139 0.583 25776 6813 1 9 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.397 0.662 25776 6814 1 9 . 1 1 127 127 ALA H H 127 7.885 7.885 7.955 -0.070 25776 6815 1 9 . 1 1 129 129 ASN C C 129 176.927 176.927 175.226 1.701 25776 6816 1 9 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.235 -1.762 25776 6817 1 9 . 1 1 130 130 ARG N N 130 117.748 117.748 122.152 -4.404 25776 6818 1 9 . 1 1 130 130 ARG C C 130 179.430 179.430 178.004 1.426 25776 6819 1 9 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.097 -2.254 25776 6820 1 9 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.494 -0.168 25776 6821 1 9 . 1 1 130 130 ARG H H 130 7.435 7.435 8.506 -1.071 25776 6822 1 9 . 1 1 131 131 LYS N N 131 122.261 122.261 119.647 2.614 25776 6823 1 9 . 1 1 131 131 LYS C C 131 180.937 180.937 177.978 2.959 25776 6824 1 9 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.267 2.195 25776 6825 1 9 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.313 0.598 25776 6826 1 9 . 1 1 131 131 LYS H H 131 7.945 7.945 8.362 -0.417 25776 6827 1 9 . 1 1 132 132 ALA N N 132 122.083 122.083 120.646 1.437 25776 6828 1 9 . 1 1 132 132 ALA C C 132 178.748 178.748 178.984 -0.236 25776 6829 1 9 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.041 1.328 25776 6830 1 9 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.621 0.508 25776 6831 1 9 . 1 1 132 132 ALA H H 132 7.770 7.770 7.745 0.025 25776 6832 1 9 . 1 1 133 133 GLN N N 133 116.102 116.102 118.266 -2.164 25776 6833 1 9 . 1 1 133 133 GLN C C 133 175.525 175.525 177.396 -1.871 25776 6834 1 9 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.533 1.565 25776 6835 1 9 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.756 0.599 25776 6836 1 9 . 1 1 133 133 GLN H H 133 7.302 7.302 7.750 -0.448 25776 6837 1 9 . 1 1 134 134 GLY N N 134 104.444 104.444 108.915 -4.471 25776 6838 1 9 . 1 1 134 134 GLY C C 134 174.460 174.460 174.602 -0.142 25776 6839 1 9 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.964 -0.082 25776 6840 1 9 . 1 1 134 134 GLY H H 134 7.596 7.596 8.007 -0.411 25776 6841 1 9 . 1 1 135 135 PHE N N 135 119.775 119.775 119.461 0.314 25776 6842 1 9 . 1 1 135 135 PHE C C 135 174.922 174.922 176.776 -1.854 25776 6843 1 9 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.533 2.361 25776 6844 1 9 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.855 0.436 25776 6845 1 9 . 1 1 135 135 PHE H H 135 7.737 7.737 7.887 -0.150 25776 6846 1 9 . 1 1 136 136 SER N N 136 115.673 115.673 121.835 -6.162 25776 6847 1 9 . 1 1 136 136 SER C C 136 174.415 174.415 175.223 -0.808 25776 6848 1 9 . 1 1 136 136 SER CA C 136 59.679 59.679 59.821 -0.142 25776 6849 1 9 . 1 1 136 136 SER CB C 136 66.246 66.246 63.678 2.568 25776 6850 1 9 . 1 1 136 136 SER H H 136 8.862 8.862 9.100 -0.238 25776 6851 1 9 . 1 1 137 137 SER N N 137 114.341 114.341 115.505 -1.164 25776 6852 1 9 . 1 1 137 137 SER C C 137 172.164 172.164 173.523 -1.359 25776 6853 1 9 . 1 1 137 137 SER CA C 137 58.955 58.955 57.605 1.350 25776 6854 1 9 . 1 1 137 137 SER CB C 137 65.592 65.592 65.237 0.355 25776 6855 1 9 . 1 1 137 137 SER H H 137 7.912 7.912 8.210 -0.298 25776 6856 1 9 . 1 1 138 138 MET N N 138 120.555 120.555 121.211 -0.656 25776 6857 1 9 . 1 1 138 138 MET C C 138 173.189 173.189 174.825 -1.636 25776 6858 1 9 . 1 1 138 138 MET CA C 138 55.879 55.879 55.967 -0.088 25776 6859 1 9 . 1 1 138 138 MET CB C 138 36.962 36.962 34.223 2.739 25776 6860 1 9 . 1 1 138 138 MET H H 138 8.461 8.461 8.325 0.136 25776 6861 1 9 . 1 1 141 141 GLN C C 141 176.182 176.182 174.553 1.629 25776 6862 1 9 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.006 2.429 25776 6863 1 9 . 1 1 142 142 ASP N N 142 124.414 124.414 123.270 1.144 25776 6864 1 9 . 1 1 142 142 ASP C C 142 175.702 175.702 175.485 0.217 25776 6865 1 9 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.017 2.290 25776 6866 1 9 . 1 1 142 142 ASP CB C 142 41.738 41.738 40.638 1.100 25776 6867 1 9 . 1 1 142 142 ASP H H 142 8.728 8.728 8.589 0.139 25776 6868 1 9 . 1 1 143 143 SER N N 143 114.920 114.920 116.168 -1.248 25776 6869 1 9 . 1 1 143 143 SER C C 143 172.289 172.289 173.334 -1.045 25776 6870 1 9 . 1 1 143 143 SER CA C 143 57.652 57.652 57.445 0.207 25776 6871 1 9 . 1 1 143 143 SER CB C 143 66.215 66.215 64.679 1.536 25776 6872 1 9 . 1 1 143 143 SER H H 143 8.703 8.703 8.177 0.526 25776 6873 1 9 . 1 1 144 144 TRP N N 144 126.444 126.444 120.728 5.716 25776 6874 1 9 . 1 1 144 144 TRP C C 144 177.307 177.307 174.589 2.718 25776 6875 1 9 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.294 0.581 25776 6876 1 9 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.721 2.643 25776 6877 1 9 . 1 1 144 144 TRP H H 144 8.101 8.101 8.441 -0.340 25776 6878 1 9 . 1 1 145 145 GLY N N 145 108.757 108.757 107.766 0.991 25776 6879 1 9 . 1 1 145 145 GLY C C 145 171.985 171.985 171.754 0.231 25776 6880 1 9 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.010 2.538 25776 6881 1 9 . 1 1 145 145 GLY H H 145 8.889 8.889 8.429 0.460 25776 6882 1 9 . 1 1 146 146 LEU N N 146 121.579 121.579 121.296 0.283 25776 6883 1 9 . 1 1 146 146 LEU C C 146 174.909 174.909 174.950 -0.041 25776 6884 1 9 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.951 1.224 25776 6885 1 9 . 1 1 146 146 LEU CB C 146 45.163 45.163 44.215 0.948 25776 6886 1 9 . 1 1 146 146 LEU H H 146 9.035 9.035 8.473 0.562 25776 6887 1 9 . 1 1 147 147 ALA N N 147 121.342 121.342 127.511 -6.169 25776 6888 1 9 . 1 1 147 147 ALA C C 147 175.588 175.588 176.028 -0.440 25776 6889 1 9 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.098 0.836 25776 6890 1 9 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.684 2.421 25776 6891 1 9 . 1 1 147 147 ALA H H 147 8.123 8.123 9.158 -1.035 25776 6892 1 9 . 1 1 148 148 GLY N N 148 106.598 106.598 109.554 -2.956 25776 6893 1 9 . 1 1 148 148 GLY C C 148 171.829 171.829 171.974 -0.145 25776 6894 1 9 . 1 1 148 148 GLY CA C 148 44.748 44.748 43.580 1.168 25776 6895 1 9 . 1 1 148 148 GLY H H 148 9.216 9.216 8.869 0.347 25776 6896 1 9 . 1 1 149 149 GLU N N 149 122.775 122.775 121.725 1.050 25776 6897 1 9 . 1 1 149 149 GLU C C 149 174.078 174.078 174.351 -0.273 25776 6898 1 9 . 1 1 149 149 GLU CA C 149 55.802 55.802 54.184 1.618 25776 6899 1 9 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.144 4.271 25776 6900 1 9 . 1 1 149 149 GLU H H 149 8.493 8.493 8.463 0.030 25776 6901 1 9 . 1 1 150 150 LEU N N 150 126.310 126.310 124.849 1.461 25776 6902 1 9 . 1 1 150 150 LEU C C 150 174.309 174.309 174.767 -0.458 25776 6903 1 9 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.224 0.719 25776 6904 1 9 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.291 3.200 25776 6905 1 9 . 1 1 150 150 LEU H H 150 8.580 8.580 8.007 0.573 25776 6906 1 9 . 1 1 151 151 GLY N N 151 109.909 109.909 112.568 -2.659 25776 6907 1 9 . 1 1 151 151 GLY C C 151 170.538 170.538 171.381 -0.843 25776 6908 1 9 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.179 0.441 25776 6909 1 9 . 1 1 151 151 GLY H H 151 8.115 8.115 8.447 -0.332 25776 6910 1 9 . 1 1 152 152 PHE N N 152 111.012 111.012 114.556 -3.544 25776 6911 1 9 . 1 1 152 152 PHE C C 152 171.455 171.455 173.401 -1.946 25776 6912 1 9 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.279 2.433 25776 6913 1 9 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.077 0.418 25776 6914 1 9 . 1 1 152 152 PHE H H 152 8.365 8.365 8.625 -0.260 25776 6915 1 9 . 1 1 153 153 ASP N N 153 119.057 119.057 120.390 -1.333 25776 6916 1 9 . 1 1 153 153 ASP C C 153 176.522 176.522 174.765 1.757 25776 6917 1 9 . 1 1 153 153 ASP CA C 153 53.466 53.466 54.442 -0.976 25776 6918 1 9 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.710 1.387 25776 6919 1 9 . 1 1 153 153 ASP H H 153 8.014 8.014 9.081 -1.067 25776 6920 1 9 . 1 1 154 154 TYR N N 154 123.640 123.640 124.987 -1.347 25776 6921 1 9 . 1 1 154 154 TYR C C 154 175.593 175.593 173.890 1.703 25776 6922 1 9 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.344 0.544 25776 6923 1 9 . 1 1 154 154 TYR CB C 154 42.822 42.822 39.749 3.073 25776 6924 1 9 . 1 1 154 154 TYR H H 154 9.744 9.744 9.145 0.599 25776 6925 1 9 . 1 1 155 155 MET N N 155 126.409 126.409 120.483 5.926 25776 6926 1 9 . 1 1 155 155 MET C C 155 174.938 174.938 175.479 -0.541 25776 6927 1 9 . 1 1 155 155 MET CA C 155 55.410 55.410 55.268 0.142 25776 6928 1 9 . 1 1 155 155 MET CB C 155 29.170 29.170 33.997 -4.827 25776 6929 1 9 . 1 1 155 155 MET H H 155 8.659 8.659 8.136 0.523 25776 6930 1 9 . 1 1 156 156 LEU N N 156 125.396 125.396 123.666 1.730 25776 6931 1 9 . 1 1 156 156 LEU C C 156 177.567 177.567 177.943 -0.376 25776 6932 1 9 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.526 1.047 25776 6933 1 9 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.463 1.449 25776 6934 1 9 . 1 1 156 156 LEU H H 156 9.232 9.232 8.754 0.478 25776 6935 1 9 . 1 1 157 157 ASN N N 157 114.903 114.903 115.520 -0.617 25776 6936 1 9 . 1 1 157 157 ASN C C 157 173.568 173.568 175.971 -2.403 25776 6937 1 9 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.953 -1.761 25776 6938 1 9 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.194 0.717 25776 6939 1 9 . 1 1 157 157 ASN H H 157 8.099 8.099 8.170 -0.071 25776 6940 1 9 . 1 1 158 158 GLU N N 158 114.724 114.724 117.792 -3.068 25776 6941 1 9 . 1 1 158 158 GLU C C 158 176.032 176.032 177.402 -1.370 25776 6942 1 9 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.808 2.870 25776 6943 1 9 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.220 0.295 25776 6944 1 9 . 1 1 158 158 GLU H H 158 8.625 8.625 8.763 -0.138 25776 6945 1 9 . 1 1 159 159 HIS N N 159 111.022 111.022 115.615 -4.593 25776 6946 1 9 . 1 1 159 159 HIS C C 159 173.158 173.158 174.080 -0.922 25776 6947 1 9 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.561 0.875 25776 6948 1 9 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.283 1.109 25776 6949 1 9 . 1 1 159 159 HIS H H 159 8.201 8.201 8.274 -0.073 25776 6950 1 9 . 1 1 160 160 ALA N N 160 122.967 122.967 120.719 2.248 25776 6951 1 9 . 1 1 160 160 ALA C C 160 176.212 176.212 175.120 1.092 25776 6952 1 9 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.951 0.371 25776 6953 1 9 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.982 1.444 25776 6954 1 9 . 1 1 160 160 ALA H H 160 8.389 8.389 7.658 0.731 25776 6955 1 9 . 1 1 161 161 LEU N N 161 116.648 116.648 118.580 -1.932 25776 6956 1 9 . 1 1 161 161 LEU C C 161 174.922 174.922 176.133 -1.211 25776 6957 1 9 . 1 1 161 161 LEU CA C 161 54.885 54.885 54.050 0.835 25776 6958 1 9 . 1 1 161 161 LEU CB C 161 46.495 46.495 45.308 1.187 25776 6959 1 9 . 1 1 161 161 LEU H H 161 8.616 8.616 8.409 0.207 25776 6960 1 9 . 1 1 162 162 PHE N N 162 121.938 121.938 120.157 1.781 25776 6961 1 9 . 1 1 162 162 PHE C C 162 171.989 171.989 174.916 -2.927 25776 6962 1 9 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.176 0.842 25776 6963 1 9 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.950 0.139 25776 6964 1 9 . 1 1 162 162 PHE H H 162 9.221 9.221 8.795 0.426 25776 6965 1 9 . 1 1 163 163 ASN N N 163 127.932 127.932 119.146 8.786 25776 6966 1 9 . 1 1 163 163 ASN C C 163 171.357 171.357 173.608 -2.251 25776 6967 1 9 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.724 0.225 25776 6968 1 9 . 1 1 163 163 ASN CB C 163 47.040 47.040 42.343 4.697 25776 6969 1 9 . 1 1 163 163 ASN H H 163 7.735 7.735 9.064 -1.329 25776 6970 1 9 . 1 1 164 164 MET N N 164 120.121 120.121 120.891 -0.770 25776 6971 1 9 . 1 1 164 164 MET C C 164 172.837 172.837 173.684 -0.847 25776 6972 1 9 . 1 1 164 164 MET CA C 164 55.914 55.914 54.921 0.993 25776 6973 1 9 . 1 1 164 164 MET CB C 164 38.643 38.643 37.094 1.549 25776 6974 1 9 . 1 1 164 164 MET H H 164 7.092 7.092 8.552 -1.460 25776 6975 1 9 . 1 1 165 165 ALA N N 165 120.745 120.745 126.424 -5.679 25776 6976 1 9 . 1 1 165 165 ALA C C 165 174.047 174.047 174.426 -0.379 25776 6977 1 9 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.344 1.070 25776 6978 1 9 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.522 0.621 25776 6979 1 9 . 1 1 165 165 ALA H H 165 8.370 8.370 8.331 0.039 25776 6980 1 9 . 1 1 166 166 VAL N N 166 118.385 118.385 118.315 0.070 25776 6981 1 9 . 1 1 166 166 VAL C C 166 172.556 172.556 175.100 -2.544 25776 6982 1 9 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.042 -1.414 25776 6983 1 9 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.901 2.226 25776 6984 1 9 . 1 1 166 166 VAL H H 166 8.723 8.723 8.618 0.105 25776 6985 1 9 . 1 1 167 167 TRP N N 167 123.258 123.258 128.345 -5.087 25776 6986 1 9 . 1 1 167 167 TRP C C 167 174.016 174.016 174.952 -0.936 25776 6987 1 9 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.026 1.578 25776 6988 1 9 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.498 1.161 25776 6989 1 9 . 1 1 167 167 TRP H H 167 9.312 9.312 8.331 0.981 25776 6990 1 9 . 1 1 168 168 TYR N N 168 121.455 121.455 127.831 -6.376 25776 6991 1 9 . 1 1 168 168 TYR C C 168 175.110 175.110 174.177 0.933 25776 6992 1 9 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.016 -0.830 25776 6993 1 9 . 1 1 168 168 TYR CB C 168 42.440 42.440 41.683 0.757 25776 6994 1 9 . 1 1 168 168 TYR H H 168 8.398 8.398 8.265 0.133 25776 6995 1 9 . 1 1 169 169 MET N N 169 124.800 124.800 123.791 1.009 25776 6996 1 9 . 1 1 169 169 MET C C 169 172.688 172.688 174.832 -2.144 25776 6997 1 9 . 1 1 169 169 MET CA C 169 55.640 55.640 54.736 0.904 25776 6998 1 9 . 1 1 169 169 MET CB C 169 34.143 34.143 33.816 0.327 25776 6999 1 9 . 1 1 169 169 MET H H 169 8.131 8.131 8.456 -0.325 25776 7000 1 9 . 1 1 170 170 ASP N N 170 122.780 122.780 123.991 -1.211 25776 7001 1 9 . 1 1 170 170 ASP C C 170 174.864 174.864 175.387 -0.523 25776 7002 1 9 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.358 1.525 25776 7003 1 9 . 1 1 170 170 ASP CB C 170 41.678 41.678 44.083 -2.405 25776 7004 1 9 . 1 1 170 170 ASP H H 170 8.191 8.191 8.103 0.088 25776 7005 1 9 . 1 1 171 171 ILE N N 171 127.252 127.252 121.618 5.634 25776 7006 1 9 . 1 1 171 171 ILE C C 171 174.476 174.476 175.123 -0.647 25776 7007 1 9 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.923 0.020 25776 7008 1 9 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.289 1.232 25776 7009 1 9 . 1 1 171 171 ILE H H 171 7.805 7.805 8.302 -0.497 25776 7010 1 9 . 1 1 172 172 ASP N N 172 129.369 129.369 128.016 1.353 25776 7011 1 9 . 1 1 172 172 ASP C C 172 174.520 174.520 175.465 -0.945 25776 7012 1 9 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.242 0.559 25776 7013 1 9 . 1 1 172 172 ASP CB C 172 43.089 43.089 40.576 2.513 25776 7014 1 9 . 1 1 172 172 ASP H H 172 8.541 8.541 8.376 0.165 25776 7015 1 9 . 1 1 173 173 THR N N 173 118.920 118.920 118.298 0.622 25776 7016 1 9 . 1 1 173 173 THR C C 173 172.170 172.170 174.126 -1.956 25776 7017 1 9 . 1 1 173 173 THR CA C 173 60.936 60.936 62.043 -1.107 25776 7018 1 9 . 1 1 173 173 THR CB C 173 70.002 70.002 69.896 0.106 25776 7019 1 9 . 1 1 173 173 THR H H 173 8.814 8.814 8.311 0.503 25776 7020 1 9 . 1 1 176 176 SER C C 176 174.672 174.672 175.018 -0.346 25776 7021 1 9 . 1 1 176 176 SER CA C 176 58.834 58.834 58.632 0.202 25776 7022 1 9 . 1 1 176 176 SER CB C 176 64.984 64.984 63.783 1.201 25776 7023 1 9 . 1 1 177 177 ILE N N 177 121.645 121.645 124.084 -2.439 25776 7024 1 9 . 1 1 177 177 ILE C C 177 174.945 174.945 174.807 0.138 25776 7025 1 9 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.074 1.272 25776 7026 1 9 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.741 1.398 25776 7027 1 9 . 1 1 177 177 ILE H H 177 7.993 7.993 7.599 0.394 25776 7028 1 9 . 1 1 178 178 ASN N N 178 127.223 127.223 126.374 0.849 25776 7029 1 9 . 1 1 178 178 ASN C C 178 179.120 179.120 175.227 3.893 25776 7030 1 9 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.204 2.459 25776 7031 1 9 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.981 2.938 25776 7032 1 9 . 1 1 178 178 ASN H H 178 7.882 7.882 8.409 -0.527 25776 7033 1 9 . 1 1 182 182 ALA N N 182 124.095 124.095 125.398 -1.303 25776 7034 1 9 . 1 1 182 182 ALA C C 182 177.680 177.680 176.919 0.761 25776 7035 1 9 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.534 2.682 25776 7036 1 9 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.938 -0.169 25776 7037 1 9 . 1 1 182 182 ALA H H 182 8.100 8.100 8.214 -0.114 25776 7038 1 9 . 1 1 183 183 LEU N N 183 118.394 118.394 119.778 -1.384 25776 7039 1 9 . 1 1 183 183 LEU C C 183 177.352 177.352 176.860 0.492 25776 7040 1 9 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.705 1.122 25776 7041 1 9 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.430 0.754 25776 7042 1 9 . 1 1 183 183 LEU H H 183 7.854 7.854 8.540 -0.686 25776 7043 1 9 . 1 1 184 184 GLY N N 184 107.897 107.897 108.044 -0.147 25776 7044 1 9 . 1 1 184 184 GLY C C 184 174.288 174.288 173.271 1.017 25776 7045 1 9 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.968 1.708 25776 7046 1 9 . 1 1 184 184 GLY H H 184 7.883 7.883 8.226 -0.343 25776 7047 1 9 . 1 1 185 185 VAL N N 185 118.254 118.254 118.445 -0.191 25776 7048 1 9 . 1 1 185 185 VAL C C 185 175.475 175.475 175.239 0.236 25776 7049 1 9 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.548 1.500 25776 7050 1 9 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.430 1.041 25776 7051 1 9 . 1 1 185 185 VAL H H 185 7.676 7.676 7.672 0.004 25776 7052 1 9 . 1 1 186 186 ASN N N 186 121.756 121.756 124.699 -2.943 25776 7053 1 9 . 1 1 186 186 ASN C C 186 174.724 174.724 174.382 0.342 25776 7054 1 9 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.481 1.112 25776 7055 1 9 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.919 0.979 25776 7056 1 9 . 1 1 186 186 ASN H H 186 8.331 8.331 8.454 -0.123 25776 7057 1 9 . 1 1 187 187 LYS N N 187 120.959 120.959 118.749 2.210 25776 7058 1 9 . 1 1 187 187 LYS C C 187 174.652 174.652 175.058 -0.406 25776 7059 1 9 . 1 1 187 187 LYS CA C 187 57.198 57.198 57.005 0.193 25776 7060 1 9 . 1 1 187 187 LYS CB C 187 34.043 34.043 30.849 3.194 25776 7061 1 9 . 1 1 187 187 LYS H H 187 8.031 8.031 8.525 -0.494 25776 7062 1 9 . 1 1 189 189 LYS C C 189 176.088 176.088 174.983 1.105 25776 7063 1 9 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.088 1.354 25776 7064 1 9 . 1 1 190 190 VAL N N 190 121.122 121.122 121.063 0.059 25776 7065 1 9 . 1 1 190 190 VAL C C 190 175.545 175.545 175.404 0.141 25776 7066 1 9 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.011 0.110 25776 7067 1 9 . 1 1 190 190 VAL CB C 190 33.948 33.948 30.577 3.371 25776 7068 1 9 . 1 1 190 190 VAL H H 190 8.067 8.067 8.668 -0.601 25776 7069 1 9 . 1 1 191 191 ASP N N 191 124.022 124.022 125.871 -1.849 25776 7070 1 9 . 1 1 191 191 ASP C C 191 175.710 175.710 176.820 -1.110 25776 7071 1 9 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.861 0.408 25776 7072 1 9 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.909 0.069 25776 7073 1 9 . 1 1 191 191 ASP H H 191 8.282 8.282 8.590 -0.308 25776 7074 1 9 . 1 1 192 192 VAL N N 192 118.928 118.928 119.424 -0.496 25776 7075 1 9 . 1 1 192 192 VAL C C 192 175.433 175.433 175.493 -0.060 25776 7076 1 9 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.945 -0.125 25776 7077 1 9 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.493 1.612 25776 7078 1 9 . 1 1 192 192 VAL H H 192 7.877 7.877 7.641 0.236 25776 7079 1 9 . 1 1 193 193 ASP N N 193 124.364 124.364 121.808 2.556 25776 7080 1 9 . 1 1 193 193 ASP C C 193 176.118 176.118 175.927 0.191 25776 7081 1 9 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.875 0.336 25776 7082 1 9 . 1 1 193 193 ASP CB C 193 42.033 42.033 40.907 1.126 25776 7083 1 9 . 1 1 193 193 ASP H H 193 8.335 8.335 8.231 0.104 25776 7084 1 9 . 1 1 198 198 VAL N N 198 126.400 126.400 126.616 -0.216 25776 7085 1 9 . 1 1 198 198 VAL C C 198 174.600 174.600 174.185 0.415 25776 7086 1 9 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.482 -1.042 25776 7087 1 9 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.016 2.084 25776 7088 1 9 . 1 1 198 198 VAL H H 198 8.474 8.474 8.546 -0.072 25776 7089 1 9 . 1 1 199 199 TYR N N 199 123.900 123.900 123.702 0.198 25776 7090 1 9 . 1 1 199 199 TYR C C 199 173.600 173.600 174.273 -0.673 25776 7091 1 9 . 1 1 199 199 TYR CA C 199 55.510 55.510 55.439 0.071 25776 7092 1 9 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.376 -0.746 25776 7093 1 9 . 1 1 199 199 TYR H H 199 8.748 8.748 7.966 0.782 25776 7094 1 9 . 1 1 200 200 MET N N 200 123.700 123.700 123.176 0.524 25776 7095 1 9 . 1 1 200 200 MET CA C 200 49.420 49.420 54.214 -4.794 25776 7096 1 9 . 1 1 200 200 MET H H 200 9.057 9.057 8.531 0.526 25776 7097 1 9 . 1 1 201 201 ILE C C 201 174.016 174.016 174.732 -0.716 25776 7098 1 9 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.153 1.321 25776 7099 1 9 . 1 1 201 201 ILE CB C 201 42.435 42.435 39.745 2.690 25776 7100 1 9 . 1 1 202 202 GLY N N 202 113.215 113.215 112.797 0.418 25776 7101 1 9 . 1 1 202 202 GLY C C 202 170.124 170.124 171.941 -1.817 25776 7102 1 9 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.347 4.213 25776 7103 1 9 . 1 1 202 202 GLY H H 202 8.646 8.646 8.551 0.095 25776 7104 1 9 . 1 1 203 203 PHE N N 203 116.782 116.782 115.702 1.080 25776 7105 1 9 . 1 1 203 203 PHE C C 203 174.063 174.063 173.536 0.527 25776 7106 1 9 . 1 1 203 203 PHE CA C 203 56.451 56.451 54.716 1.735 25776 7107 1 9 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.233 4.465 25776 7108 1 9 . 1 1 203 203 PHE H H 203 8.482 8.482 7.864 0.618 25776 7109 1 9 . 1 1 204 204 GLY N N 204 105.936 105.936 108.447 -2.511 25776 7110 1 9 . 1 1 204 204 GLY C C 204 171.097 171.097 171.582 -0.485 25776 7111 1 9 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.043 3.431 25776 7112 1 9 . 1 1 204 204 GLY H H 204 9.003 9.003 8.043 0.960 25776 7113 1 9 . 1 1 205 205 TYR N N 205 121.196 121.196 120.769 0.427 25776 7114 1 9 . 1 1 205 205 TYR C C 205 172.994 172.994 172.935 0.059 25776 7115 1 9 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.520 1.166 25776 7116 1 9 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.788 2.402 25776 7117 1 9 . 1 1 205 205 TYR H H 205 9.413 9.413 9.276 0.137 25776 7118 1 9 . 1 1 206 206 LYS N N 206 126.788 126.788 123.956 2.832 25776 7119 1 9 . 1 1 206 206 LYS C C 206 174.161 174.161 174.507 -0.346 25776 7120 1 9 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.489 -0.059 25776 7121 1 9 . 1 1 206 206 LYS CB C 206 35.425 35.425 32.764 2.660 25776 7122 1 9 . 1 1 206 206 LYS H H 206 8.364 8.364 7.769 0.595 25776 7123 1 9 . 1 1 207 207 PHE N N 207 126.168 126.168 123.809 2.359 25776 7124 1 9 . 1 1 207 207 PHE C C 207 175.094 175.094 175.271 -0.177 25776 7125 1 9 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.988 0.702 25776 7126 1 9 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.498 1.165 25776 7127 1 9 . 1 1 207 207 PHE H H 207 9.308 9.308 7.910 1.398 25776 7128 1 9 . 1 1 208 208 LEU N N 208 123.199 123.199 125.296 -2.097 25776 7129 1 9 . 1 1 208 208 LEU C C 208 176.580 176.580 177.586 -1.006 25776 7130 1 9 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.930 0.541 25776 7131 1 9 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.089 1.624 25776 7132 1 9 . 1 1 208 208 LEU H H 208 8.376 8.376 8.118 0.258 25776 7133 1 9 . 1 1 209 209 GLU N N 209 121.960 121.960 121.488 0.472 25776 7134 1 9 . 1 1 209 209 GLU C C 209 176.226 176.226 176.008 0.218 25776 7135 1 9 . 1 1 209 209 GLU CA C 209 57.732 57.732 57.231 0.501 25776 7136 1 9 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.198 1.255 25776 7137 1 9 . 1 1 209 209 GLU H H 209 8.500 8.500 9.019 -0.519 25776 7138 1 10 . 1 1 2 2 HIS C C 2 175.393 175.393 174.287 1.106 25776 7139 1 10 . 1 1 2 2 HIS CA C 2 53.804 53.804 56.805 -3.001 25776 7140 1 10 . 1 1 2 2 HIS CB C 2 30.780 30.780 32.191 -1.411 25776 7141 1 10 . 1 1 3 3 LYS N N 3 121.908 121.908 117.767 4.141 25776 7142 1 10 . 1 1 3 3 LYS C C 3 173.475 173.475 174.540 -1.065 25776 7143 1 10 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.786 -0.759 25776 7144 1 10 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.636 -0.436 25776 7145 1 10 . 1 1 3 3 LYS H H 3 8.608 8.608 8.127 0.481 25776 7146 1 10 . 1 1 4 4 ALA N N 4 120.771 120.771 123.010 -2.239 25776 7147 1 10 . 1 1 4 4 ALA C C 4 178.118 178.118 177.932 0.186 25776 7148 1 10 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.293 1.146 25776 7149 1 10 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.805 -0.756 25776 7150 1 10 . 1 1 4 4 ALA H H 4 8.581 8.581 8.400 0.181 25776 7151 1 10 . 1 1 5 5 GLY N N 5 112.807 112.807 111.700 1.107 25776 7152 1 10 . 1 1 5 5 GLY C C 5 173.788 173.788 174.659 -0.871 25776 7153 1 10 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.539 0.281 25776 7154 1 10 . 1 1 5 5 GLY H H 5 9.170 9.170 8.642 0.528 25776 7155 1 10 . 1 1 6 6 ASP N N 6 121.504 121.504 121.666 -0.162 25776 7156 1 10 . 1 1 6 6 ASP C C 6 174.307 174.307 174.996 -0.689 25776 7157 1 10 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.684 0.133 25776 7158 1 10 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.847 -0.272 25776 7159 1 10 . 1 1 6 6 ASP H H 6 7.619 7.619 7.690 -0.071 25776 7160 1 10 . 1 1 7 7 PHE N N 7 121.212 121.212 116.625 4.587 25776 7161 1 10 . 1 1 7 7 PHE C C 7 174.030 174.030 173.162 0.868 25776 7162 1 10 . 1 1 7 7 PHE CA C 7 56.601 56.601 55.087 1.514 25776 7163 1 10 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.797 2.280 25776 7164 1 10 . 1 1 7 7 PHE H H 7 8.285 8.285 8.362 -0.077 25776 7165 1 10 . 1 1 8 8 ILE N N 8 128.185 128.185 121.513 6.672 25776 7166 1 10 . 1 1 8 8 ILE C C 8 173.961 173.961 174.168 -0.207 25776 7167 1 10 . 1 1 8 8 ILE CA C 8 61.723 61.723 60.058 1.665 25776 7168 1 10 . 1 1 8 8 ILE CB C 8 43.669 43.669 42.111 1.558 25776 7169 1 10 . 1 1 8 8 ILE H H 8 9.245 9.245 8.888 0.357 25776 7170 1 10 . 1 1 9 9 ILE N N 9 125.624 125.624 125.500 0.124 25776 7171 1 10 . 1 1 9 9 ILE C C 9 173.731 173.731 174.584 -0.853 25776 7172 1 10 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.322 -0.032 25776 7173 1 10 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.124 2.967 25776 7174 1 10 . 1 1 9 9 ILE H H 9 8.628 8.628 8.542 0.086 25776 7175 1 10 . 1 1 10 10 ARG N N 10 125.025 125.025 124.546 0.479 25776 7176 1 10 . 1 1 10 10 ARG C C 10 175.074 175.074 174.496 0.578 25776 7177 1 10 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.668 -0.174 25776 7178 1 10 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.897 -2.125 25776 7179 1 10 . 1 1 10 10 ARG H H 10 9.225 9.225 9.057 0.168 25776 7180 1 10 . 1 1 11 11 GLY N N 11 106.141 106.141 109.500 -3.359 25776 7181 1 10 . 1 1 11 11 GLY C C 11 171.959 171.959 172.306 -0.347 25776 7182 1 10 . 1 1 11 11 GLY CA C 11 45.207 45.207 46.016 -0.808 25776 7183 1 10 . 1 1 11 11 GLY H H 11 8.885 8.885 8.163 0.722 25776 7184 1 10 . 1 1 12 12 GLY N N 12 107.818 107.818 107.924 -0.106 25776 7185 1 10 . 1 1 12 12 GLY C C 12 171.465 171.465 171.611 -0.146 25776 7186 1 10 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.434 2.878 25776 7187 1 10 . 1 1 12 12 GLY H H 12 8.433 8.433 7.745 0.688 25776 7188 1 10 . 1 1 13 13 PHE N N 13 120.233 120.233 119.787 0.446 25776 7189 1 10 . 1 1 13 13 PHE C C 13 174.056 174.056 175.640 -1.584 25776 7190 1 10 . 1 1 13 13 PHE CA C 13 57.151 57.151 58.343 -1.192 25776 7191 1 10 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.685 1.940 25776 7192 1 10 . 1 1 13 13 PHE H H 13 8.606 8.606 8.359 0.247 25776 7193 1 10 . 1 1 18 18 PRO C C 18 176.552 176.552 176.207 0.345 25776 7194 1 10 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.324 0.767 25776 7195 1 10 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.300 1.349 25776 7196 1 10 . 1 1 19 19 ASP N N 19 121.094 121.094 120.810 0.284 25776 7197 1 10 . 1 1 19 19 ASP C C 19 176.047 176.047 175.775 0.272 25776 7198 1 10 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.049 1.225 25776 7199 1 10 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.151 0.891 25776 7200 1 10 . 1 1 19 19 ASP H H 19 8.372 8.372 8.721 -0.349 25776 7201 1 10 . 1 1 20 20 ASP N N 20 123.179 123.179 118.135 5.044 25776 7202 1 10 . 1 1 20 20 ASP C C 20 176.790 176.790 176.895 -0.105 25776 7203 1 10 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.078 0.017 25776 7204 1 10 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.913 0.921 25776 7205 1 10 . 1 1 20 20 ASP H H 20 8.357 8.357 7.954 0.403 25776 7206 1 10 . 1 1 21 21 SER N N 21 117.319 117.319 115.012 2.307 25776 7207 1 10 . 1 1 21 21 SER C C 21 175.218 175.218 174.422 0.796 25776 7208 1 10 . 1 1 21 21 SER CA C 21 60.134 60.134 57.781 2.353 25776 7209 1 10 . 1 1 21 21 SER CB C 21 64.701 64.701 63.940 0.761 25776 7210 1 10 . 1 1 21 21 SER H H 21 8.398 8.398 8.201 0.197 25776 7211 1 10 . 1 1 22 22 SER N N 22 117.994 117.994 120.655 -2.661 25776 7212 1 10 . 1 1 22 22 SER C C 22 174.877 174.877 174.439 0.438 25776 7213 1 10 . 1 1 22 22 SER CA C 22 59.839 59.839 58.291 1.548 25776 7214 1 10 . 1 1 22 22 SER CB C 22 64.669 64.669 64.043 0.626 25776 7215 1 10 . 1 1 22 22 SER H H 22 8.314 8.314 8.644 -0.330 25776 7216 1 10 . 1 1 23 23 SER N N 23 117.809 117.809 119.560 -1.751 25776 7217 1 10 . 1 1 23 23 SER C C 23 174.298 174.298 173.704 0.594 25776 7218 1 10 . 1 1 23 23 SER CA C 23 59.629 59.629 58.434 1.195 25776 7219 1 10 . 1 1 23 23 SER CB C 23 64.802 64.802 63.191 1.611 25776 7220 1 10 . 1 1 23 23 SER H H 23 8.143 8.143 8.080 0.063 25776 7221 1 10 . 1 1 24 24 ASP N N 24 122.829 122.829 124.652 -1.823 25776 7222 1 10 . 1 1 24 24 ASP C C 24 176.250 176.250 174.673 1.577 25776 7223 1 10 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.687 1.806 25776 7224 1 10 . 1 1 24 24 ASP CB C 24 41.841 41.841 44.051 -2.210 25776 7225 1 10 . 1 1 24 24 ASP H H 24 8.234 8.234 8.117 0.117 25776 7226 1 10 . 1 1 25 25 ILE N N 25 120.717 120.717 123.659 -2.942 25776 7227 1 10 . 1 1 25 25 ILE C C 25 176.204 176.204 174.989 1.215 25776 7228 1 10 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.180 1.376 25776 7229 1 10 . 1 1 25 25 ILE CB C 25 39.668 39.668 37.921 1.747 25776 7230 1 10 . 1 1 25 25 ILE H H 25 7.884 7.884 8.451 -0.567 25776 7231 1 10 . 1 1 26 26 LYS N N 26 124.527 124.527 121.260 3.267 25776 7232 1 10 . 1 1 26 26 LYS C C 26 176.616 176.616 175.435 1.181 25776 7233 1 10 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.964 0.228 25776 7234 1 10 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.276 0.533 25776 7235 1 10 . 1 1 26 26 LYS H H 26 8.164 8.164 7.991 0.173 25776 7236 1 10 . 1 1 27 27 LEU N N 27 123.292 123.292 123.003 0.289 25776 7237 1 10 . 1 1 27 27 LEU C C 27 177.077 177.077 176.159 0.918 25776 7238 1 10 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.646 1.527 25776 7239 1 10 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.148 1.169 25776 7240 1 10 . 1 1 27 27 LEU H H 27 8.100 8.100 8.112 -0.012 25776 7241 1 10 . 1 1 28 28 ASP N N 28 121.059 121.059 123.310 -2.251 25776 7242 1 10 . 1 1 28 28 ASP C C 28 176.929 176.929 177.268 -0.339 25776 7243 1 10 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.104 1.244 25776 7244 1 10 . 1 1 28 28 ASP CB C 28 42.075 42.075 42.991 -0.916 25776 7245 1 10 . 1 1 28 28 ASP H H 28 8.209 8.209 8.809 -0.600 25776 7246 1 10 . 1 1 29 29 GLY N N 29 110.032 110.032 109.126 0.906 25776 7247 1 10 . 1 1 29 29 GLY C C 29 174.364 174.364 173.237 1.127 25776 7248 1 10 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.462 2.416 25776 7249 1 10 . 1 1 29 29 GLY H H 29 8.274 8.274 8.092 0.182 25776 7250 1 10 . 1 1 30 30 ALA N N 30 124.102 124.102 122.312 1.790 25776 7251 1 10 . 1 1 30 30 ALA C C 30 178.005 178.005 176.494 1.511 25776 7252 1 10 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.558 1.266 25776 7253 1 10 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.649 0.478 25776 7254 1 10 . 1 1 30 30 ALA H H 30 8.085 8.085 8.331 -0.246 25776 7255 1 10 . 1 1 31 31 LYS N N 31 119.810 119.810 120.679 -0.869 25776 7256 1 10 . 1 1 31 31 LYS C C 31 176.650 176.650 176.586 0.064 25776 7257 1 10 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.461 1.011 25776 7258 1 10 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.033 0.915 25776 7259 1 10 . 1 1 31 31 LYS H H 31 8.075 8.075 8.340 -0.265 25776 7260 1 10 . 1 1 32 32 GLN N N 32 121.045 121.045 121.162 -0.117 25776 7261 1 10 . 1 1 32 32 GLN C C 32 175.862 175.862 176.219 -0.357 25776 7262 1 10 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.333 1.606 25776 7263 1 10 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.710 0.484 25776 7264 1 10 . 1 1 32 32 GLN H H 32 8.182 8.182 8.105 0.077 25776 7265 1 10 . 1 1 33 33 ARG N N 33 122.683 122.683 121.380 1.303 25776 7266 1 10 . 1 1 33 33 ARG C C 33 176.492 176.492 176.595 -0.103 25776 7267 1 10 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.359 0.723 25776 7268 1 10 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.754 1.198 25776 7269 1 10 . 1 1 33 33 ARG H H 33 8.288 8.288 8.701 -0.413 25776 7270 1 10 . 1 1 36 36 LYS C C 36 176.028 176.028 175.379 0.649 25776 7271 1 10 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.979 0.244 25776 7272 1 10 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.498 1.764 25776 7273 1 10 . 1 1 37 37 ALA N N 37 125.793 125.793 128.967 -3.174 25776 7274 1 10 . 1 1 37 37 ALA C C 37 177.567 177.567 177.630 -0.063 25776 7275 1 10 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.694 1.874 25776 7276 1 10 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.245 1.163 25776 7277 1 10 . 1 1 37 37 ALA H H 37 8.329 8.329 8.506 -0.177 25776 7278 1 10 . 1 1 38 38 THR N N 38 113.398 113.398 114.824 -1.426 25776 7279 1 10 . 1 1 38 38 THR C C 38 174.556 174.556 174.548 0.008 25776 7280 1 10 . 1 1 38 38 THR CA C 38 62.551 62.551 62.709 -0.158 25776 7281 1 10 . 1 1 38 38 THR CB C 38 71.054 71.054 69.072 1.982 25776 7282 1 10 . 1 1 38 38 THR H H 38 8.007 8.007 8.574 -0.567 25776 7283 1 10 . 1 1 39 39 VAL N N 39 120.865 120.865 113.808 7.057 25776 7284 1 10 . 1 1 39 39 VAL C C 39 175.523 175.523 174.449 1.074 25776 7285 1 10 . 1 1 39 39 VAL CA C 39 63.100 63.100 61.679 1.421 25776 7286 1 10 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.565 1.480 25776 7287 1 10 . 1 1 39 39 VAL H H 39 8.043 8.043 7.350 0.693 25776 7288 1 10 . 1 1 40 40 ASP N N 40 124.053 124.053 120.651 3.402 25776 7289 1 10 . 1 1 40 40 ASP C C 40 176.132 176.132 175.870 0.262 25776 7290 1 10 . 1 1 40 40 ASP CA C 40 55.281 55.281 53.908 1.373 25776 7291 1 10 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.081 1.137 25776 7292 1 10 . 1 1 40 40 ASP H H 40 8.333 8.333 8.450 -0.117 25776 7293 1 10 . 1 1 41 41 SER N N 41 115.655 115.655 115.909 -0.254 25776 7294 1 10 . 1 1 41 41 SER C C 41 174.147 174.147 174.112 0.035 25776 7295 1 10 . 1 1 41 41 SER CA C 41 59.367 59.367 58.355 1.012 25776 7296 1 10 . 1 1 41 41 SER CB C 41 65.027 65.027 63.641 1.386 25776 7297 1 10 . 1 1 41 41 SER H H 41 8.142 8.142 7.706 0.436 25776 7298 1 10 . 1 1 42 42 ASP N N 42 123.005 123.005 126.079 -3.074 25776 7299 1 10 . 1 1 42 42 ASP C C 42 176.578 176.578 175.310 1.268 25776 7300 1 10 . 1 1 42 42 ASP CA C 42 55.439 55.439 55.049 0.390 25776 7301 1 10 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.164 1.240 25776 7302 1 10 . 1 1 42 42 ASP H H 42 8.433 8.433 8.960 -0.527 25776 7303 1 10 . 1 1 43 43 THR C C 43 176.244 176.244 174.512 1.732 25776 7304 1 10 . 1 1 43 43 THR CA C 43 62.772 62.772 61.859 0.913 25776 7305 1 10 . 1 1 43 43 THR CB C 43 71.018 71.018 68.899 2.119 25776 7306 1 10 . 1 1 44 44 GLN N N 44 123.824 123.824 121.618 2.206 25776 7307 1 10 . 1 1 44 44 GLN C C 44 177.061 177.061 174.557 2.504 25776 7308 1 10 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.776 1.503 25776 7309 1 10 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.652 4.010 25776 7310 1 10 . 1 1 44 44 GLN H H 44 8.270 8.270 7.508 0.762 25776 7311 1 10 . 1 1 45 45 LEU N N 45 122.159 122.159 125.659 -3.500 25776 7312 1 10 . 1 1 45 45 LEU C C 45 176.419 176.419 176.277 0.142 25776 7313 1 10 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.201 1.917 25776 7314 1 10 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.266 -0.645 25776 7315 1 10 . 1 1 45 45 LEU H H 45 7.940 7.940 8.606 -0.666 25776 7316 1 10 . 1 1 46 46 GLY N N 46 107.861 107.861 110.240 -2.379 25776 7317 1 10 . 1 1 46 46 GLY C C 46 171.538 171.538 171.912 -0.374 25776 7318 1 10 . 1 1 46 46 GLY CA C 46 44.775 44.775 43.899 0.876 25776 7319 1 10 . 1 1 46 46 GLY H H 46 8.566 8.566 8.092 0.474 25776 7320 1 10 . 1 1 47 47 LEU N N 47 122.959 122.959 124.287 -1.328 25776 7321 1 10 . 1 1 47 47 LEU C C 47 175.422 175.422 174.958 0.464 25776 7322 1 10 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.309 0.022 25776 7323 1 10 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.867 1.476 25776 7324 1 10 . 1 1 47 47 LEU H H 47 8.457 8.457 7.819 0.638 25776 7325 1 10 . 1 1 48 48 THR N N 48 112.144 112.144 117.131 -4.987 25776 7326 1 10 . 1 1 48 48 THR C C 48 172.347 172.347 172.792 -0.445 25776 7327 1 10 . 1 1 48 48 THR CA C 48 59.573 59.573 60.806 -1.233 25776 7328 1 10 . 1 1 48 48 THR CB C 48 72.843 72.843 71.103 1.740 25776 7329 1 10 . 1 1 48 48 THR H H 48 8.814 8.814 9.261 -0.447 25776 7330 1 10 . 1 1 49 49 PHE N N 49 118.787 118.787 124.168 -5.381 25776 7331 1 10 . 1 1 49 49 PHE C C 49 174.623 174.623 175.299 -0.676 25776 7332 1 10 . 1 1 49 49 PHE CA C 49 55.737 55.737 55.898 -0.161 25776 7333 1 10 . 1 1 49 49 PHE CB C 49 42.986 42.986 43.209 -0.223 25776 7334 1 10 . 1 1 49 49 PHE H H 49 8.455 8.455 8.454 0.001 25776 7335 1 10 . 1 1 50 50 THR N N 50 121.279 121.279 118.658 2.621 25776 7336 1 10 . 1 1 50 50 THR C C 50 173.272 173.272 173.535 -0.263 25776 7337 1 10 . 1 1 50 50 THR CA C 50 63.315 63.315 60.811 2.504 25776 7338 1 10 . 1 1 50 50 THR CB C 50 74.327 74.327 70.917 3.410 25776 7339 1 10 . 1 1 50 50 THR H H 50 9.372 9.372 9.398 -0.026 25776 7340 1 10 . 1 1 51 51 TYR N N 51 126.005 126.005 126.492 -0.487 25776 7341 1 10 . 1 1 51 51 TYR C C 51 174.837 174.837 175.926 -1.089 25776 7342 1 10 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.343 0.517 25776 7343 1 10 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.074 3.373 25776 7344 1 10 . 1 1 51 51 TYR H H 51 9.157 9.157 8.778 0.379 25776 7345 1 10 . 1 1 52 52 MET N N 52 127.601 127.601 125.083 2.518 25776 7346 1 10 . 1 1 52 52 MET C C 52 174.466 174.466 175.115 -0.649 25776 7347 1 10 . 1 1 52 52 MET CA C 52 53.171 53.171 56.828 -3.657 25776 7348 1 10 . 1 1 52 52 MET CB C 52 29.467 29.467 32.878 -3.411 25776 7349 1 10 . 1 1 52 52 MET H H 52 7.998 7.998 9.000 -1.002 25776 7350 1 10 . 1 1 53 53 PHE N N 53 123.918 123.918 125.977 -2.059 25776 7351 1 10 . 1 1 53 53 PHE C C 53 173.685 173.685 175.543 -1.858 25776 7352 1 10 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.747 0.867 25776 7353 1 10 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.534 -2.423 25776 7354 1 10 . 1 1 53 53 PHE H H 53 7.762 7.762 8.169 -0.407 25776 7355 1 10 . 1 1 54 54 ALA N N 54 125.892 125.892 123.255 2.637 25776 7356 1 10 . 1 1 54 54 ALA C C 54 174.976 174.976 178.330 -3.354 25776 7357 1 10 . 1 1 54 54 ALA CA C 54 51.443 51.443 54.052 -2.609 25776 7358 1 10 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.499 4.035 25776 7359 1 10 . 1 1 54 54 ALA H H 54 8.396 8.396 8.761 -0.365 25776 7360 1 10 . 1 1 55 55 ASP N N 55 118.951 118.951 120.176 -1.225 25776 7361 1 10 . 1 1 55 55 ASP C C 55 174.777 174.777 175.803 -1.026 25776 7362 1 10 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.952 2.187 25776 7363 1 10 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.270 0.678 25776 7364 1 10 . 1 1 55 55 ASP H H 55 8.632 8.632 8.872 -0.240 25776 7365 1 10 . 1 1 56 56 LYS N N 56 106.363 106.363 112.992 -6.629 25776 7366 1 10 . 1 1 56 56 LYS C C 56 174.930 174.930 175.166 -0.236 25776 7367 1 10 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.219 -0.349 25776 7368 1 10 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.299 4.138 25776 7369 1 10 . 1 1 56 56 LYS H H 56 7.300 7.300 8.322 -1.022 25776 7370 1 10 . 1 1 57 57 TRP N N 57 115.784 115.784 122.799 -7.015 25776 7371 1 10 . 1 1 57 57 TRP C C 57 173.960 173.960 177.408 -3.448 25776 7372 1 10 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.711 -1.754 25776 7373 1 10 . 1 1 57 57 TRP CB C 57 35.176 35.176 31.523 3.653 25776 7374 1 10 . 1 1 57 57 TRP H H 57 6.612 6.612 7.896 -1.284 25776 7375 1 10 . 1 1 58 58 GLY N N 58 107.657 107.657 105.206 2.451 25776 7376 1 10 . 1 1 58 58 GLY C C 58 172.720 172.720 171.949 0.771 25776 7377 1 10 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.676 0.108 25776 7378 1 10 . 1 1 58 58 GLY H H 58 9.271 9.271 8.435 0.836 25776 7379 1 10 . 1 1 59 59 VAL N N 59 118.434 118.434 119.256 -0.822 25776 7380 1 10 . 1 1 59 59 VAL C C 59 172.973 172.973 175.041 -2.068 25776 7381 1 10 . 1 1 59 59 VAL CA C 59 60.638 60.638 59.940 0.698 25776 7382 1 10 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.650 3.386 25776 7383 1 10 . 1 1 59 59 VAL H H 59 9.080 9.080 8.174 0.906 25776 7384 1 10 . 1 1 60 60 GLU N N 60 127.915 127.915 129.264 -1.349 25776 7385 1 10 . 1 1 60 60 GLU C C 60 174.464 174.464 175.141 -0.677 25776 7386 1 10 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.761 -1.010 25776 7387 1 10 . 1 1 60 60 GLU CB C 60 36.042 36.042 32.137 3.905 25776 7388 1 10 . 1 1 60 60 GLU H H 60 9.431 9.431 8.915 0.516 25776 7389 1 10 . 1 1 61 61 LEU N N 61 127.764 127.764 127.611 0.153 25776 7390 1 10 . 1 1 61 61 LEU C C 61 174.746 174.746 175.869 -1.123 25776 7391 1 10 . 1 1 61 61 LEU CA C 61 53.991 53.991 52.864 1.127 25776 7392 1 10 . 1 1 61 61 LEU CB C 61 46.880 46.880 43.007 3.873 25776 7393 1 10 . 1 1 61 61 LEU H H 61 8.730 8.730 8.738 -0.008 25776 7394 1 10 . 1 1 62 62 VAL N N 62 126.465 126.465 123.291 3.174 25776 7395 1 10 . 1 1 62 62 VAL C C 62 174.453 174.453 174.714 -0.261 25776 7396 1 10 . 1 1 62 62 VAL CA C 62 62.285 62.285 62.223 0.062 25776 7397 1 10 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.770 2.316 25776 7398 1 10 . 1 1 62 62 VAL H H 62 9.068 9.068 8.284 0.784 25776 7399 1 10 . 1 1 63 63 ALA N N 63 130.444 130.444 128.408 2.036 25776 7400 1 10 . 1 1 63 63 ALA C C 63 174.030 174.030 175.435 -1.405 25776 7401 1 10 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.839 -0.589 25776 7402 1 10 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.697 1.806 25776 7403 1 10 . 1 1 63 63 ALA H H 63 9.124 9.124 8.490 0.634 25776 7404 1 10 . 1 1 64 64 ALA N N 64 121.285 121.285 127.533 -6.248 25776 7405 1 10 . 1 1 64 64 ALA C C 64 176.843 176.843 177.391 -0.548 25776 7406 1 10 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.663 0.507 25776 7407 1 10 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.583 3.589 25776 7408 1 10 . 1 1 64 64 ALA H H 64 7.995 7.995 8.440 -0.445 25776 7409 1 10 . 1 1 65 65 THR N N 65 109.734 109.734 116.850 -7.116 25776 7410 1 10 . 1 1 65 65 THR C C 65 176.739 176.739 173.445 3.294 25776 7411 1 10 . 1 1 65 65 THR CA C 65 61.660 61.660 58.917 2.743 25776 7412 1 10 . 1 1 65 65 THR CB C 65 68.341 68.341 69.397 -1.056 25776 7413 1 10 . 1 1 65 65 THR H H 65 8.108 8.108 7.726 0.382 25776 7414 1 10 . 1 1 67 67 PHE N N 67 123.676 123.676 118.198 5.478 25776 7415 1 10 . 1 1 67 67 PHE CA C 67 56.849 56.849 60.585 -3.736 25776 7416 1 10 . 1 1 67 67 PHE H H 67 8.382 8.382 8.513 -0.131 25776 7417 1 10 . 1 1 74 74 LYS C C 74 177.704 177.704 176.639 1.065 25776 7418 1 10 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.786 -0.758 25776 7419 1 10 . 1 1 74 74 LYS CB C 74 34.062 34.062 34.165 -0.103 25776 7420 1 10 . 1 1 75 75 GLY N N 75 108.841 108.841 108.718 0.123 25776 7421 1 10 . 1 1 75 75 GLY C C 75 174.405 174.405 173.046 1.359 25776 7422 1 10 . 1 1 75 75 GLY CA C 75 46.712 46.712 45.396 1.316 25776 7423 1 10 . 1 1 75 75 GLY H H 75 8.069 8.069 7.936 0.133 25776 7424 1 10 . 1 1 76 76 LEU N N 76 120.093 120.093 122.447 -2.354 25776 7425 1 10 . 1 1 76 76 LEU C C 76 176.997 176.997 176.806 0.191 25776 7426 1 10 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.772 1.408 25776 7427 1 10 . 1 1 76 76 LEU CB C 76 45.997 45.997 41.440 4.557 25776 7428 1 10 . 1 1 76 76 LEU H H 76 7.623 7.623 8.387 -0.764 25776 7429 1 10 . 1 1 79 79 GLY C C 79 175.675 175.675 173.951 1.724 25776 7430 1 10 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.177 1.922 25776 7431 1 10 . 1 1 80 80 LEU N N 80 130.062 130.062 119.777 10.285 25776 7432 1 10 . 1 1 80 80 LEU C C 80 176.062 176.062 177.182 -1.120 25776 7433 1 10 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.628 -0.224 25776 7434 1 10 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.113 -0.107 25776 7435 1 10 . 1 1 80 80 LEU H H 80 9.441 9.441 7.568 1.873 25776 7436 1 10 . 1 1 81 81 ASP N N 81 124.816 124.816 119.390 5.426 25776 7437 1 10 . 1 1 81 81 ASP C C 81 178.992 178.992 176.542 2.450 25776 7438 1 10 . 1 1 81 81 ASP CA C 81 55.769 55.769 55.239 0.530 25776 7439 1 10 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.531 0.416 25776 7440 1 10 . 1 1 81 81 ASP H H 81 7.854 7.854 8.087 -0.233 25776 7441 1 10 . 1 1 91 91 PRO C C 91 175.297 175.297 175.097 0.200 25776 7442 1 10 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.584 -0.751 25776 7443 1 10 . 1 1 91 91 PRO CB C 91 33.531 33.531 31.658 1.873 25776 7444 1 10 . 1 1 92 92 ALA N N 92 123.521 123.521 127.234 -3.713 25776 7445 1 10 . 1 1 92 92 ALA C C 92 175.643 175.643 175.348 0.295 25776 7446 1 10 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.859 1.815 25776 7447 1 10 . 1 1 92 92 ALA CB C 92 22.725 22.725 21.971 0.754 25776 7448 1 10 . 1 1 92 92 ALA H H 92 8.829 8.829 8.013 0.816 25776 7449 1 10 . 1 1 93 93 THR N N 93 117.599 117.599 120.402 -2.803 25776 7450 1 10 . 1 1 93 93 THR C C 93 171.440 171.440 173.641 -2.201 25776 7451 1 10 . 1 1 93 93 THR CA C 93 62.066 62.066 61.334 0.732 25776 7452 1 10 . 1 1 93 93 THR CB C 93 72.352 72.352 71.444 0.908 25776 7453 1 10 . 1 1 93 93 THR H H 93 8.237 8.237 7.862 0.375 25776 7454 1 10 . 1 1 94 94 LEU N N 94 129.530 129.530 123.989 5.541 25776 7455 1 10 . 1 1 94 94 LEU C C 94 174.995 174.995 174.307 0.688 25776 7456 1 10 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.999 0.195 25776 7457 1 10 . 1 1 94 94 LEU CB C 94 47.165 47.165 43.738 3.427 25776 7458 1 10 . 1 1 94 94 LEU H H 94 8.732 8.732 8.247 0.485 25776 7459 1 10 . 1 1 95 95 LEU N N 95 124.181 124.181 122.433 1.748 25776 7460 1 10 . 1 1 95 95 LEU C C 95 175.270 175.270 174.847 0.423 25776 7461 1 10 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.080 1.454 25776 7462 1 10 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.316 0.356 25776 7463 1 10 . 1 1 95 95 LEU H H 95 9.485 9.485 8.650 0.835 25776 7464 1 10 . 1 1 96 96 LEU N N 96 123.444 123.444 123.319 0.125 25776 7465 1 10 . 1 1 96 96 LEU C C 96 174.997 174.997 175.567 -0.570 25776 7466 1 10 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.063 1.250 25776 7467 1 10 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.856 1.292 25776 7468 1 10 . 1 1 96 96 LEU H H 96 8.836 8.836 8.186 0.650 25776 7469 1 10 . 1 1 97 97 GLN N N 97 121.545 121.545 124.696 -3.151 25776 7470 1 10 . 1 1 97 97 GLN C C 97 174.324 174.324 174.356 -0.032 25776 7471 1 10 . 1 1 97 97 GLN CA C 97 55.388 55.388 53.387 2.001 25776 7472 1 10 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.690 5.834 25776 7473 1 10 . 1 1 97 97 GLN H H 97 9.566 9.566 9.200 0.366 25776 7474 1 10 . 1 1 98 98 TYR N N 98 122.246 122.246 113.932 8.314 25776 7475 1 10 . 1 1 98 98 TYR C C 98 173.409 173.409 174.159 -0.750 25776 7476 1 10 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.034 0.621 25776 7477 1 10 . 1 1 98 98 TYR CB C 98 43.208 43.208 40.915 2.293 25776 7478 1 10 . 1 1 98 98 TYR H H 98 9.053 9.053 8.325 0.728 25776 7479 1 10 . 1 1 99 99 TYR N N 99 126.872 126.872 121.114 5.758 25776 7480 1 10 . 1 1 99 99 TYR C C 99 175.310 175.310 175.460 -0.150 25776 7481 1 10 . 1 1 99 99 TYR CA C 99 54.756 54.756 56.528 -1.772 25776 7482 1 10 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.043 1.592 25776 7483 1 10 . 1 1 99 99 TYR H H 99 8.344 8.344 8.733 -0.389 25776 7484 1 10 . 1 1 100 100 PRO C C 100 178.304 178.304 177.201 1.103 25776 7485 1 10 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.043 0.367 25776 7486 1 10 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.301 0.806 25776 7487 1 10 . 1 1 101 101 MET N N 101 114.703 114.703 116.112 -1.409 25776 7488 1 10 . 1 1 101 101 MET C C 101 178.218 178.218 175.055 3.163 25776 7489 1 10 . 1 1 101 101 MET CA C 101 54.147 54.147 54.823 -0.676 25776 7490 1 10 . 1 1 101 101 MET CB C 101 30.956 30.956 33.208 -2.252 25776 7491 1 10 . 1 1 101 101 MET H H 101 9.432 9.432 8.389 1.043 25776 7492 1 10 . 1 1 102 102 GLY N N 102 117.671 117.671 108.360 9.311 25776 7493 1 10 . 1 1 102 102 GLY C C 102 175.611 175.611 174.717 0.894 25776 7494 1 10 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.177 2.275 25776 7495 1 10 . 1 1 102 102 GLY H H 102 8.671 8.671 7.609 1.062 25776 7496 1 10 . 1 1 103 103 GLY N N 103 111.298 111.298 113.157 -1.859 25776 7497 1 10 . 1 1 103 103 GLY C C 103 174.054 174.054 173.943 0.111 25776 7498 1 10 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.935 1.885 25776 7499 1 10 . 1 1 103 103 GLY H H 103 9.436 9.436 7.947 1.489 25776 7500 1 10 . 1 1 104 104 THR N N 104 109.330 109.330 114.742 -5.412 25776 7501 1 10 . 1 1 104 104 THR C C 104 174.248 174.248 173.846 0.402 25776 7502 1 10 . 1 1 104 104 THR CA C 104 61.454 61.454 60.055 1.399 25776 7503 1 10 . 1 1 104 104 THR CB C 104 72.711 72.711 70.506 2.205 25776 7504 1 10 . 1 1 104 104 THR H H 104 7.321 7.321 7.841 -0.520 25776 7505 1 10 . 1 1 105 105 ASN C C 105 175.032 175.032 175.181 -0.149 25776 7506 1 10 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.379 0.034 25776 7507 1 10 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.375 0.468 25776 7508 1 10 . 1 1 106 106 SER N N 106 113.116 113.116 114.882 -1.766 25776 7509 1 10 . 1 1 106 106 SER C C 106 175.961 175.961 174.274 1.687 25776 7510 1 10 . 1 1 106 106 SER CA C 106 59.289 59.289 57.965 1.324 25776 7511 1 10 . 1 1 106 106 SER CB C 106 65.208 65.208 63.765 1.443 25776 7512 1 10 . 1 1 106 106 SER H H 106 7.487 7.487 7.513 -0.026 25776 7513 1 10 . 1 1 107 107 ALA N N 107 132.317 132.317 124.049 8.268 25776 7514 1 10 . 1 1 107 107 ALA C C 107 176.554 176.554 176.931 -0.377 25776 7515 1 10 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.333 2.666 25776 7516 1 10 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.299 0.231 25776 7517 1 10 . 1 1 107 107 ALA H H 107 8.891 8.891 8.352 0.539 25776 7518 1 10 . 1 1 108 108 PHE N N 108 116.265 116.265 114.514 1.751 25776 7519 1 10 . 1 1 108 108 PHE C C 108 174.254 174.254 174.104 0.150 25776 7520 1 10 . 1 1 108 108 PHE CA C 108 56.664 56.664 54.301 2.362 25776 7521 1 10 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.166 1.069 25776 7522 1 10 . 1 1 108 108 PHE H H 108 7.592 7.592 7.157 0.435 25776 7523 1 10 . 1 1 109 109 GLN N N 109 128.401 128.401 121.456 6.945 25776 7524 1 10 . 1 1 109 109 GLN C C 109 172.298 172.298 174.352 -2.054 25776 7525 1 10 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.864 0.073 25776 7526 1 10 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.551 -0.571 25776 7527 1 10 . 1 1 109 109 GLN H H 109 9.095 9.095 8.952 0.143 25776 7528 1 10 . 1 1 110 110 PRO C C 110 175.005 175.005 175.907 -0.902 25776 7529 1 10 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.652 -0.428 25776 7530 1 10 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.374 1.755 25776 7531 1 10 . 1 1 111 111 TYR N N 111 115.731 115.731 119.644 -3.913 25776 7532 1 10 . 1 1 111 111 TYR C C 111 173.783 173.783 173.324 0.459 25776 7533 1 10 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.724 1.349 25776 7534 1 10 . 1 1 111 111 TYR CB C 111 39.435 39.435 41.004 -1.569 25776 7535 1 10 . 1 1 111 111 TYR H H 111 8.510 8.510 8.726 -0.216 25776 7536 1 10 . 1 1 112 112 GLY N N 112 103.737 103.737 106.676 -2.939 25776 7537 1 10 . 1 1 112 112 GLY C C 112 172.014 172.014 172.152 -0.138 25776 7538 1 10 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.848 0.796 25776 7539 1 10 . 1 1 112 112 GLY H H 112 8.149 8.149 8.641 -0.492 25776 7540 1 10 . 1 1 113 113 GLY N N 113 108.372 108.372 109.824 -1.452 25776 7541 1 10 . 1 1 113 113 GLY C C 113 171.486 171.486 171.729 -0.243 25776 7542 1 10 . 1 1 113 113 GLY CA C 113 46.840 46.840 43.489 3.352 25776 7543 1 10 . 1 1 113 113 GLY H H 113 9.028 9.028 9.147 -0.119 25776 7544 1 10 . 1 1 114 114 LEU N N 114 120.469 120.469 120.294 0.175 25776 7545 1 10 . 1 1 114 114 LEU C C 114 175.878 175.878 175.239 0.639 25776 7546 1 10 . 1 1 114 114 LEU CA C 114 54.611 54.611 55.129 -0.518 25776 7547 1 10 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.194 2.784 25776 7548 1 10 . 1 1 114 114 LEU H H 114 8.741 8.741 7.958 0.783 25776 7549 1 10 . 1 1 115 115 GLY N N 115 111.145 111.145 111.302 -0.157 25776 7550 1 10 . 1 1 115 115 GLY C C 115 171.336 171.336 172.201 -0.865 25776 7551 1 10 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.287 2.568 25776 7552 1 10 . 1 1 115 115 GLY H H 115 8.952 8.952 8.101 0.851 25776 7553 1 10 . 1 1 116 116 VAL N N 116 118.641 118.641 117.997 0.644 25776 7554 1 10 . 1 1 116 116 VAL C C 116 172.617 172.617 173.810 -1.193 25776 7555 1 10 . 1 1 116 116 VAL CA C 116 60.716 60.716 60.782 -0.066 25776 7556 1 10 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.507 2.865 25776 7557 1 10 . 1 1 116 116 VAL H H 116 8.844 8.844 7.876 0.968 25776 7558 1 10 . 1 1 117 117 ASN N N 117 123.839 123.839 122.486 1.353 25776 7559 1 10 . 1 1 117 117 ASN C C 117 171.105 171.105 173.288 -2.183 25776 7560 1 10 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.547 0.395 25776 7561 1 10 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.479 3.099 25776 7562 1 10 . 1 1 117 117 ASN H H 117 9.647 9.647 8.448 1.199 25776 7563 1 10 . 1 1 118 118 TYR N N 118 125.160 125.160 120.616 4.544 25776 7564 1 10 . 1 1 118 118 TYR C C 118 174.349 174.349 173.518 0.831 25776 7565 1 10 . 1 1 118 118 TYR CA C 118 56.557 56.557 55.420 1.137 25776 7566 1 10 . 1 1 118 118 TYR CB C 118 42.564 42.564 41.527 1.037 25776 7567 1 10 . 1 1 118 118 TYR H H 118 8.989 8.989 7.590 1.399 25776 7568 1 10 . 1 1 119 119 THR N N 119 124.319 124.319 119.346 4.973 25776 7569 1 10 . 1 1 119 119 THR C C 119 171.231 171.231 173.825 -2.594 25776 7570 1 10 . 1 1 119 119 THR CA C 119 62.951 62.951 61.249 1.702 25776 7571 1 10 . 1 1 119 119 THR CB C 119 72.427 72.427 69.100 3.328 25776 7572 1 10 . 1 1 119 119 THR H H 119 8.806 8.806 7.798 1.008 25776 7573 1 10 . 1 1 120 120 THR N N 120 119.978 119.978 120.189 -0.211 25776 7574 1 10 . 1 1 120 120 THR C C 120 171.174 171.174 172.569 -1.395 25776 7575 1 10 . 1 1 120 120 THR CA C 120 59.197 59.197 59.568 -0.371 25776 7576 1 10 . 1 1 120 120 THR CB C 120 72.088 72.088 70.617 1.471 25776 7577 1 10 . 1 1 120 120 THR H H 120 7.559 7.559 8.002 -0.443 25776 7578 1 10 . 1 1 121 121 PHE C C 121 175.289 175.289 174.065 1.224 25776 7579 1 10 . 1 1 121 121 PHE CB C 121 44.369 44.369 39.975 4.394 25776 7580 1 10 . 1 1 122 122 PHE N N 122 117.578 117.578 121.842 -4.264 25776 7581 1 10 . 1 1 122 122 PHE C C 122 172.555 172.555 176.216 -3.661 25776 7582 1 10 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.909 -2.025 25776 7583 1 10 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.197 1.034 25776 7584 1 10 . 1 1 122 122 PHE H H 122 8.541 8.541 8.786 -0.245 25776 7585 1 10 . 1 1 123 123 ASP N N 123 116.448 116.448 121.387 -4.939 25776 7586 1 10 . 1 1 123 123 ASP C C 123 175.240 175.240 175.446 -0.206 25776 7587 1 10 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.443 1.391 25776 7588 1 10 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.325 -1.480 25776 7589 1 10 . 1 1 123 123 ASP H H 123 8.940 8.940 8.728 0.212 25776 7590 1 10 . 1 1 124 124 GLU C C 124 177.545 177.545 176.474 1.071 25776 7591 1 10 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.372 3.518 25776 7592 1 10 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.848 -1.390 25776 7593 1 10 . 1 1 125 125 ASP N N 125 126.424 126.424 121.286 5.138 25776 7594 1 10 . 1 1 125 125 ASP C C 125 176.191 176.191 176.276 -0.085 25776 7595 1 10 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.357 -0.346 25776 7596 1 10 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.498 2.051 25776 7597 1 10 . 1 1 125 125 ASP H H 125 9.100 9.100 8.143 0.957 25776 7598 1 10 . 1 1 126 126 LEU N N 126 127.990 127.990 120.052 7.938 25776 7599 1 10 . 1 1 126 126 LEU C C 126 175.808 175.808 174.966 0.842 25776 7600 1 10 . 1 1 126 126 LEU CA C 126 56.268 56.268 53.403 2.865 25776 7601 1 10 . 1 1 126 126 LEU CB C 126 44.856 44.856 44.414 0.442 25776 7602 1 10 . 1 1 126 126 LEU H H 126 8.570 8.570 7.853 0.717 25776 7603 1 10 . 1 1 127 127 ALA N N 127 124.126 124.126 124.720 -0.594 25776 7604 1 10 . 1 1 127 127 ALA C C 127 179.833 179.833 176.314 3.519 25776 7605 1 10 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.577 0.144 25776 7606 1 10 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.248 0.811 25776 7607 1 10 . 1 1 127 127 ALA H H 127 7.885 7.885 8.308 -0.423 25776 7608 1 10 . 1 1 129 129 ASN C C 129 176.927 176.927 175.794 1.133 25776 7609 1 10 . 1 1 129 129 ASN CB C 129 37.473 37.473 40.518 -3.045 25776 7610 1 10 . 1 1 130 130 ARG N N 130 117.748 117.748 123.882 -6.134 25776 7611 1 10 . 1 1 130 130 ARG C C 130 179.430 179.430 177.634 1.796 25776 7612 1 10 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.334 -1.491 25776 7613 1 10 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.530 -0.204 25776 7614 1 10 . 1 1 130 130 ARG H H 130 7.435 7.435 8.763 -1.328 25776 7615 1 10 . 1 1 131 131 LYS N N 131 122.261 122.261 120.558 1.703 25776 7616 1 10 . 1 1 131 131 LYS C C 131 180.937 180.937 178.816 2.121 25776 7617 1 10 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.364 2.097 25776 7618 1 10 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.148 0.763 25776 7619 1 10 . 1 1 131 131 LYS H H 131 7.945 7.945 8.155 -0.210 25776 7620 1 10 . 1 1 132 132 ALA N N 132 122.083 122.083 121.247 0.836 25776 7621 1 10 . 1 1 132 132 ALA C C 132 178.748 178.748 179.305 -0.557 25776 7622 1 10 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.557 0.812 25776 7623 1 10 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.203 0.926 25776 7624 1 10 . 1 1 132 132 ALA H H 132 7.770 7.770 8.332 -0.562 25776 7625 1 10 . 1 1 133 133 GLN N N 133 116.102 116.102 116.885 -0.783 25776 7626 1 10 . 1 1 133 133 GLN C C 133 175.525 175.525 176.804 -1.279 25776 7627 1 10 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.154 0.944 25776 7628 1 10 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.794 0.560 25776 7629 1 10 . 1 1 133 133 GLN H H 133 7.302 7.302 8.157 -0.855 25776 7630 1 10 . 1 1 134 134 GLY N N 134 104.444 104.444 104.779 -0.335 25776 7631 1 10 . 1 1 134 134 GLY C C 134 174.460 174.460 174.142 0.318 25776 7632 1 10 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.841 1.041 25776 7633 1 10 . 1 1 134 134 GLY H H 134 7.596 7.596 7.744 -0.148 25776 7634 1 10 . 1 1 135 135 PHE N N 135 119.775 119.775 121.586 -1.811 25776 7635 1 10 . 1 1 135 135 PHE C C 135 174.922 174.922 176.280 -1.358 25776 7636 1 10 . 1 1 135 135 PHE CA C 135 58.894 58.894 57.710 1.184 25776 7637 1 10 . 1 1 135 135 PHE CB C 135 40.291 40.291 40.204 0.087 25776 7638 1 10 . 1 1 135 135 PHE H H 135 7.737 7.737 8.626 -0.889 25776 7639 1 10 . 1 1 136 136 SER N N 136 115.673 115.673 114.628 1.045 25776 7640 1 10 . 1 1 136 136 SER C C 136 174.415 174.415 173.962 0.453 25776 7641 1 10 . 1 1 136 136 SER CA C 136 59.679 59.679 58.106 1.573 25776 7642 1 10 . 1 1 136 136 SER CB C 136 66.246 66.246 63.859 2.386 25776 7643 1 10 . 1 1 136 136 SER H H 136 8.862 8.862 8.464 0.398 25776 7644 1 10 . 1 1 137 137 SER N N 137 114.341 114.341 116.450 -2.109 25776 7645 1 10 . 1 1 137 137 SER C C 137 172.164 172.164 173.122 -0.958 25776 7646 1 10 . 1 1 137 137 SER CA C 137 58.955 58.955 57.553 1.402 25776 7647 1 10 . 1 1 137 137 SER CB C 137 65.592 65.592 64.322 1.270 25776 7648 1 10 . 1 1 137 137 SER H H 137 7.912 7.912 7.911 0.001 25776 7649 1 10 . 1 1 138 138 MET N N 138 120.555 120.555 119.878 0.677 25776 7650 1 10 . 1 1 138 138 MET C C 138 173.189 173.189 175.424 -2.235 25776 7651 1 10 . 1 1 138 138 MET CA C 138 55.879 55.879 53.938 1.941 25776 7652 1 10 . 1 1 138 138 MET CB C 138 36.962 36.962 35.254 1.708 25776 7653 1 10 . 1 1 138 138 MET H H 138 8.461 8.461 8.137 0.324 25776 7654 1 10 . 1 1 141 141 GLN C C 141 176.182 176.182 175.155 1.027 25776 7655 1 10 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.851 2.584 25776 7656 1 10 . 1 1 142 142 ASP N N 142 124.414 124.414 120.061 4.353 25776 7657 1 10 . 1 1 142 142 ASP C C 142 175.702 175.702 174.265 1.437 25776 7658 1 10 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.853 1.454 25776 7659 1 10 . 1 1 142 142 ASP CB C 142 41.738 41.738 40.697 1.041 25776 7660 1 10 . 1 1 142 142 ASP H H 142 8.728 8.728 8.570 0.158 25776 7661 1 10 . 1 1 143 143 SER N N 143 114.920 114.920 118.036 -3.116 25776 7662 1 10 . 1 1 143 143 SER C C 143 172.289 172.289 173.062 -0.773 25776 7663 1 10 . 1 1 143 143 SER CA C 143 57.652 57.652 57.147 0.506 25776 7664 1 10 . 1 1 143 143 SER CB C 143 66.215 66.215 64.879 1.336 25776 7665 1 10 . 1 1 143 143 SER H H 143 8.703 8.703 7.990 0.713 25776 7666 1 10 . 1 1 144 144 TRP N N 144 126.444 126.444 119.507 6.937 25776 7667 1 10 . 1 1 144 144 TRP C C 144 177.307 177.307 176.357 0.950 25776 7668 1 10 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.906 -0.031 25776 7669 1 10 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.953 2.411 25776 7670 1 10 . 1 1 144 144 TRP H H 144 8.101 8.101 8.313 -0.212 25776 7671 1 10 . 1 1 145 145 GLY N N 145 108.757 108.757 105.703 3.054 25776 7672 1 10 . 1 1 145 145 GLY C C 145 171.985 171.985 172.404 -0.419 25776 7673 1 10 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.844 1.704 25776 7674 1 10 . 1 1 145 145 GLY H H 145 8.889 8.889 8.362 0.527 25776 7675 1 10 . 1 1 146 146 LEU N N 146 121.579 121.579 121.496 0.083 25776 7676 1 10 . 1 1 146 146 LEU C C 146 174.909 174.909 176.409 -1.500 25776 7677 1 10 . 1 1 146 146 LEU CA C 146 56.175 56.175 56.640 -0.465 25776 7678 1 10 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.500 2.663 25776 7679 1 10 . 1 1 146 146 LEU H H 146 9.035 9.035 8.496 0.539 25776 7680 1 10 . 1 1 147 147 ALA N N 147 121.342 121.342 123.464 -2.122 25776 7681 1 10 . 1 1 147 147 ALA C C 147 175.588 175.588 175.740 -0.152 25776 7682 1 10 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.739 0.195 25776 7683 1 10 . 1 1 147 147 ALA CB C 147 25.105 25.105 23.104 2.001 25776 7684 1 10 . 1 1 147 147 ALA H H 147 8.123 8.123 8.908 -0.785 25776 7685 1 10 . 1 1 148 148 GLY N N 148 106.598 106.598 105.402 1.196 25776 7686 1 10 . 1 1 148 148 GLY C C 148 171.829 171.829 172.075 -0.246 25776 7687 1 10 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.341 -0.593 25776 7688 1 10 . 1 1 148 148 GLY H H 148 9.216 9.216 8.023 1.193 25776 7689 1 10 . 1 1 149 149 GLU N N 149 122.775 122.775 121.581 1.194 25776 7690 1 10 . 1 1 149 149 GLU C C 149 174.078 174.078 174.524 -0.446 25776 7691 1 10 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.034 0.768 25776 7692 1 10 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.374 4.041 25776 7693 1 10 . 1 1 149 149 GLU H H 149 8.493 8.493 8.732 -0.239 25776 7694 1 10 . 1 1 150 150 LEU N N 150 126.310 126.310 125.649 0.661 25776 7695 1 10 . 1 1 150 150 LEU C C 150 174.309 174.309 174.769 -0.460 25776 7696 1 10 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.004 0.938 25776 7697 1 10 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.464 3.027 25776 7698 1 10 . 1 1 150 150 LEU H H 150 8.580 8.580 8.166 0.414 25776 7699 1 10 . 1 1 151 151 GLY N N 151 109.909 109.909 113.369 -3.460 25776 7700 1 10 . 1 1 151 151 GLY C C 151 170.538 170.538 171.835 -1.297 25776 7701 1 10 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.295 0.325 25776 7702 1 10 . 1 1 151 151 GLY H H 151 8.115 8.115 8.508 -0.393 25776 7703 1 10 . 1 1 152 152 PHE N N 152 111.012 111.012 114.134 -3.122 25776 7704 1 10 . 1 1 152 152 PHE C C 152 171.455 171.455 172.995 -1.540 25776 7705 1 10 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.086 2.626 25776 7706 1 10 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.407 1.088 25776 7707 1 10 . 1 1 152 152 PHE H H 152 8.365 8.365 8.943 -0.578 25776 7708 1 10 . 1 1 153 153 ASP N N 153 119.057 119.057 119.176 -0.119 25776 7709 1 10 . 1 1 153 153 ASP C C 153 176.522 176.522 174.693 1.829 25776 7710 1 10 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.312 0.154 25776 7711 1 10 . 1 1 153 153 ASP CB C 153 45.097 45.097 45.131 -0.034 25776 7712 1 10 . 1 1 153 153 ASP H H 153 8.014 8.014 8.469 -0.455 25776 7713 1 10 . 1 1 154 154 TYR N N 154 123.640 123.640 124.374 -0.734 25776 7714 1 10 . 1 1 154 154 TYR C C 154 175.593 175.593 175.149 0.444 25776 7715 1 10 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.445 0.443 25776 7716 1 10 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.282 4.540 25776 7717 1 10 . 1 1 154 154 TYR H H 154 9.744 9.744 8.771 0.973 25776 7718 1 10 . 1 1 155 155 MET N N 155 126.409 126.409 122.965 3.444 25776 7719 1 10 . 1 1 155 155 MET C C 155 174.938 174.938 175.810 -0.872 25776 7720 1 10 . 1 1 155 155 MET CA C 155 55.410 55.410 56.459 -1.049 25776 7721 1 10 . 1 1 155 155 MET CB C 155 29.170 29.170 32.162 -2.992 25776 7722 1 10 . 1 1 155 155 MET H H 155 8.659 8.659 8.341 0.318 25776 7723 1 10 . 1 1 156 156 LEU N N 156 125.396 125.396 126.907 -1.511 25776 7724 1 10 . 1 1 156 156 LEU C C 156 177.567 177.567 178.196 -0.629 25776 7725 1 10 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.756 0.817 25776 7726 1 10 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.715 1.198 25776 7727 1 10 . 1 1 156 156 LEU H H 156 9.232 9.232 8.266 0.966 25776 7728 1 10 . 1 1 157 157 ASN N N 157 114.903 114.903 115.156 -0.253 25776 7729 1 10 . 1 1 157 157 ASN C C 157 173.568 173.568 175.752 -2.184 25776 7730 1 10 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.785 -1.593 25776 7731 1 10 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.599 0.312 25776 7732 1 10 . 1 1 157 157 ASN H H 157 8.099 8.099 8.059 0.040 25776 7733 1 10 . 1 1 158 158 GLU N N 158 114.724 114.724 117.778 -3.054 25776 7734 1 10 . 1 1 158 158 GLU C C 158 176.032 176.032 177.572 -1.540 25776 7735 1 10 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.931 2.747 25776 7736 1 10 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.450 0.066 25776 7737 1 10 . 1 1 158 158 GLU H H 158 8.625 8.625 8.642 -0.017 25776 7738 1 10 . 1 1 159 159 HIS N N 159 111.022 111.022 115.046 -4.024 25776 7739 1 10 . 1 1 159 159 HIS C C 159 173.158 173.158 173.847 -0.689 25776 7740 1 10 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.481 0.955 25776 7741 1 10 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.661 0.731 25776 7742 1 10 . 1 1 159 159 HIS H H 159 8.201 8.201 8.285 -0.084 25776 7743 1 10 . 1 1 160 160 ALA N N 160 122.967 122.967 121.243 1.724 25776 7744 1 10 . 1 1 160 160 ALA C C 160 176.212 176.212 175.137 1.075 25776 7745 1 10 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.864 0.459 25776 7746 1 10 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.131 1.295 25776 7747 1 10 . 1 1 160 160 ALA H H 160 8.389 8.389 7.678 0.711 25776 7748 1 10 . 1 1 161 161 LEU N N 161 116.648 116.648 115.092 1.556 25776 7749 1 10 . 1 1 161 161 LEU C C 161 174.922 174.922 175.290 -0.368 25776 7750 1 10 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.541 1.343 25776 7751 1 10 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.584 1.911 25776 7752 1 10 . 1 1 161 161 LEU H H 161 8.616 8.616 8.315 0.301 25776 7753 1 10 . 1 1 162 162 PHE N N 162 121.938 121.938 118.534 3.404 25776 7754 1 10 . 1 1 162 162 PHE C C 162 171.989 171.989 174.722 -2.733 25776 7755 1 10 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.221 -0.203 25776 7756 1 10 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.547 1.542 25776 7757 1 10 . 1 1 162 162 PHE H H 162 9.221 9.221 8.362 0.859 25776 7758 1 10 . 1 1 163 163 ASN N N 163 127.932 127.932 121.895 6.037 25776 7759 1 10 . 1 1 163 163 ASN C C 163 171.357 171.357 173.381 -2.024 25776 7760 1 10 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.702 0.247 25776 7761 1 10 . 1 1 163 163 ASN CB C 163 47.040 47.040 40.903 6.138 25776 7762 1 10 . 1 1 163 163 ASN H H 163 7.735 7.735 8.140 -0.405 25776 7763 1 10 . 1 1 164 164 MET N N 164 120.121 120.121 126.563 -6.442 25776 7764 1 10 . 1 1 164 164 MET C C 164 172.837 172.837 173.090 -0.253 25776 7765 1 10 . 1 1 164 164 MET CA C 164 55.914 55.914 53.756 2.158 25776 7766 1 10 . 1 1 164 164 MET CB C 164 38.643 38.643 36.726 1.917 25776 7767 1 10 . 1 1 164 164 MET H H 164 7.092 7.092 8.771 -1.679 25776 7768 1 10 . 1 1 165 165 ALA N N 165 120.745 120.745 127.559 -6.814 25776 7769 1 10 . 1 1 165 165 ALA C C 165 174.047 174.047 174.241 -0.194 25776 7770 1 10 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.459 0.955 25776 7771 1 10 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.837 0.306 25776 7772 1 10 . 1 1 165 165 ALA H H 165 8.370 8.370 9.082 -0.712 25776 7773 1 10 . 1 1 166 166 VAL N N 166 118.385 118.385 118.291 0.094 25776 7774 1 10 . 1 1 166 166 VAL C C 166 172.556 172.556 175.203 -2.647 25776 7775 1 10 . 1 1 166 166 VAL CA C 166 60.628 60.628 61.750 -1.122 25776 7776 1 10 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.318 2.809 25776 7777 1 10 . 1 1 166 166 VAL H H 166 8.723 8.723 8.807 -0.084 25776 7778 1 10 . 1 1 167 167 TRP N N 167 123.258 123.258 129.810 -6.552 25776 7779 1 10 . 1 1 167 167 TRP C C 167 174.016 174.016 175.602 -1.586 25776 7780 1 10 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.634 1.970 25776 7781 1 10 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.015 3.644 25776 7782 1 10 . 1 1 167 167 TRP H H 167 9.312 9.312 8.323 0.989 25776 7783 1 10 . 1 1 168 168 TYR N N 168 121.455 121.455 129.045 -7.590 25776 7784 1 10 . 1 1 168 168 TYR C C 168 175.110 175.110 174.119 0.991 25776 7785 1 10 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.522 -0.336 25776 7786 1 10 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.338 2.102 25776 7787 1 10 . 1 1 168 168 TYR H H 168 8.398 8.398 8.218 0.180 25776 7788 1 10 . 1 1 169 169 MET N N 169 124.800 124.800 123.067 1.733 25776 7789 1 10 . 1 1 169 169 MET C C 169 172.688 172.688 174.845 -2.157 25776 7790 1 10 . 1 1 169 169 MET CA C 169 55.640 55.640 55.103 0.537 25776 7791 1 10 . 1 1 169 169 MET CB C 169 34.143 34.143 34.161 -0.018 25776 7792 1 10 . 1 1 169 169 MET H H 169 8.131 8.131 8.326 -0.195 25776 7793 1 10 . 1 1 170 170 ASP N N 170 122.780 122.780 124.082 -1.302 25776 7794 1 10 . 1 1 170 170 ASP C C 170 174.864 174.864 175.312 -0.448 25776 7795 1 10 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.482 1.401 25776 7796 1 10 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.496 -0.818 25776 7797 1 10 . 1 1 170 170 ASP H H 170 8.191 8.191 8.473 -0.282 25776 7798 1 10 . 1 1 171 171 ILE N N 171 127.252 127.252 123.377 3.875 25776 7799 1 10 . 1 1 171 171 ILE C C 171 174.476 174.476 175.023 -0.547 25776 7800 1 10 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.608 -0.665 25776 7801 1 10 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.467 2.054 25776 7802 1 10 . 1 1 171 171 ILE H H 171 7.805 7.805 8.286 -0.481 25776 7803 1 10 . 1 1 172 172 ASP N N 172 129.369 129.369 128.207 1.162 25776 7804 1 10 . 1 1 172 172 ASP C C 172 174.520 174.520 175.170 -0.650 25776 7805 1 10 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.943 -0.142 25776 7806 1 10 . 1 1 172 172 ASP CB C 172 43.089 43.089 43.063 0.026 25776 7807 1 10 . 1 1 172 172 ASP H H 172 8.541 8.541 8.589 -0.048 25776 7808 1 10 . 1 1 173 173 THR N N 173 118.920 118.920 113.724 5.196 25776 7809 1 10 . 1 1 173 173 THR C C 173 172.170 172.170 174.115 -1.945 25776 7810 1 10 . 1 1 173 173 THR CA C 173 60.936 60.936 62.072 -1.137 25776 7811 1 10 . 1 1 173 173 THR CB C 173 70.002 70.002 70.018 -0.016 25776 7812 1 10 . 1 1 173 173 THR H H 173 8.814 8.814 8.257 0.557 25776 7813 1 10 . 1 1 176 176 SER C C 176 174.672 174.672 173.827 0.845 25776 7814 1 10 . 1 1 176 176 SER CA C 176 58.834 58.834 58.064 0.770 25776 7815 1 10 . 1 1 176 176 SER CB C 176 64.984 64.984 63.992 0.992 25776 7816 1 10 . 1 1 177 177 ILE N N 177 121.645 121.645 120.591 1.054 25776 7817 1 10 . 1 1 177 177 ILE C C 177 174.945 174.945 175.196 -0.251 25776 7818 1 10 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.817 1.529 25776 7819 1 10 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.474 0.665 25776 7820 1 10 . 1 1 177 177 ILE H H 177 7.993 7.993 8.108 -0.115 25776 7821 1 10 . 1 1 178 178 ASN N N 178 127.223 127.223 126.174 1.049 25776 7822 1 10 . 1 1 178 178 ASN C C 178 179.120 179.120 175.131 3.989 25776 7823 1 10 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.652 2.011 25776 7824 1 10 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.665 3.254 25776 7825 1 10 . 1 1 178 178 ASN H H 178 7.882 7.882 8.896 -1.014 25776 7826 1 10 . 1 1 182 182 ALA N N 182 124.095 124.095 122.718 1.377 25776 7827 1 10 . 1 1 182 182 ALA C C 182 177.680 177.680 175.373 2.307 25776 7828 1 10 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.740 2.476 25776 7829 1 10 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.338 -0.569 25776 7830 1 10 . 1 1 182 182 ALA H H 182 8.100 8.100 7.914 0.186 25776 7831 1 10 . 1 1 183 183 LEU N N 183 118.394 118.394 121.357 -2.963 25776 7832 1 10 . 1 1 183 183 LEU C C 183 177.352 177.352 177.801 -0.449 25776 7833 1 10 . 1 1 183 183 LEU CA C 183 55.827 55.827 56.002 -0.175 25776 7834 1 10 . 1 1 183 183 LEU CB C 183 43.184 43.184 44.580 -1.396 25776 7835 1 10 . 1 1 183 183 LEU H H 183 7.854 7.854 9.128 -1.274 25776 7836 1 10 . 1 1 184 184 GLY N N 184 107.897 107.897 108.366 -0.469 25776 7837 1 10 . 1 1 184 184 GLY C C 184 174.288 174.288 173.754 0.534 25776 7838 1 10 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.444 1.232 25776 7839 1 10 . 1 1 184 184 GLY H H 184 7.883 7.883 8.563 -0.680 25776 7840 1 10 . 1 1 185 185 VAL N N 185 118.254 118.254 119.967 -1.713 25776 7841 1 10 . 1 1 185 185 VAL C C 185 175.475 175.475 175.309 0.166 25776 7842 1 10 . 1 1 185 185 VAL CA C 185 63.048 63.048 62.018 1.030 25776 7843 1 10 . 1 1 185 185 VAL CB C 185 33.471 33.471 31.276 2.195 25776 7844 1 10 . 1 1 185 185 VAL H H 185 7.676 7.676 8.269 -0.593 25776 7845 1 10 . 1 1 186 186 ASN N N 186 121.756 121.756 117.484 4.272 25776 7846 1 10 . 1 1 186 186 ASN C C 186 174.724 174.724 175.949 -1.225 25776 7847 1 10 . 1 1 186 186 ASN CA C 186 54.593 54.593 54.810 -0.217 25776 7848 1 10 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.828 1.071 25776 7849 1 10 . 1 1 186 186 ASN H H 186 8.331 8.331 8.198 0.133 25776 7850 1 10 . 1 1 187 187 LYS N N 187 120.959 120.959 119.807 1.152 25776 7851 1 10 . 1 1 187 187 LYS C C 187 174.652 174.652 176.394 -1.742 25776 7852 1 10 . 1 1 187 187 LYS CA C 187 57.198 57.198 55.822 1.375 25776 7853 1 10 . 1 1 187 187 LYS CB C 187 34.043 34.043 32.788 1.255 25776 7854 1 10 . 1 1 187 187 LYS H H 187 8.031 8.031 7.921 0.110 25776 7855 1 10 . 1 1 189 189 LYS C C 189 176.088 176.088 175.361 0.727 25776 7856 1 10 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.748 1.694 25776 7857 1 10 . 1 1 190 190 VAL N N 190 121.122 121.122 123.565 -2.443 25776 7858 1 10 . 1 1 190 190 VAL C C 190 175.545 175.545 176.020 -0.475 25776 7859 1 10 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.145 -0.024 25776 7860 1 10 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.236 1.712 25776 7861 1 10 . 1 1 190 190 VAL H H 190 8.067 8.067 8.222 -0.155 25776 7862 1 10 . 1 1 191 191 ASP N N 191 124.022 124.022 125.996 -1.974 25776 7863 1 10 . 1 1 191 191 ASP C C 191 175.710 175.710 174.741 0.969 25776 7864 1 10 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.901 1.367 25776 7865 1 10 . 1 1 191 191 ASP CB C 191 41.978 41.978 44.252 -2.274 25776 7866 1 10 . 1 1 191 191 ASP H H 191 8.282 8.282 8.507 -0.225 25776 7867 1 10 . 1 1 192 192 VAL N N 192 118.928 118.928 121.022 -2.094 25776 7868 1 10 . 1 1 192 192 VAL C C 192 175.433 175.433 174.639 0.794 25776 7869 1 10 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.642 1.178 25776 7870 1 10 . 1 1 192 192 VAL CB C 192 34.105 34.105 34.672 -0.567 25776 7871 1 10 . 1 1 192 192 VAL H H 192 7.877 7.877 8.286 -0.409 25776 7872 1 10 . 1 1 193 193 ASP N N 193 124.364 124.364 124.795 -0.431 25776 7873 1 10 . 1 1 193 193 ASP C C 193 176.118 176.118 175.178 0.940 25776 7874 1 10 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.466 0.745 25776 7875 1 10 . 1 1 193 193 ASP CB C 193 42.033 42.033 43.171 -1.138 25776 7876 1 10 . 1 1 193 193 ASP H H 193 8.335 8.335 8.584 -0.249 25776 7877 1 10 . 1 1 198 198 VAL N N 198 126.400 126.400 123.728 2.672 25776 7878 1 10 . 1 1 198 198 VAL C C 198 174.600 174.600 173.331 1.269 25776 7879 1 10 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.002 -0.562 25776 7880 1 10 . 1 1 198 198 VAL CB C 198 35.100 35.100 34.074 1.026 25776 7881 1 10 . 1 1 198 198 VAL H H 198 8.474 8.474 8.044 0.430 25776 7882 1 10 . 1 1 199 199 TYR N N 199 123.900 123.900 118.177 5.723 25776 7883 1 10 . 1 1 199 199 TYR C C 199 173.600 173.600 173.481 0.119 25776 7884 1 10 . 1 1 199 199 TYR CA C 199 55.510 55.510 55.881 -0.371 25776 7885 1 10 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.180 -0.550 25776 7886 1 10 . 1 1 199 199 TYR H H 199 8.748 8.748 7.534 1.214 25776 7887 1 10 . 1 1 200 200 MET N N 200 123.700 123.700 122.348 1.352 25776 7888 1 10 . 1 1 200 200 MET CA C 200 49.420 49.420 54.186 -4.766 25776 7889 1 10 . 1 1 200 200 MET H H 200 9.057 9.057 8.896 0.161 25776 7890 1 10 . 1 1 201 201 ILE C C 201 174.016 174.016 174.391 -0.375 25776 7891 1 10 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.042 1.432 25776 7892 1 10 . 1 1 201 201 ILE CB C 201 42.435 42.435 41.559 0.876 25776 7893 1 10 . 1 1 202 202 GLY N N 202 113.215 113.215 111.130 2.085 25776 7894 1 10 . 1 1 202 202 GLY C C 202 170.124 170.124 172.072 -1.948 25776 7895 1 10 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.741 2.819 25776 7896 1 10 . 1 1 202 202 GLY H H 202 8.646 8.646 8.421 0.225 25776 7897 1 10 . 1 1 203 203 PHE N N 203 116.782 116.782 118.377 -1.595 25776 7898 1 10 . 1 1 203 203 PHE C C 203 174.063 174.063 175.027 -0.964 25776 7899 1 10 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.744 -0.293 25776 7900 1 10 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.999 1.700 25776 7901 1 10 . 1 1 203 203 PHE H H 203 8.482 8.482 8.474 0.008 25776 7902 1 10 . 1 1 204 204 GLY N N 204 105.936 105.936 106.729 -0.793 25776 7903 1 10 . 1 1 204 204 GLY C C 204 171.097 171.097 171.733 -0.636 25776 7904 1 10 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.082 2.392 25776 7905 1 10 . 1 1 204 204 GLY H H 204 9.003 9.003 7.965 1.038 25776 7906 1 10 . 1 1 205 205 TYR N N 205 121.196 121.196 120.893 0.303 25776 7907 1 10 . 1 1 205 205 TYR C C 205 172.994 172.994 173.116 -0.122 25776 7908 1 10 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.990 0.696 25776 7909 1 10 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.792 2.398 25776 7910 1 10 . 1 1 205 205 TYR H H 205 9.413 9.413 9.116 0.297 25776 7911 1 10 . 1 1 206 206 LYS N N 206 126.788 126.788 126.416 0.372 25776 7912 1 10 . 1 1 206 206 LYS C C 206 174.161 174.161 174.492 -0.331 25776 7913 1 10 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.844 0.586 25776 7914 1 10 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.375 2.050 25776 7915 1 10 . 1 1 206 206 LYS H H 206 8.364 8.364 7.939 0.425 25776 7916 1 10 . 1 1 207 207 PHE N N 207 126.168 126.168 123.585 2.583 25776 7917 1 10 . 1 1 207 207 PHE C C 207 175.094 175.094 174.192 0.902 25776 7918 1 10 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.485 1.205 25776 7919 1 10 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.972 1.691 25776 7920 1 10 . 1 1 207 207 PHE H H 207 9.308 9.308 7.623 1.685 25776 7921 1 10 . 1 1 208 208 LEU N N 208 123.199 123.199 127.387 -4.188 25776 7922 1 10 . 1 1 208 208 LEU C C 208 176.580 176.580 176.610 -0.030 25776 7923 1 10 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.028 1.443 25776 7924 1 10 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.923 0.790 25776 7925 1 10 . 1 1 208 208 LEU H H 208 8.376 8.376 8.186 0.190 25776 7926 1 10 . 1 1 209 209 GLU N N 209 121.960 121.960 122.734 -0.774 25776 7927 1 10 . 1 1 209 209 GLU C C 209 176.226 176.226 175.416 0.810 25776 7928 1 10 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.162 1.570 25776 7929 1 10 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.149 0.304 25776 7930 1 10 . 1 1 209 209 GLU H H 209 8.500 8.500 8.663 -0.163 25776 7931 1 11 . 1 1 2 2 HIS C C 2 175.393 175.393 175.124 0.269 25776 7932 1 11 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.837 -2.034 25776 7933 1 11 . 1 1 2 2 HIS CB C 2 30.780 30.780 30.157 0.623 25776 7934 1 11 . 1 1 3 3 LYS N N 3 121.908 121.908 124.114 -2.206 25776 7935 1 11 . 1 1 3 3 LYS C C 3 173.475 173.475 174.455 -0.980 25776 7936 1 11 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.662 0.365 25776 7937 1 11 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.598 -1.398 25776 7938 1 11 . 1 1 3 3 LYS H H 3 8.608 8.608 7.986 0.623 25776 7939 1 11 . 1 1 4 4 ALA N N 4 120.771 120.771 121.919 -1.148 25776 7940 1 11 . 1 1 4 4 ALA C C 4 178.118 178.118 178.119 -0.001 25776 7941 1 11 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.905 0.534 25776 7942 1 11 . 1 1 4 4 ALA CB C 4 18.049 18.049 17.166 0.883 25776 7943 1 11 . 1 1 4 4 ALA H H 4 8.581 8.581 8.223 0.358 25776 7944 1 11 . 1 1 5 5 GLY N N 5 112.807 112.807 112.059 0.748 25776 7945 1 11 . 1 1 5 5 GLY C C 5 173.788 173.788 174.339 -0.551 25776 7946 1 11 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.672 0.148 25776 7947 1 11 . 1 1 5 5 GLY H H 5 9.170 9.170 7.966 1.204 25776 7948 1 11 . 1 1 6 6 ASP N N 6 121.504 121.504 122.041 -0.537 25776 7949 1 11 . 1 1 6 6 ASP C C 6 174.307 174.307 174.859 -0.552 25776 7950 1 11 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.975 0.843 25776 7951 1 11 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.666 -0.091 25776 7952 1 11 . 1 1 6 6 ASP H H 6 7.619 7.619 7.683 -0.064 25776 7953 1 11 . 1 1 7 7 PHE N N 7 121.212 121.212 123.113 -1.901 25776 7954 1 11 . 1 1 7 7 PHE C C 7 174.030 174.030 174.646 -0.616 25776 7955 1 11 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.275 -1.674 25776 7956 1 11 . 1 1 7 7 PHE CB C 7 43.076 43.076 38.338 4.738 25776 7957 1 11 . 1 1 7 7 PHE H H 7 8.285 8.285 8.587 -0.302 25776 7958 1 11 . 1 1 8 8 ILE N N 8 128.185 128.185 124.612 3.573 25776 7959 1 11 . 1 1 8 8 ILE C C 8 173.961 173.961 174.620 -0.659 25776 7960 1 11 . 1 1 8 8 ILE CA C 8 61.723 61.723 58.159 3.564 25776 7961 1 11 . 1 1 8 8 ILE CB C 8 43.669 43.669 39.384 4.285 25776 7962 1 11 . 1 1 8 8 ILE H H 8 9.245 9.245 8.332 0.913 25776 7963 1 11 . 1 1 9 9 ILE N N 9 125.624 125.624 123.471 2.153 25776 7964 1 11 . 1 1 9 9 ILE C C 9 173.731 173.731 174.388 -0.657 25776 7965 1 11 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.047 0.242 25776 7966 1 11 . 1 1 9 9 ILE CB C 9 42.091 42.091 38.936 3.155 25776 7967 1 11 . 1 1 9 9 ILE H H 9 8.628 8.628 8.704 -0.076 25776 7968 1 11 . 1 1 10 10 ARG N N 10 125.025 125.025 125.685 -0.660 25776 7969 1 11 . 1 1 10 10 ARG C C 10 175.074 175.074 175.722 -0.648 25776 7970 1 11 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.825 0.669 25776 7971 1 11 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.373 -1.601 25776 7972 1 11 . 1 1 10 10 ARG H H 10 9.225 9.225 9.200 0.025 25776 7973 1 11 . 1 1 11 11 GLY N N 11 106.141 106.141 107.130 -0.989 25776 7974 1 11 . 1 1 11 11 GLY C C 11 171.959 171.959 172.193 -0.234 25776 7975 1 11 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.647 -0.440 25776 7976 1 11 . 1 1 11 11 GLY H H 11 8.885 8.885 8.632 0.253 25776 7977 1 11 . 1 1 12 12 GLY N N 12 107.818 107.818 108.303 -0.485 25776 7978 1 11 . 1 1 12 12 GLY C C 12 171.465 171.465 171.986 -0.521 25776 7979 1 11 . 1 1 12 12 GLY CA C 12 47.313 47.313 43.802 3.511 25776 7980 1 11 . 1 1 12 12 GLY H H 12 8.433 8.433 7.813 0.620 25776 7981 1 11 . 1 1 13 13 PHE N N 13 120.233 120.233 118.796 1.437 25776 7982 1 11 . 1 1 13 13 PHE C C 13 174.056 174.056 176.217 -2.161 25776 7983 1 11 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.808 0.343 25776 7984 1 11 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.623 2.002 25776 7985 1 11 . 1 1 13 13 PHE H H 13 8.606 8.606 8.379 0.227 25776 7986 1 11 . 1 1 18 18 PRO C C 18 176.552 176.552 175.427 1.125 25776 7987 1 11 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.867 1.224 25776 7988 1 11 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.661 0.988 25776 7989 1 11 . 1 1 19 19 ASP N N 19 121.094 121.094 119.421 1.673 25776 7990 1 11 . 1 1 19 19 ASP C C 19 176.047 176.047 175.551 0.496 25776 7991 1 11 . 1 1 19 19 ASP CA C 19 55.274 55.274 53.632 1.642 25776 7992 1 11 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.690 1.353 25776 7993 1 11 . 1 1 19 19 ASP H H 19 8.372 8.372 8.367 0.005 25776 7994 1 11 . 1 1 20 20 ASP N N 20 123.179 123.179 121.665 1.514 25776 7995 1 11 . 1 1 20 20 ASP C C 20 176.790 176.790 176.358 0.432 25776 7996 1 11 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.881 0.214 25776 7997 1 11 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.088 0.746 25776 7998 1 11 . 1 1 20 20 ASP H H 20 8.357 8.357 8.577 -0.220 25776 7999 1 11 . 1 1 21 21 SER N N 21 117.319 117.319 115.100 2.219 25776 8000 1 11 . 1 1 21 21 SER C C 21 175.218 175.218 172.986 2.232 25776 8001 1 11 . 1 1 21 21 SER CA C 21 60.134 60.134 59.118 1.016 25776 8002 1 11 . 1 1 21 21 SER CB C 21 64.701 64.701 64.181 0.520 25776 8003 1 11 . 1 1 21 21 SER H H 21 8.398 8.398 7.876 0.522 25776 8004 1 11 . 1 1 22 22 SER N N 22 117.994 117.994 115.906 2.088 25776 8005 1 11 . 1 1 22 22 SER C C 22 174.877 174.877 174.217 0.660 25776 8006 1 11 . 1 1 22 22 SER CA C 22 59.839 59.839 57.080 2.759 25776 8007 1 11 . 1 1 22 22 SER CB C 22 64.669 64.669 64.323 0.345 25776 8008 1 11 . 1 1 22 22 SER H H 22 8.314 8.314 8.254 0.060 25776 8009 1 11 . 1 1 23 23 SER N N 23 117.809 117.809 119.605 -1.796 25776 8010 1 11 . 1 1 23 23 SER C C 23 174.298 174.298 174.012 0.286 25776 8011 1 11 . 1 1 23 23 SER CA C 23 59.629 59.629 58.429 1.200 25776 8012 1 11 . 1 1 23 23 SER CB C 23 64.802 64.802 63.518 1.284 25776 8013 1 11 . 1 1 23 23 SER H H 23 8.143 8.143 8.867 -0.724 25776 8014 1 11 . 1 1 24 24 ASP N N 24 122.829 122.829 120.725 2.104 25776 8015 1 11 . 1 1 24 24 ASP C C 24 176.250 176.250 176.552 -0.302 25776 8016 1 11 . 1 1 24 24 ASP CA C 24 55.493 55.493 55.059 0.434 25776 8017 1 11 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.285 0.556 25776 8018 1 11 . 1 1 24 24 ASP H H 24 8.234 8.234 8.350 -0.116 25776 8019 1 11 . 1 1 25 25 ILE N N 25 120.717 120.717 118.507 2.210 25776 8020 1 11 . 1 1 25 25 ILE C C 25 176.204 176.204 175.648 0.556 25776 8021 1 11 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.735 0.821 25776 8022 1 11 . 1 1 25 25 ILE CB C 25 39.668 39.668 39.483 0.185 25776 8023 1 11 . 1 1 25 25 ILE H H 25 7.884 7.884 7.954 -0.070 25776 8024 1 11 . 1 1 26 26 LYS N N 26 124.527 124.527 119.825 4.702 25776 8025 1 11 . 1 1 26 26 LYS C C 26 176.616 176.616 176.236 0.380 25776 8026 1 11 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.385 1.807 25776 8027 1 11 . 1 1 26 26 LYS CB C 26 33.809 33.809 34.843 -1.034 25776 8028 1 11 . 1 1 26 26 LYS H H 26 8.164 8.164 7.648 0.516 25776 8029 1 11 . 1 1 27 27 LEU N N 27 123.292 123.292 121.121 2.171 25776 8030 1 11 . 1 1 27 27 LEU C C 27 177.077 177.077 176.972 0.105 25776 8031 1 11 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.392 0.781 25776 8032 1 11 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.555 0.762 25776 8033 1 11 . 1 1 27 27 LEU H H 27 8.100 8.100 8.471 -0.371 25776 8034 1 11 . 1 1 28 28 ASP N N 28 121.059 121.059 116.922 4.137 25776 8035 1 11 . 1 1 28 28 ASP C C 28 176.929 176.929 176.091 0.838 25776 8036 1 11 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.918 0.430 25776 8037 1 11 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.354 0.721 25776 8038 1 11 . 1 1 28 28 ASP H H 28 8.209 8.209 7.958 0.251 25776 8039 1 11 . 1 1 29 29 GLY N N 29 110.032 110.032 106.767 3.265 25776 8040 1 11 . 1 1 29 29 GLY C C 29 174.364 174.364 172.685 1.679 25776 8041 1 11 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.154 1.724 25776 8042 1 11 . 1 1 29 29 GLY H H 29 8.274 8.274 8.793 -0.519 25776 8043 1 11 . 1 1 30 30 ALA N N 30 124.102 124.102 123.122 0.980 25776 8044 1 11 . 1 1 30 30 ALA C C 30 178.005 178.005 176.011 1.994 25776 8045 1 11 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.165 1.659 25776 8046 1 11 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.630 0.498 25776 8047 1 11 . 1 1 30 30 ALA H H 30 8.085 8.085 8.140 -0.055 25776 8048 1 11 . 1 1 31 31 LYS N N 31 119.810 119.810 122.608 -2.798 25776 8049 1 11 . 1 1 31 31 LYS C C 31 176.650 176.650 175.800 0.850 25776 8050 1 11 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.187 1.285 25776 8051 1 11 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.897 1.052 25776 8052 1 11 . 1 1 31 31 LYS H H 31 8.075 8.075 8.233 -0.158 25776 8053 1 11 . 1 1 32 32 GLN N N 32 121.045 121.045 120.419 0.626 25776 8054 1 11 . 1 1 32 32 GLN C C 32 175.862 175.862 174.804 1.058 25776 8055 1 11 . 1 1 32 32 GLN CA C 32 56.939 56.939 56.676 0.263 25776 8056 1 11 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.035 1.159 25776 8057 1 11 . 1 1 32 32 GLN H H 32 8.182 8.182 8.653 -0.471 25776 8058 1 11 . 1 1 33 33 ARG N N 33 122.683 122.683 122.342 0.341 25776 8059 1 11 . 1 1 33 33 ARG C C 33 176.492 176.492 176.353 0.139 25776 8060 1 11 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.795 1.287 25776 8061 1 11 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.783 1.169 25776 8062 1 11 . 1 1 33 33 ARG H H 33 8.288 8.288 8.711 -0.423 25776 8063 1 11 . 1 1 36 36 LYS C C 36 176.028 176.028 175.050 0.978 25776 8064 1 11 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.053 1.170 25776 8065 1 11 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.333 1.929 25776 8066 1 11 . 1 1 37 37 ALA N N 37 125.793 125.793 128.048 -2.255 25776 8067 1 11 . 1 1 37 37 ALA C C 37 177.567 177.567 177.657 -0.090 25776 8068 1 11 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.228 1.340 25776 8069 1 11 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.494 0.914 25776 8070 1 11 . 1 1 37 37 ALA H H 37 8.329 8.329 8.474 -0.145 25776 8071 1 11 . 1 1 38 38 THR N N 38 113.398 113.398 115.389 -1.991 25776 8072 1 11 . 1 1 38 38 THR C C 38 174.556 174.556 174.181 0.375 25776 8073 1 11 . 1 1 38 38 THR CA C 38 62.551 62.551 61.664 0.886 25776 8074 1 11 . 1 1 38 38 THR CB C 38 71.054 71.054 69.376 1.678 25776 8075 1 11 . 1 1 38 38 THR H H 38 8.007 8.007 8.182 -0.175 25776 8076 1 11 . 1 1 39 39 VAL N N 39 120.865 120.865 122.109 -1.244 25776 8077 1 11 . 1 1 39 39 VAL C C 39 175.523 175.523 173.896 1.627 25776 8078 1 11 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.777 0.323 25776 8079 1 11 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.240 1.804 25776 8080 1 11 . 1 1 39 39 VAL H H 39 8.043 8.043 8.237 -0.194 25776 8081 1 11 . 1 1 40 40 ASP N N 40 124.053 124.053 125.392 -1.339 25776 8082 1 11 . 1 1 40 40 ASP C C 40 176.132 176.132 176.431 -0.299 25776 8083 1 11 . 1 1 40 40 ASP CA C 40 55.281 55.281 53.602 1.679 25776 8084 1 11 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.961 1.258 25776 8085 1 11 . 1 1 40 40 ASP H H 40 8.333 8.333 8.462 -0.129 25776 8086 1 11 . 1 1 41 41 SER N N 41 115.655 115.655 118.106 -2.451 25776 8087 1 11 . 1 1 41 41 SER C C 41 174.147 174.147 173.923 0.224 25776 8088 1 11 . 1 1 41 41 SER CA C 41 59.367 59.367 60.395 -1.028 25776 8089 1 11 . 1 1 41 41 SER CB C 41 65.027 65.027 63.219 1.808 25776 8090 1 11 . 1 1 41 41 SER H H 41 8.142 8.142 8.749 -0.607 25776 8091 1 11 . 1 1 42 42 ASP N N 42 123.005 123.005 117.192 5.813 25776 8092 1 11 . 1 1 42 42 ASP C C 42 176.578 176.578 175.160 1.418 25776 8093 1 11 . 1 1 42 42 ASP CA C 42 55.439 55.439 53.807 1.632 25776 8094 1 11 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.835 -0.431 25776 8095 1 11 . 1 1 42 42 ASP H H 42 8.433 8.433 8.022 0.411 25776 8096 1 11 . 1 1 43 43 THR C C 43 176.244 176.244 174.619 1.625 25776 8097 1 11 . 1 1 43 43 THR CA C 43 62.772 62.772 62.396 0.376 25776 8098 1 11 . 1 1 43 43 THR CB C 43 71.018 71.018 69.866 1.152 25776 8099 1 11 . 1 1 44 44 GLN N N 44 123.824 123.824 121.547 2.277 25776 8100 1 11 . 1 1 44 44 GLN C C 44 177.061 177.061 175.710 1.351 25776 8101 1 11 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.081 2.198 25776 8102 1 11 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.919 3.743 25776 8103 1 11 . 1 1 44 44 GLN H H 44 8.270 8.270 7.939 0.331 25776 8104 1 11 . 1 1 45 45 LEU N N 45 122.159 122.159 119.876 2.283 25776 8105 1 11 . 1 1 45 45 LEU C C 45 176.419 176.419 176.864 -0.445 25776 8106 1 11 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.792 1.325 25776 8107 1 11 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.053 0.567 25776 8108 1 11 . 1 1 45 45 LEU H H 45 7.940 7.940 8.197 -0.257 25776 8109 1 11 . 1 1 46 46 GLY N N 46 107.861 107.861 106.176 1.685 25776 8110 1 11 . 1 1 46 46 GLY C C 46 171.538 171.538 172.548 -1.010 25776 8111 1 11 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.514 0.261 25776 8112 1 11 . 1 1 46 46 GLY H H 46 8.566 8.566 7.881 0.685 25776 8113 1 11 . 1 1 47 47 LEU N N 47 122.959 122.959 124.368 -1.409 25776 8114 1 11 . 1 1 47 47 LEU C C 47 175.422 175.422 175.788 -0.366 25776 8115 1 11 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.776 0.555 25776 8116 1 11 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.395 2.949 25776 8117 1 11 . 1 1 47 47 LEU H H 47 8.457 8.457 7.994 0.463 25776 8118 1 11 . 1 1 48 48 THR N N 48 112.144 112.144 114.123 -1.979 25776 8119 1 11 . 1 1 48 48 THR C C 48 172.347 172.347 173.059 -0.712 25776 8120 1 11 . 1 1 48 48 THR CA C 48 59.573 59.573 60.565 -0.992 25776 8121 1 11 . 1 1 48 48 THR CB C 48 72.843 72.843 71.924 0.919 25776 8122 1 11 . 1 1 48 48 THR H H 48 8.814 8.814 9.188 -0.374 25776 8123 1 11 . 1 1 49 49 PHE N N 49 118.787 118.787 126.639 -7.852 25776 8124 1 11 . 1 1 49 49 PHE C C 49 174.623 174.623 175.021 -0.398 25776 8125 1 11 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.181 -1.444 25776 8126 1 11 . 1 1 49 49 PHE CB C 49 42.986 42.986 41.112 1.874 25776 8127 1 11 . 1 1 49 49 PHE H H 49 8.455 8.455 8.422 0.033 25776 8128 1 11 . 1 1 50 50 THR N N 50 121.279 121.279 123.529 -2.250 25776 8129 1 11 . 1 1 50 50 THR C C 50 173.272 173.272 173.017 0.255 25776 8130 1 11 . 1 1 50 50 THR CA C 50 63.315 63.315 61.087 2.228 25776 8131 1 11 . 1 1 50 50 THR CB C 50 74.327 74.327 70.365 3.962 25776 8132 1 11 . 1 1 50 50 THR H H 50 9.372 9.372 8.967 0.405 25776 8133 1 11 . 1 1 51 51 TYR N N 51 126.005 126.005 125.352 0.653 25776 8134 1 11 . 1 1 51 51 TYR C C 51 174.837 174.837 175.587 -0.750 25776 8135 1 11 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.595 0.265 25776 8136 1 11 . 1 1 51 51 TYR CB C 51 42.447 42.447 38.709 3.738 25776 8137 1 11 . 1 1 51 51 TYR H H 51 9.157 9.157 9.238 -0.081 25776 8138 1 11 . 1 1 52 52 MET N N 52 127.601 127.601 123.259 4.342 25776 8139 1 11 . 1 1 52 52 MET C C 52 174.466 174.466 174.952 -0.486 25776 8140 1 11 . 1 1 52 52 MET CA C 52 53.171 53.171 55.848 -2.677 25776 8141 1 11 . 1 1 52 52 MET CB C 52 29.467 29.467 32.696 -3.229 25776 8142 1 11 . 1 1 52 52 MET H H 52 7.998 7.998 8.097 -0.099 25776 8143 1 11 . 1 1 53 53 PHE N N 53 123.918 123.918 126.322 -2.404 25776 8144 1 11 . 1 1 53 53 PHE C C 53 173.685 173.685 175.267 -1.582 25776 8145 1 11 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.931 0.683 25776 8146 1 11 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.461 -2.350 25776 8147 1 11 . 1 1 53 53 PHE H H 53 7.762 7.762 8.901 -1.139 25776 8148 1 11 . 1 1 54 54 ALA N N 54 125.892 125.892 129.694 -3.802 25776 8149 1 11 . 1 1 54 54 ALA C C 54 174.976 174.976 176.502 -1.526 25776 8150 1 11 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.007 -1.564 25776 8151 1 11 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.435 5.099 25776 8152 1 11 . 1 1 54 54 ALA H H 54 8.396 8.396 8.395 0.001 25776 8153 1 11 . 1 1 55 55 ASP N N 55 118.951 118.951 119.201 -0.250 25776 8154 1 11 . 1 1 55 55 ASP C C 55 174.777 174.777 175.797 -1.020 25776 8155 1 11 . 1 1 55 55 ASP CA C 55 59.139 59.139 55.789 3.350 25776 8156 1 11 . 1 1 55 55 ASP CB C 55 40.948 40.948 39.141 1.808 25776 8157 1 11 . 1 1 55 55 ASP H H 55 8.632 8.632 8.674 -0.042 25776 8158 1 11 . 1 1 56 56 LYS N N 56 106.363 106.363 113.408 -7.045 25776 8159 1 11 . 1 1 56 56 LYS C C 56 174.930 174.930 174.960 -0.030 25776 8160 1 11 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.752 -0.882 25776 8161 1 11 . 1 1 56 56 LYS CB C 56 35.437 35.437 34.888 0.549 25776 8162 1 11 . 1 1 56 56 LYS H H 56 7.300 7.300 7.893 -0.593 25776 8163 1 11 . 1 1 57 57 TRP N N 57 115.784 115.784 118.858 -3.074 25776 8164 1 11 . 1 1 57 57 TRP C C 57 173.960 173.960 174.729 -0.769 25776 8165 1 11 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.081 -1.124 25776 8166 1 11 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.811 1.365 25776 8167 1 11 . 1 1 57 57 TRP H H 57 6.612 6.612 7.795 -1.183 25776 8168 1 11 . 1 1 58 58 GLY N N 58 107.657 107.657 106.599 1.058 25776 8169 1 11 . 1 1 58 58 GLY C C 58 172.720 172.720 171.931 0.789 25776 8170 1 11 . 1 1 58 58 GLY CA C 58 45.784 45.784 46.126 -0.342 25776 8171 1 11 . 1 1 58 58 GLY H H 58 9.271 9.271 8.466 0.805 25776 8172 1 11 . 1 1 59 59 VAL N N 59 118.434 118.434 119.747 -1.313 25776 8173 1 11 . 1 1 59 59 VAL C C 59 172.973 172.973 174.060 -1.087 25776 8174 1 11 . 1 1 59 59 VAL CA C 59 60.638 60.638 59.919 0.719 25776 8175 1 11 . 1 1 59 59 VAL CB C 59 36.036 36.036 33.879 2.157 25776 8176 1 11 . 1 1 59 59 VAL H H 59 9.080 9.080 8.120 0.960 25776 8177 1 11 . 1 1 60 60 GLU N N 60 127.915 127.915 125.366 2.549 25776 8178 1 11 . 1 1 60 60 GLU C C 60 174.464 174.464 174.057 0.407 25776 8179 1 11 . 1 1 60 60 GLU CA C 60 53.751 53.751 53.837 -0.086 25776 8180 1 11 . 1 1 60 60 GLU CB C 60 36.042 36.042 34.562 1.480 25776 8181 1 11 . 1 1 60 60 GLU H H 60 9.431 9.431 9.242 0.189 25776 8182 1 11 . 1 1 61 61 LEU N N 61 127.764 127.764 125.700 2.064 25776 8183 1 11 . 1 1 61 61 LEU C C 61 174.746 174.746 174.595 0.151 25776 8184 1 11 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.524 0.467 25776 8185 1 11 . 1 1 61 61 LEU CB C 61 46.880 46.880 46.034 0.846 25776 8186 1 11 . 1 1 61 61 LEU H H 61 8.730 8.730 8.177 0.553 25776 8187 1 11 . 1 1 62 62 VAL N N 62 126.465 126.465 125.141 1.324 25776 8188 1 11 . 1 1 62 62 VAL C C 62 174.453 174.453 174.577 -0.124 25776 8189 1 11 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.892 0.393 25776 8190 1 11 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.725 2.361 25776 8191 1 11 . 1 1 62 62 VAL H H 62 9.068 9.068 8.411 0.657 25776 8192 1 11 . 1 1 63 63 ALA N N 63 130.444 130.444 128.054 2.390 25776 8193 1 11 . 1 1 63 63 ALA C C 63 174.030 174.030 175.000 -0.970 25776 8194 1 11 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.346 -1.096 25776 8195 1 11 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.252 1.251 25776 8196 1 11 . 1 1 63 63 ALA H H 63 9.124 9.124 8.716 0.408 25776 8197 1 11 . 1 1 64 64 ALA N N 64 121.285 121.285 124.945 -3.660 25776 8198 1 11 . 1 1 64 64 ALA C C 64 176.843 176.843 176.848 -0.005 25776 8199 1 11 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.593 0.577 25776 8200 1 11 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.785 2.387 25776 8201 1 11 . 1 1 64 64 ALA H H 64 7.995 7.995 8.460 -0.465 25776 8202 1 11 . 1 1 65 65 THR N N 65 109.734 109.734 117.133 -7.399 25776 8203 1 11 . 1 1 65 65 THR C C 65 176.739 176.739 172.529 4.210 25776 8204 1 11 . 1 1 65 65 THR CA C 65 61.660 61.660 59.651 2.009 25776 8205 1 11 . 1 1 65 65 THR CB C 65 68.341 68.341 69.719 -1.378 25776 8206 1 11 . 1 1 65 65 THR H H 65 8.108 8.108 8.173 -0.065 25776 8207 1 11 . 1 1 67 67 PHE N N 67 123.676 123.676 123.978 -0.302 25776 8208 1 11 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.813 -0.964 25776 8209 1 11 . 1 1 67 67 PHE H H 67 8.382 8.382 8.448 -0.066 25776 8210 1 11 . 1 1 74 74 LYS C C 74 177.704 177.704 177.236 0.468 25776 8211 1 11 . 1 1 74 74 LYS CA C 74 56.028 56.028 57.282 -1.254 25776 8212 1 11 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.118 1.944 25776 8213 1 11 . 1 1 75 75 GLY N N 75 108.841 108.841 108.299 0.542 25776 8214 1 11 . 1 1 75 75 GLY C C 75 174.405 174.405 173.776 0.629 25776 8215 1 11 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.915 1.797 25776 8216 1 11 . 1 1 75 75 GLY H H 75 8.069 8.069 7.710 0.359 25776 8217 1 11 . 1 1 76 76 LEU N N 76 120.093 120.093 121.920 -1.827 25776 8218 1 11 . 1 1 76 76 LEU C C 76 176.997 176.997 176.095 0.902 25776 8219 1 11 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.184 0.996 25776 8220 1 11 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.589 3.408 25776 8221 1 11 . 1 1 76 76 LEU H H 76 7.623 7.623 8.304 -0.681 25776 8222 1 11 . 1 1 79 79 GLY C C 79 175.675 175.675 174.366 1.309 25776 8223 1 11 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.072 2.027 25776 8224 1 11 . 1 1 80 80 LEU N N 80 130.062 130.062 121.566 8.496 25776 8225 1 11 . 1 1 80 80 LEU C C 80 176.062 176.062 175.529 0.533 25776 8226 1 11 . 1 1 80 80 LEU CA C 80 55.404 55.404 56.892 -1.488 25776 8227 1 11 . 1 1 80 80 LEU CB C 80 43.006 43.006 41.386 1.620 25776 8228 1 11 . 1 1 80 80 LEU H H 80 9.441 9.441 8.435 1.006 25776 8229 1 11 . 1 1 81 81 ASP N N 81 124.816 124.816 121.022 3.794 25776 8230 1 11 . 1 1 81 81 ASP C C 81 178.992 178.992 175.445 3.547 25776 8231 1 11 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.146 1.623 25776 8232 1 11 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.132 -0.185 25776 8233 1 11 . 1 1 81 81 ASP H H 81 7.854 7.854 8.151 -0.297 25776 8234 1 11 . 1 1 91 91 PRO C C 91 175.297 175.297 175.351 -0.054 25776 8235 1 11 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.992 -1.159 25776 8236 1 11 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.322 1.209 25776 8237 1 11 . 1 1 92 92 ALA N N 92 123.521 123.521 120.992 2.529 25776 8238 1 11 . 1 1 92 92 ALA C C 92 175.643 175.643 175.628 0.015 25776 8239 1 11 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.481 1.194 25776 8240 1 11 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.787 -0.062 25776 8241 1 11 . 1 1 92 92 ALA H H 92 8.829 8.829 8.131 0.698 25776 8242 1 11 . 1 1 93 93 THR N N 93 117.599 117.599 116.685 0.914 25776 8243 1 11 . 1 1 93 93 THR C C 93 171.440 171.440 173.097 -1.657 25776 8244 1 11 . 1 1 93 93 THR CA C 93 62.066 62.066 61.837 0.229 25776 8245 1 11 . 1 1 93 93 THR CB C 93 72.352 72.352 71.120 1.232 25776 8246 1 11 . 1 1 93 93 THR H H 93 8.237 8.237 8.217 0.020 25776 8247 1 11 . 1 1 94 94 LEU N N 94 129.530 129.530 128.219 1.311 25776 8248 1 11 . 1 1 94 94 LEU C C 94 174.995 174.995 174.777 0.218 25776 8249 1 11 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.509 0.685 25776 8250 1 11 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.594 2.571 25776 8251 1 11 . 1 1 94 94 LEU H H 94 8.732 8.732 8.424 0.308 25776 8252 1 11 . 1 1 95 95 LEU N N 95 124.181 124.181 121.792 2.389 25776 8253 1 11 . 1 1 95 95 LEU C C 95 175.270 175.270 174.205 1.065 25776 8254 1 11 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.219 1.314 25776 8255 1 11 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.572 1.101 25776 8256 1 11 . 1 1 95 95 LEU H H 95 9.485 9.485 9.122 0.363 25776 8257 1 11 . 1 1 96 96 LEU N N 96 123.444 123.444 116.462 6.982 25776 8258 1 11 . 1 1 96 96 LEU C C 96 174.997 174.997 175.281 -0.284 25776 8259 1 11 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.915 1.398 25776 8260 1 11 . 1 1 96 96 LEU CB C 96 45.148 45.148 45.681 -0.533 25776 8261 1 11 . 1 1 96 96 LEU H H 96 8.836 8.836 8.861 -0.025 25776 8262 1 11 . 1 1 97 97 GLN N N 97 121.545 121.545 117.153 4.392 25776 8263 1 11 . 1 1 97 97 GLN C C 97 174.324 174.324 173.998 0.326 25776 8264 1 11 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.072 1.316 25776 8265 1 11 . 1 1 97 97 GLN CB C 97 37.524 37.524 32.721 4.803 25776 8266 1 11 . 1 1 97 97 GLN H H 97 9.566 9.566 9.287 0.279 25776 8267 1 11 . 1 1 98 98 TYR N N 98 122.246 122.246 122.453 -0.207 25776 8268 1 11 . 1 1 98 98 TYR C C 98 173.409 173.409 173.950 -0.541 25776 8269 1 11 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.690 -1.035 25776 8270 1 11 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.043 1.165 25776 8271 1 11 . 1 1 98 98 TYR H H 98 9.053 9.053 9.219 -0.166 25776 8272 1 11 . 1 1 99 99 TYR N N 99 126.872 126.872 125.464 1.408 25776 8273 1 11 . 1 1 99 99 TYR C C 99 175.310 175.310 173.890 1.420 25776 8274 1 11 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.773 -0.017 25776 8275 1 11 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.842 1.793 25776 8276 1 11 . 1 1 99 99 TYR H H 99 8.344 8.344 7.158 1.186 25776 8277 1 11 . 1 1 100 100 PRO C C 100 178.304 178.304 177.043 1.261 25776 8278 1 11 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.195 0.215 25776 8279 1 11 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.180 0.927 25776 8280 1 11 . 1 1 101 101 MET N N 101 114.703 114.703 112.013 2.690 25776 8281 1 11 . 1 1 101 101 MET C C 101 178.218 178.218 176.110 2.108 25776 8282 1 11 . 1 1 101 101 MET CA C 101 54.147 54.147 55.256 -1.109 25776 8283 1 11 . 1 1 101 101 MET CB C 101 30.956 30.956 33.239 -2.283 25776 8284 1 11 . 1 1 101 101 MET H H 101 9.432 9.432 7.859 1.573 25776 8285 1 11 . 1 1 102 102 GLY N N 102 117.671 117.671 108.961 8.710 25776 8286 1 11 . 1 1 102 102 GLY C C 102 175.611 175.611 174.124 1.487 25776 8287 1 11 . 1 1 102 102 GLY CA C 102 47.452 47.452 46.559 0.892 25776 8288 1 11 . 1 1 102 102 GLY H H 102 8.671 8.671 8.202 0.469 25776 8289 1 11 . 1 1 103 103 GLY N N 103 111.298 111.298 110.282 1.016 25776 8290 1 11 . 1 1 103 103 GLY C C 103 174.054 174.054 173.261 0.793 25776 8291 1 11 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.898 1.922 25776 8292 1 11 . 1 1 103 103 GLY H H 103 9.436 9.436 8.390 1.046 25776 8293 1 11 . 1 1 104 104 THR N N 104 109.330 109.330 113.566 -4.236 25776 8294 1 11 . 1 1 104 104 THR C C 104 174.248 174.248 173.875 0.373 25776 8295 1 11 . 1 1 104 104 THR CA C 104 61.454 61.454 60.063 1.391 25776 8296 1 11 . 1 1 104 104 THR CB C 104 72.711 72.711 69.707 3.004 25776 8297 1 11 . 1 1 104 104 THR H H 104 7.321 7.321 7.481 -0.160 25776 8298 1 11 . 1 1 105 105 ASN C C 105 175.032 175.032 175.404 -0.372 25776 8299 1 11 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.264 0.149 25776 8300 1 11 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.536 0.307 25776 8301 1 11 . 1 1 106 106 SER N N 106 113.116 113.116 115.290 -2.174 25776 8302 1 11 . 1 1 106 106 SER C C 106 175.961 175.961 173.931 2.030 25776 8303 1 11 . 1 1 106 106 SER CA C 106 59.289 59.289 58.817 0.472 25776 8304 1 11 . 1 1 106 106 SER CB C 106 65.208 65.208 63.998 1.210 25776 8305 1 11 . 1 1 106 106 SER H H 106 7.487 7.487 7.378 0.109 25776 8306 1 11 . 1 1 107 107 ALA N N 107 132.317 132.317 122.576 9.741 25776 8307 1 11 . 1 1 107 107 ALA C C 107 176.554 176.554 175.451 1.103 25776 8308 1 11 . 1 1 107 107 ALA CA C 107 54.999 54.999 51.537 3.462 25776 8309 1 11 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.554 0.976 25776 8310 1 11 . 1 1 107 107 ALA H H 107 8.891 8.891 8.337 0.554 25776 8311 1 11 . 1 1 108 108 PHE N N 108 116.265 116.265 112.492 3.773 25776 8312 1 11 . 1 1 108 108 PHE C C 108 174.254 174.254 172.978 1.276 25776 8313 1 11 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.144 0.520 25776 8314 1 11 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.138 1.097 25776 8315 1 11 . 1 1 108 108 PHE H H 108 7.592 7.592 7.096 0.496 25776 8316 1 11 . 1 1 109 109 GLN N N 109 128.401 128.401 121.839 6.562 25776 8317 1 11 . 1 1 109 109 GLN C C 109 172.298 172.298 174.425 -2.127 25776 8318 1 11 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.737 0.200 25776 8319 1 11 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.398 -0.419 25776 8320 1 11 . 1 1 109 109 GLN H H 109 9.095 9.095 8.447 0.648 25776 8321 1 11 . 1 1 110 110 PRO C C 110 175.005 175.005 175.484 -0.479 25776 8322 1 11 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.764 -0.541 25776 8323 1 11 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.133 1.996 25776 8324 1 11 . 1 1 111 111 TYR N N 111 115.731 115.731 119.055 -3.324 25776 8325 1 11 . 1 1 111 111 TYR C C 111 173.783 173.783 173.372 0.411 25776 8326 1 11 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.066 2.006 25776 8327 1 11 . 1 1 111 111 TYR CB C 111 39.435 39.435 41.067 -1.632 25776 8328 1 11 . 1 1 111 111 TYR H H 111 8.510 8.510 7.908 0.602 25776 8329 1 11 . 1 1 112 112 GLY N N 112 103.737 103.737 108.048 -4.311 25776 8330 1 11 . 1 1 112 112 GLY C C 112 172.014 172.014 172.607 -0.593 25776 8331 1 11 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.124 0.520 25776 8332 1 11 . 1 1 112 112 GLY H H 112 8.149 8.149 8.705 -0.556 25776 8333 1 11 . 1 1 113 113 GLY N N 113 108.372 108.372 110.036 -1.664 25776 8334 1 11 . 1 1 113 113 GLY C C 113 171.486 171.486 172.038 -0.552 25776 8335 1 11 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.766 1.074 25776 8336 1 11 . 1 1 113 113 GLY H H 113 9.028 9.028 9.146 -0.118 25776 8337 1 11 . 1 1 114 114 LEU N N 114 120.469 120.469 119.096 1.373 25776 8338 1 11 . 1 1 114 114 LEU C C 114 175.878 175.878 175.666 0.212 25776 8339 1 11 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.520 2.091 25776 8340 1 11 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.275 2.702 25776 8341 1 11 . 1 1 114 114 LEU H H 114 8.741 8.741 7.929 0.812 25776 8342 1 11 . 1 1 115 115 GLY N N 115 111.145 111.145 106.198 4.947 25776 8343 1 11 . 1 1 115 115 GLY C C 115 171.336 171.336 172.432 -1.096 25776 8344 1 11 . 1 1 115 115 GLY CA C 115 47.855 47.855 44.936 2.919 25776 8345 1 11 . 1 1 115 115 GLY H H 115 8.952 8.952 8.876 0.076 25776 8346 1 11 . 1 1 116 116 VAL N N 116 118.641 118.641 119.164 -0.523 25776 8347 1 11 . 1 1 116 116 VAL C C 116 172.617 172.617 174.299 -1.682 25776 8348 1 11 . 1 1 116 116 VAL CA C 116 60.716 60.716 61.455 -0.739 25776 8349 1 11 . 1 1 116 116 VAL CB C 116 37.372 37.372 36.197 1.175 25776 8350 1 11 . 1 1 116 116 VAL H H 116 8.844 8.844 8.741 0.103 25776 8351 1 11 . 1 1 117 117 ASN N N 117 123.839 123.839 122.823 1.016 25776 8352 1 11 . 1 1 117 117 ASN C C 117 171.105 171.105 173.502 -2.397 25776 8353 1 11 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.571 0.371 25776 8354 1 11 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.002 2.576 25776 8355 1 11 . 1 1 117 117 ASN H H 117 9.647 9.647 8.290 1.357 25776 8356 1 11 . 1 1 118 118 TYR N N 118 125.160 125.160 127.860 -2.700 25776 8357 1 11 . 1 1 118 118 TYR C C 118 174.349 174.349 173.861 0.488 25776 8358 1 11 . 1 1 118 118 TYR CA C 118 56.557 56.557 56.949 -0.392 25776 8359 1 11 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.062 0.502 25776 8360 1 11 . 1 1 118 118 TYR H H 118 8.989 8.989 8.332 0.657 25776 8361 1 11 . 1 1 119 119 THR N N 119 124.319 124.319 120.584 3.735 25776 8362 1 11 . 1 1 119 119 THR C C 119 171.231 171.231 173.631 -2.400 25776 8363 1 11 . 1 1 119 119 THR CA C 119 62.951 62.951 60.278 2.673 25776 8364 1 11 . 1 1 119 119 THR CB C 119 72.427 72.427 70.642 1.785 25776 8365 1 11 . 1 1 119 119 THR H H 119 8.806 8.806 8.092 0.714 25776 8366 1 11 . 1 1 120 120 THR N N 120 119.978 119.978 115.482 4.496 25776 8367 1 11 . 1 1 120 120 THR C C 120 171.174 171.174 173.582 -2.408 25776 8368 1 11 . 1 1 120 120 THR CA C 120 59.197 59.197 61.510 -2.313 25776 8369 1 11 . 1 1 120 120 THR CB C 120 72.088 72.088 69.615 2.473 25776 8370 1 11 . 1 1 120 120 THR H H 120 7.559 7.559 8.077 -0.518 25776 8371 1 11 . 1 1 121 121 PHE C C 121 175.289 175.289 175.892 -0.603 25776 8372 1 11 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.270 3.099 25776 8373 1 11 . 1 1 122 122 PHE N N 122 117.578 117.578 123.565 -5.987 25776 8374 1 11 . 1 1 122 122 PHE C C 122 172.555 172.555 175.273 -2.718 25776 8375 1 11 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.585 -1.701 25776 8376 1 11 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.954 0.277 25776 8377 1 11 . 1 1 122 122 PHE H H 122 8.541 8.541 8.715 -0.174 25776 8378 1 11 . 1 1 123 123 ASP N N 123 116.448 116.448 121.982 -5.534 25776 8379 1 11 . 1 1 123 123 ASP C C 123 175.240 175.240 174.749 0.491 25776 8380 1 11 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.378 2.456 25776 8381 1 11 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.043 -2.199 25776 8382 1 11 . 1 1 123 123 ASP H H 123 8.940 8.940 7.707 1.233 25776 8383 1 11 . 1 1 124 124 GLU C C 124 177.545 177.545 175.404 2.141 25776 8384 1 11 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.137 3.753 25776 8385 1 11 . 1 1 124 124 GLU CB C 124 29.458 29.458 32.577 -3.119 25776 8386 1 11 . 1 1 125 125 ASP N N 125 126.424 126.424 122.278 4.146 25776 8387 1 11 . 1 1 125 125 ASP C C 125 176.191 176.191 176.863 -0.672 25776 8388 1 11 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.307 -0.296 25776 8389 1 11 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.208 2.341 25776 8390 1 11 . 1 1 125 125 ASP H H 125 9.100 9.100 8.552 0.548 25776 8391 1 11 . 1 1 126 126 LEU N N 126 127.990 127.990 121.333 6.657 25776 8392 1 11 . 1 1 126 126 LEU C C 126 175.808 175.808 176.603 -0.795 25776 8393 1 11 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.412 1.856 25776 8394 1 11 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.473 2.383 25776 8395 1 11 . 1 1 126 126 LEU H H 126 8.570 8.570 7.514 1.056 25776 8396 1 11 . 1 1 127 127 ALA N N 127 124.126 124.126 121.516 2.610 25776 8397 1 11 . 1 1 127 127 ALA C C 127 179.833 179.833 177.378 2.455 25776 8398 1 11 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.298 0.423 25776 8399 1 11 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.172 0.887 25776 8400 1 11 . 1 1 127 127 ALA H H 127 7.885 7.885 8.107 -0.222 25776 8401 1 11 . 1 1 129 129 ASN C C 129 176.927 176.927 174.757 2.170 25776 8402 1 11 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.685 -1.212 25776 8403 1 11 . 1 1 130 130 ARG N N 130 117.748 117.748 126.250 -8.502 25776 8404 1 11 . 1 1 130 130 ARG C C 130 179.430 179.430 176.950 2.480 25776 8405 1 11 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.780 -2.937 25776 8406 1 11 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.829 -0.503 25776 8407 1 11 . 1 1 130 130 ARG H H 130 7.435 7.435 8.537 -1.102 25776 8408 1 11 . 1 1 131 131 LYS N N 131 122.261 122.261 116.971 5.290 25776 8409 1 11 . 1 1 131 131 LYS C C 131 180.937 180.937 177.231 3.706 25776 8410 1 11 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.190 2.271 25776 8411 1 11 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.567 1.344 25776 8412 1 11 . 1 1 131 131 LYS H H 131 7.945 7.945 8.376 -0.431 25776 8413 1 11 . 1 1 132 132 ALA N N 132 122.083 122.083 121.687 0.396 25776 8414 1 11 . 1 1 132 132 ALA C C 132 178.748 178.748 178.949 -0.201 25776 8415 1 11 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.254 1.115 25776 8416 1 11 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.156 0.973 25776 8417 1 11 . 1 1 132 132 ALA H H 132 7.770 7.770 8.099 -0.329 25776 8418 1 11 . 1 1 133 133 GLN N N 133 116.102 116.102 115.257 0.845 25776 8419 1 11 . 1 1 133 133 GLN C C 133 175.525 175.525 176.064 -0.539 25776 8420 1 11 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.512 1.586 25776 8421 1 11 . 1 1 133 133 GLN CB C 133 30.355 30.355 30.299 0.056 25776 8422 1 11 . 1 1 133 133 GLN H H 133 7.302 7.302 8.047 -0.745 25776 8423 1 11 . 1 1 134 134 GLY N N 134 104.444 104.444 108.047 -3.603 25776 8424 1 11 . 1 1 134 134 GLY C C 134 174.460 174.460 174.169 0.291 25776 8425 1 11 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.117 0.765 25776 8426 1 11 . 1 1 134 134 GLY H H 134 7.596 7.596 7.876 -0.280 25776 8427 1 11 . 1 1 135 135 PHE N N 135 119.775 119.775 119.566 0.209 25776 8428 1 11 . 1 1 135 135 PHE C C 135 174.922 174.922 175.601 -0.679 25776 8429 1 11 . 1 1 135 135 PHE CA C 135 58.894 58.894 58.489 0.405 25776 8430 1 11 . 1 1 135 135 PHE CB C 135 40.291 40.291 40.044 0.248 25776 8431 1 11 . 1 1 135 135 PHE H H 135 7.737 7.737 7.820 -0.083 25776 8432 1 11 . 1 1 136 136 SER N N 136 115.673 115.673 116.941 -1.268 25776 8433 1 11 . 1 1 136 136 SER C C 136 174.415 174.415 174.202 0.213 25776 8434 1 11 . 1 1 136 136 SER CA C 136 59.679 59.679 58.568 1.111 25776 8435 1 11 . 1 1 136 136 SER CB C 136 66.246 66.246 63.741 2.505 25776 8436 1 11 . 1 1 136 136 SER H H 136 8.862 8.862 8.599 0.263 25776 8437 1 11 . 1 1 137 137 SER N N 137 114.341 114.341 115.804 -1.463 25776 8438 1 11 . 1 1 137 137 SER C C 137 172.164 172.164 174.288 -2.124 25776 8439 1 11 . 1 1 137 137 SER CA C 137 58.955 58.955 57.276 1.679 25776 8440 1 11 . 1 1 137 137 SER CB C 137 65.592 65.592 64.001 1.591 25776 8441 1 11 . 1 1 137 137 SER H H 137 7.912 7.912 7.994 -0.082 25776 8442 1 11 . 1 1 138 138 MET N N 138 120.555 120.555 122.386 -1.831 25776 8443 1 11 . 1 1 138 138 MET C C 138 173.189 173.189 176.707 -3.518 25776 8444 1 11 . 1 1 138 138 MET CA C 138 55.879 55.879 57.126 -1.247 25776 8445 1 11 . 1 1 138 138 MET CB C 138 36.962 36.962 33.280 3.682 25776 8446 1 11 . 1 1 138 138 MET H H 138 8.461 8.461 8.393 0.068 25776 8447 1 11 . 1 1 141 141 GLN C C 141 176.182 176.182 175.097 1.085 25776 8448 1 11 . 1 1 141 141 GLN CB C 141 31.435 31.435 30.637 0.798 25776 8449 1 11 . 1 1 142 142 ASP N N 142 124.414 124.414 120.262 4.152 25776 8450 1 11 . 1 1 142 142 ASP C C 142 175.702 175.702 174.879 0.823 25776 8451 1 11 . 1 1 142 142 ASP CA C 142 56.307 56.307 53.498 2.809 25776 8452 1 11 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.402 0.336 25776 8453 1 11 . 1 1 142 142 ASP H H 142 8.728 8.728 8.332 0.396 25776 8454 1 11 . 1 1 143 143 SER N N 143 114.920 114.920 116.909 -1.989 25776 8455 1 11 . 1 1 143 143 SER C C 143 172.289 172.289 173.796 -1.507 25776 8456 1 11 . 1 1 143 143 SER CA C 143 57.652 57.652 58.089 -0.437 25776 8457 1 11 . 1 1 143 143 SER CB C 143 66.215 66.215 63.797 2.418 25776 8458 1 11 . 1 1 143 143 SER H H 143 8.703 8.703 8.071 0.632 25776 8459 1 11 . 1 1 144 144 TRP N N 144 126.444 126.444 121.539 4.905 25776 8460 1 11 . 1 1 144 144 TRP C C 144 177.307 177.307 175.200 2.107 25776 8461 1 11 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.620 1.255 25776 8462 1 11 . 1 1 144 144 TRP CB C 144 33.364 33.364 31.822 1.542 25776 8463 1 11 . 1 1 144 144 TRP H H 144 8.101 8.101 7.558 0.543 25776 8464 1 11 . 1 1 145 145 GLY N N 145 108.757 108.757 108.135 0.622 25776 8465 1 11 . 1 1 145 145 GLY C C 145 171.985 171.985 172.178 -0.193 25776 8466 1 11 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.998 2.550 25776 8467 1 11 . 1 1 145 145 GLY H H 145 8.889 8.889 8.243 0.646 25776 8468 1 11 . 1 1 146 146 LEU N N 146 121.579 121.579 120.563 1.016 25776 8469 1 11 . 1 1 146 146 LEU C C 146 174.909 174.909 175.832 -0.923 25776 8470 1 11 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.035 2.140 25776 8471 1 11 . 1 1 146 146 LEU CB C 146 45.163 45.163 46.395 -1.232 25776 8472 1 11 . 1 1 146 146 LEU H H 146 9.035 9.035 8.575 0.461 25776 8473 1 11 . 1 1 147 147 ALA N N 147 121.342 121.342 127.968 -6.626 25776 8474 1 11 . 1 1 147 147 ALA C C 147 175.588 175.588 176.254 -0.666 25776 8475 1 11 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.040 0.894 25776 8476 1 11 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.655 2.450 25776 8477 1 11 . 1 1 147 147 ALA H H 147 8.123 8.123 9.093 -0.970 25776 8478 1 11 . 1 1 148 148 GLY N N 148 106.598 106.598 105.768 0.830 25776 8479 1 11 . 1 1 148 148 GLY C C 148 171.829 171.829 172.576 -0.747 25776 8480 1 11 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.163 0.584 25776 8481 1 11 . 1 1 148 148 GLY H H 148 9.216 9.216 8.246 0.970 25776 8482 1 11 . 1 1 149 149 GLU N N 149 122.775 122.775 122.666 0.109 25776 8483 1 11 . 1 1 149 149 GLU C C 149 174.078 174.078 174.097 -0.019 25776 8484 1 11 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.525 0.277 25776 8485 1 11 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.001 4.414 25776 8486 1 11 . 1 1 149 149 GLU H H 149 8.493 8.493 8.647 -0.154 25776 8487 1 11 . 1 1 150 150 LEU N N 150 126.310 126.310 127.101 -0.791 25776 8488 1 11 . 1 1 150 150 LEU C C 150 174.309 174.309 174.273 0.036 25776 8489 1 11 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.322 0.620 25776 8490 1 11 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.845 2.646 25776 8491 1 11 . 1 1 150 150 LEU H H 150 8.580 8.580 7.925 0.655 25776 8492 1 11 . 1 1 151 151 GLY N N 151 109.909 109.909 111.234 -1.325 25776 8493 1 11 . 1 1 151 151 GLY C C 151 170.538 170.538 171.279 -0.741 25776 8494 1 11 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.731 0.889 25776 8495 1 11 . 1 1 151 151 GLY H H 151 8.115 8.115 7.697 0.418 25776 8496 1 11 . 1 1 152 152 PHE N N 152 111.012 111.012 116.054 -5.042 25776 8497 1 11 . 1 1 152 152 PHE C C 152 171.455 171.455 173.968 -2.513 25776 8498 1 11 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.828 1.884 25776 8499 1 11 . 1 1 152 152 PHE CB C 152 42.495 42.495 43.542 -1.047 25776 8500 1 11 . 1 1 152 152 PHE H H 152 8.365 8.365 9.011 -0.646 25776 8501 1 11 . 1 1 153 153 ASP N N 153 119.057 119.057 120.989 -1.932 25776 8502 1 11 . 1 1 153 153 ASP C C 153 176.522 176.522 175.171 1.351 25776 8503 1 11 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.459 0.007 25776 8504 1 11 . 1 1 153 153 ASP CB C 153 45.097 45.097 42.224 2.873 25776 8505 1 11 . 1 1 153 153 ASP H H 153 8.014 8.014 8.632 -0.618 25776 8506 1 11 . 1 1 154 154 TYR N N 154 123.640 123.640 127.404 -3.764 25776 8507 1 11 . 1 1 154 154 TYR C C 154 175.593 175.593 175.400 0.193 25776 8508 1 11 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.453 0.435 25776 8509 1 11 . 1 1 154 154 TYR CB C 154 42.822 42.822 37.900 4.923 25776 8510 1 11 . 1 1 154 154 TYR H H 154 9.744 9.744 8.827 0.917 25776 8511 1 11 . 1 1 155 155 MET N N 155 126.409 126.409 122.349 4.060 25776 8512 1 11 . 1 1 155 155 MET C C 155 174.938 174.938 175.329 -0.391 25776 8513 1 11 . 1 1 155 155 MET CA C 155 55.410 55.410 55.899 -0.489 25776 8514 1 11 . 1 1 155 155 MET CB C 155 29.170 29.170 33.172 -4.002 25776 8515 1 11 . 1 1 155 155 MET H H 155 8.659 8.659 7.973 0.686 25776 8516 1 11 . 1 1 156 156 LEU N N 156 125.396 125.396 124.395 1.001 25776 8517 1 11 . 1 1 156 156 LEU C C 156 177.567 177.567 177.941 -0.374 25776 8518 1 11 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.136 1.437 25776 8519 1 11 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.231 0.681 25776 8520 1 11 . 1 1 156 156 LEU H H 156 9.232 9.232 8.283 0.949 25776 8521 1 11 . 1 1 157 157 ASN N N 157 114.903 114.903 114.901 0.002 25776 8522 1 11 . 1 1 157 157 ASN C C 157 173.568 173.568 175.743 -2.175 25776 8523 1 11 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.812 -1.620 25776 8524 1 11 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.975 0.936 25776 8525 1 11 . 1 1 157 157 ASN H H 157 8.099 8.099 8.078 0.021 25776 8526 1 11 . 1 1 158 158 GLU N N 158 114.724 114.724 117.439 -2.715 25776 8527 1 11 . 1 1 158 158 GLU C C 158 176.032 176.032 177.304 -1.272 25776 8528 1 11 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.017 2.661 25776 8529 1 11 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.528 -0.013 25776 8530 1 11 . 1 1 158 158 GLU H H 158 8.625 8.625 8.830 -0.205 25776 8531 1 11 . 1 1 159 159 HIS N N 159 111.022 111.022 113.449 -2.427 25776 8532 1 11 . 1 1 159 159 HIS C C 159 173.158 173.158 174.038 -0.880 25776 8533 1 11 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.148 1.288 25776 8534 1 11 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.507 1.885 25776 8535 1 11 . 1 1 159 159 HIS H H 159 8.201 8.201 7.771 0.430 25776 8536 1 11 . 1 1 160 160 ALA N N 160 122.967 122.967 120.873 2.094 25776 8537 1 11 . 1 1 160 160 ALA C C 160 176.212 176.212 174.670 1.542 25776 8538 1 11 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.491 0.831 25776 8539 1 11 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.184 1.242 25776 8540 1 11 . 1 1 160 160 ALA H H 160 8.389 8.389 6.883 1.506 25776 8541 1 11 . 1 1 161 161 LEU N N 161 116.648 116.648 115.386 1.262 25776 8542 1 11 . 1 1 161 161 LEU C C 161 174.922 174.922 174.800 0.122 25776 8543 1 11 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.913 0.972 25776 8544 1 11 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.940 1.555 25776 8545 1 11 . 1 1 161 161 LEU H H 161 8.616 8.616 8.354 0.262 25776 8546 1 11 . 1 1 162 162 PHE N N 162 121.938 121.938 118.584 3.354 25776 8547 1 11 . 1 1 162 162 PHE C C 162 171.989 171.989 174.053 -2.064 25776 8548 1 11 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.687 0.331 25776 8549 1 11 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.042 1.047 25776 8550 1 11 . 1 1 162 162 PHE H H 162 9.221 9.221 8.261 0.960 25776 8551 1 11 . 1 1 163 163 ASN N N 163 127.932 127.932 122.868 5.064 25776 8552 1 11 . 1 1 163 163 ASN C C 163 171.357 171.357 173.370 -2.013 25776 8553 1 11 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.762 0.187 25776 8554 1 11 . 1 1 163 163 ASN CB C 163 47.040 47.040 42.311 4.729 25776 8555 1 11 . 1 1 163 163 ASN H H 163 7.735 7.735 8.089 -0.354 25776 8556 1 11 . 1 1 164 164 MET N N 164 120.121 120.121 125.689 -5.568 25776 8557 1 11 . 1 1 164 164 MET C C 164 172.837 172.837 173.263 -0.426 25776 8558 1 11 . 1 1 164 164 MET CA C 164 55.914 55.914 54.163 1.751 25776 8559 1 11 . 1 1 164 164 MET CB C 164 38.643 38.643 36.563 2.080 25776 8560 1 11 . 1 1 164 164 MET H H 164 7.092 7.092 9.308 -2.216 25776 8561 1 11 . 1 1 165 165 ALA N N 165 120.745 120.745 127.408 -6.663 25776 8562 1 11 . 1 1 165 165 ALA C C 165 174.047 174.047 174.078 -0.031 25776 8563 1 11 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.279 1.135 25776 8564 1 11 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.445 0.698 25776 8565 1 11 . 1 1 165 165 ALA H H 165 8.370 8.370 8.275 0.095 25776 8566 1 11 . 1 1 166 166 VAL N N 166 118.385 118.385 113.919 4.466 25776 8567 1 11 . 1 1 166 166 VAL C C 166 172.556 172.556 175.115 -2.559 25776 8568 1 11 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.166 0.462 25776 8569 1 11 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.230 2.897 25776 8570 1 11 . 1 1 166 166 VAL H H 166 8.723 8.723 8.414 0.309 25776 8571 1 11 . 1 1 167 167 TRP N N 167 123.258 123.258 128.300 -5.042 25776 8572 1 11 . 1 1 167 167 TRP C C 167 174.016 174.016 175.605 -1.589 25776 8573 1 11 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.535 2.069 25776 8574 1 11 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.056 3.603 25776 8575 1 11 . 1 1 167 167 TRP H H 167 9.312 9.312 8.073 1.239 25776 8576 1 11 . 1 1 168 168 TYR N N 168 121.455 121.455 127.595 -6.140 25776 8577 1 11 . 1 1 168 168 TYR C C 168 175.110 175.110 176.065 -0.955 25776 8578 1 11 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.572 -1.386 25776 8579 1 11 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.226 2.214 25776 8580 1 11 . 1 1 168 168 TYR H H 168 8.398 8.398 8.337 0.061 25776 8581 1 11 . 1 1 169 169 MET N N 169 124.800 124.800 125.708 -0.908 25776 8582 1 11 . 1 1 169 169 MET C C 169 172.688 172.688 175.805 -3.117 25776 8583 1 11 . 1 1 169 169 MET CA C 169 55.640 55.640 56.245 -0.605 25776 8584 1 11 . 1 1 169 169 MET CB C 169 34.143 34.143 33.060 1.083 25776 8585 1 11 . 1 1 169 169 MET H H 169 8.131 8.131 8.050 0.081 25776 8586 1 11 . 1 1 170 170 ASP N N 170 122.780 122.780 122.204 0.576 25776 8587 1 11 . 1 1 170 170 ASP C C 170 174.864 174.864 176.545 -1.681 25776 8588 1 11 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.821 1.062 25776 8589 1 11 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.803 -0.125 25776 8590 1 11 . 1 1 170 170 ASP H H 170 8.191 8.191 8.264 -0.073 25776 8591 1 11 . 1 1 171 171 ILE N N 171 127.252 127.252 120.938 6.314 25776 8592 1 11 . 1 1 171 171 ILE C C 171 174.476 174.476 174.822 -0.346 25776 8593 1 11 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.825 0.118 25776 8594 1 11 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.803 1.718 25776 8595 1 11 . 1 1 171 171 ILE H H 171 7.805 7.805 8.411 -0.606 25776 8596 1 11 . 1 1 172 172 ASP N N 172 129.369 129.369 126.397 2.972 25776 8597 1 11 . 1 1 172 172 ASP C C 172 174.520 174.520 175.977 -1.457 25776 8598 1 11 . 1 1 172 172 ASP CA C 172 53.801 53.801 52.829 0.972 25776 8599 1 11 . 1 1 172 172 ASP CB C 172 43.089 43.089 44.104 -1.015 25776 8600 1 11 . 1 1 172 172 ASP H H 172 8.541 8.541 8.461 0.080 25776 8601 1 11 . 1 1 173 173 THR N N 173 118.920 118.920 113.739 5.181 25776 8602 1 11 . 1 1 173 173 THR C C 173 172.170 172.170 174.707 -2.537 25776 8603 1 11 . 1 1 173 173 THR CA C 173 60.936 60.936 62.124 -1.188 25776 8604 1 11 . 1 1 173 173 THR CB C 173 70.002 70.002 69.229 0.773 25776 8605 1 11 . 1 1 173 173 THR H H 173 8.814 8.814 8.252 0.562 25776 8606 1 11 . 1 1 176 176 SER C C 176 174.672 174.672 174.309 0.363 25776 8607 1 11 . 1 1 176 176 SER CA C 176 58.834 58.834 58.307 0.527 25776 8608 1 11 . 1 1 176 176 SER CB C 176 64.984 64.984 63.709 1.275 25776 8609 1 11 . 1 1 177 177 ILE N N 177 121.645 121.645 117.992 3.653 25776 8610 1 11 . 1 1 177 177 ILE C C 177 174.945 174.945 174.494 0.451 25776 8611 1 11 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.987 1.359 25776 8612 1 11 . 1 1 177 177 ILE CB C 177 40.139 40.139 37.505 2.634 25776 8613 1 11 . 1 1 177 177 ILE H H 177 7.993 7.993 7.864 0.129 25776 8614 1 11 . 1 1 178 178 ASN N N 178 127.223 127.223 120.399 6.824 25776 8615 1 11 . 1 1 178 178 ASN C C 178 179.120 179.120 175.917 3.203 25776 8616 1 11 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.071 2.592 25776 8617 1 11 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.243 2.675 25776 8618 1 11 . 1 1 178 178 ASN H H 178 7.882 7.882 7.763 0.119 25776 8619 1 11 . 1 1 182 182 ALA N N 182 124.095 124.095 125.393 -1.298 25776 8620 1 11 . 1 1 182 182 ALA C C 182 177.680 177.680 176.560 1.120 25776 8621 1 11 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.465 2.751 25776 8622 1 11 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.138 0.631 25776 8623 1 11 . 1 1 182 182 ALA H H 182 8.100 8.100 8.357 -0.257 25776 8624 1 11 . 1 1 183 183 LEU N N 183 118.394 118.394 122.931 -4.537 25776 8625 1 11 . 1 1 183 183 LEU C C 183 177.352 177.352 177.310 0.042 25776 8626 1 11 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.893 0.934 25776 8627 1 11 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.279 0.905 25776 8628 1 11 . 1 1 183 183 LEU H H 183 7.854 7.854 8.295 -0.441 25776 8629 1 11 . 1 1 184 184 GLY N N 184 107.897 107.897 106.860 1.037 25776 8630 1 11 . 1 1 184 184 GLY C C 184 174.288 174.288 173.550 0.738 25776 8631 1 11 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.388 2.288 25776 8632 1 11 . 1 1 184 184 GLY H H 184 7.883 7.883 8.201 -0.318 25776 8633 1 11 . 1 1 185 185 VAL N N 185 118.254 118.254 119.698 -1.444 25776 8634 1 11 . 1 1 185 185 VAL C C 185 175.475 175.475 176.539 -1.064 25776 8635 1 11 . 1 1 185 185 VAL CA C 185 63.048 63.048 64.186 -1.139 25776 8636 1 11 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.360 1.111 25776 8637 1 11 . 1 1 185 185 VAL H H 185 7.676 7.676 8.724 -1.048 25776 8638 1 11 . 1 1 186 186 ASN N N 186 121.756 121.756 114.250 7.506 25776 8639 1 11 . 1 1 186 186 ASN C C 186 174.724 174.724 175.929 -1.205 25776 8640 1 11 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.663 0.930 25776 8641 1 11 . 1 1 186 186 ASN CB C 186 39.898 39.898 40.144 -0.246 25776 8642 1 11 . 1 1 186 186 ASN H H 186 8.331 8.331 8.484 -0.153 25776 8643 1 11 . 1 1 187 187 LYS N N 187 120.959 120.959 119.729 1.230 25776 8644 1 11 . 1 1 187 187 LYS C C 187 174.652 174.652 176.022 -1.370 25776 8645 1 11 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.693 0.505 25776 8646 1 11 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.216 0.827 25776 8647 1 11 . 1 1 187 187 LYS H H 187 8.031 8.031 8.017 0.014 25776 8648 1 11 . 1 1 189 189 LYS C C 189 176.088 176.088 175.775 0.313 25776 8649 1 11 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.172 1.270 25776 8650 1 11 . 1 1 190 190 VAL N N 190 121.122 121.122 119.754 1.368 25776 8651 1 11 . 1 1 190 190 VAL C C 190 175.545 175.545 174.637 0.908 25776 8652 1 11 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.612 0.509 25776 8653 1 11 . 1 1 190 190 VAL CB C 190 33.948 33.948 31.076 2.872 25776 8654 1 11 . 1 1 190 190 VAL H H 190 8.067 8.067 8.123 -0.056 25776 8655 1 11 . 1 1 191 191 ASP N N 191 124.022 124.022 120.846 3.176 25776 8656 1 11 . 1 1 191 191 ASP C C 191 175.710 175.710 175.785 -0.075 25776 8657 1 11 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.087 1.182 25776 8658 1 11 . 1 1 191 191 ASP CB C 191 41.978 41.978 40.236 1.742 25776 8659 1 11 . 1 1 191 191 ASP H H 191 8.282 8.282 8.390 -0.108 25776 8660 1 11 . 1 1 192 192 VAL N N 192 118.928 118.928 117.559 1.369 25776 8661 1 11 . 1 1 192 192 VAL C C 192 175.433 175.433 176.229 -0.796 25776 8662 1 11 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.161 0.659 25776 8663 1 11 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.920 1.185 25776 8664 1 11 . 1 1 192 192 VAL H H 192 7.877 7.877 7.533 0.344 25776 8665 1 11 . 1 1 193 193 ASP N N 193 124.364 124.364 122.288 2.076 25776 8666 1 11 . 1 1 193 193 ASP C C 193 176.118 176.118 176.678 -0.560 25776 8667 1 11 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.577 -0.366 25776 8668 1 11 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.769 0.265 25776 8669 1 11 . 1 1 193 193 ASP H H 193 8.335 8.335 8.317 0.018 25776 8670 1 11 . 1 1 198 198 VAL N N 198 126.400 126.400 115.867 10.533 25776 8671 1 11 . 1 1 198 198 VAL C C 198 174.600 174.600 173.911 0.689 25776 8672 1 11 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.226 -1.786 25776 8673 1 11 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.986 1.114 25776 8674 1 11 . 1 1 198 198 VAL H H 198 8.474 8.474 8.518 -0.044 25776 8675 1 11 . 1 1 199 199 TYR N N 199 123.900 123.900 126.272 -2.372 25776 8676 1 11 . 1 1 199 199 TYR C C 199 173.600 173.600 175.857 -2.257 25776 8677 1 11 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.290 -1.780 25776 8678 1 11 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.042 -0.412 25776 8679 1 11 . 1 1 199 199 TYR H H 199 8.748 8.748 8.721 0.027 25776 8680 1 11 . 1 1 200 200 MET N N 200 123.700 123.700 120.934 2.766 25776 8681 1 11 . 1 1 200 200 MET CA C 200 49.420 49.420 54.620 -5.200 25776 8682 1 11 . 1 1 200 200 MET H H 200 9.057 9.057 8.564 0.493 25776 8683 1 11 . 1 1 201 201 ILE C C 201 174.016 174.016 174.617 -0.601 25776 8684 1 11 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.420 1.054 25776 8685 1 11 . 1 1 201 201 ILE CB C 201 42.435 42.435 41.644 0.791 25776 8686 1 11 . 1 1 202 202 GLY N N 202 113.215 113.215 110.506 2.709 25776 8687 1 11 . 1 1 202 202 GLY C C 202 170.124 170.124 171.795 -1.671 25776 8688 1 11 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.193 3.367 25776 8689 1 11 . 1 1 202 202 GLY H H 202 8.646 8.646 8.402 0.244 25776 8690 1 11 . 1 1 203 203 PHE N N 203 116.782 116.782 117.265 -0.483 25776 8691 1 11 . 1 1 203 203 PHE C C 203 174.063 174.063 174.784 -0.721 25776 8692 1 11 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.697 -0.246 25776 8693 1 11 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.672 2.027 25776 8694 1 11 . 1 1 203 203 PHE H H 203 8.482 8.482 8.566 -0.084 25776 8695 1 11 . 1 1 204 204 GLY N N 204 105.936 105.936 106.905 -0.969 25776 8696 1 11 . 1 1 204 204 GLY C C 204 171.097 171.097 171.656 -0.559 25776 8697 1 11 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.217 2.257 25776 8698 1 11 . 1 1 204 204 GLY H H 204 9.003 9.003 8.096 0.907 25776 8699 1 11 . 1 1 205 205 TYR N N 205 121.196 121.196 118.903 2.293 25776 8700 1 11 . 1 1 205 205 TYR C C 205 172.994 172.994 173.225 -0.231 25776 8701 1 11 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.187 0.499 25776 8702 1 11 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.819 2.371 25776 8703 1 11 . 1 1 205 205 TYR H H 205 9.413 9.413 9.085 0.328 25776 8704 1 11 . 1 1 206 206 LYS N N 206 126.788 126.788 125.773 1.015 25776 8705 1 11 . 1 1 206 206 LYS C C 206 174.161 174.161 175.380 -1.219 25776 8706 1 11 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.856 0.574 25776 8707 1 11 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.950 1.475 25776 8708 1 11 . 1 1 206 206 LYS H H 206 8.364 8.364 7.937 0.427 25776 8709 1 11 . 1 1 207 207 PHE N N 207 126.168 126.168 122.238 3.930 25776 8710 1 11 . 1 1 207 207 PHE C C 207 175.094 175.094 175.958 -0.864 25776 8711 1 11 . 1 1 207 207 PHE CA C 207 58.690 58.690 59.332 -0.642 25776 8712 1 11 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.852 1.811 25776 8713 1 11 . 1 1 207 207 PHE H H 207 9.308 9.308 8.149 1.159 25776 8714 1 11 . 1 1 208 208 LEU N N 208 123.199 123.199 124.473 -1.274 25776 8715 1 11 . 1 1 208 208 LEU C C 208 176.580 176.580 176.665 -0.085 25776 8716 1 11 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.419 1.052 25776 8717 1 11 . 1 1 208 208 LEU CB C 208 44.713 44.713 44.793 -0.080 25776 8718 1 11 . 1 1 208 208 LEU H H 208 8.376 8.376 8.311 0.065 25776 8719 1 11 . 1 1 209 209 GLU N N 209 121.960 121.960 122.675 -0.715 25776 8720 1 11 . 1 1 209 209 GLU C C 209 176.226 176.226 176.611 -0.385 25776 8721 1 11 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.989 0.743 25776 8722 1 11 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.218 1.235 25776 8723 1 11 . 1 1 209 209 GLU H H 209 8.500 8.500 8.746 -0.246 25776 8724 1 12 . 1 1 2 2 HIS C C 2 175.393 175.393 174.886 0.507 25776 8725 1 12 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.413 -1.609 25776 8726 1 12 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.086 -0.306 25776 8727 1 12 . 1 1 3 3 LYS N N 3 121.908 121.908 119.926 1.982 25776 8728 1 12 . 1 1 3 3 LYS C C 3 173.475 173.475 175.600 -2.125 25776 8729 1 12 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.173 -0.146 25776 8730 1 12 . 1 1 3 3 LYS CB C 3 35.200 35.200 33.908 1.292 25776 8731 1 12 . 1 1 3 3 LYS H H 3 8.608 8.608 8.559 0.049 25776 8732 1 12 . 1 1 4 4 ALA N N 4 120.771 120.771 122.117 -1.346 25776 8733 1 12 . 1 1 4 4 ALA C C 4 178.118 178.118 178.502 -0.384 25776 8734 1 12 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.525 0.914 25776 8735 1 12 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.263 -0.214 25776 8736 1 12 . 1 1 4 4 ALA H H 4 8.581 8.581 8.182 0.399 25776 8737 1 12 . 1 1 5 5 GLY N N 5 112.807 112.807 112.014 0.793 25776 8738 1 12 . 1 1 5 5 GLY C C 5 173.788 173.788 174.122 -0.334 25776 8739 1 12 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.711 0.109 25776 8740 1 12 . 1 1 5 5 GLY H H 5 9.170 9.170 8.538 0.632 25776 8741 1 12 . 1 1 6 6 ASP N N 6 121.504 121.504 121.474 0.030 25776 8742 1 12 . 1 1 6 6 ASP C C 6 174.307 174.307 175.090 -0.783 25776 8743 1 12 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.262 0.556 25776 8744 1 12 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.749 -0.174 25776 8745 1 12 . 1 1 6 6 ASP H H 6 7.619 7.619 7.612 0.007 25776 8746 1 12 . 1 1 7 7 PHE N N 7 121.212 121.212 125.333 -4.121 25776 8747 1 12 . 1 1 7 7 PHE C C 7 174.030 174.030 173.622 0.408 25776 8748 1 12 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.481 -0.880 25776 8749 1 12 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.321 3.755 25776 8750 1 12 . 1 1 7 7 PHE H H 7 8.285 8.285 8.232 0.053 25776 8751 1 12 . 1 1 8 8 ILE N N 8 128.185 128.185 127.506 0.679 25776 8752 1 12 . 1 1 8 8 ILE C C 8 173.961 173.961 173.915 0.046 25776 8753 1 12 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.577 2.146 25776 8754 1 12 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.060 2.608 25776 8755 1 12 . 1 1 8 8 ILE H H 8 9.245 9.245 8.128 1.117 25776 8756 1 12 . 1 1 9 9 ILE N N 9 125.624 125.624 120.833 4.791 25776 8757 1 12 . 1 1 9 9 ILE C C 9 173.731 173.731 174.579 -0.848 25776 8758 1 12 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.074 1.216 25776 8759 1 12 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.942 2.149 25776 8760 1 12 . 1 1 9 9 ILE H H 9 8.628 8.628 7.802 0.826 25776 8761 1 12 . 1 1 10 10 ARG N N 10 125.025 125.025 118.924 6.101 25776 8762 1 12 . 1 1 10 10 ARG C C 10 175.074 175.074 174.534 0.540 25776 8763 1 12 . 1 1 10 10 ARG CA C 10 54.494 54.494 55.102 -0.608 25776 8764 1 12 . 1 1 10 10 ARG CB C 10 32.772 32.772 35.274 -2.502 25776 8765 1 12 . 1 1 10 10 ARG H H 10 9.225 9.225 8.796 0.429 25776 8766 1 12 . 1 1 11 11 GLY N N 11 106.141 106.141 107.646 -1.505 25776 8767 1 12 . 1 1 11 11 GLY C C 11 171.959 171.959 171.547 0.412 25776 8768 1 12 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.377 -0.170 25776 8769 1 12 . 1 1 11 11 GLY H H 11 8.885 8.885 8.290 0.595 25776 8770 1 12 . 1 1 12 12 GLY N N 12 107.818 107.818 107.575 0.243 25776 8771 1 12 . 1 1 12 12 GLY C C 12 171.465 171.465 171.389 0.076 25776 8772 1 12 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.732 2.581 25776 8773 1 12 . 1 1 12 12 GLY H H 12 8.433 8.433 7.754 0.679 25776 8774 1 12 . 1 1 13 13 PHE N N 13 120.233 120.233 118.369 1.864 25776 8775 1 12 . 1 1 13 13 PHE C C 13 174.056 174.056 173.996 0.060 25776 8776 1 12 . 1 1 13 13 PHE CA C 13 57.151 57.151 58.004 -0.853 25776 8777 1 12 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.091 0.534 25776 8778 1 12 . 1 1 13 13 PHE H H 13 8.606 8.606 8.686 -0.080 25776 8779 1 12 . 1 1 18 18 PRO C C 18 176.552 176.552 176.077 0.475 25776 8780 1 12 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.167 0.924 25776 8781 1 12 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.782 0.867 25776 8782 1 12 . 1 1 19 19 ASP N N 19 121.094 121.094 119.988 1.106 25776 8783 1 12 . 1 1 19 19 ASP C C 19 176.047 176.047 175.390 0.657 25776 8784 1 12 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.165 1.109 25776 8785 1 12 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.044 0.999 25776 8786 1 12 . 1 1 19 19 ASP H H 19 8.372 8.372 8.238 0.134 25776 8787 1 12 . 1 1 20 20 ASP N N 20 123.179 123.179 119.145 4.034 25776 8788 1 12 . 1 1 20 20 ASP C C 20 176.790 176.790 176.356 0.434 25776 8789 1 12 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.352 0.743 25776 8790 1 12 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.551 0.283 25776 8791 1 12 . 1 1 20 20 ASP H H 20 8.357 8.357 8.122 0.235 25776 8792 1 12 . 1 1 21 21 SER N N 21 117.319 117.319 116.990 0.329 25776 8793 1 12 . 1 1 21 21 SER C C 21 175.218 175.218 173.882 1.336 25776 8794 1 12 . 1 1 21 21 SER CA C 21 60.134 60.134 59.053 1.081 25776 8795 1 12 . 1 1 21 21 SER CB C 21 64.701 64.701 63.692 1.009 25776 8796 1 12 . 1 1 21 21 SER H H 21 8.398 8.398 7.961 0.437 25776 8797 1 12 . 1 1 22 22 SER N N 22 117.994 117.994 118.714 -0.720 25776 8798 1 12 . 1 1 22 22 SER C C 22 174.877 174.877 173.435 1.442 25776 8799 1 12 . 1 1 22 22 SER CA C 22 59.839 59.839 59.096 0.743 25776 8800 1 12 . 1 1 22 22 SER CB C 22 64.669 64.669 63.377 1.292 25776 8801 1 12 . 1 1 22 22 SER H H 22 8.314 8.314 8.468 -0.154 25776 8802 1 12 . 1 1 23 23 SER N N 23 117.809 117.809 119.702 -1.893 25776 8803 1 12 . 1 1 23 23 SER C C 23 174.298 174.298 173.510 0.788 25776 8804 1 12 . 1 1 23 23 SER CA C 23 59.629 59.629 58.710 0.919 25776 8805 1 12 . 1 1 23 23 SER CB C 23 64.802 64.802 63.316 1.486 25776 8806 1 12 . 1 1 23 23 SER H H 23 8.143 8.143 8.158 -0.015 25776 8807 1 12 . 1 1 24 24 ASP N N 24 122.829 122.829 121.801 1.028 25776 8808 1 12 . 1 1 24 24 ASP C C 24 176.250 176.250 174.780 1.470 25776 8809 1 12 . 1 1 24 24 ASP CA C 24 55.493 55.493 55.822 -0.329 25776 8810 1 12 . 1 1 24 24 ASP CB C 24 41.841 41.841 40.896 0.945 25776 8811 1 12 . 1 1 24 24 ASP H H 24 8.234 8.234 8.323 -0.089 25776 8812 1 12 . 1 1 25 25 ILE N N 25 120.717 120.717 118.470 2.247 25776 8813 1 12 . 1 1 25 25 ILE C C 25 176.204 176.204 175.487 0.717 25776 8814 1 12 . 1 1 25 25 ILE CA C 25 62.556 62.556 62.030 0.526 25776 8815 1 12 . 1 1 25 25 ILE CB C 25 39.668 39.668 36.427 3.241 25776 8816 1 12 . 1 1 25 25 ILE H H 25 7.884 7.884 8.528 -0.644 25776 8817 1 12 . 1 1 26 26 LYS N N 26 124.527 124.527 125.045 -0.518 25776 8818 1 12 . 1 1 26 26 LYS C C 26 176.616 176.616 175.487 1.129 25776 8819 1 12 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.684 0.508 25776 8820 1 12 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.443 0.366 25776 8821 1 12 . 1 1 26 26 LYS H H 26 8.164 8.164 8.162 0.002 25776 8822 1 12 . 1 1 27 27 LEU N N 27 123.292 123.292 120.351 2.941 25776 8823 1 12 . 1 1 27 27 LEU C C 27 177.077 177.077 177.198 -0.121 25776 8824 1 12 . 1 1 27 27 LEU CA C 27 56.173 56.173 56.108 0.065 25776 8825 1 12 . 1 1 27 27 LEU CB C 27 43.317 43.317 43.168 0.149 25776 8826 1 12 . 1 1 27 27 LEU H H 27 8.100 8.100 8.159 -0.059 25776 8827 1 12 . 1 1 28 28 ASP N N 28 121.059 121.059 117.817 3.242 25776 8828 1 12 . 1 1 28 28 ASP C C 28 176.929 176.929 176.589 0.340 25776 8829 1 12 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.280 1.068 25776 8830 1 12 . 1 1 28 28 ASP CB C 28 42.075 42.075 42.280 -0.205 25776 8831 1 12 . 1 1 28 28 ASP H H 28 8.209 8.209 8.415 -0.206 25776 8832 1 12 . 1 1 29 29 GLY N N 29 110.032 110.032 108.186 1.846 25776 8833 1 12 . 1 1 29 29 GLY C C 29 174.364 174.364 173.282 1.082 25776 8834 1 12 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.854 2.024 25776 8835 1 12 . 1 1 29 29 GLY H H 29 8.274 8.274 7.732 0.542 25776 8836 1 12 . 1 1 30 30 ALA N N 30 124.102 124.102 123.006 1.096 25776 8837 1 12 . 1 1 30 30 ALA C C 30 178.005 178.005 176.752 1.253 25776 8838 1 12 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.386 1.438 25776 8839 1 12 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.380 0.747 25776 8840 1 12 . 1 1 30 30 ALA H H 30 8.085 8.085 8.621 -0.536 25776 8841 1 12 . 1 1 31 31 LYS N N 31 119.810 119.810 121.500 -1.690 25776 8842 1 12 . 1 1 31 31 LYS C C 31 176.650 176.650 176.353 0.297 25776 8843 1 12 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.505 0.967 25776 8844 1 12 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.875 1.073 25776 8845 1 12 . 1 1 31 31 LYS H H 31 8.075 8.075 8.695 -0.620 25776 8846 1 12 . 1 1 32 32 GLN N N 32 121.045 121.045 120.182 0.863 25776 8847 1 12 . 1 1 32 32 GLN C C 32 175.862 175.862 175.245 0.617 25776 8848 1 12 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.595 1.344 25776 8849 1 12 . 1 1 32 32 GLN CB C 32 30.194 30.194 30.165 0.029 25776 8850 1 12 . 1 1 32 32 GLN H H 32 8.182 8.182 8.420 -0.238 25776 8851 1 12 . 1 1 33 33 ARG N N 33 122.683 122.683 119.325 3.358 25776 8852 1 12 . 1 1 33 33 ARG C C 33 176.492 176.492 175.730 0.762 25776 8853 1 12 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.612 1.470 25776 8854 1 12 . 1 1 33 33 ARG CB C 33 31.952 31.952 32.109 -0.157 25776 8855 1 12 . 1 1 33 33 ARG H H 33 8.288 8.288 8.535 -0.247 25776 8856 1 12 . 1 1 36 36 LYS C C 36 176.028 176.028 175.581 0.447 25776 8857 1 12 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.203 1.020 25776 8858 1 12 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.460 1.802 25776 8859 1 12 . 1 1 37 37 ALA N N 37 125.793 125.793 126.901 -1.108 25776 8860 1 12 . 1 1 37 37 ALA C C 37 177.567 177.567 177.477 0.090 25776 8861 1 12 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.349 1.219 25776 8862 1 12 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.530 0.878 25776 8863 1 12 . 1 1 37 37 ALA H H 37 8.329 8.329 8.201 0.128 25776 8864 1 12 . 1 1 38 38 THR N N 38 113.398 113.398 112.518 0.880 25776 8865 1 12 . 1 1 38 38 THR C C 38 174.556 174.556 174.472 0.084 25776 8866 1 12 . 1 1 38 38 THR CA C 38 62.551 62.551 62.185 0.366 25776 8867 1 12 . 1 1 38 38 THR CB C 38 71.054 71.054 69.511 1.543 25776 8868 1 12 . 1 1 38 38 THR H H 38 8.007 8.007 8.228 -0.221 25776 8869 1 12 . 1 1 39 39 VAL N N 39 120.865 120.865 121.450 -0.585 25776 8870 1 12 . 1 1 39 39 VAL C C 39 175.523 175.523 176.475 -0.952 25776 8871 1 12 . 1 1 39 39 VAL CA C 39 63.100 63.100 63.236 -0.137 25776 8872 1 12 . 1 1 39 39 VAL CB C 39 34.044 34.044 31.911 2.133 25776 8873 1 12 . 1 1 39 39 VAL H H 39 8.043 8.043 7.922 0.121 25776 8874 1 12 . 1 1 40 40 ASP N N 40 124.053 124.053 119.961 4.092 25776 8875 1 12 . 1 1 40 40 ASP C C 40 176.132 176.132 176.182 -0.050 25776 8876 1 12 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.569 0.712 25776 8877 1 12 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.889 1.330 25776 8878 1 12 . 1 1 40 40 ASP H H 40 8.333 8.333 8.303 0.030 25776 8879 1 12 . 1 1 41 41 SER N N 41 115.655 115.655 119.665 -4.010 25776 8880 1 12 . 1 1 41 41 SER C C 41 174.147 174.147 174.670 -0.523 25776 8881 1 12 . 1 1 41 41 SER CA C 41 59.367 59.367 58.697 0.670 25776 8882 1 12 . 1 1 41 41 SER CB C 41 65.027 65.027 64.520 0.507 25776 8883 1 12 . 1 1 41 41 SER H H 41 8.142 8.142 8.613 -0.471 25776 8884 1 12 . 1 1 42 42 ASP N N 42 123.005 123.005 121.898 1.107 25776 8885 1 12 . 1 1 42 42 ASP C C 42 176.578 176.578 175.073 1.505 25776 8886 1 12 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.811 0.628 25776 8887 1 12 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.641 0.763 25776 8888 1 12 . 1 1 42 42 ASP H H 42 8.433 8.433 7.996 0.437 25776 8889 1 12 . 1 1 43 43 THR C C 43 176.244 176.244 173.730 2.514 25776 8890 1 12 . 1 1 43 43 THR CA C 43 62.772 62.772 61.593 1.179 25776 8891 1 12 . 1 1 43 43 THR CB C 43 71.018 71.018 69.710 1.308 25776 8892 1 12 . 1 1 44 44 GLN N N 44 123.824 123.824 121.308 2.516 25776 8893 1 12 . 1 1 44 44 GLN C C 44 177.061 177.061 174.492 2.569 25776 8894 1 12 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.094 2.185 25776 8895 1 12 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.757 3.905 25776 8896 1 12 . 1 1 44 44 GLN H H 44 8.270 8.270 7.554 0.716 25776 8897 1 12 . 1 1 45 45 LEU N N 45 122.159 122.159 126.245 -4.086 25776 8898 1 12 . 1 1 45 45 LEU C C 45 176.419 176.419 177.165 -0.746 25776 8899 1 12 . 1 1 45 45 LEU CA C 45 56.118 56.118 55.114 1.004 25776 8900 1 12 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.157 0.464 25776 8901 1 12 . 1 1 45 45 LEU H H 45 7.940 7.940 8.209 -0.269 25776 8902 1 12 . 1 1 46 46 GLY N N 46 107.861 107.861 111.089 -3.228 25776 8903 1 12 . 1 1 46 46 GLY C C 46 171.538 171.538 172.276 -0.738 25776 8904 1 12 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.292 0.483 25776 8905 1 12 . 1 1 46 46 GLY H H 46 8.566 8.566 8.004 0.562 25776 8906 1 12 . 1 1 47 47 LEU N N 47 122.959 122.959 124.067 -1.108 25776 8907 1 12 . 1 1 47 47 LEU C C 47 175.422 175.422 175.094 0.328 25776 8908 1 12 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.064 0.267 25776 8909 1 12 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.398 1.945 25776 8910 1 12 . 1 1 47 47 LEU H H 47 8.457 8.457 8.616 -0.159 25776 8911 1 12 . 1 1 48 48 THR N N 48 112.144 112.144 118.783 -6.639 25776 8912 1 12 . 1 1 48 48 THR C C 48 172.347 172.347 173.417 -1.070 25776 8913 1 12 . 1 1 48 48 THR CA C 48 59.573 59.573 61.916 -2.343 25776 8914 1 12 . 1 1 48 48 THR CB C 48 72.843 72.843 71.970 0.873 25776 8915 1 12 . 1 1 48 48 THR H H 48 8.814 8.814 9.216 -0.402 25776 8916 1 12 . 1 1 49 49 PHE N N 49 118.787 118.787 124.413 -5.626 25776 8917 1 12 . 1 1 49 49 PHE C C 49 174.623 174.623 174.859 -0.236 25776 8918 1 12 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.265 -0.528 25776 8919 1 12 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.147 0.839 25776 8920 1 12 . 1 1 49 49 PHE H H 49 8.455 8.455 8.610 -0.155 25776 8921 1 12 . 1 1 50 50 THR N N 50 121.279 121.279 114.215 7.064 25776 8922 1 12 . 1 1 50 50 THR C C 50 173.272 173.272 173.298 -0.026 25776 8923 1 12 . 1 1 50 50 THR CA C 50 63.315 63.315 60.141 3.174 25776 8924 1 12 . 1 1 50 50 THR CB C 50 74.327 74.327 70.923 3.404 25776 8925 1 12 . 1 1 50 50 THR H H 50 9.372 9.372 9.150 0.222 25776 8926 1 12 . 1 1 51 51 TYR N N 51 126.005 126.005 127.341 -1.336 25776 8927 1 12 . 1 1 51 51 TYR C C 51 174.837 174.837 175.969 -1.132 25776 8928 1 12 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.959 -0.099 25776 8929 1 12 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.732 2.715 25776 8930 1 12 . 1 1 51 51 TYR H H 51 9.157 9.157 8.627 0.530 25776 8931 1 12 . 1 1 52 52 MET N N 52 127.601 127.601 124.472 3.129 25776 8932 1 12 . 1 1 52 52 MET C C 52 174.466 174.466 175.265 -0.799 25776 8933 1 12 . 1 1 52 52 MET CA C 52 53.171 53.171 56.888 -3.717 25776 8934 1 12 . 1 1 52 52 MET CB C 52 29.467 29.467 32.853 -3.386 25776 8935 1 12 . 1 1 52 52 MET H H 52 7.998 7.998 8.229 -0.231 25776 8936 1 12 . 1 1 53 53 PHE N N 53 123.918 123.918 124.728 -0.810 25776 8937 1 12 . 1 1 53 53 PHE C C 53 173.685 173.685 175.659 -1.974 25776 8938 1 12 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.657 0.957 25776 8939 1 12 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.464 -2.353 25776 8940 1 12 . 1 1 53 53 PHE H H 53 7.762 7.762 9.149 -1.387 25776 8941 1 12 . 1 1 54 54 ALA N N 54 125.892 125.892 123.418 2.474 25776 8942 1 12 . 1 1 54 54 ALA C C 54 174.976 174.976 178.384 -3.408 25776 8943 1 12 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.691 -2.248 25776 8944 1 12 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.499 4.035 25776 8945 1 12 . 1 1 54 54 ALA H H 54 8.396 8.396 8.635 -0.239 25776 8946 1 12 . 1 1 55 55 ASP N N 55 118.951 118.951 120.354 -1.403 25776 8947 1 12 . 1 1 55 55 ASP C C 55 174.777 174.777 176.068 -1.291 25776 8948 1 12 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.086 2.053 25776 8949 1 12 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.728 0.220 25776 8950 1 12 . 1 1 55 55 ASP H H 55 8.632 8.632 9.174 -0.542 25776 8951 1 12 . 1 1 56 56 LYS N N 56 106.363 106.363 113.980 -7.617 25776 8952 1 12 . 1 1 56 56 LYS C C 56 174.930 174.930 174.642 0.288 25776 8953 1 12 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.325 -0.455 25776 8954 1 12 . 1 1 56 56 LYS CB C 56 35.437 35.437 30.826 4.611 25776 8955 1 12 . 1 1 56 56 LYS H H 56 7.300 7.300 8.630 -1.330 25776 8956 1 12 . 1 1 57 57 TRP N N 57 115.784 115.784 122.352 -6.568 25776 8957 1 12 . 1 1 57 57 TRP C C 57 173.960 173.960 176.729 -2.769 25776 8958 1 12 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.885 -0.928 25776 8959 1 12 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.992 2.184 25776 8960 1 12 . 1 1 57 57 TRP H H 57 6.612 6.612 8.064 -1.452 25776 8961 1 12 . 1 1 58 58 GLY N N 58 107.657 107.657 105.210 2.447 25776 8962 1 12 . 1 1 58 58 GLY C C 58 172.720 172.720 172.640 0.080 25776 8963 1 12 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.544 0.240 25776 8964 1 12 . 1 1 58 58 GLY H H 58 9.271 9.271 8.706 0.565 25776 8965 1 12 . 1 1 59 59 VAL N N 59 118.434 118.434 122.665 -4.231 25776 8966 1 12 . 1 1 59 59 VAL C C 59 172.973 172.973 175.047 -2.074 25776 8967 1 12 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.460 0.178 25776 8968 1 12 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.459 3.577 25776 8969 1 12 . 1 1 59 59 VAL H H 59 9.080 9.080 8.175 0.905 25776 8970 1 12 . 1 1 60 60 GLU N N 60 127.915 127.915 128.167 -0.252 25776 8971 1 12 . 1 1 60 60 GLU C C 60 174.464 174.464 175.235 -0.771 25776 8972 1 12 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.880 -1.129 25776 8973 1 12 . 1 1 60 60 GLU CB C 60 36.042 36.042 32.605 3.437 25776 8974 1 12 . 1 1 60 60 GLU H H 60 9.431 9.431 9.365 0.066 25776 8975 1 12 . 1 1 61 61 LEU N N 61 127.764 127.764 125.810 1.954 25776 8976 1 12 . 1 1 61 61 LEU C C 61 174.746 174.746 174.757 -0.011 25776 8977 1 12 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.844 0.147 25776 8978 1 12 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.250 1.630 25776 8979 1 12 . 1 1 61 61 LEU H H 61 8.730 8.730 8.276 0.454 25776 8980 1 12 . 1 1 62 62 VAL N N 62 126.465 126.465 126.085 0.380 25776 8981 1 12 . 1 1 62 62 VAL C C 62 174.453 174.453 175.236 -0.783 25776 8982 1 12 . 1 1 62 62 VAL CA C 62 62.285 62.285 60.997 1.288 25776 8983 1 12 . 1 1 62 62 VAL CB C 62 35.086 35.086 31.345 3.741 25776 8984 1 12 . 1 1 62 62 VAL H H 62 9.068 9.068 8.104 0.964 25776 8985 1 12 . 1 1 63 63 ALA N N 63 130.444 130.444 129.130 1.314 25776 8986 1 12 . 1 1 63 63 ALA C C 63 174.030 174.030 174.792 -0.762 25776 8987 1 12 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.871 -0.621 25776 8988 1 12 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.008 1.495 25776 8989 1 12 . 1 1 63 63 ALA H H 63 9.124 9.124 8.966 0.158 25776 8990 1 12 . 1 1 64 64 ALA N N 64 121.285 121.285 120.948 0.337 25776 8991 1 12 . 1 1 64 64 ALA C C 64 176.843 176.843 175.210 1.633 25776 8992 1 12 . 1 1 64 64 ALA CA C 64 52.170 52.170 52.640 -0.470 25776 8993 1 12 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.422 2.750 25776 8994 1 12 . 1 1 64 64 ALA H H 64 7.995 7.995 8.292 -0.297 25776 8995 1 12 . 1 1 65 65 THR N N 65 109.734 109.734 115.418 -5.684 25776 8996 1 12 . 1 1 65 65 THR C C 65 176.739 176.739 173.059 3.680 25776 8997 1 12 . 1 1 65 65 THR CA C 65 61.660 61.660 59.271 2.389 25776 8998 1 12 . 1 1 65 65 THR CB C 65 68.341 68.341 69.515 -1.174 25776 8999 1 12 . 1 1 65 65 THR H H 65 8.108 8.108 7.928 0.180 25776 9000 1 12 . 1 1 67 67 PHE N N 67 123.676 123.676 115.034 8.642 25776 9001 1 12 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.107 -0.258 25776 9002 1 12 . 1 1 67 67 PHE H H 67 8.382 8.382 7.293 1.089 25776 9003 1 12 . 1 1 74 74 LYS C C 74 177.704 177.704 176.496 1.208 25776 9004 1 12 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.136 -0.108 25776 9005 1 12 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.043 1.019 25776 9006 1 12 . 1 1 75 75 GLY N N 75 108.841 108.841 108.174 0.667 25776 9007 1 12 . 1 1 75 75 GLY C C 75 174.405 174.405 173.470 0.935 25776 9008 1 12 . 1 1 75 75 GLY CA C 75 46.712 46.712 45.070 1.642 25776 9009 1 12 . 1 1 75 75 GLY H H 75 8.069 8.069 8.181 -0.112 25776 9010 1 12 . 1 1 76 76 LEU N N 76 120.093 120.093 122.506 -2.413 25776 9011 1 12 . 1 1 76 76 LEU C C 76 176.997 176.997 177.001 -0.004 25776 9012 1 12 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.822 1.358 25776 9013 1 12 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.288 2.709 25776 9014 1 12 . 1 1 76 76 LEU H H 76 7.623 7.623 8.246 -0.623 25776 9015 1 12 . 1 1 79 79 GLY C C 79 175.675 175.675 172.916 2.759 25776 9016 1 12 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.259 1.840 25776 9017 1 12 . 1 1 80 80 LEU N N 80 130.062 130.062 122.882 7.180 25776 9018 1 12 . 1 1 80 80 LEU C C 80 176.062 176.062 176.235 -0.173 25776 9019 1 12 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.670 0.734 25776 9020 1 12 . 1 1 80 80 LEU CB C 80 43.006 43.006 45.147 -2.141 25776 9021 1 12 . 1 1 80 80 LEU H H 80 9.441 9.441 7.939 1.502 25776 9022 1 12 . 1 1 81 81 ASP N N 81 124.816 124.816 123.177 1.639 25776 9023 1 12 . 1 1 81 81 ASP C C 81 178.992 178.992 176.020 2.972 25776 9024 1 12 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.644 2.125 25776 9025 1 12 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.679 0.268 25776 9026 1 12 . 1 1 81 81 ASP H H 81 7.854 7.854 8.575 -0.721 25776 9027 1 12 . 1 1 91 91 PRO C C 91 175.297 175.297 175.566 -0.269 25776 9028 1 12 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.040 -1.207 25776 9029 1 12 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.362 1.169 25776 9030 1 12 . 1 1 92 92 ALA N N 92 123.521 123.521 127.702 -4.181 25776 9031 1 12 . 1 1 92 92 ALA C C 92 175.643 175.643 176.321 -0.678 25776 9032 1 12 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.427 1.248 25776 9033 1 12 . 1 1 92 92 ALA CB C 92 22.725 22.725 21.789 0.936 25776 9034 1 12 . 1 1 92 92 ALA H H 92 8.829 8.829 8.045 0.784 25776 9035 1 12 . 1 1 93 93 THR N N 93 117.599 117.599 120.248 -2.649 25776 9036 1 12 . 1 1 93 93 THR C C 93 171.440 171.440 173.707 -2.267 25776 9037 1 12 . 1 1 93 93 THR CA C 93 62.066 62.066 62.472 -0.406 25776 9038 1 12 . 1 1 93 93 THR CB C 93 72.352 72.352 69.976 2.376 25776 9039 1 12 . 1 1 93 93 THR H H 93 8.237 8.237 8.178 0.059 25776 9040 1 12 . 1 1 94 94 LEU N N 94 129.530 129.530 129.504 0.026 25776 9041 1 12 . 1 1 94 94 LEU C C 94 174.995 174.995 174.571 0.424 25776 9042 1 12 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.257 -0.063 25776 9043 1 12 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.848 2.317 25776 9044 1 12 . 1 1 94 94 LEU H H 94 8.732 8.732 8.213 0.519 25776 9045 1 12 . 1 1 95 95 LEU N N 95 124.181 124.181 124.556 -0.375 25776 9046 1 12 . 1 1 95 95 LEU C C 95 175.270 175.270 174.801 0.469 25776 9047 1 12 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.194 1.339 25776 9048 1 12 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.022 0.650 25776 9049 1 12 . 1 1 95 95 LEU H H 95 9.485 9.485 8.685 0.800 25776 9050 1 12 . 1 1 96 96 LEU N N 96 123.444 123.444 120.571 2.873 25776 9051 1 12 . 1 1 96 96 LEU C C 96 174.997 174.997 175.444 -0.447 25776 9052 1 12 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.098 1.215 25776 9053 1 12 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.840 0.308 25776 9054 1 12 . 1 1 96 96 LEU H H 96 8.836 8.836 9.195 -0.359 25776 9055 1 12 . 1 1 97 97 GLN N N 97 121.545 121.545 121.911 -0.366 25776 9056 1 12 . 1 1 97 97 GLN C C 97 174.324 174.324 173.740 0.584 25776 9057 1 12 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.977 0.411 25776 9058 1 12 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.908 5.616 25776 9059 1 12 . 1 1 97 97 GLN H H 97 9.566 9.566 8.998 0.568 25776 9060 1 12 . 1 1 98 98 TYR N N 98 122.246 122.246 123.624 -1.378 25776 9061 1 12 . 1 1 98 98 TYR C C 98 173.409 173.409 173.551 -0.142 25776 9062 1 12 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.685 -0.030 25776 9063 1 12 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.775 1.433 25776 9064 1 12 . 1 1 98 98 TYR H H 98 9.053 9.053 7.943 1.110 25776 9065 1 12 . 1 1 99 99 TYR N N 99 126.872 126.872 127.228 -0.356 25776 9066 1 12 . 1 1 99 99 TYR C C 99 175.310 175.310 174.051 1.259 25776 9067 1 12 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.090 -0.334 25776 9068 1 12 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.954 1.681 25776 9069 1 12 . 1 1 99 99 TYR H H 99 8.344 8.344 8.569 -0.225 25776 9070 1 12 . 1 1 100 100 PRO C C 100 178.304 178.304 176.791 1.513 25776 9071 1 12 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.197 0.213 25776 9072 1 12 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.059 1.048 25776 9073 1 12 . 1 1 101 101 MET N N 101 114.703 114.703 116.899 -2.196 25776 9074 1 12 . 1 1 101 101 MET C C 101 178.218 178.218 176.624 1.594 25776 9075 1 12 . 1 1 101 101 MET CA C 101 54.147 54.147 54.448 -0.301 25776 9076 1 12 . 1 1 101 101 MET CB C 101 30.956 30.956 33.660 -2.704 25776 9077 1 12 . 1 1 101 101 MET H H 101 9.432 9.432 7.923 1.509 25776 9078 1 12 . 1 1 102 102 GLY N N 102 117.671 117.671 106.128 11.543 25776 9079 1 12 . 1 1 102 102 GLY C C 102 175.611 175.611 174.215 1.396 25776 9080 1 12 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.947 2.505 25776 9081 1 12 . 1 1 102 102 GLY H H 102 8.671 8.671 7.769 0.902 25776 9082 1 12 . 1 1 103 103 GLY N N 103 111.298 111.298 110.034 1.264 25776 9083 1 12 . 1 1 103 103 GLY C C 103 174.054 174.054 174.460 -0.406 25776 9084 1 12 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.265 1.555 25776 9085 1 12 . 1 1 103 103 GLY H H 103 9.436 9.436 8.891 0.545 25776 9086 1 12 . 1 1 104 104 THR N N 104 109.330 109.330 113.899 -4.569 25776 9087 1 12 . 1 1 104 104 THR C C 104 174.248 174.248 174.633 -0.385 25776 9088 1 12 . 1 1 104 104 THR CA C 104 61.454 61.454 60.573 0.881 25776 9089 1 12 . 1 1 104 104 THR CB C 104 72.711 72.711 69.919 2.792 25776 9090 1 12 . 1 1 104 104 THR H H 104 7.321 7.321 7.885 -0.564 25776 9091 1 12 . 1 1 105 105 ASN C C 105 175.032 175.032 175.353 -0.321 25776 9092 1 12 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.022 0.391 25776 9093 1 12 . 1 1 105 105 ASN CB C 105 38.843 38.843 37.831 1.012 25776 9094 1 12 . 1 1 106 106 SER N N 106 113.116 113.116 115.836 -2.720 25776 9095 1 12 . 1 1 106 106 SER C C 106 175.961 175.961 175.049 0.912 25776 9096 1 12 . 1 1 106 106 SER CA C 106 59.289 59.289 58.128 1.161 25776 9097 1 12 . 1 1 106 106 SER CB C 106 65.208 65.208 64.310 0.898 25776 9098 1 12 . 1 1 106 106 SER H H 106 7.487 7.487 7.547 -0.060 25776 9099 1 12 . 1 1 107 107 ALA N N 107 132.317 132.317 124.746 7.571 25776 9100 1 12 . 1 1 107 107 ALA C C 107 176.554 176.554 177.700 -1.146 25776 9101 1 12 . 1 1 107 107 ALA CA C 107 54.999 54.999 54.308 0.691 25776 9102 1 12 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.255 0.276 25776 9103 1 12 . 1 1 107 107 ALA H H 107 8.891 8.891 8.654 0.237 25776 9104 1 12 . 1 1 108 108 PHE N N 108 116.265 116.265 117.010 -0.745 25776 9105 1 12 . 1 1 108 108 PHE C C 108 174.254 174.254 175.609 -1.355 25776 9106 1 12 . 1 1 108 108 PHE CA C 108 56.664 56.664 57.317 -0.653 25776 9107 1 12 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.050 1.185 25776 9108 1 12 . 1 1 108 108 PHE H H 108 7.592 7.592 8.114 -0.522 25776 9109 1 12 . 1 1 109 109 GLN N N 109 128.401 128.401 124.631 3.770 25776 9110 1 12 . 1 1 109 109 GLN C C 109 172.298 172.298 174.234 -1.936 25776 9111 1 12 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.367 -0.430 25776 9112 1 12 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.139 0.841 25776 9113 1 12 . 1 1 109 109 GLN H H 109 9.095 9.095 8.950 0.145 25776 9114 1 12 . 1 1 110 110 PRO C C 110 175.005 175.005 176.053 -1.048 25776 9115 1 12 . 1 1 110 110 PRO CA C 110 62.224 62.224 63.392 -1.168 25776 9116 1 12 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.114 2.015 25776 9117 1 12 . 1 1 111 111 TYR N N 111 115.731 115.731 116.708 -0.977 25776 9118 1 12 . 1 1 111 111 TYR C C 111 173.783 173.783 173.440 0.343 25776 9119 1 12 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.212 0.861 25776 9120 1 12 . 1 1 111 111 TYR CB C 111 39.435 39.435 41.435 -2.000 25776 9121 1 12 . 1 1 111 111 TYR H H 111 8.510 8.510 8.428 0.082 25776 9122 1 12 . 1 1 112 112 GLY N N 112 103.737 103.737 106.466 -2.729 25776 9123 1 12 . 1 1 112 112 GLY C C 112 172.014 172.014 172.273 -0.259 25776 9124 1 12 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.913 -0.269 25776 9125 1 12 . 1 1 112 112 GLY H H 112 8.149 8.149 8.618 -0.469 25776 9126 1 12 . 1 1 113 113 GLY N N 113 108.372 108.372 108.341 0.031 25776 9127 1 12 . 1 1 113 113 GLY C C 113 171.486 171.486 171.833 -0.347 25776 9128 1 12 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.457 1.383 25776 9129 1 12 . 1 1 113 113 GLY H H 113 9.028 9.028 8.884 0.144 25776 9130 1 12 . 1 1 114 114 LEU N N 114 120.469 120.469 119.449 1.020 25776 9131 1 12 . 1 1 114 114 LEU C C 114 175.878 175.878 174.868 1.010 25776 9132 1 12 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.815 0.796 25776 9133 1 12 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.878 2.099 25776 9134 1 12 . 1 1 114 114 LEU H H 114 8.741 8.741 7.794 0.947 25776 9135 1 12 . 1 1 115 115 GLY N N 115 111.145 111.145 107.969 3.176 25776 9136 1 12 . 1 1 115 115 GLY C C 115 171.336 171.336 171.699 -0.363 25776 9137 1 12 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.596 2.260 25776 9138 1 12 . 1 1 115 115 GLY H H 115 8.952 8.952 8.921 0.031 25776 9139 1 12 . 1 1 116 116 VAL N N 116 118.641 118.641 114.378 4.263 25776 9140 1 12 . 1 1 116 116 VAL C C 116 172.617 172.617 173.670 -1.053 25776 9141 1 12 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.804 0.912 25776 9142 1 12 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.408 1.964 25776 9143 1 12 . 1 1 116 116 VAL H H 116 8.844 8.844 8.950 -0.106 25776 9144 1 12 . 1 1 117 117 ASN N N 117 123.839 123.839 119.543 4.296 25776 9145 1 12 . 1 1 117 117 ASN C C 117 171.105 171.105 173.435 -2.330 25776 9146 1 12 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.936 1.006 25776 9147 1 12 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.895 2.683 25776 9148 1 12 . 1 1 117 117 ASN H H 117 9.647 9.647 8.926 0.721 25776 9149 1 12 . 1 1 118 118 TYR N N 118 125.160 125.160 124.891 0.269 25776 9150 1 12 . 1 1 118 118 TYR C C 118 174.349 174.349 174.265 0.084 25776 9151 1 12 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.754 -1.197 25776 9152 1 12 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.249 0.315 25776 9153 1 12 . 1 1 118 118 TYR H H 118 8.989 8.989 8.787 0.202 25776 9154 1 12 . 1 1 119 119 THR N N 119 124.319 124.319 120.684 3.635 25776 9155 1 12 . 1 1 119 119 THR C C 119 171.231 171.231 173.987 -2.756 25776 9156 1 12 . 1 1 119 119 THR CA C 119 62.951 62.951 61.333 1.618 25776 9157 1 12 . 1 1 119 119 THR CB C 119 72.427 72.427 70.678 1.749 25776 9158 1 12 . 1 1 119 119 THR H H 119 8.806 8.806 8.444 0.362 25776 9159 1 12 . 1 1 120 120 THR N N 120 119.978 119.978 116.405 3.573 25776 9160 1 12 . 1 1 120 120 THR C C 120 171.174 171.174 174.043 -2.869 25776 9161 1 12 . 1 1 120 120 THR CA C 120 59.197 59.197 61.248 -2.051 25776 9162 1 12 . 1 1 120 120 THR CB C 120 72.088 72.088 70.078 2.010 25776 9163 1 12 . 1 1 120 120 THR H H 120 7.559 7.559 8.158 -0.599 25776 9164 1 12 . 1 1 121 121 PHE C C 121 175.289 175.289 175.413 -0.124 25776 9165 1 12 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.379 2.990 25776 9166 1 12 . 1 1 122 122 PHE N N 122 117.578 117.578 122.329 -4.751 25776 9167 1 12 . 1 1 122 122 PHE C C 122 172.555 172.555 175.186 -2.631 25776 9168 1 12 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.563 -1.679 25776 9169 1 12 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.091 0.140 25776 9170 1 12 . 1 1 122 122 PHE H H 122 8.541 8.541 8.589 -0.048 25776 9171 1 12 . 1 1 123 123 ASP N N 123 116.448 116.448 121.229 -4.781 25776 9172 1 12 . 1 1 123 123 ASP C C 123 175.240 175.240 174.482 0.758 25776 9173 1 12 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.182 2.651 25776 9174 1 12 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.600 -2.756 25776 9175 1 12 . 1 1 123 123 ASP H H 123 8.940 8.940 7.899 1.041 25776 9176 1 12 . 1 1 124 124 GLU C C 124 177.545 177.545 175.585 1.960 25776 9177 1 12 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.018 3.872 25776 9178 1 12 . 1 1 124 124 GLU CB C 124 29.458 29.458 31.737 -2.279 25776 9179 1 12 . 1 1 125 125 ASP N N 125 126.424 126.424 119.639 6.785 25776 9180 1 12 . 1 1 125 125 ASP C C 125 176.191 176.191 175.973 0.218 25776 9181 1 12 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.887 -0.876 25776 9182 1 12 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.238 2.311 25776 9183 1 12 . 1 1 125 125 ASP H H 125 9.100 9.100 8.335 0.765 25776 9184 1 12 . 1 1 126 126 LEU N N 126 127.990 127.990 122.815 5.175 25776 9185 1 12 . 1 1 126 126 LEU C C 126 175.808 175.808 175.852 -0.044 25776 9186 1 12 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.423 1.845 25776 9187 1 12 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.394 3.462 25776 9188 1 12 . 1 1 126 126 LEU H H 126 8.570 8.570 7.722 0.848 25776 9189 1 12 . 1 1 127 127 ALA N N 127 124.126 124.126 128.044 -3.918 25776 9190 1 12 . 1 1 127 127 ALA C C 127 179.833 179.833 177.525 2.308 25776 9191 1 12 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.740 0.981 25776 9192 1 12 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.690 0.369 25776 9193 1 12 . 1 1 127 127 ALA H H 127 7.885 7.885 8.541 -0.656 25776 9194 1 12 . 1 1 129 129 ASN C C 129 176.927 176.927 174.655 2.272 25776 9195 1 12 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.047 -1.573 25776 9196 1 12 . 1 1 130 130 ARG N N 130 117.748 117.748 120.644 -2.896 25776 9197 1 12 . 1 1 130 130 ARG C C 130 179.430 179.430 177.850 1.580 25776 9198 1 12 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.503 -1.660 25776 9199 1 12 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.634 -0.308 25776 9200 1 12 . 1 1 130 130 ARG H H 130 7.435 7.435 8.290 -0.855 25776 9201 1 12 . 1 1 131 131 LYS N N 131 122.261 122.261 119.723 2.538 25776 9202 1 12 . 1 1 131 131 LYS C C 131 180.937 180.937 178.370 2.567 25776 9203 1 12 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.044 2.417 25776 9204 1 12 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.228 0.683 25776 9205 1 12 . 1 1 131 131 LYS H H 131 7.945 7.945 8.473 -0.528 25776 9206 1 12 . 1 1 132 132 ALA N N 132 122.083 122.083 121.222 0.861 25776 9207 1 12 . 1 1 132 132 ALA C C 132 178.748 178.748 179.283 -0.535 25776 9208 1 12 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.365 1.004 25776 9209 1 12 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.957 1.172 25776 9210 1 12 . 1 1 132 132 ALA H H 132 7.770 7.770 8.185 -0.415 25776 9211 1 12 . 1 1 133 133 GLN N N 133 116.102 116.102 117.546 -1.444 25776 9212 1 12 . 1 1 133 133 GLN C C 133 175.525 175.525 177.156 -1.631 25776 9213 1 12 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.849 0.249 25776 9214 1 12 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.265 1.090 25776 9215 1 12 . 1 1 133 133 GLN H H 133 7.302 7.302 7.595 -0.293 25776 9216 1 12 . 1 1 134 134 GLY N N 134 104.444 104.444 108.193 -3.749 25776 9217 1 12 . 1 1 134 134 GLY C C 134 174.460 174.460 174.419 0.041 25776 9218 1 12 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.234 0.648 25776 9219 1 12 . 1 1 134 134 GLY H H 134 7.596 7.596 7.721 -0.125 25776 9220 1 12 . 1 1 135 135 PHE N N 135 119.775 119.775 117.508 2.267 25776 9221 1 12 . 1 1 135 135 PHE C C 135 174.922 174.922 174.915 0.007 25776 9222 1 12 . 1 1 135 135 PHE CA C 135 58.894 58.894 55.342 3.552 25776 9223 1 12 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.062 1.229 25776 9224 1 12 . 1 1 135 135 PHE H H 135 7.737 7.737 7.033 0.704 25776 9225 1 12 . 1 1 136 136 SER N N 136 115.673 115.673 114.412 1.261 25776 9226 1 12 . 1 1 136 136 SER C C 136 174.415 174.415 173.226 1.189 25776 9227 1 12 . 1 1 136 136 SER CA C 136 59.679 59.679 57.931 1.748 25776 9228 1 12 . 1 1 136 136 SER CB C 136 66.246 66.246 63.911 2.335 25776 9229 1 12 . 1 1 136 136 SER H H 136 8.862 8.862 8.554 0.308 25776 9230 1 12 . 1 1 137 137 SER N N 137 114.341 114.341 116.293 -1.952 25776 9231 1 12 . 1 1 137 137 SER C C 137 172.164 172.164 173.759 -1.595 25776 9232 1 12 . 1 1 137 137 SER CA C 137 58.955 58.955 57.885 1.070 25776 9233 1 12 . 1 1 137 137 SER CB C 137 65.592 65.592 64.635 0.957 25776 9234 1 12 . 1 1 137 137 SER H H 137 7.912 7.912 7.797 0.115 25776 9235 1 12 . 1 1 138 138 MET N N 138 120.555 120.555 119.774 0.781 25776 9236 1 12 . 1 1 138 138 MET C C 138 173.189 173.189 175.125 -1.936 25776 9237 1 12 . 1 1 138 138 MET CA C 138 55.879 55.879 56.061 -0.182 25776 9238 1 12 . 1 1 138 138 MET CB C 138 36.962 36.962 31.809 5.152 25776 9239 1 12 . 1 1 138 138 MET H H 138 8.461 8.461 8.566 -0.105 25776 9240 1 12 . 1 1 141 141 GLN C C 141 176.182 176.182 175.403 0.779 25776 9241 1 12 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.512 2.924 25776 9242 1 12 . 1 1 142 142 ASP N N 142 124.414 124.414 122.603 1.811 25776 9243 1 12 . 1 1 142 142 ASP C C 142 175.702 175.702 175.972 -0.270 25776 9244 1 12 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.610 1.697 25776 9245 1 12 . 1 1 142 142 ASP CB C 142 41.738 41.738 44.008 -2.270 25776 9246 1 12 . 1 1 142 142 ASP H H 142 8.728 8.728 8.487 0.241 25776 9247 1 12 . 1 1 143 143 SER N N 143 114.920 114.920 116.428 -1.508 25776 9248 1 12 . 1 1 143 143 SER C C 143 172.289 172.289 172.917 -0.628 25776 9249 1 12 . 1 1 143 143 SER CA C 143 57.652 57.652 58.062 -0.410 25776 9250 1 12 . 1 1 143 143 SER CB C 143 66.215 66.215 64.459 1.756 25776 9251 1 12 . 1 1 143 143 SER H H 143 8.703 8.703 8.665 0.038 25776 9252 1 12 . 1 1 144 144 TRP N N 144 126.444 126.444 122.629 3.815 25776 9253 1 12 . 1 1 144 144 TRP C C 144 177.307 177.307 174.283 3.024 25776 9254 1 12 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.702 1.173 25776 9255 1 12 . 1 1 144 144 TRP CB C 144 33.364 33.364 29.666 3.698 25776 9256 1 12 . 1 1 144 144 TRP H H 144 8.101 8.101 7.825 0.276 25776 9257 1 12 . 1 1 145 145 GLY N N 145 108.757 108.757 107.737 1.020 25776 9258 1 12 . 1 1 145 145 GLY C C 145 171.985 171.985 172.842 -0.857 25776 9259 1 12 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.762 2.786 25776 9260 1 12 . 1 1 145 145 GLY H H 145 8.889 8.889 8.141 0.748 25776 9261 1 12 . 1 1 146 146 LEU N N 146 121.579 121.579 122.540 -0.961 25776 9262 1 12 . 1 1 146 146 LEU C C 146 174.909 174.909 175.795 -0.886 25776 9263 1 12 . 1 1 146 146 LEU CA C 146 56.175 56.175 56.245 -0.070 25776 9264 1 12 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.633 2.530 25776 9265 1 12 . 1 1 146 146 LEU H H 146 9.035 9.035 8.615 0.420 25776 9266 1 12 . 1 1 147 147 ALA N N 147 121.342 121.342 118.777 2.565 25776 9267 1 12 . 1 1 147 147 ALA C C 147 175.588 175.588 176.052 -0.464 25776 9268 1 12 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.719 0.215 25776 9269 1 12 . 1 1 147 147 ALA CB C 147 25.105 25.105 23.237 1.868 25776 9270 1 12 . 1 1 147 147 ALA H H 147 8.123 8.123 8.788 -0.665 25776 9271 1 12 . 1 1 148 148 GLY N N 148 106.598 106.598 107.764 -1.166 25776 9272 1 12 . 1 1 148 148 GLY C C 148 171.829 171.829 171.648 0.181 25776 9273 1 12 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.132 0.616 25776 9274 1 12 . 1 1 148 148 GLY H H 148 9.216 9.216 8.110 1.106 25776 9275 1 12 . 1 1 149 149 GLU N N 149 122.775 122.775 121.448 1.327 25776 9276 1 12 . 1 1 149 149 GLU C C 149 174.078 174.078 174.175 -0.097 25776 9277 1 12 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.627 0.174 25776 9278 1 12 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.743 4.672 25776 9279 1 12 . 1 1 149 149 GLU H H 149 8.493 8.493 8.058 0.435 25776 9280 1 12 . 1 1 150 150 LEU N N 150 126.310 126.310 127.521 -1.211 25776 9281 1 12 . 1 1 150 150 LEU C C 150 174.309 174.309 174.388 -0.079 25776 9282 1 12 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.022 0.920 25776 9283 1 12 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.435 3.055 25776 9284 1 12 . 1 1 150 150 LEU H H 150 8.580 8.580 8.062 0.518 25776 9285 1 12 . 1 1 151 151 GLY N N 151 109.909 109.909 113.025 -3.116 25776 9286 1 12 . 1 1 151 151 GLY C C 151 170.538 170.538 171.467 -0.929 25776 9287 1 12 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.879 0.741 25776 9288 1 12 . 1 1 151 151 GLY H H 151 8.115 8.115 8.410 -0.295 25776 9289 1 12 . 1 1 152 152 PHE N N 152 111.012 111.012 114.024 -3.012 25776 9290 1 12 . 1 1 152 152 PHE C C 152 171.455 171.455 173.010 -1.555 25776 9291 1 12 . 1 1 152 152 PHE CA C 152 58.712 58.712 55.863 2.849 25776 9292 1 12 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.094 0.400 25776 9293 1 12 . 1 1 152 152 PHE H H 152 8.365 8.365 8.002 0.363 25776 9294 1 12 . 1 1 153 153 ASP N N 153 119.057 119.057 121.125 -2.068 25776 9295 1 12 . 1 1 153 153 ASP C C 153 176.522 176.522 174.449 2.073 25776 9296 1 12 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.213 0.253 25776 9297 1 12 . 1 1 153 153 ASP CB C 153 45.097 45.097 44.834 0.263 25776 9298 1 12 . 1 1 153 153 ASP H H 153 8.014 8.014 8.550 -0.536 25776 9299 1 12 . 1 1 154 154 TYR N N 154 123.640 123.640 128.943 -5.303 25776 9300 1 12 . 1 1 154 154 TYR C C 154 175.593 175.593 174.311 1.282 25776 9301 1 12 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.351 1.537 25776 9302 1 12 . 1 1 154 154 TYR CB C 154 42.822 42.822 39.533 3.289 25776 9303 1 12 . 1 1 154 154 TYR H H 154 9.744 9.744 9.004 0.740 25776 9304 1 12 . 1 1 155 155 MET N N 155 126.409 126.409 125.064 1.345 25776 9305 1 12 . 1 1 155 155 MET C C 155 174.938 174.938 174.676 0.262 25776 9306 1 12 . 1 1 155 155 MET CA C 155 55.410 55.410 55.989 -0.579 25776 9307 1 12 . 1 1 155 155 MET CB C 155 29.170 29.170 33.448 -4.278 25776 9308 1 12 . 1 1 155 155 MET H H 155 8.659 8.659 8.314 0.345 25776 9309 1 12 . 1 1 156 156 LEU N N 156 125.396 125.396 123.822 1.574 25776 9310 1 12 . 1 1 156 156 LEU C C 156 177.567 177.567 177.358 0.209 25776 9311 1 12 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.020 1.553 25776 9312 1 12 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.274 1.638 25776 9313 1 12 . 1 1 156 156 LEU H H 156 9.232 9.232 8.205 1.027 25776 9314 1 12 . 1 1 157 157 ASN N N 157 114.903 114.903 113.022 1.881 25776 9315 1 12 . 1 1 157 157 ASN C C 157 173.568 173.568 175.443 -1.875 25776 9316 1 12 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.998 -1.806 25776 9317 1 12 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.911 1.000 25776 9318 1 12 . 1 1 157 157 ASN H H 157 8.099 8.099 7.817 0.282 25776 9319 1 12 . 1 1 158 158 GLU N N 158 114.724 114.724 119.183 -4.459 25776 9320 1 12 . 1 1 158 158 GLU C C 158 176.032 176.032 177.409 -1.377 25776 9321 1 12 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.463 2.215 25776 9322 1 12 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.324 0.191 25776 9323 1 12 . 1 1 158 158 GLU H H 158 8.625 8.625 8.896 -0.271 25776 9324 1 12 . 1 1 159 159 HIS N N 159 111.022 111.022 112.709 -1.687 25776 9325 1 12 . 1 1 159 159 HIS C C 159 173.158 173.158 173.980 -0.822 25776 9326 1 12 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.306 1.130 25776 9327 1 12 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.752 1.640 25776 9328 1 12 . 1 1 159 159 HIS H H 159 8.201 8.201 7.911 0.290 25776 9329 1 12 . 1 1 160 160 ALA N N 160 122.967 122.967 122.235 0.732 25776 9330 1 12 . 1 1 160 160 ALA C C 160 176.212 176.212 174.623 1.589 25776 9331 1 12 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.314 1.008 25776 9332 1 12 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.247 1.179 25776 9333 1 12 . 1 1 160 160 ALA H H 160 8.389 8.389 6.848 1.541 25776 9334 1 12 . 1 1 161 161 LEU N N 161 116.648 116.648 114.472 2.176 25776 9335 1 12 . 1 1 161 161 LEU C C 161 174.922 174.922 174.995 -0.073 25776 9336 1 12 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.766 1.119 25776 9337 1 12 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.989 1.506 25776 9338 1 12 . 1 1 161 161 LEU H H 161 8.616 8.616 8.486 0.130 25776 9339 1 12 . 1 1 162 162 PHE N N 162 121.938 121.938 118.950 2.988 25776 9340 1 12 . 1 1 162 162 PHE C C 162 171.989 171.989 174.533 -2.544 25776 9341 1 12 . 1 1 162 162 PHE CA C 162 57.018 57.018 55.932 1.086 25776 9342 1 12 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.307 0.782 25776 9343 1 12 . 1 1 162 162 PHE H H 162 9.221 9.221 8.697 0.524 25776 9344 1 12 . 1 1 163 163 ASN N N 163 127.932 127.932 122.369 5.563 25776 9345 1 12 . 1 1 163 163 ASN C C 163 171.357 171.357 173.597 -2.240 25776 9346 1 12 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.948 0.001 25776 9347 1 12 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.323 5.717 25776 9348 1 12 . 1 1 163 163 ASN H H 163 7.735 7.735 9.747 -2.012 25776 9349 1 12 . 1 1 164 164 MET N N 164 120.121 120.121 124.268 -4.147 25776 9350 1 12 . 1 1 164 164 MET C C 164 172.837 172.837 173.539 -0.702 25776 9351 1 12 . 1 1 164 164 MET CA C 164 55.914 55.914 53.795 2.119 25776 9352 1 12 . 1 1 164 164 MET CB C 164 38.643 38.643 36.981 1.662 25776 9353 1 12 . 1 1 164 164 MET H H 164 7.092 7.092 8.485 -1.393 25776 9354 1 12 . 1 1 165 165 ALA N N 165 120.745 120.745 124.929 -4.184 25776 9355 1 12 . 1 1 165 165 ALA C C 165 174.047 174.047 174.472 -0.425 25776 9356 1 12 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.460 0.954 25776 9357 1 12 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.178 0.965 25776 9358 1 12 . 1 1 165 165 ALA H H 165 8.370 8.370 8.278 0.092 25776 9359 1 12 . 1 1 166 166 VAL N N 166 118.385 118.385 118.336 0.049 25776 9360 1 12 . 1 1 166 166 VAL C C 166 172.556 172.556 175.351 -2.795 25776 9361 1 12 . 1 1 166 166 VAL CA C 166 60.628 60.628 61.664 -1.036 25776 9362 1 12 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.745 3.382 25776 9363 1 12 . 1 1 166 166 VAL H H 166 8.723 8.723 8.441 0.282 25776 9364 1 12 . 1 1 167 167 TRP N N 167 123.258 123.258 128.579 -5.321 25776 9365 1 12 . 1 1 167 167 TRP C C 167 174.016 174.016 176.230 -2.214 25776 9366 1 12 . 1 1 167 167 TRP CA C 167 57.604 57.604 54.979 2.625 25776 9367 1 12 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.891 3.768 25776 9368 1 12 . 1 1 167 167 TRP H H 167 9.312 9.312 8.479 0.833 25776 9369 1 12 . 1 1 168 168 TYR N N 168 121.455 121.455 125.939 -4.484 25776 9370 1 12 . 1 1 168 168 TYR C C 168 175.110 175.110 174.738 0.372 25776 9371 1 12 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.486 -0.300 25776 9372 1 12 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.434 3.006 25776 9373 1 12 . 1 1 168 168 TYR H H 168 8.398 8.398 8.193 0.205 25776 9374 1 12 . 1 1 169 169 MET N N 169 124.800 124.800 124.449 0.351 25776 9375 1 12 . 1 1 169 169 MET C C 169 172.688 172.688 175.462 -2.774 25776 9376 1 12 . 1 1 169 169 MET CA C 169 55.640 55.640 53.926 1.714 25776 9377 1 12 . 1 1 169 169 MET CB C 169 34.143 34.143 34.688 -0.545 25776 9378 1 12 . 1 1 169 169 MET H H 169 8.131 8.131 8.602 -0.471 25776 9379 1 12 . 1 1 170 170 ASP N N 170 122.780 122.780 126.537 -3.757 25776 9380 1 12 . 1 1 170 170 ASP C C 170 174.864 174.864 174.250 0.614 25776 9381 1 12 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.986 0.897 25776 9382 1 12 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.003 -0.325 25776 9383 1 12 . 1 1 170 170 ASP H H 170 8.191 8.191 8.593 -0.402 25776 9384 1 12 . 1 1 171 171 ILE N N 171 127.252 127.252 121.489 5.763 25776 9385 1 12 . 1 1 171 171 ILE C C 171 174.476 174.476 174.915 -0.439 25776 9386 1 12 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.639 0.304 25776 9387 1 12 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.971 0.550 25776 9388 1 12 . 1 1 171 171 ILE H H 171 7.805 7.805 8.192 -0.387 25776 9389 1 12 . 1 1 172 172 ASP N N 172 129.369 129.369 126.152 3.217 25776 9390 1 12 . 1 1 172 172 ASP C C 172 174.520 174.520 174.670 -0.150 25776 9391 1 12 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.542 -0.741 25776 9392 1 12 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.773 1.316 25776 9393 1 12 . 1 1 172 172 ASP H H 172 8.541 8.541 8.569 -0.028 25776 9394 1 12 . 1 1 173 173 THR N N 173 118.920 118.920 116.496 2.424 25776 9395 1 12 . 1 1 173 173 THR C C 173 172.170 172.170 173.629 -1.459 25776 9396 1 12 . 1 1 173 173 THR CA C 173 60.936 60.936 61.460 -0.524 25776 9397 1 12 . 1 1 173 173 THR CB C 173 70.002 70.002 71.445 -1.444 25776 9398 1 12 . 1 1 173 173 THR H H 173 8.814 8.814 7.970 0.844 25776 9399 1 12 . 1 1 176 176 SER C C 176 174.672 174.672 174.025 0.647 25776 9400 1 12 . 1 1 176 176 SER CA C 176 58.834 58.834 58.946 -0.112 25776 9401 1 12 . 1 1 176 176 SER CB C 176 64.984 64.984 64.310 0.674 25776 9402 1 12 . 1 1 177 177 ILE N N 177 121.645 121.645 119.913 1.732 25776 9403 1 12 . 1 1 177 177 ILE C C 177 174.945 174.945 175.049 -0.104 25776 9404 1 12 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.256 1.090 25776 9405 1 12 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.255 1.884 25776 9406 1 12 . 1 1 177 177 ILE H H 177 7.993 7.993 8.082 -0.089 25776 9407 1 12 . 1 1 178 178 ASN N N 178 127.223 127.223 119.648 7.575 25776 9408 1 12 . 1 1 178 178 ASN C C 178 179.120 179.120 175.131 3.989 25776 9409 1 12 . 1 1 178 178 ASN CA C 178 55.663 55.663 52.446 3.217 25776 9410 1 12 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.806 3.113 25776 9411 1 12 . 1 1 178 178 ASN H H 178 7.882 7.882 8.017 -0.135 25776 9412 1 12 . 1 1 182 182 ALA N N 182 124.095 124.095 128.066 -3.971 25776 9413 1 12 . 1 1 182 182 ALA C C 182 177.680 177.680 176.890 0.790 25776 9414 1 12 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.589 2.627 25776 9415 1 12 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.023 -0.255 25776 9416 1 12 . 1 1 182 182 ALA H H 182 8.100 8.100 8.284 -0.184 25776 9417 1 12 . 1 1 183 183 LEU N N 183 118.394 118.394 119.429 -1.035 25776 9418 1 12 . 1 1 183 183 LEU C C 183 177.352 177.352 175.850 1.502 25776 9419 1 12 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.109 0.718 25776 9420 1 12 . 1 1 183 183 LEU CB C 183 43.184 43.184 41.603 1.581 25776 9421 1 12 . 1 1 183 183 LEU H H 183 7.854 7.854 8.502 -0.648 25776 9422 1 12 . 1 1 184 184 GLY N N 184 107.897 107.897 106.727 1.170 25776 9423 1 12 . 1 1 184 184 GLY C C 184 174.288 174.288 173.838 0.450 25776 9424 1 12 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.921 1.755 25776 9425 1 12 . 1 1 184 184 GLY H H 184 7.883 7.883 7.704 0.179 25776 9426 1 12 . 1 1 185 185 VAL N N 185 118.254 118.254 122.306 -4.052 25776 9427 1 12 . 1 1 185 185 VAL C C 185 175.475 175.475 176.058 -0.583 25776 9428 1 12 . 1 1 185 185 VAL CA C 185 63.048 63.048 62.552 0.496 25776 9429 1 12 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.301 1.170 25776 9430 1 12 . 1 1 185 185 VAL H H 185 7.676 7.676 8.278 -0.602 25776 9431 1 12 . 1 1 186 186 ASN N N 186 121.756 121.756 117.946 3.810 25776 9432 1 12 . 1 1 186 186 ASN C C 186 174.724 174.724 174.568 0.156 25776 9433 1 12 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.876 0.717 25776 9434 1 12 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.898 1.000 25776 9435 1 12 . 1 1 186 186 ASN H H 186 8.331 8.331 8.165 0.166 25776 9436 1 12 . 1 1 187 187 LYS N N 187 120.959 120.959 120.396 0.563 25776 9437 1 12 . 1 1 187 187 LYS C C 187 174.652 174.652 175.902 -1.250 25776 9438 1 12 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.897 0.301 25776 9439 1 12 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.485 0.558 25776 9440 1 12 . 1 1 187 187 LYS H H 187 8.031 8.031 8.445 -0.414 25776 9441 1 12 . 1 1 189 189 LYS C C 189 176.088 176.088 176.115 -0.027 25776 9442 1 12 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.663 1.779 25776 9443 1 12 . 1 1 190 190 VAL N N 190 121.122 121.122 122.356 -1.234 25776 9444 1 12 . 1 1 190 190 VAL C C 190 175.545 175.545 175.040 0.505 25776 9445 1 12 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.585 -0.464 25776 9446 1 12 . 1 1 190 190 VAL CB C 190 33.948 33.948 31.194 2.754 25776 9447 1 12 . 1 1 190 190 VAL H H 190 8.067 8.067 8.952 -0.885 25776 9448 1 12 . 1 1 191 191 ASP N N 191 124.022 124.022 118.430 5.592 25776 9449 1 12 . 1 1 191 191 ASP C C 191 175.710 175.710 175.750 -0.040 25776 9450 1 12 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.092 1.177 25776 9451 1 12 . 1 1 191 191 ASP CB C 191 41.978 41.978 42.420 -0.442 25776 9452 1 12 . 1 1 191 191 ASP H H 191 8.282 8.282 8.030 0.252 25776 9453 1 12 . 1 1 192 192 VAL N N 192 118.928 118.928 117.476 1.452 25776 9454 1 12 . 1 1 192 192 VAL C C 192 175.433 175.433 177.267 -1.834 25776 9455 1 12 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.778 0.042 25776 9456 1 12 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.772 1.333 25776 9457 1 12 . 1 1 192 192 VAL H H 192 7.877 7.877 8.090 -0.213 25776 9458 1 12 . 1 1 193 193 ASP N N 193 124.364 124.364 117.819 6.545 25776 9459 1 12 . 1 1 193 193 ASP C C 193 176.118 176.118 175.799 0.319 25776 9460 1 12 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.836 -0.625 25776 9461 1 12 . 1 1 193 193 ASP CB C 193 42.033 42.033 40.184 1.849 25776 9462 1 12 . 1 1 193 193 ASP H H 193 8.335 8.335 8.768 -0.433 25776 9463 1 12 . 1 1 198 198 VAL N N 198 126.400 126.400 118.447 7.953 25776 9464 1 12 . 1 1 198 198 VAL C C 198 174.600 174.600 174.247 0.353 25776 9465 1 12 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.532 -2.091 25776 9466 1 12 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.934 2.166 25776 9467 1 12 . 1 1 198 198 VAL H H 198 8.474 8.474 8.181 0.293 25776 9468 1 12 . 1 1 199 199 TYR N N 199 123.900 123.900 127.387 -3.487 25776 9469 1 12 . 1 1 199 199 TYR C C 199 173.600 173.600 175.093 -1.493 25776 9470 1 12 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.054 -1.544 25776 9471 1 12 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.330 0.300 25776 9472 1 12 . 1 1 199 199 TYR H H 199 8.748 8.748 8.685 0.063 25776 9473 1 12 . 1 1 200 200 MET N N 200 123.700 123.700 125.039 -1.339 25776 9474 1 12 . 1 1 200 200 MET CA C 200 49.420 49.420 54.416 -4.996 25776 9475 1 12 . 1 1 200 200 MET H H 200 9.057 9.057 8.124 0.933 25776 9476 1 12 . 1 1 201 201 ILE C C 201 174.016 174.016 174.525 -0.509 25776 9477 1 12 . 1 1 201 201 ILE CA C 201 60.474 60.474 60.336 0.138 25776 9478 1 12 . 1 1 201 201 ILE CB C 201 42.435 42.435 39.626 2.809 25776 9479 1 12 . 1 1 202 202 GLY N N 202 113.215 113.215 113.767 -0.552 25776 9480 1 12 . 1 1 202 202 GLY C C 202 170.124 170.124 172.127 -2.003 25776 9481 1 12 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.434 4.126 25776 9482 1 12 . 1 1 202 202 GLY H H 202 8.646 8.646 8.558 0.088 25776 9483 1 12 . 1 1 203 203 PHE N N 203 116.782 116.782 117.062 -0.280 25776 9484 1 12 . 1 1 203 203 PHE C C 203 174.063 174.063 174.040 0.023 25776 9485 1 12 . 1 1 203 203 PHE CA C 203 56.451 56.451 54.809 1.642 25776 9486 1 12 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.883 3.816 25776 9487 1 12 . 1 1 203 203 PHE H H 203 8.482 8.482 7.820 0.662 25776 9488 1 12 . 1 1 204 204 GLY N N 204 105.936 105.936 107.270 -1.334 25776 9489 1 12 . 1 1 204 204 GLY C C 204 171.097 171.097 171.366 -0.269 25776 9490 1 12 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.426 2.048 25776 9491 1 12 . 1 1 204 204 GLY H H 204 9.003 9.003 8.041 0.962 25776 9492 1 12 . 1 1 205 205 TYR N N 205 121.196 121.196 120.063 1.133 25776 9493 1 12 . 1 1 205 205 TYR C C 205 172.994 172.994 173.050 -0.056 25776 9494 1 12 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.806 0.880 25776 9495 1 12 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.883 2.307 25776 9496 1 12 . 1 1 205 205 TYR H H 205 9.413 9.413 7.882 1.531 25776 9497 1 12 . 1 1 206 206 LYS N N 206 126.788 126.788 120.812 5.976 25776 9498 1 12 . 1 1 206 206 LYS C C 206 174.161 174.161 175.155 -0.994 25776 9499 1 12 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.628 0.802 25776 9500 1 12 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.293 1.132 25776 9501 1 12 . 1 1 206 206 LYS H H 206 8.364 8.364 7.943 0.421 25776 9502 1 12 . 1 1 207 207 PHE N N 207 126.168 126.168 124.901 1.267 25776 9503 1 12 . 1 1 207 207 PHE C C 207 175.094 175.094 174.949 0.145 25776 9504 1 12 . 1 1 207 207 PHE CA C 207 58.690 58.690 59.183 -0.493 25776 9505 1 12 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.837 1.826 25776 9506 1 12 . 1 1 207 207 PHE H H 207 9.308 9.308 8.088 1.220 25776 9507 1 12 . 1 1 208 208 LEU N N 208 123.199 123.199 127.551 -4.352 25776 9508 1 12 . 1 1 208 208 LEU C C 208 176.580 176.580 176.988 -0.408 25776 9509 1 12 . 1 1 208 208 LEU CA C 208 55.471 55.471 55.446 0.025 25776 9510 1 12 . 1 1 208 208 LEU CB C 208 44.713 44.713 42.630 2.083 25776 9511 1 12 . 1 1 208 208 LEU H H 208 8.376 8.376 8.190 0.186 25776 9512 1 12 . 1 1 209 209 GLU N N 209 121.960 121.960 117.916 4.044 25776 9513 1 12 . 1 1 209 209 GLU C C 209 176.226 176.226 176.239 -0.013 25776 9514 1 12 . 1 1 209 209 GLU CA C 209 57.732 57.732 57.340 0.392 25776 9515 1 12 . 1 1 209 209 GLU CB C 209 31.453 31.453 29.748 1.705 25776 9516 1 12 . 1 1 209 209 GLU H H 209 8.500 8.500 8.573 -0.073 25776 9517 1 13 . 1 1 2 2 HIS C C 2 175.393 175.393 174.692 0.701 25776 9518 1 13 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.428 -1.624 25776 9519 1 13 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.757 -0.977 25776 9520 1 13 . 1 1 3 3 LYS N N 3 121.908 121.908 120.558 1.350 25776 9521 1 13 . 1 1 3 3 LYS C C 3 173.475 173.475 174.544 -1.069 25776 9522 1 13 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.252 0.775 25776 9523 1 13 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.273 -0.073 25776 9524 1 13 . 1 1 3 3 LYS H H 3 8.608 8.608 8.569 0.039 25776 9525 1 13 . 1 1 4 4 ALA N N 4 120.771 120.771 121.994 -1.223 25776 9526 1 13 . 1 1 4 4 ALA C C 4 178.118 178.118 178.540 -0.422 25776 9527 1 13 . 1 1 4 4 ALA CA C 4 53.439 53.439 53.422 0.017 25776 9528 1 13 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.290 -0.241 25776 9529 1 13 . 1 1 4 4 ALA H H 4 8.581 8.581 8.051 0.530 25776 9530 1 13 . 1 1 5 5 GLY N N 5 112.807 112.807 111.661 1.146 25776 9531 1 13 . 1 1 5 5 GLY C C 5 173.788 173.788 174.796 -1.008 25776 9532 1 13 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.870 -0.050 25776 9533 1 13 . 1 1 5 5 GLY H H 5 9.170 9.170 8.082 1.088 25776 9534 1 13 . 1 1 6 6 ASP N N 6 121.504 121.504 121.925 -0.421 25776 9535 1 13 . 1 1 6 6 ASP C C 6 174.307 174.307 174.679 -0.372 25776 9536 1 13 . 1 1 6 6 ASP CA C 6 55.818 55.818 56.018 -0.200 25776 9537 1 13 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.670 -0.095 25776 9538 1 13 . 1 1 6 6 ASP H H 6 7.619 7.619 7.576 0.043 25776 9539 1 13 . 1 1 7 7 PHE N N 7 121.212 121.212 126.750 -5.538 25776 9540 1 13 . 1 1 7 7 PHE C C 7 174.030 174.030 174.195 -0.165 25776 9541 1 13 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.584 -0.983 25776 9542 1 13 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.173 2.902 25776 9543 1 13 . 1 1 7 7 PHE H H 7 8.285 8.285 8.888 -0.603 25776 9544 1 13 . 1 1 8 8 ILE N N 8 128.185 128.185 127.301 0.884 25776 9545 1 13 . 1 1 8 8 ILE C C 8 173.961 173.961 174.367 -0.406 25776 9546 1 13 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.974 1.749 25776 9547 1 13 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.383 2.286 25776 9548 1 13 . 1 1 8 8 ILE H H 8 9.245 9.245 7.951 1.294 25776 9549 1 13 . 1 1 9 9 ILE N N 9 125.624 125.624 124.430 1.194 25776 9550 1 13 . 1 1 9 9 ILE C C 9 173.731 173.731 174.702 -0.971 25776 9551 1 13 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.434 0.856 25776 9552 1 13 . 1 1 9 9 ILE CB C 9 42.091 42.091 37.136 4.955 25776 9553 1 13 . 1 1 9 9 ILE H H 9 8.628 8.628 8.981 -0.353 25776 9554 1 13 . 1 1 10 10 ARG N N 10 125.025 125.025 127.458 -2.433 25776 9555 1 13 . 1 1 10 10 ARG C C 10 175.074 175.074 174.271 0.803 25776 9556 1 13 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.388 0.106 25776 9557 1 13 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.587 -1.815 25776 9558 1 13 . 1 1 10 10 ARG H H 10 9.225 9.225 8.935 0.290 25776 9559 1 13 . 1 1 11 11 GLY N N 11 106.141 106.141 108.477 -2.336 25776 9560 1 13 . 1 1 11 11 GLY C C 11 171.959 171.959 171.685 0.274 25776 9561 1 13 . 1 1 11 11 GLY CA C 11 45.207 45.207 44.162 1.045 25776 9562 1 13 . 1 1 11 11 GLY H H 11 8.885 8.885 7.701 1.184 25776 9563 1 13 . 1 1 12 12 GLY N N 12 107.818 107.818 105.197 2.621 25776 9564 1 13 . 1 1 12 12 GLY C C 12 171.465 171.465 171.999 -0.534 25776 9565 1 13 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.916 1.397 25776 9566 1 13 . 1 1 12 12 GLY H H 12 8.433 8.433 7.604 0.829 25776 9567 1 13 . 1 1 13 13 PHE N N 13 120.233 120.233 116.203 4.030 25776 9568 1 13 . 1 1 13 13 PHE C C 13 174.056 174.056 173.609 0.447 25776 9569 1 13 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.277 0.874 25776 9570 1 13 . 1 1 13 13 PHE CB C 13 41.625 41.625 40.013 1.612 25776 9571 1 13 . 1 1 13 13 PHE H H 13 8.606 8.606 7.783 0.823 25776 9572 1 13 . 1 1 18 18 PRO C C 18 176.552 176.552 176.813 -0.261 25776 9573 1 13 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.504 1.587 25776 9574 1 13 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.535 1.114 25776 9575 1 13 . 1 1 19 19 ASP N N 19 121.094 121.094 120.935 0.159 25776 9576 1 13 . 1 1 19 19 ASP C C 19 176.047 176.047 178.211 -2.164 25776 9577 1 13 . 1 1 19 19 ASP CA C 19 55.274 55.274 57.221 -1.946 25776 9578 1 13 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.478 1.565 25776 9579 1 13 . 1 1 19 19 ASP H H 19 8.372 8.372 8.715 -0.343 25776 9580 1 13 . 1 1 20 20 ASP N N 20 123.179 123.179 119.057 4.122 25776 9581 1 13 . 1 1 20 20 ASP C C 20 176.790 176.790 177.516 -0.726 25776 9582 1 13 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.898 -0.803 25776 9583 1 13 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.952 0.882 25776 9584 1 13 . 1 1 20 20 ASP H H 20 8.357 8.357 8.416 -0.059 25776 9585 1 13 . 1 1 21 21 SER N N 21 117.319 117.319 113.335 3.984 25776 9586 1 13 . 1 1 21 21 SER C C 21 175.218 175.218 174.445 0.773 25776 9587 1 13 . 1 1 21 21 SER CA C 21 60.134 60.134 59.843 0.291 25776 9588 1 13 . 1 1 21 21 SER CB C 21 64.701 64.701 63.559 1.142 25776 9589 1 13 . 1 1 21 21 SER H H 21 8.398 8.398 7.537 0.861 25776 9590 1 13 . 1 1 22 22 SER N N 22 117.994 117.994 114.512 3.482 25776 9591 1 13 . 1 1 22 22 SER C C 22 174.877 174.877 172.982 1.895 25776 9592 1 13 . 1 1 22 22 SER CA C 22 59.839 59.839 59.409 0.430 25776 9593 1 13 . 1 1 22 22 SER CB C 22 64.669 64.669 62.487 2.182 25776 9594 1 13 . 1 1 22 22 SER H H 22 8.314 8.314 7.831 0.483 25776 9595 1 13 . 1 1 23 23 SER N N 23 117.809 117.809 119.122 -1.313 25776 9596 1 13 . 1 1 23 23 SER C C 23 174.298 174.298 173.628 0.670 25776 9597 1 13 . 1 1 23 23 SER CA C 23 59.629 59.629 56.761 2.868 25776 9598 1 13 . 1 1 23 23 SER CB C 23 64.802 64.802 65.357 -0.555 25776 9599 1 13 . 1 1 23 23 SER H H 23 8.143 8.143 8.101 0.042 25776 9600 1 13 . 1 1 24 24 ASP N N 24 122.829 122.829 121.687 1.142 25776 9601 1 13 . 1 1 24 24 ASP C C 24 176.250 176.250 176.973 -0.723 25776 9602 1 13 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.905 0.588 25776 9603 1 13 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.169 0.672 25776 9604 1 13 . 1 1 24 24 ASP H H 24 8.234 8.234 8.672 -0.438 25776 9605 1 13 . 1 1 25 25 ILE N N 25 120.717 120.717 118.582 2.135 25776 9606 1 13 . 1 1 25 25 ILE C C 25 176.204 176.204 174.652 1.552 25776 9607 1 13 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.488 1.068 25776 9608 1 13 . 1 1 25 25 ILE CB C 25 39.668 39.668 36.797 2.871 25776 9609 1 13 . 1 1 25 25 ILE H H 25 7.884 7.884 7.847 0.037 25776 9610 1 13 . 1 1 26 26 LYS N N 26 124.527 124.527 119.913 4.614 25776 9611 1 13 . 1 1 26 26 LYS C C 26 176.616 176.616 176.342 0.274 25776 9612 1 13 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.607 0.585 25776 9613 1 13 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.096 0.713 25776 9614 1 13 . 1 1 26 26 LYS H H 26 8.164 8.164 7.954 0.210 25776 9615 1 13 . 1 1 27 27 LEU N N 27 123.292 123.292 118.584 4.708 25776 9616 1 13 . 1 1 27 27 LEU C C 27 177.077 177.077 176.043 1.034 25776 9617 1 13 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.036 1.137 25776 9618 1 13 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.407 0.910 25776 9619 1 13 . 1 1 27 27 LEU H H 27 8.100 8.100 8.418 -0.318 25776 9620 1 13 . 1 1 28 28 ASP N N 28 121.059 121.059 120.379 0.680 25776 9621 1 13 . 1 1 28 28 ASP C C 28 176.929 176.929 176.190 0.739 25776 9622 1 13 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.416 0.932 25776 9623 1 13 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.213 0.862 25776 9624 1 13 . 1 1 28 28 ASP H H 28 8.209 8.209 8.101 0.108 25776 9625 1 13 . 1 1 29 29 GLY N N 29 110.032 110.032 107.325 2.707 25776 9626 1 13 . 1 1 29 29 GLY C C 29 174.364 174.364 172.871 1.493 25776 9627 1 13 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.871 2.007 25776 9628 1 13 . 1 1 29 29 GLY H H 29 8.274 8.274 8.378 -0.104 25776 9629 1 13 . 1 1 30 30 ALA N N 30 124.102 124.102 122.940 1.162 25776 9630 1 13 . 1 1 30 30 ALA C C 30 178.005 178.005 176.745 1.260 25776 9631 1 13 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.202 1.623 25776 9632 1 13 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.915 0.212 25776 9633 1 13 . 1 1 30 30 ALA H H 30 8.085 8.085 8.227 -0.142 25776 9634 1 13 . 1 1 31 31 LYS N N 31 119.810 119.810 117.273 2.537 25776 9635 1 13 . 1 1 31 31 LYS C C 31 176.650 176.650 175.130 1.520 25776 9636 1 13 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.742 0.730 25776 9637 1 13 . 1 1 31 31 LYS CB C 31 33.948 33.948 31.767 2.181 25776 9638 1 13 . 1 1 31 31 LYS H H 31 8.075 8.075 8.376 -0.301 25776 9639 1 13 . 1 1 32 32 GLN N N 32 121.045 121.045 118.545 2.500 25776 9640 1 13 . 1 1 32 32 GLN C C 32 175.862 175.862 175.593 0.269 25776 9641 1 13 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.625 1.314 25776 9642 1 13 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.003 1.191 25776 9643 1 13 . 1 1 32 32 GLN H H 32 8.182 8.182 7.990 0.192 25776 9644 1 13 . 1 1 33 33 ARG N N 33 122.683 122.683 119.667 3.016 25776 9645 1 13 . 1 1 33 33 ARG C C 33 176.492 176.492 175.945 0.547 25776 9646 1 13 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.753 0.329 25776 9647 1 13 . 1 1 33 33 ARG CB C 33 31.952 31.952 32.063 -0.111 25776 9648 1 13 . 1 1 33 33 ARG H H 33 8.288 8.288 8.406 -0.118 25776 9649 1 13 . 1 1 36 36 LYS C C 36 176.028 176.028 175.241 0.787 25776 9650 1 13 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.242 0.981 25776 9651 1 13 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.987 1.274 25776 9652 1 13 . 1 1 37 37 ALA N N 37 125.793 125.793 126.858 -1.065 25776 9653 1 13 . 1 1 37 37 ALA C C 37 177.567 177.567 176.080 1.487 25776 9654 1 13 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.633 1.935 25776 9655 1 13 . 1 1 37 37 ALA CB C 37 20.408 20.408 20.245 0.163 25776 9656 1 13 . 1 1 37 37 ALA H H 37 8.329 8.329 8.417 -0.088 25776 9657 1 13 . 1 1 38 38 THR N N 38 113.398 113.398 113.874 -0.476 25776 9658 1 13 . 1 1 38 38 THR C C 38 174.556 174.556 174.014 0.542 25776 9659 1 13 . 1 1 38 38 THR CA C 38 62.551 62.551 62.796 -0.245 25776 9660 1 13 . 1 1 38 38 THR CB C 38 71.054 71.054 68.269 2.784 25776 9661 1 13 . 1 1 38 38 THR H H 38 8.007 8.007 8.185 -0.178 25776 9662 1 13 . 1 1 39 39 VAL N N 39 120.865 120.865 125.059 -4.194 25776 9663 1 13 . 1 1 39 39 VAL C C 39 175.523 175.523 174.570 0.953 25776 9664 1 13 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.230 0.870 25776 9665 1 13 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.722 1.322 25776 9666 1 13 . 1 1 39 39 VAL H H 39 8.043 8.043 8.097 -0.054 25776 9667 1 13 . 1 1 40 40 ASP N N 40 124.053 124.053 121.578 2.475 25776 9668 1 13 . 1 1 40 40 ASP C C 40 176.132 176.132 175.849 0.283 25776 9669 1 13 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.950 0.331 25776 9670 1 13 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.543 0.676 25776 9671 1 13 . 1 1 40 40 ASP H H 40 8.333 8.333 8.129 0.204 25776 9672 1 13 . 1 1 41 41 SER N N 41 115.655 115.655 116.713 -1.058 25776 9673 1 13 . 1 1 41 41 SER C C 41 174.147 174.147 173.012 1.135 25776 9674 1 13 . 1 1 41 41 SER CA C 41 59.367 59.367 58.010 1.357 25776 9675 1 13 . 1 1 41 41 SER CB C 41 65.027 65.027 63.346 1.681 25776 9676 1 13 . 1 1 41 41 SER H H 41 8.142 8.142 8.473 -0.331 25776 9677 1 13 . 1 1 42 42 ASP N N 42 123.005 123.005 121.330 1.675 25776 9678 1 13 . 1 1 42 42 ASP C C 42 176.578 176.578 176.437 0.141 25776 9679 1 13 . 1 1 42 42 ASP CA C 42 55.439 55.439 53.764 1.675 25776 9680 1 13 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.250 0.154 25776 9681 1 13 . 1 1 42 42 ASP H H 42 8.433 8.433 7.825 0.608 25776 9682 1 13 . 1 1 43 43 THR C C 43 176.244 176.244 174.923 1.321 25776 9683 1 13 . 1 1 43 43 THR CA C 43 62.772 62.772 62.321 0.452 25776 9684 1 13 . 1 1 43 43 THR CB C 43 71.018 71.018 69.577 1.441 25776 9685 1 13 . 1 1 44 44 GLN N N 44 123.824 123.824 121.323 2.501 25776 9686 1 13 . 1 1 44 44 GLN C C 44 177.061 177.061 174.948 2.113 25776 9687 1 13 . 1 1 44 44 GLN CA C 44 57.279 57.279 56.690 0.589 25776 9688 1 13 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.459 4.203 25776 9689 1 13 . 1 1 44 44 GLN H H 44 8.270 8.270 8.126 0.144 25776 9690 1 13 . 1 1 45 45 LEU N N 45 122.159 122.159 117.224 4.935 25776 9691 1 13 . 1 1 45 45 LEU C C 45 176.419 176.419 176.019 0.400 25776 9692 1 13 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.684 2.434 25776 9693 1 13 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.813 -1.192 25776 9694 1 13 . 1 1 45 45 LEU H H 45 7.940 7.940 8.143 -0.203 25776 9695 1 13 . 1 1 46 46 GLY N N 46 107.861 107.861 105.153 2.708 25776 9696 1 13 . 1 1 46 46 GLY C C 46 171.538 171.538 171.757 -0.219 25776 9697 1 13 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.438 0.337 25776 9698 1 13 . 1 1 46 46 GLY H H 46 8.566 8.566 8.107 0.459 25776 9699 1 13 . 1 1 47 47 LEU N N 47 122.959 122.959 120.424 2.535 25776 9700 1 13 . 1 1 47 47 LEU C C 47 175.422 175.422 175.111 0.311 25776 9701 1 13 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.517 0.814 25776 9702 1 13 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.267 2.076 25776 9703 1 13 . 1 1 47 47 LEU H H 47 8.457 8.457 7.892 0.565 25776 9704 1 13 . 1 1 48 48 THR N N 48 112.144 112.144 116.825 -4.681 25776 9705 1 13 . 1 1 48 48 THR C C 48 172.347 172.347 173.241 -0.894 25776 9706 1 13 . 1 1 48 48 THR CA C 48 59.573 59.573 61.765 -2.192 25776 9707 1 13 . 1 1 48 48 THR CB C 48 72.843 72.843 71.443 1.400 25776 9708 1 13 . 1 1 48 48 THR H H 48 8.814 8.814 8.805 0.009 25776 9709 1 13 . 1 1 49 49 PHE N N 49 118.787 118.787 124.810 -6.023 25776 9710 1 13 . 1 1 49 49 PHE C C 49 174.623 174.623 175.167 -0.544 25776 9711 1 13 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.133 -1.396 25776 9712 1 13 . 1 1 49 49 PHE CB C 49 42.986 42.986 40.721 2.265 25776 9713 1 13 . 1 1 49 49 PHE H H 49 8.455 8.455 8.740 -0.285 25776 9714 1 13 . 1 1 50 50 THR N N 50 121.279 121.279 113.531 7.748 25776 9715 1 13 . 1 1 50 50 THR C C 50 173.272 173.272 172.982 0.290 25776 9716 1 13 . 1 1 50 50 THR CA C 50 63.315 63.315 60.741 2.574 25776 9717 1 13 . 1 1 50 50 THR CB C 50 74.327 74.327 71.397 2.930 25776 9718 1 13 . 1 1 50 50 THR H H 50 9.372 9.372 7.818 1.554 25776 9719 1 13 . 1 1 51 51 TYR N N 51 126.005 126.005 123.343 2.662 25776 9720 1 13 . 1 1 51 51 TYR C C 51 174.837 174.837 175.249 -0.412 25776 9721 1 13 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.535 0.325 25776 9722 1 13 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.649 2.798 25776 9723 1 13 . 1 1 51 51 TYR H H 51 9.157 9.157 8.209 0.948 25776 9724 1 13 . 1 1 52 52 MET N N 52 127.601 127.601 123.164 4.437 25776 9725 1 13 . 1 1 52 52 MET C C 52 174.466 174.466 174.603 -0.137 25776 9726 1 13 . 1 1 52 52 MET CA C 52 53.171 53.171 55.727 -2.556 25776 9727 1 13 . 1 1 52 52 MET CB C 52 29.467 29.467 33.578 -4.111 25776 9728 1 13 . 1 1 52 52 MET H H 52 7.998 7.998 8.043 -0.045 25776 9729 1 13 . 1 1 53 53 PHE N N 53 123.918 123.918 126.787 -2.869 25776 9730 1 13 . 1 1 53 53 PHE C C 53 173.685 173.685 175.562 -1.877 25776 9731 1 13 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.739 0.875 25776 9732 1 13 . 1 1 53 53 PHE CB C 53 40.111 40.111 40.641 -0.530 25776 9733 1 13 . 1 1 53 53 PHE H H 53 7.762 7.762 9.120 -1.358 25776 9734 1 13 . 1 1 54 54 ALA N N 54 125.892 125.892 127.544 -1.652 25776 9735 1 13 . 1 1 54 54 ALA C C 54 174.976 174.976 177.013 -2.037 25776 9736 1 13 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.290 -1.847 25776 9737 1 13 . 1 1 54 54 ALA CB C 54 23.534 23.534 17.800 5.734 25776 9738 1 13 . 1 1 54 54 ALA H H 54 8.396 8.396 8.473 -0.078 25776 9739 1 13 . 1 1 55 55 ASP N N 55 118.951 118.951 119.174 -0.223 25776 9740 1 13 . 1 1 55 55 ASP C C 55 174.777 174.777 175.807 -1.030 25776 9741 1 13 . 1 1 55 55 ASP CA C 55 59.139 59.139 55.530 3.609 25776 9742 1 13 . 1 1 55 55 ASP CB C 55 40.948 40.948 39.727 1.221 25776 9743 1 13 . 1 1 55 55 ASP H H 55 8.632 8.632 8.465 0.167 25776 9744 1 13 . 1 1 56 56 LYS N N 56 106.363 106.363 115.323 -8.960 25776 9745 1 13 . 1 1 56 56 LYS C C 56 174.930 174.930 174.670 0.260 25776 9746 1 13 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.857 -0.987 25776 9747 1 13 . 1 1 56 56 LYS CB C 56 35.437 35.437 35.282 0.155 25776 9748 1 13 . 1 1 56 56 LYS H H 56 7.300 7.300 8.049 -0.749 25776 9749 1 13 . 1 1 57 57 TRP N N 57 115.784 115.784 117.843 -2.059 25776 9750 1 13 . 1 1 57 57 TRP C C 57 173.960 173.960 174.835 -0.875 25776 9751 1 13 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.024 -1.067 25776 9752 1 13 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.688 1.488 25776 9753 1 13 . 1 1 57 57 TRP H H 57 6.612 6.612 7.709 -1.097 25776 9754 1 13 . 1 1 58 58 GLY N N 58 107.657 107.657 104.832 2.825 25776 9755 1 13 . 1 1 58 58 GLY C C 58 172.720 172.720 171.665 1.055 25776 9756 1 13 . 1 1 58 58 GLY CA C 58 45.784 45.784 44.656 1.128 25776 9757 1 13 . 1 1 58 58 GLY H H 58 9.271 9.271 8.647 0.624 25776 9758 1 13 . 1 1 59 59 VAL N N 59 118.434 118.434 118.156 0.278 25776 9759 1 13 . 1 1 59 59 VAL C C 59 172.973 172.973 174.055 -1.082 25776 9760 1 13 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.063 -0.425 25776 9761 1 13 . 1 1 59 59 VAL CB C 59 36.036 36.036 36.436 -0.400 25776 9762 1 13 . 1 1 59 59 VAL H H 59 9.080 9.080 8.283 0.797 25776 9763 1 13 . 1 1 60 60 GLU N N 60 127.915 127.915 123.894 4.021 25776 9764 1 13 . 1 1 60 60 GLU C C 60 174.464 174.464 174.489 -0.025 25776 9765 1 13 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.855 -1.104 25776 9766 1 13 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.764 2.279 25776 9767 1 13 . 1 1 60 60 GLU H H 60 9.431 9.431 8.999 0.432 25776 9768 1 13 . 1 1 61 61 LEU N N 61 127.764 127.764 123.320 4.444 25776 9769 1 13 . 1 1 61 61 LEU C C 61 174.746 174.746 174.449 0.297 25776 9770 1 13 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.520 -0.529 25776 9771 1 13 . 1 1 61 61 LEU CB C 61 46.880 46.880 44.325 2.554 25776 9772 1 13 . 1 1 61 61 LEU H H 61 8.730 8.730 8.460 0.270 25776 9773 1 13 . 1 1 62 62 VAL N N 62 126.465 126.465 124.615 1.850 25776 9774 1 13 . 1 1 62 62 VAL C C 62 174.453 174.453 174.083 0.370 25776 9775 1 13 . 1 1 62 62 VAL CA C 62 62.285 62.285 59.986 2.299 25776 9776 1 13 . 1 1 62 62 VAL CB C 62 35.086 35.086 34.071 1.015 25776 9777 1 13 . 1 1 62 62 VAL H H 62 9.068 9.068 8.022 1.046 25776 9778 1 13 . 1 1 63 63 ALA N N 63 130.444 130.444 129.075 1.369 25776 9779 1 13 . 1 1 63 63 ALA C C 63 174.030 174.030 175.214 -1.184 25776 9780 1 13 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.791 -0.541 25776 9781 1 13 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.661 0.842 25776 9782 1 13 . 1 1 63 63 ALA H H 63 9.124 9.124 8.827 0.297 25776 9783 1 13 . 1 1 64 64 ALA N N 64 121.285 121.285 124.878 -3.593 25776 9784 1 13 . 1 1 64 64 ALA C C 64 176.843 176.843 177.265 -0.422 25776 9785 1 13 . 1 1 64 64 ALA CA C 64 52.170 52.170 52.342 -0.172 25776 9786 1 13 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.271 3.901 25776 9787 1 13 . 1 1 64 64 ALA H H 64 7.995 7.995 8.518 -0.523 25776 9788 1 13 . 1 1 65 65 THR N N 65 109.734 109.734 113.514 -3.780 25776 9789 1 13 . 1 1 65 65 THR C C 65 176.739 176.739 172.726 4.013 25776 9790 1 13 . 1 1 65 65 THR CA C 65 61.660 61.660 58.170 3.490 25776 9791 1 13 . 1 1 65 65 THR CB C 65 68.341 68.341 70.579 -2.238 25776 9792 1 13 . 1 1 65 65 THR H H 65 8.108 8.108 7.851 0.258 25776 9793 1 13 . 1 1 67 67 PHE N N 67 123.676 123.676 119.906 3.770 25776 9794 1 13 . 1 1 67 67 PHE CA C 67 56.849 56.849 59.017 -2.168 25776 9795 1 13 . 1 1 67 67 PHE H H 67 8.382 8.382 8.499 -0.117 25776 9796 1 13 . 1 1 74 74 LYS C C 74 177.704 177.704 177.431 0.273 25776 9797 1 13 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.692 -0.664 25776 9798 1 13 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.533 1.529 25776 9799 1 13 . 1 1 75 75 GLY N N 75 108.841 108.841 106.146 2.695 25776 9800 1 13 . 1 1 75 75 GLY C C 75 174.405 174.405 173.447 0.958 25776 9801 1 13 . 1 1 75 75 GLY CA C 75 46.712 46.712 45.072 1.639 25776 9802 1 13 . 1 1 75 75 GLY H H 75 8.069 8.069 7.819 0.250 25776 9803 1 13 . 1 1 76 76 LEU N N 76 120.093 120.093 121.907 -1.814 25776 9804 1 13 . 1 1 76 76 LEU C C 76 176.997 176.997 176.236 0.761 25776 9805 1 13 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.776 1.404 25776 9806 1 13 . 1 1 76 76 LEU CB C 76 45.997 45.997 41.197 4.800 25776 9807 1 13 . 1 1 76 76 LEU H H 76 7.623 7.623 8.162 -0.539 25776 9808 1 13 . 1 1 79 79 GLY C C 79 175.675 175.675 174.218 1.457 25776 9809 1 13 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.165 1.934 25776 9810 1 13 . 1 1 80 80 LEU N N 80 130.062 130.062 120.306 9.756 25776 9811 1 13 . 1 1 80 80 LEU C C 80 176.062 176.062 176.371 -0.309 25776 9812 1 13 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.532 -0.128 25776 9813 1 13 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.349 0.657 25776 9814 1 13 . 1 1 80 80 LEU H H 80 9.441 9.441 7.878 1.563 25776 9815 1 13 . 1 1 81 81 ASP N N 81 124.816 124.816 118.399 6.417 25776 9816 1 13 . 1 1 81 81 ASP C C 81 178.992 178.992 176.396 2.596 25776 9817 1 13 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.842 1.927 25776 9818 1 13 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.566 0.380 25776 9819 1 13 . 1 1 81 81 ASP H H 81 7.854 7.854 7.994 -0.140 25776 9820 1 13 . 1 1 91 91 PRO C C 91 175.297 175.297 175.290 0.007 25776 9821 1 13 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.418 -0.585 25776 9822 1 13 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.367 1.164 25776 9823 1 13 . 1 1 92 92 ALA N N 92 123.521 123.521 121.638 1.883 25776 9824 1 13 . 1 1 92 92 ALA C C 92 175.643 175.643 175.325 0.318 25776 9825 1 13 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.075 2.600 25776 9826 1 13 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.395 0.330 25776 9827 1 13 . 1 1 92 92 ALA H H 92 8.829 8.829 7.724 1.105 25776 9828 1 13 . 1 1 93 93 THR N N 93 117.599 117.599 115.550 2.049 25776 9829 1 13 . 1 1 93 93 THR C C 93 171.440 171.440 172.465 -1.025 25776 9830 1 13 . 1 1 93 93 THR CA C 93 62.066 62.066 61.752 0.314 25776 9831 1 13 . 1 1 93 93 THR CB C 93 72.352 72.352 70.941 1.411 25776 9832 1 13 . 1 1 93 93 THR H H 93 8.237 8.237 7.951 0.286 25776 9833 1 13 . 1 1 94 94 LEU N N 94 129.530 129.530 125.052 4.478 25776 9834 1 13 . 1 1 94 94 LEU C C 94 174.995 174.995 175.224 -0.229 25776 9835 1 13 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.843 0.351 25776 9836 1 13 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.948 2.217 25776 9837 1 13 . 1 1 94 94 LEU H H 94 8.732 8.732 8.298 0.434 25776 9838 1 13 . 1 1 95 95 LEU N N 95 124.181 124.181 120.712 3.469 25776 9839 1 13 . 1 1 95 95 LEU C C 95 175.270 175.270 174.570 0.700 25776 9840 1 13 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.927 0.606 25776 9841 1 13 . 1 1 95 95 LEU CB C 95 46.672 46.672 47.204 -0.532 25776 9842 1 13 . 1 1 95 95 LEU H H 95 9.485 9.485 9.197 0.288 25776 9843 1 13 . 1 1 96 96 LEU N N 96 123.444 123.444 123.334 0.110 25776 9844 1 13 . 1 1 96 96 LEU C C 96 174.997 174.997 174.857 0.140 25776 9845 1 13 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.300 1.013 25776 9846 1 13 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.381 0.767 25776 9847 1 13 . 1 1 96 96 LEU H H 96 8.836 8.836 9.135 -0.299 25776 9848 1 13 . 1 1 97 97 GLN N N 97 121.545 121.545 122.919 -1.374 25776 9849 1 13 . 1 1 97 97 GLN C C 97 174.324 174.324 174.816 -0.492 25776 9850 1 13 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.794 0.594 25776 9851 1 13 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.158 6.366 25776 9852 1 13 . 1 1 97 97 GLN H H 97 9.566 9.566 8.866 0.700 25776 9853 1 13 . 1 1 98 98 TYR N N 98 122.246 122.246 125.970 -3.724 25776 9854 1 13 . 1 1 98 98 TYR C C 98 173.409 173.409 174.299 -0.890 25776 9855 1 13 . 1 1 98 98 TYR CA C 98 55.655 55.655 57.354 -1.699 25776 9856 1 13 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.143 2.065 25776 9857 1 13 . 1 1 98 98 TYR H H 98 9.053 9.053 9.246 -0.193 25776 9858 1 13 . 1 1 99 99 TYR N N 99 126.872 126.872 127.892 -1.020 25776 9859 1 13 . 1 1 99 99 TYR C C 99 175.310 175.310 174.126 1.184 25776 9860 1 13 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.022 -0.266 25776 9861 1 13 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.313 1.322 25776 9862 1 13 . 1 1 99 99 TYR H H 99 8.344 8.344 7.887 0.457 25776 9863 1 13 . 1 1 100 100 PRO C C 100 178.304 178.304 177.381 0.923 25776 9864 1 13 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.930 0.480 25776 9865 1 13 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.297 0.810 25776 9866 1 13 . 1 1 101 101 MET N N 101 114.703 114.703 116.252 -1.549 25776 9867 1 13 . 1 1 101 101 MET C C 101 178.218 178.218 176.929 1.289 25776 9868 1 13 . 1 1 101 101 MET CA C 101 54.147 54.147 55.669 -1.522 25776 9869 1 13 . 1 1 101 101 MET CB C 101 30.956 30.956 34.044 -3.088 25776 9870 1 13 . 1 1 101 101 MET H H 101 9.432 9.432 7.939 1.493 25776 9871 1 13 . 1 1 102 102 GLY N N 102 117.671 117.671 107.231 10.440 25776 9872 1 13 . 1 1 102 102 GLY C C 102 175.611 175.611 174.417 1.194 25776 9873 1 13 . 1 1 102 102 GLY CA C 102 47.452 47.452 46.095 1.357 25776 9874 1 13 . 1 1 102 102 GLY H H 102 8.671 8.671 7.994 0.677 25776 9875 1 13 . 1 1 103 103 GLY N N 103 111.298 111.298 110.916 0.382 25776 9876 1 13 . 1 1 103 103 GLY C C 103 174.054 174.054 174.837 -0.783 25776 9877 1 13 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.737 2.083 25776 9878 1 13 . 1 1 103 103 GLY H H 103 9.436 9.436 8.734 0.702 25776 9879 1 13 . 1 1 104 104 THR N N 104 109.330 109.330 113.538 -4.208 25776 9880 1 13 . 1 1 104 104 THR C C 104 174.248 174.248 174.832 -0.584 25776 9881 1 13 . 1 1 104 104 THR CA C 104 61.454 61.454 61.014 0.440 25776 9882 1 13 . 1 1 104 104 THR CB C 104 72.711 72.711 70.222 2.489 25776 9883 1 13 . 1 1 104 104 THR H H 104 7.321 7.321 7.753 -0.432 25776 9884 1 13 . 1 1 105 105 ASN C C 105 175.032 175.032 174.988 0.044 25776 9885 1 13 . 1 1 105 105 ASN CA C 105 53.413 53.413 52.992 0.421 25776 9886 1 13 . 1 1 105 105 ASN CB C 105 38.843 38.843 37.858 0.985 25776 9887 1 13 . 1 1 106 106 SER N N 106 113.116 113.116 115.862 -2.746 25776 9888 1 13 . 1 1 106 106 SER C C 106 175.961 175.961 174.796 1.165 25776 9889 1 13 . 1 1 106 106 SER CA C 106 59.289 59.289 57.931 1.358 25776 9890 1 13 . 1 1 106 106 SER CB C 106 65.208 65.208 63.968 1.240 25776 9891 1 13 . 1 1 106 106 SER H H 106 7.487 7.487 7.479 0.008 25776 9892 1 13 . 1 1 107 107 ALA N N 107 132.317 132.317 123.712 8.605 25776 9893 1 13 . 1 1 107 107 ALA C C 107 176.554 176.554 176.620 -0.066 25776 9894 1 13 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.703 2.296 25776 9895 1 13 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.223 0.307 25776 9896 1 13 . 1 1 107 107 ALA H H 107 8.891 8.891 8.178 0.713 25776 9897 1 13 . 1 1 108 108 PHE N N 108 116.265 116.265 116.961 -0.696 25776 9898 1 13 . 1 1 108 108 PHE C C 108 174.254 174.254 175.233 -0.979 25776 9899 1 13 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.493 0.171 25776 9900 1 13 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.434 1.801 25776 9901 1 13 . 1 1 108 108 PHE H H 108 7.592 7.592 7.782 -0.190 25776 9902 1 13 . 1 1 109 109 GLN N N 109 128.401 128.401 122.681 5.720 25776 9903 1 13 . 1 1 109 109 GLN C C 109 172.298 172.298 174.276 -1.978 25776 9904 1 13 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.795 0.142 25776 9905 1 13 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.555 -0.575 25776 9906 1 13 . 1 1 109 109 GLN H H 109 9.095 9.095 8.657 0.438 25776 9907 1 13 . 1 1 110 110 PRO C C 110 175.005 175.005 175.513 -0.508 25776 9908 1 13 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.157 0.067 25776 9909 1 13 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.995 1.134 25776 9910 1 13 . 1 1 111 111 TYR N N 111 115.731 115.731 116.139 -0.408 25776 9911 1 13 . 1 1 111 111 TYR C C 111 173.783 173.783 173.508 0.275 25776 9912 1 13 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.811 0.261 25776 9913 1 13 . 1 1 111 111 TYR CB C 111 39.435 39.435 39.703 -0.267 25776 9914 1 13 . 1 1 111 111 TYR H H 111 8.510 8.510 8.267 0.243 25776 9915 1 13 . 1 1 112 112 GLY N N 112 103.737 103.737 107.243 -3.506 25776 9916 1 13 . 1 1 112 112 GLY C C 112 172.014 172.014 173.093 -1.079 25776 9917 1 13 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.421 1.223 25776 9918 1 13 . 1 1 112 112 GLY H H 112 8.149 8.149 8.556 -0.407 25776 9919 1 13 . 1 1 113 113 GLY N N 113 108.372 108.372 106.563 1.809 25776 9920 1 13 . 1 1 113 113 GLY C C 113 171.486 171.486 172.249 -0.763 25776 9921 1 13 . 1 1 113 113 GLY CA C 113 46.840 46.840 44.039 2.801 25776 9922 1 13 . 1 1 113 113 GLY H H 113 9.028 9.028 8.615 0.413 25776 9923 1 13 . 1 1 114 114 LEU N N 114 120.469 120.469 120.956 -0.487 25776 9924 1 13 . 1 1 114 114 LEU C C 114 175.878 175.878 174.842 1.036 25776 9925 1 13 . 1 1 114 114 LEU CA C 114 54.611 54.611 54.957 -0.346 25776 9926 1 13 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.711 3.267 25776 9927 1 13 . 1 1 114 114 LEU H H 114 8.741 8.741 8.035 0.706 25776 9928 1 13 . 1 1 115 115 GLY N N 115 111.145 111.145 111.190 -0.045 25776 9929 1 13 . 1 1 115 115 GLY C C 115 171.336 171.336 172.037 -0.701 25776 9930 1 13 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.750 2.105 25776 9931 1 13 . 1 1 115 115 GLY H H 115 8.952 8.952 9.171 -0.219 25776 9932 1 13 . 1 1 116 116 VAL N N 116 118.641 118.641 114.951 3.690 25776 9933 1 13 . 1 1 116 116 VAL C C 116 172.617 172.617 173.738 -1.121 25776 9934 1 13 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.181 1.535 25776 9935 1 13 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.677 2.695 25776 9936 1 13 . 1 1 116 116 VAL H H 116 8.844 8.844 7.976 0.868 25776 9937 1 13 . 1 1 117 117 ASN N N 117 123.839 123.839 120.325 3.514 25776 9938 1 13 . 1 1 117 117 ASN C C 117 171.105 171.105 173.486 -2.381 25776 9939 1 13 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.717 0.225 25776 9940 1 13 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.222 2.356 25776 9941 1 13 . 1 1 117 117 ASN H H 117 9.647 9.647 8.996 0.651 25776 9942 1 13 . 1 1 118 118 TYR N N 118 125.160 125.160 122.096 3.064 25776 9943 1 13 . 1 1 118 118 TYR C C 118 174.349 174.349 173.628 0.721 25776 9944 1 13 . 1 1 118 118 TYR CA C 118 56.557 56.557 54.903 1.654 25776 9945 1 13 . 1 1 118 118 TYR CB C 118 42.564 42.564 39.593 2.971 25776 9946 1 13 . 1 1 118 118 TYR H H 118 8.989 8.989 7.941 1.048 25776 9947 1 13 . 1 1 119 119 THR N N 119 124.319 124.319 118.144 6.175 25776 9948 1 13 . 1 1 119 119 THR C C 119 171.231 171.231 174.812 -3.581 25776 9949 1 13 . 1 1 119 119 THR CA C 119 62.951 62.951 60.647 2.304 25776 9950 1 13 . 1 1 119 119 THR CB C 119 72.427 72.427 69.604 2.823 25776 9951 1 13 . 1 1 119 119 THR H H 119 8.806 8.806 8.270 0.536 25776 9952 1 13 . 1 1 120 120 THR N N 120 119.978 119.978 126.437 -6.459 25776 9953 1 13 . 1 1 120 120 THR C C 120 171.174 171.174 173.275 -2.101 25776 9954 1 13 . 1 1 120 120 THR CA C 120 59.197 59.197 62.342 -3.144 25776 9955 1 13 . 1 1 120 120 THR CB C 120 72.088 72.088 68.418 3.669 25776 9956 1 13 . 1 1 120 120 THR H H 120 7.559 7.559 8.632 -1.073 25776 9957 1 13 . 1 1 121 121 PHE C C 121 175.289 175.289 174.694 0.595 25776 9958 1 13 . 1 1 121 121 PHE CB C 121 44.369 44.369 42.151 2.218 25776 9959 1 13 . 1 1 122 122 PHE N N 122 117.578 117.578 120.070 -2.492 25776 9960 1 13 . 1 1 122 122 PHE C C 122 172.555 172.555 175.771 -3.216 25776 9961 1 13 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.148 -0.264 25776 9962 1 13 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.998 0.233 25776 9963 1 13 . 1 1 122 122 PHE H H 122 8.541 8.541 8.870 -0.329 25776 9964 1 13 . 1 1 123 123 ASP N N 123 116.448 116.448 120.966 -4.518 25776 9965 1 13 . 1 1 123 123 ASP C C 123 175.240 175.240 175.915 -0.675 25776 9966 1 13 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.743 2.091 25776 9967 1 13 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.101 -2.257 25776 9968 1 13 . 1 1 123 123 ASP H H 123 8.940 8.940 8.294 0.646 25776 9969 1 13 . 1 1 124 124 GLU C C 124 177.545 177.545 176.372 1.173 25776 9970 1 13 . 1 1 124 124 GLU CA C 124 59.890 59.890 57.781 2.109 25776 9971 1 13 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.091 -0.633 25776 9972 1 13 . 1 1 125 125 ASP N N 125 126.424 126.424 120.169 6.255 25776 9973 1 13 . 1 1 125 125 ASP C C 125 176.191 176.191 175.145 1.046 25776 9974 1 13 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.156 -0.144 25776 9975 1 13 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.479 2.070 25776 9976 1 13 . 1 1 125 125 ASP H H 125 9.100 9.100 8.488 0.612 25776 9977 1 13 . 1 1 126 126 LEU N N 126 127.990 127.990 121.007 6.983 25776 9978 1 13 . 1 1 126 126 LEU C C 126 175.808 175.808 176.044 -0.236 25776 9979 1 13 . 1 1 126 126 LEU CA C 126 56.268 56.268 53.892 2.376 25776 9980 1 13 . 1 1 126 126 LEU CB C 126 44.856 44.856 44.735 0.121 25776 9981 1 13 . 1 1 126 126 LEU H H 126 8.570 8.570 7.457 1.113 25776 9982 1 13 . 1 1 127 127 ALA N N 127 124.126 124.126 125.775 -1.649 25776 9983 1 13 . 1 1 127 127 ALA C C 127 179.833 179.833 177.212 2.621 25776 9984 1 13 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.253 0.468 25776 9985 1 13 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.385 0.674 25776 9986 1 13 . 1 1 127 127 ALA H H 127 7.885 7.885 8.552 -0.667 25776 9987 1 13 . 1 1 129 129 ASN C C 129 176.927 176.927 175.836 1.091 25776 9988 1 13 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.830 -1.357 25776 9989 1 13 . 1 1 130 130 ARG N N 130 117.748 117.748 125.239 -7.491 25776 9990 1 13 . 1 1 130 130 ARG C C 130 179.430 179.430 178.229 1.201 25776 9991 1 13 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.627 -2.784 25776 9992 1 13 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.263 0.063 25776 9993 1 13 . 1 1 130 130 ARG H H 130 7.435 7.435 8.734 -1.299 25776 9994 1 13 . 1 1 131 131 LYS N N 131 122.261 122.261 120.130 2.131 25776 9995 1 13 . 1 1 131 131 LYS C C 131 180.937 180.937 178.919 2.018 25776 9996 1 13 . 1 1 131 131 LYS CA C 131 60.461 60.461 59.020 1.441 25776 9997 1 13 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.705 1.206 25776 9998 1 13 . 1 1 131 131 LYS H H 131 7.945 7.945 8.482 -0.537 25776 9999 1 13 . 1 1 132 132 ALA N N 132 122.083 122.083 120.797 1.286 25776 10000 1 13 . 1 1 132 132 ALA C C 132 178.748 178.748 179.062 -0.314 25776 10001 1 13 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.285 1.084 25776 10002 1 13 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.985 1.144 25776 10003 1 13 . 1 1 132 132 ALA H H 132 7.770 7.770 8.081 -0.311 25776 10004 1 13 . 1 1 133 133 GLN N N 133 116.102 116.102 117.758 -1.656 25776 10005 1 13 . 1 1 133 133 GLN C C 133 175.525 175.525 177.050 -1.525 25776 10006 1 13 . 1 1 133 133 GLN CA C 133 57.098 57.098 57.094 0.004 25776 10007 1 13 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.326 1.029 25776 10008 1 13 . 1 1 133 133 GLN H H 133 7.302 7.302 7.536 -0.234 25776 10009 1 13 . 1 1 134 134 GLY N N 134 104.444 104.444 106.633 -2.189 25776 10010 1 13 . 1 1 134 134 GLY C C 134 174.460 174.460 174.085 0.375 25776 10011 1 13 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.623 1.259 25776 10012 1 13 . 1 1 134 134 GLY H H 134 7.596 7.596 7.715 -0.119 25776 10013 1 13 . 1 1 135 135 PHE N N 135 119.775 119.775 120.272 -0.497 25776 10014 1 13 . 1 1 135 135 PHE C C 135 174.922 174.922 175.503 -0.581 25776 10015 1 13 . 1 1 135 135 PHE CA C 135 58.894 58.894 58.825 0.069 25776 10016 1 13 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.414 0.877 25776 10017 1 13 . 1 1 135 135 PHE H H 135 7.737 7.737 8.432 -0.695 25776 10018 1 13 . 1 1 136 136 SER N N 136 115.673 115.673 120.647 -4.974 25776 10019 1 13 . 1 1 136 136 SER C C 136 174.415 174.415 173.707 0.708 25776 10020 1 13 . 1 1 136 136 SER CA C 136 59.679 59.679 58.410 1.268 25776 10021 1 13 . 1 1 136 136 SER CB C 136 66.246 66.246 64.539 1.707 25776 10022 1 13 . 1 1 136 136 SER H H 136 8.862 8.862 8.829 0.033 25776 10023 1 13 . 1 1 137 137 SER N N 137 114.341 114.341 117.316 -2.975 25776 10024 1 13 . 1 1 137 137 SER C C 137 172.164 172.164 174.037 -1.873 25776 10025 1 13 . 1 1 137 137 SER CA C 137 58.955 58.955 57.334 1.621 25776 10026 1 13 . 1 1 137 137 SER CB C 137 65.592 65.592 64.411 1.181 25776 10027 1 13 . 1 1 137 137 SER H H 137 7.912 7.912 7.680 0.232 25776 10028 1 13 . 1 1 138 138 MET N N 138 120.555 120.555 119.058 1.497 25776 10029 1 13 . 1 1 138 138 MET C C 138 173.189 173.189 174.608 -1.419 25776 10030 1 13 . 1 1 138 138 MET CA C 138 55.879 55.879 56.280 -0.401 25776 10031 1 13 . 1 1 138 138 MET CB C 138 36.962 36.962 33.305 3.657 25776 10032 1 13 . 1 1 138 138 MET H H 138 8.461 8.461 8.294 0.167 25776 10033 1 13 . 1 1 141 141 GLN C C 141 176.182 176.182 174.852 1.330 25776 10034 1 13 . 1 1 141 141 GLN CB C 141 31.435 31.435 30.540 0.895 25776 10035 1 13 . 1 1 142 142 ASP N N 142 124.414 124.414 123.121 1.293 25776 10036 1 13 . 1 1 142 142 ASP C C 142 175.702 175.702 175.143 0.559 25776 10037 1 13 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.831 1.476 25776 10038 1 13 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.548 0.190 25776 10039 1 13 . 1 1 142 142 ASP H H 142 8.728 8.728 8.998 -0.270 25776 10040 1 13 . 1 1 143 143 SER N N 143 114.920 114.920 111.280 3.640 25776 10041 1 13 . 1 1 143 143 SER C C 143 172.289 172.289 172.699 -0.410 25776 10042 1 13 . 1 1 143 143 SER CA C 143 57.652 57.652 57.992 -0.340 25776 10043 1 13 . 1 1 143 143 SER CB C 143 66.215 66.215 65.156 1.059 25776 10044 1 13 . 1 1 143 143 SER H H 143 8.703 8.703 7.785 0.918 25776 10045 1 13 . 1 1 144 144 TRP N N 144 126.444 126.444 125.546 0.898 25776 10046 1 13 . 1 1 144 144 TRP C C 144 177.307 177.307 174.358 2.949 25776 10047 1 13 . 1 1 144 144 TRP CA C 144 56.875 56.875 57.435 -0.560 25776 10048 1 13 . 1 1 144 144 TRP CB C 144 33.364 33.364 32.988 0.376 25776 10049 1 13 . 1 1 144 144 TRP H H 144 8.101 8.101 8.665 -0.564 25776 10050 1 13 . 1 1 145 145 GLY N N 145 108.757 108.757 109.843 -1.086 25776 10051 1 13 . 1 1 145 145 GLY C C 145 171.985 171.985 172.329 -0.344 25776 10052 1 13 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.839 2.709 25776 10053 1 13 . 1 1 145 145 GLY H H 145 8.889 8.889 8.279 0.610 25776 10054 1 13 . 1 1 146 146 LEU N N 146 121.579 121.579 120.912 0.667 25776 10055 1 13 . 1 1 146 146 LEU C C 146 174.909 174.909 175.922 -1.013 25776 10056 1 13 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.906 1.269 25776 10057 1 13 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.051 2.112 25776 10058 1 13 . 1 1 146 146 LEU H H 146 9.035 9.035 8.729 0.306 25776 10059 1 13 . 1 1 147 147 ALA N N 147 121.342 121.342 124.322 -2.980 25776 10060 1 13 . 1 1 147 147 ALA C C 147 175.588 175.588 175.955 -0.367 25776 10061 1 13 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.527 0.407 25776 10062 1 13 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.866 2.240 25776 10063 1 13 . 1 1 147 147 ALA H H 147 8.123 8.123 9.184 -1.061 25776 10064 1 13 . 1 1 148 148 GLY N N 148 106.598 106.598 109.762 -3.164 25776 10065 1 13 . 1 1 148 148 GLY C C 148 171.829 171.829 171.897 -0.068 25776 10066 1 13 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.366 0.382 25776 10067 1 13 . 1 1 148 148 GLY H H 148 9.216 9.216 8.263 0.953 25776 10068 1 13 . 1 1 149 149 GLU N N 149 122.775 122.775 120.392 2.383 25776 10069 1 13 . 1 1 149 149 GLU C C 149 174.078 174.078 174.470 -0.392 25776 10070 1 13 . 1 1 149 149 GLU CA C 149 55.802 55.802 53.465 2.337 25776 10071 1 13 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.010 5.405 25776 10072 1 13 . 1 1 149 149 GLU H H 149 8.493 8.493 8.133 0.360 25776 10073 1 13 . 1 1 150 150 LEU N N 150 126.310 126.310 121.011 5.299 25776 10074 1 13 . 1 1 150 150 LEU C C 150 174.309 174.309 175.795 -1.486 25776 10075 1 13 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.566 0.376 25776 10076 1 13 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.024 3.467 25776 10077 1 13 . 1 1 150 150 LEU H H 150 8.580 8.580 8.037 0.543 25776 10078 1 13 . 1 1 151 151 GLY N N 151 109.909 109.909 111.492 -1.583 25776 10079 1 13 . 1 1 151 151 GLY C C 151 170.538 170.538 171.578 -1.040 25776 10080 1 13 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.913 0.707 25776 10081 1 13 . 1 1 151 151 GLY H H 151 8.115 8.115 8.060 0.055 25776 10082 1 13 . 1 1 152 152 PHE N N 152 111.012 111.012 114.765 -3.753 25776 10083 1 13 . 1 1 152 152 PHE C C 152 171.455 171.455 173.214 -1.759 25776 10084 1 13 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.637 2.075 25776 10085 1 13 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.691 0.804 25776 10086 1 13 . 1 1 152 152 PHE H H 152 8.365 8.365 8.604 -0.239 25776 10087 1 13 . 1 1 153 153 ASP N N 153 119.057 119.057 123.488 -4.431 25776 10088 1 13 . 1 1 153 153 ASP C C 153 176.522 176.522 175.319 1.203 25776 10089 1 13 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.952 -0.485 25776 10090 1 13 . 1 1 153 153 ASP CB C 153 45.097 45.097 42.148 2.949 25776 10091 1 13 . 1 1 153 153 ASP H H 153 8.014 8.014 9.139 -1.125 25776 10092 1 13 . 1 1 154 154 TYR N N 154 123.640 123.640 127.476 -3.836 25776 10093 1 13 . 1 1 154 154 TYR C C 154 175.593 175.593 174.356 1.237 25776 10094 1 13 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.052 0.836 25776 10095 1 13 . 1 1 154 154 TYR CB C 154 42.822 42.822 39.067 3.755 25776 10096 1 13 . 1 1 154 154 TYR H H 154 9.744 9.744 8.693 1.052 25776 10097 1 13 . 1 1 155 155 MET N N 155 126.409 126.409 121.333 5.076 25776 10098 1 13 . 1 1 155 155 MET C C 155 174.938 174.938 175.429 -0.491 25776 10099 1 13 . 1 1 155 155 MET CA C 155 55.410 55.410 55.513 -0.103 25776 10100 1 13 . 1 1 155 155 MET CB C 155 29.170 29.170 33.297 -4.127 25776 10101 1 13 . 1 1 155 155 MET H H 155 8.659 8.659 8.163 0.496 25776 10102 1 13 . 1 1 156 156 LEU N N 156 125.396 125.396 124.023 1.373 25776 10103 1 13 . 1 1 156 156 LEU C C 156 177.567 177.567 177.945 -0.378 25776 10104 1 13 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.550 1.023 25776 10105 1 13 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.330 1.582 25776 10106 1 13 . 1 1 156 156 LEU H H 156 9.232 9.232 8.797 0.435 25776 10107 1 13 . 1 1 157 157 ASN N N 157 114.903 114.903 114.523 0.380 25776 10108 1 13 . 1 1 157 157 ASN C C 157 173.568 173.568 175.776 -2.208 25776 10109 1 13 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.927 -1.735 25776 10110 1 13 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.878 1.033 25776 10111 1 13 . 1 1 157 157 ASN H H 157 8.099 8.099 8.148 -0.049 25776 10112 1 13 . 1 1 158 158 GLU N N 158 114.724 114.724 118.397 -3.673 25776 10113 1 13 . 1 1 158 158 GLU C C 158 176.032 176.032 176.878 -0.846 25776 10114 1 13 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.766 2.912 25776 10115 1 13 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.361 0.154 25776 10116 1 13 . 1 1 158 158 GLU H H 158 8.625 8.625 8.713 -0.088 25776 10117 1 13 . 1 1 159 159 HIS N N 159 111.022 111.022 114.818 -3.796 25776 10118 1 13 . 1 1 159 159 HIS C C 159 173.158 173.158 173.889 -0.731 25776 10119 1 13 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.156 1.280 25776 10120 1 13 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.255 2.137 25776 10121 1 13 . 1 1 159 159 HIS H H 159 8.201 8.201 8.011 0.190 25776 10122 1 13 . 1 1 160 160 ALA N N 160 122.967 122.967 121.099 1.868 25776 10123 1 13 . 1 1 160 160 ALA C C 160 176.212 176.212 174.679 1.533 25776 10124 1 13 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.616 0.706 25776 10125 1 13 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.562 0.864 25776 10126 1 13 . 1 1 160 160 ALA H H 160 8.389 8.389 7.571 0.818 25776 10127 1 13 . 1 1 161 161 LEU N N 161 116.648 116.648 117.729 -1.081 25776 10128 1 13 . 1 1 161 161 LEU C C 161 174.922 174.922 175.039 -0.117 25776 10129 1 13 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.605 1.280 25776 10130 1 13 . 1 1 161 161 LEU CB C 161 46.495 46.495 45.789 0.706 25776 10131 1 13 . 1 1 161 161 LEU H H 161 8.616 8.616 8.439 0.177 25776 10132 1 13 . 1 1 162 162 PHE N N 162 121.938 121.938 122.750 -0.812 25776 10133 1 13 . 1 1 162 162 PHE C C 162 171.989 171.989 174.542 -2.553 25776 10134 1 13 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.111 -0.093 25776 10135 1 13 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.269 1.820 25776 10136 1 13 . 1 1 162 162 PHE H H 162 9.221 9.221 8.815 0.406 25776 10137 1 13 . 1 1 163 163 ASN N N 163 127.932 127.932 124.553 3.379 25776 10138 1 13 . 1 1 163 163 ASN C C 163 171.357 171.357 174.358 -3.001 25776 10139 1 13 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.648 0.301 25776 10140 1 13 . 1 1 163 163 ASN CB C 163 47.040 47.040 40.601 6.439 25776 10141 1 13 . 1 1 163 163 ASN H H 163 7.735 7.735 9.012 -1.277 25776 10142 1 13 . 1 1 164 164 MET N N 164 120.121 120.121 123.423 -3.302 25776 10143 1 13 . 1 1 164 164 MET C C 164 172.837 172.837 174.018 -1.181 25776 10144 1 13 . 1 1 164 164 MET CA C 164 55.914 55.914 54.570 1.344 25776 10145 1 13 . 1 1 164 164 MET CB C 164 38.643 38.643 36.635 2.008 25776 10146 1 13 . 1 1 164 164 MET H H 164 7.092 7.092 8.084 -0.992 25776 10147 1 13 . 1 1 165 165 ALA N N 165 120.745 120.745 125.398 -4.653 25776 10148 1 13 . 1 1 165 165 ALA C C 165 174.047 174.047 174.668 -0.621 25776 10149 1 13 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.757 0.657 25776 10150 1 13 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.633 0.510 25776 10151 1 13 . 1 1 165 165 ALA H H 165 8.370 8.370 8.426 -0.056 25776 10152 1 13 . 1 1 166 166 VAL N N 166 118.385 118.385 119.747 -1.362 25776 10153 1 13 . 1 1 166 166 VAL C C 166 172.556 172.556 175.162 -2.606 25776 10154 1 13 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.643 -2.015 25776 10155 1 13 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.682 3.445 25776 10156 1 13 . 1 1 166 166 VAL H H 166 8.723 8.723 8.187 0.536 25776 10157 1 13 . 1 1 167 167 TRP N N 167 123.258 123.258 128.835 -5.577 25776 10158 1 13 . 1 1 167 167 TRP C C 167 174.016 174.016 175.848 -1.832 25776 10159 1 13 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.773 0.831 25776 10160 1 13 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.436 3.224 25776 10161 1 13 . 1 1 167 167 TRP H H 167 9.312 9.312 8.728 0.584 25776 10162 1 13 . 1 1 168 168 TYR N N 168 121.455 121.455 127.094 -5.639 25776 10163 1 13 . 1 1 168 168 TYR C C 168 175.110 175.110 173.571 1.539 25776 10164 1 13 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.739 -0.553 25776 10165 1 13 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.931 1.509 25776 10166 1 13 . 1 1 168 168 TYR H H 168 8.398 8.398 8.357 0.041 25776 10167 1 13 . 1 1 169 169 MET N N 169 124.800 124.800 126.109 -1.309 25776 10168 1 13 . 1 1 169 169 MET C C 169 172.688 172.688 174.076 -1.388 25776 10169 1 13 . 1 1 169 169 MET CA C 169 55.640 55.640 54.493 1.147 25776 10170 1 13 . 1 1 169 169 MET CB C 169 34.143 34.143 35.288 -1.145 25776 10171 1 13 . 1 1 169 169 MET H H 169 8.131 8.131 8.160 -0.029 25776 10172 1 13 . 1 1 170 170 ASP N N 170 122.780 122.780 126.548 -3.768 25776 10173 1 13 . 1 1 170 170 ASP C C 170 174.864 174.864 175.260 -0.396 25776 10174 1 13 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.705 1.178 25776 10175 1 13 . 1 1 170 170 ASP CB C 170 41.678 41.678 43.299 -1.621 25776 10176 1 13 . 1 1 170 170 ASP H H 170 8.191 8.191 8.371 -0.180 25776 10177 1 13 . 1 1 171 171 ILE N N 171 127.252 127.252 122.147 5.105 25776 10178 1 13 . 1 1 171 171 ILE C C 171 174.476 174.476 174.684 -0.208 25776 10179 1 13 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.454 -0.511 25776 10180 1 13 . 1 1 171 171 ILE CB C 171 40.521 40.521 37.556 2.965 25776 10181 1 13 . 1 1 171 171 ILE H H 171 7.805 7.805 8.345 -0.540 25776 10182 1 13 . 1 1 172 172 ASP N N 172 129.369 129.369 125.486 3.883 25776 10183 1 13 . 1 1 172 172 ASP C C 172 174.520 174.520 175.160 -0.640 25776 10184 1 13 . 1 1 172 172 ASP CA C 172 53.801 53.801 52.762 1.039 25776 10185 1 13 . 1 1 172 172 ASP CB C 172 43.089 43.089 43.891 -0.802 25776 10186 1 13 . 1 1 172 172 ASP H H 172 8.541 8.541 8.138 0.403 25776 10187 1 13 . 1 1 173 173 THR N N 173 118.920 118.920 116.011 2.909 25776 10188 1 13 . 1 1 173 173 THR C C 173 172.170 172.170 174.823 -2.653 25776 10189 1 13 . 1 1 173 173 THR CA C 173 60.936 60.936 61.584 -0.648 25776 10190 1 13 . 1 1 173 173 THR CB C 173 70.002 70.002 70.300 -0.298 25776 10191 1 13 . 1 1 173 173 THR H H 173 8.814 8.814 8.228 0.586 25776 10192 1 13 . 1 1 176 176 SER C C 176 174.672 174.672 174.382 0.290 25776 10193 1 13 . 1 1 176 176 SER CA C 176 58.834 58.834 59.419 -0.585 25776 10194 1 13 . 1 1 176 176 SER CB C 176 64.984 64.984 63.278 1.706 25776 10195 1 13 . 1 1 177 177 ILE N N 177 121.645 121.645 120.765 0.880 25776 10196 1 13 . 1 1 177 177 ILE C C 177 174.945 174.945 175.146 -0.201 25776 10197 1 13 . 1 1 177 177 ILE CA C 177 62.346 62.346 59.466 2.880 25776 10198 1 13 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.183 0.956 25776 10199 1 13 . 1 1 177 177 ILE H H 177 7.993 7.993 7.706 0.287 25776 10200 1 13 . 1 1 178 178 ASN N N 178 127.223 127.223 124.385 2.838 25776 10201 1 13 . 1 1 178 178 ASN C C 178 179.120 179.120 175.792 3.328 25776 10202 1 13 . 1 1 178 178 ASN CA C 178 55.663 55.663 54.513 1.150 25776 10203 1 13 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.050 2.869 25776 10204 1 13 . 1 1 178 178 ASN H H 178 7.882 7.882 8.626 -0.744 25776 10205 1 13 . 1 1 182 182 ALA N N 182 124.095 124.095 123.877 0.218 25776 10206 1 13 . 1 1 182 182 ALA C C 182 177.680 177.680 175.763 1.917 25776 10207 1 13 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.778 2.438 25776 10208 1 13 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.962 -0.193 25776 10209 1 13 . 1 1 182 182 ALA H H 182 8.100 8.100 7.742 0.358 25776 10210 1 13 . 1 1 183 183 LEU N N 183 118.394 118.394 122.021 -3.627 25776 10211 1 13 . 1 1 183 183 LEU C C 183 177.352 177.352 176.136 1.216 25776 10212 1 13 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.784 0.043 25776 10213 1 13 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.323 -0.139 25776 10214 1 13 . 1 1 183 183 LEU H H 183 7.854 7.854 8.428 -0.574 25776 10215 1 13 . 1 1 184 184 GLY N N 184 107.897 107.897 113.563 -5.666 25776 10216 1 13 . 1 1 184 184 GLY C C 184 174.288 174.288 173.676 0.612 25776 10217 1 13 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.374 1.302 25776 10218 1 13 . 1 1 184 184 GLY H H 184 7.883 7.883 8.564 -0.681 25776 10219 1 13 . 1 1 185 185 VAL N N 185 118.254 118.254 120.075 -1.821 25776 10220 1 13 . 1 1 185 185 VAL C C 185 175.475 175.475 174.491 0.984 25776 10221 1 13 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.341 1.707 25776 10222 1 13 . 1 1 185 185 VAL CB C 185 33.471 33.471 30.508 2.963 25776 10223 1 13 . 1 1 185 185 VAL H H 185 7.676 7.676 8.058 -0.382 25776 10224 1 13 . 1 1 186 186 ASN N N 186 121.756 121.756 124.743 -2.987 25776 10225 1 13 . 1 1 186 186 ASN C C 186 174.724 174.724 174.370 0.354 25776 10226 1 13 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.595 0.998 25776 10227 1 13 . 1 1 186 186 ASN CB C 186 39.898 39.898 41.301 -1.403 25776 10228 1 13 . 1 1 186 186 ASN H H 186 8.331 8.331 8.305 0.026 25776 10229 1 13 . 1 1 187 187 LYS N N 187 120.959 120.959 119.188 1.771 25776 10230 1 13 . 1 1 187 187 LYS C C 187 174.652 174.652 175.340 -0.688 25776 10231 1 13 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.688 0.510 25776 10232 1 13 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.876 0.167 25776 10233 1 13 . 1 1 187 187 LYS H H 187 8.031 8.031 8.229 -0.198 25776 10234 1 13 . 1 1 189 189 LYS C C 189 176.088 176.088 176.055 0.033 25776 10235 1 13 . 1 1 189 189 LYS CA C 189 57.442 57.442 57.798 -0.356 25776 10236 1 13 . 1 1 190 190 VAL N N 190 121.122 121.122 115.990 5.132 25776 10237 1 13 . 1 1 190 190 VAL C C 190 175.545 175.545 176.015 -0.470 25776 10238 1 13 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.648 0.473 25776 10239 1 13 . 1 1 190 190 VAL CB C 190 33.948 33.948 33.921 0.027 25776 10240 1 13 . 1 1 190 190 VAL H H 190 8.067 8.067 7.926 0.141 25776 10241 1 13 . 1 1 191 191 ASP N N 191 124.022 124.022 118.312 5.710 25776 10242 1 13 . 1 1 191 191 ASP C C 191 175.710 175.710 175.807 -0.097 25776 10243 1 13 . 1 1 191 191 ASP CA C 191 55.269 55.269 55.123 0.146 25776 10244 1 13 . 1 1 191 191 ASP CB C 191 41.978 41.978 42.193 -0.214 25776 10245 1 13 . 1 1 191 191 ASP H H 191 8.282 8.282 8.203 0.079 25776 10246 1 13 . 1 1 192 192 VAL N N 192 118.928 118.928 119.590 -0.662 25776 10247 1 13 . 1 1 192 192 VAL C C 192 175.433 175.433 174.490 0.943 25776 10248 1 13 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.740 1.079 25776 10249 1 13 . 1 1 192 192 VAL CB C 192 34.105 34.105 33.019 1.087 25776 10250 1 13 . 1 1 192 192 VAL H H 192 7.877 7.877 7.790 0.087 25776 10251 1 13 . 1 1 193 193 ASP N N 193 124.364 124.364 126.942 -2.578 25776 10252 1 13 . 1 1 193 193 ASP C C 193 176.118 176.118 175.312 0.806 25776 10253 1 13 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.109 1.102 25776 10254 1 13 . 1 1 193 193 ASP CB C 193 42.033 42.033 39.801 2.232 25776 10255 1 13 . 1 1 193 193 ASP H H 193 8.335 8.335 8.537 -0.202 25776 10256 1 13 . 1 1 198 198 VAL N N 198 126.400 126.400 119.130 7.270 25776 10257 1 13 . 1 1 198 198 VAL C C 198 174.600 174.600 174.632 -0.032 25776 10258 1 13 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.258 -1.818 25776 10259 1 13 . 1 1 198 198 VAL CB C 198 35.100 35.100 32.325 2.775 25776 10260 1 13 . 1 1 198 198 VAL H H 198 8.474 8.474 8.026 0.448 25776 10261 1 13 . 1 1 199 199 TYR N N 199 123.900 123.900 123.385 0.515 25776 10262 1 13 . 1 1 199 199 TYR C C 199 173.600 173.600 174.874 -1.274 25776 10263 1 13 . 1 1 199 199 TYR CA C 199 55.510 55.510 56.767 -1.257 25776 10264 1 13 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.047 -0.417 25776 10265 1 13 . 1 1 199 199 TYR H H 199 8.748 8.748 8.157 0.591 25776 10266 1 13 . 1 1 200 200 MET N N 200 123.700 123.700 123.468 0.232 25776 10267 1 13 . 1 1 200 200 MET CA C 200 49.420 49.420 53.689 -4.269 25776 10268 1 13 . 1 1 200 200 MET H H 200 9.057 9.057 8.942 0.115 25776 10269 1 13 . 1 1 201 201 ILE C C 201 174.016 174.016 174.598 -0.582 25776 10270 1 13 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.963 0.511 25776 10271 1 13 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.216 2.219 25776 10272 1 13 . 1 1 202 202 GLY N N 202 113.215 113.215 112.894 0.321 25776 10273 1 13 . 1 1 202 202 GLY C C 202 170.124 170.124 172.000 -1.876 25776 10274 1 13 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.526 4.034 25776 10275 1 13 . 1 1 202 202 GLY H H 202 8.646 8.646 8.515 0.131 25776 10276 1 13 . 1 1 203 203 PHE N N 203 116.782 116.782 117.326 -0.544 25776 10277 1 13 . 1 1 203 203 PHE C C 203 174.063 174.063 174.182 -0.119 25776 10278 1 13 . 1 1 203 203 PHE CA C 203 56.451 56.451 54.437 2.014 25776 10279 1 13 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.385 4.314 25776 10280 1 13 . 1 1 203 203 PHE H H 203 8.482 8.482 8.274 0.208 25776 10281 1 13 . 1 1 204 204 GLY N N 204 105.936 105.936 109.327 -3.391 25776 10282 1 13 . 1 1 204 204 GLY C C 204 171.097 171.097 171.428 -0.331 25776 10283 1 13 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.782 2.692 25776 10284 1 13 . 1 1 204 204 GLY H H 204 9.003 9.003 8.067 0.936 25776 10285 1 13 . 1 1 205 205 TYR N N 205 121.196 121.196 119.889 1.307 25776 10286 1 13 . 1 1 205 205 TYR C C 205 172.994 172.994 173.165 -0.171 25776 10287 1 13 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.830 0.856 25776 10288 1 13 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.667 2.523 25776 10289 1 13 . 1 1 205 205 TYR H H 205 9.413 9.413 9.394 0.019 25776 10290 1 13 . 1 1 206 206 LYS N N 206 126.788 126.788 126.077 0.711 25776 10291 1 13 . 1 1 206 206 LYS C C 206 174.161 174.161 174.489 -0.328 25776 10292 1 13 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.824 -0.394 25776 10293 1 13 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.153 2.272 25776 10294 1 13 . 1 1 206 206 LYS H H 206 8.364 8.364 8.078 0.286 25776 10295 1 13 . 1 1 207 207 PHE N N 207 126.168 126.168 122.035 4.133 25776 10296 1 13 . 1 1 207 207 PHE C C 207 175.094 175.094 174.631 0.463 25776 10297 1 13 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.245 1.445 25776 10298 1 13 . 1 1 207 207 PHE CB C 207 41.663 41.663 42.681 -1.018 25776 10299 1 13 . 1 1 207 207 PHE H H 207 9.308 9.308 8.040 1.268 25776 10300 1 13 . 1 1 208 208 LEU N N 208 123.199 123.199 124.779 -1.580 25776 10301 1 13 . 1 1 208 208 LEU C C 208 176.580 176.580 176.476 0.104 25776 10302 1 13 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.661 0.810 25776 10303 1 13 . 1 1 208 208 LEU CB C 208 44.713 44.713 42.738 1.975 25776 10304 1 13 . 1 1 208 208 LEU H H 208 8.376 8.376 8.716 -0.340 25776 10305 1 13 . 1 1 209 209 GLU N N 209 121.960 121.960 122.804 -0.844 25776 10306 1 13 . 1 1 209 209 GLU C C 209 176.226 176.226 175.492 0.734 25776 10307 1 13 . 1 1 209 209 GLU CA C 209 57.732 57.732 57.022 0.710 25776 10308 1 13 . 1 1 209 209 GLU CB C 209 31.453 31.453 29.617 1.836 25776 10309 1 13 . 1 1 209 209 GLU H H 209 8.500 8.500 8.966 -0.466 25776 10310 1 14 . 1 1 2 2 HIS C C 2 175.393 175.393 175.036 0.357 25776 10311 1 14 . 1 1 2 2 HIS CA C 2 53.804 53.804 54.118 -0.314 25776 10312 1 14 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.003 -0.223 25776 10313 1 14 . 1 1 3 3 LYS N N 3 121.908 121.908 118.302 3.606 25776 10314 1 14 . 1 1 3 3 LYS C C 3 173.475 173.475 174.527 -1.052 25776 10315 1 14 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.157 -0.130 25776 10316 1 14 . 1 1 3 3 LYS CB C 3 35.200 35.200 34.305 0.895 25776 10317 1 14 . 1 1 3 3 LYS H H 3 8.608 8.608 8.538 0.070 25776 10318 1 14 . 1 1 4 4 ALA N N 4 120.771 120.771 122.595 -1.824 25776 10319 1 14 . 1 1 4 4 ALA C C 4 178.118 178.118 178.499 -0.381 25776 10320 1 14 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.376 1.063 25776 10321 1 14 . 1 1 4 4 ALA CB C 4 18.049 18.049 17.920 0.129 25776 10322 1 14 . 1 1 4 4 ALA H H 4 8.581 8.581 8.243 0.338 25776 10323 1 14 . 1 1 5 5 GLY N N 5 112.807 112.807 112.113 0.694 25776 10324 1 14 . 1 1 5 5 GLY C C 5 173.788 173.788 173.601 0.187 25776 10325 1 14 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.361 0.459 25776 10326 1 14 . 1 1 5 5 GLY H H 5 9.170 9.170 8.247 0.923 25776 10327 1 14 . 1 1 6 6 ASP N N 6 121.504 121.504 121.537 -0.033 25776 10328 1 14 . 1 1 6 6 ASP C C 6 174.307 174.307 174.674 -0.367 25776 10329 1 14 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.623 1.195 25776 10330 1 14 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.364 0.211 25776 10331 1 14 . 1 1 6 6 ASP H H 6 7.619 7.619 7.396 0.223 25776 10332 1 14 . 1 1 7 7 PHE N N 7 121.212 121.212 123.695 -2.483 25776 10333 1 14 . 1 1 7 7 PHE C C 7 174.030 174.030 175.125 -1.095 25776 10334 1 14 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.292 -0.691 25776 10335 1 14 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.847 2.229 25776 10336 1 14 . 1 1 7 7 PHE H H 7 8.285 8.285 8.326 -0.041 25776 10337 1 14 . 1 1 8 8 ILE N N 8 128.185 128.185 125.085 3.100 25776 10338 1 14 . 1 1 8 8 ILE C C 8 173.961 173.961 174.640 -0.679 25776 10339 1 14 . 1 1 8 8 ILE CA C 8 61.723 61.723 60.029 1.694 25776 10340 1 14 . 1 1 8 8 ILE CB C 8 43.669 43.669 40.790 2.879 25776 10341 1 14 . 1 1 8 8 ILE H H 8 9.245 9.245 8.267 0.978 25776 10342 1 14 . 1 1 9 9 ILE N N 9 125.624 125.624 125.023 0.601 25776 10343 1 14 . 1 1 9 9 ILE C C 9 173.731 173.731 175.429 -1.698 25776 10344 1 14 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.985 -0.695 25776 10345 1 14 . 1 1 9 9 ILE CB C 9 42.091 42.091 38.978 3.113 25776 10346 1 14 . 1 1 9 9 ILE H H 9 8.628 8.628 8.958 -0.330 25776 10347 1 14 . 1 1 10 10 ARG N N 10 125.025 125.025 127.570 -2.545 25776 10348 1 14 . 1 1 10 10 ARG C C 10 175.074 175.074 174.404 0.670 25776 10349 1 14 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.824 -0.330 25776 10350 1 14 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.188 -1.416 25776 10351 1 14 . 1 1 10 10 ARG H H 10 9.225 9.225 9.067 0.158 25776 10352 1 14 . 1 1 11 11 GLY N N 11 106.141 106.141 108.006 -1.865 25776 10353 1 14 . 1 1 11 11 GLY C C 11 171.959 171.959 172.088 -0.129 25776 10354 1 14 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.395 1.812 25776 10355 1 14 . 1 1 11 11 GLY H H 11 8.885 8.885 8.111 0.774 25776 10356 1 14 . 1 1 12 12 GLY N N 12 107.818 107.818 104.999 2.819 25776 10357 1 14 . 1 1 12 12 GLY C C 12 171.465 171.465 171.994 -0.529 25776 10358 1 14 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.443 1.870 25776 10359 1 14 . 1 1 12 12 GLY H H 12 8.433 8.433 7.258 1.175 25776 10360 1 14 . 1 1 13 13 PHE N N 13 120.233 120.233 117.611 2.622 25776 10361 1 14 . 1 1 13 13 PHE C C 13 174.056 174.056 174.269 -0.213 25776 10362 1 14 . 1 1 13 13 PHE CA C 13 57.151 57.151 54.743 2.408 25776 10363 1 14 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.620 0.005 25776 10364 1 14 . 1 1 13 13 PHE H H 13 8.606 8.606 7.702 0.904 25776 10365 1 14 . 1 1 18 18 PRO C C 18 176.552 176.552 175.416 1.136 25776 10366 1 14 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.535 1.556 25776 10367 1 14 . 1 1 18 18 PRO CB C 18 33.649 33.649 33.683 -0.034 25776 10368 1 14 . 1 1 19 19 ASP N N 19 121.094 121.094 118.566 2.528 25776 10369 1 14 . 1 1 19 19 ASP C C 19 176.047 176.047 175.770 0.277 25776 10370 1 14 . 1 1 19 19 ASP CA C 19 55.274 55.274 53.942 1.332 25776 10371 1 14 . 1 1 19 19 ASP CB C 19 42.043 42.043 42.094 -0.051 25776 10372 1 14 . 1 1 19 19 ASP H H 19 8.372 8.372 8.347 0.025 25776 10373 1 14 . 1 1 20 20 ASP N N 20 123.179 123.179 119.881 3.298 25776 10374 1 14 . 1 1 20 20 ASP C C 20 176.790 176.790 177.456 -0.666 25776 10375 1 14 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.852 0.243 25776 10376 1 14 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.693 0.141 25776 10377 1 14 . 1 1 20 20 ASP H H 20 8.357 8.357 7.958 0.399 25776 10378 1 14 . 1 1 21 21 SER N N 21 117.319 117.319 114.895 2.424 25776 10379 1 14 . 1 1 21 21 SER C C 21 175.218 175.218 175.700 -0.482 25776 10380 1 14 . 1 1 21 21 SER CA C 21 60.134 60.134 58.646 1.488 25776 10381 1 14 . 1 1 21 21 SER CB C 21 64.701 64.701 63.109 1.592 25776 10382 1 14 . 1 1 21 21 SER H H 21 8.398 8.398 8.307 0.091 25776 10383 1 14 . 1 1 22 22 SER N N 22 117.994 117.994 117.205 0.789 25776 10384 1 14 . 1 1 22 22 SER C C 22 174.877 174.877 175.367 -0.490 25776 10385 1 14 . 1 1 22 22 SER CA C 22 59.839 59.839 60.515 -0.676 25776 10386 1 14 . 1 1 22 22 SER CB C 22 64.669 64.669 63.522 1.147 25776 10387 1 14 . 1 1 22 22 SER H H 22 8.314 8.314 8.252 0.062 25776 10388 1 14 . 1 1 23 23 SER N N 23 117.809 117.809 115.307 2.502 25776 10389 1 14 . 1 1 23 23 SER C C 23 174.298 174.298 172.743 1.555 25776 10390 1 14 . 1 1 23 23 SER CA C 23 59.629 59.629 57.240 2.389 25776 10391 1 14 . 1 1 23 23 SER CB C 23 64.802 64.802 63.618 1.184 25776 10392 1 14 . 1 1 23 23 SER H H 23 8.143 8.143 8.163 -0.020 25776 10393 1 14 . 1 1 24 24 ASP N N 24 122.829 122.829 123.215 -0.386 25776 10394 1 14 . 1 1 24 24 ASP C C 24 176.250 176.250 175.471 0.779 25776 10395 1 14 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.356 1.137 25776 10396 1 14 . 1 1 24 24 ASP CB C 24 41.841 41.841 39.981 1.860 25776 10397 1 14 . 1 1 24 24 ASP H H 24 8.234 8.234 8.086 0.148 25776 10398 1 14 . 1 1 25 25 ILE N N 25 120.717 120.717 123.042 -2.325 25776 10399 1 14 . 1 1 25 25 ILE C C 25 176.204 176.204 177.749 -1.545 25776 10400 1 14 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.794 0.762 25776 10401 1 14 . 1 1 25 25 ILE CB C 25 39.668 39.668 39.059 0.609 25776 10402 1 14 . 1 1 25 25 ILE H H 25 7.884 7.884 8.092 -0.208 25776 10403 1 14 . 1 1 26 26 LYS N N 26 124.527 124.527 121.221 3.306 25776 10404 1 14 . 1 1 26 26 LYS C C 26 176.616 176.616 177.034 -0.418 25776 10405 1 14 . 1 1 26 26 LYS CA C 26 57.192 57.192 57.981 -0.789 25776 10406 1 14 . 1 1 26 26 LYS CB C 26 33.809 33.809 32.619 1.190 25776 10407 1 14 . 1 1 26 26 LYS H H 26 8.164 8.164 8.190 -0.026 25776 10408 1 14 . 1 1 27 27 LEU N N 27 123.292 123.292 121.471 1.821 25776 10409 1 14 . 1 1 27 27 LEU C C 27 177.077 177.077 176.061 1.016 25776 10410 1 14 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.227 0.946 25776 10411 1 14 . 1 1 27 27 LEU CB C 27 43.317 43.317 41.601 1.716 25776 10412 1 14 . 1 1 27 27 LEU H H 27 8.100 8.100 7.951 0.149 25776 10413 1 14 . 1 1 28 28 ASP N N 28 121.059 121.059 124.245 -3.186 25776 10414 1 14 . 1 1 28 28 ASP C C 28 176.929 176.929 175.913 1.016 25776 10415 1 14 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.556 1.792 25776 10416 1 14 . 1 1 28 28 ASP CB C 28 42.075 42.075 43.406 -1.331 25776 10417 1 14 . 1 1 28 28 ASP H H 28 8.209 8.209 8.057 0.152 25776 10418 1 14 . 1 1 29 29 GLY N N 29 110.032 110.032 111.492 -1.460 25776 10419 1 14 . 1 1 29 29 GLY C C 29 174.364 174.364 173.729 0.635 25776 10420 1 14 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.145 1.733 25776 10421 1 14 . 1 1 29 29 GLY H H 29 8.274 8.274 8.458 -0.184 25776 10422 1 14 . 1 1 30 30 ALA N N 30 124.102 124.102 120.773 3.329 25776 10423 1 14 . 1 1 30 30 ALA C C 30 178.005 178.005 177.487 0.518 25776 10424 1 14 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.145 1.679 25776 10425 1 14 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.692 0.435 25776 10426 1 14 . 1 1 30 30 ALA H H 30 8.085 8.085 8.003 0.082 25776 10427 1 14 . 1 1 31 31 LYS N N 31 119.810 119.810 122.015 -2.205 25776 10428 1 14 . 1 1 31 31 LYS C C 31 176.650 176.650 175.647 1.003 25776 10429 1 14 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.228 1.244 25776 10430 1 14 . 1 1 31 31 LYS CB C 31 33.948 33.948 31.130 2.818 25776 10431 1 14 . 1 1 31 31 LYS H H 31 8.075 8.075 8.359 -0.284 25776 10432 1 14 . 1 1 32 32 GLN N N 32 121.045 121.045 122.160 -1.115 25776 10433 1 14 . 1 1 32 32 GLN C C 32 175.862 175.862 175.762 0.100 25776 10434 1 14 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.713 1.226 25776 10435 1 14 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.963 0.231 25776 10436 1 14 . 1 1 32 32 GLN H H 32 8.182 8.182 8.124 0.058 25776 10437 1 14 . 1 1 33 33 ARG N N 33 122.683 122.683 122.669 0.014 25776 10438 1 14 . 1 1 33 33 ARG C C 33 176.492 176.492 174.736 1.756 25776 10439 1 14 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.181 0.901 25776 10440 1 14 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.910 1.042 25776 10441 1 14 . 1 1 33 33 ARG H H 33 8.288 8.288 8.799 -0.511 25776 10442 1 14 . 1 1 36 36 LYS C C 36 176.028 176.028 175.498 0.530 25776 10443 1 14 . 1 1 36 36 LYS CA C 36 57.223 57.223 55.989 1.234 25776 10444 1 14 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.174 2.088 25776 10445 1 14 . 1 1 37 37 ALA N N 37 125.793 125.793 127.461 -1.668 25776 10446 1 14 . 1 1 37 37 ALA C C 37 177.567 177.567 176.694 0.873 25776 10447 1 14 . 1 1 37 37 ALA CA C 37 53.568 53.568 51.824 1.744 25776 10448 1 14 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.648 0.760 25776 10449 1 14 . 1 1 37 37 ALA H H 37 8.329 8.329 8.205 0.124 25776 10450 1 14 . 1 1 38 38 THR N N 38 113.398 113.398 110.861 2.537 25776 10451 1 14 . 1 1 38 38 THR C C 38 174.556 174.556 174.394 0.162 25776 10452 1 14 . 1 1 38 38 THR CA C 38 62.551 62.551 62.545 0.006 25776 10453 1 14 . 1 1 38 38 THR CB C 38 71.054 71.054 68.299 2.755 25776 10454 1 14 . 1 1 38 38 THR H H 38 8.007 8.007 8.107 -0.100 25776 10455 1 14 . 1 1 39 39 VAL N N 39 120.865 120.865 118.512 2.353 25776 10456 1 14 . 1 1 39 39 VAL C C 39 175.523 175.523 176.048 -0.525 25776 10457 1 14 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.594 0.506 25776 10458 1 14 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.819 1.226 25776 10459 1 14 . 1 1 39 39 VAL H H 39 8.043 8.043 8.074 -0.031 25776 10460 1 14 . 1 1 40 40 ASP N N 40 124.053 124.053 119.594 4.459 25776 10461 1 14 . 1 1 40 40 ASP C C 40 176.132 176.132 174.883 1.249 25776 10462 1 14 . 1 1 40 40 ASP CA C 40 55.281 55.281 53.751 1.530 25776 10463 1 14 . 1 1 40 40 ASP CB C 40 42.219 42.219 43.424 -1.205 25776 10464 1 14 . 1 1 40 40 ASP H H 40 8.333 8.333 7.915 0.418 25776 10465 1 14 . 1 1 41 41 SER N N 41 115.655 115.655 116.788 -1.133 25776 10466 1 14 . 1 1 41 41 SER C C 41 174.147 174.147 173.395 0.752 25776 10467 1 14 . 1 1 41 41 SER CA C 41 59.367 59.367 58.427 0.940 25776 10468 1 14 . 1 1 41 41 SER CB C 41 65.027 65.027 63.772 1.255 25776 10469 1 14 . 1 1 41 41 SER H H 41 8.142 8.142 8.601 -0.459 25776 10470 1 14 . 1 1 42 42 ASP N N 42 123.005 123.005 123.388 -0.383 25776 10471 1 14 . 1 1 42 42 ASP C C 42 176.578 176.578 176.488 0.090 25776 10472 1 14 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.621 0.818 25776 10473 1 14 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.010 0.395 25776 10474 1 14 . 1 1 42 42 ASP H H 42 8.433 8.433 8.650 -0.217 25776 10475 1 14 . 1 1 43 43 THR C C 43 176.244 176.244 174.136 2.108 25776 10476 1 14 . 1 1 43 43 THR CA C 43 62.772 62.772 62.008 0.764 25776 10477 1 14 . 1 1 43 43 THR CB C 43 71.018 71.018 68.978 2.039 25776 10478 1 14 . 1 1 44 44 GLN N N 44 123.824 123.824 122.405 1.419 25776 10479 1 14 . 1 1 44 44 GLN C C 44 177.061 177.061 174.828 2.233 25776 10480 1 14 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.310 1.969 25776 10481 1 14 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.603 4.059 25776 10482 1 14 . 1 1 44 44 GLN H H 44 8.270 8.270 8.033 0.237 25776 10483 1 14 . 1 1 45 45 LEU N N 45 122.159 122.159 123.390 -1.231 25776 10484 1 14 . 1 1 45 45 LEU C C 45 176.419 176.419 176.803 -0.384 25776 10485 1 14 . 1 1 45 45 LEU CA C 45 56.118 56.118 52.660 3.458 25776 10486 1 14 . 1 1 45 45 LEU CB C 45 42.621 42.621 44.221 -1.600 25776 10487 1 14 . 1 1 45 45 LEU H H 45 7.940 7.940 8.294 -0.354 25776 10488 1 14 . 1 1 46 46 GLY N N 46 107.861 107.861 107.472 0.389 25776 10489 1 14 . 1 1 46 46 GLY C C 46 171.538 171.538 171.908 -0.370 25776 10490 1 14 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.989 -0.214 25776 10491 1 14 . 1 1 46 46 GLY H H 46 8.566 8.566 7.850 0.716 25776 10492 1 14 . 1 1 47 47 LEU N N 47 122.959 122.959 122.836 0.123 25776 10493 1 14 . 1 1 47 47 LEU C C 47 175.422 175.422 174.700 0.722 25776 10494 1 14 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.402 0.929 25776 10495 1 14 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.304 2.039 25776 10496 1 14 . 1 1 47 47 LEU H H 47 8.457 8.457 7.942 0.515 25776 10497 1 14 . 1 1 48 48 THR N N 48 112.144 112.144 119.368 -7.224 25776 10498 1 14 . 1 1 48 48 THR C C 48 172.347 172.347 173.167 -0.820 25776 10499 1 14 . 1 1 48 48 THR CA C 48 59.573 59.573 61.697 -2.124 25776 10500 1 14 . 1 1 48 48 THR CB C 48 72.843 72.843 71.204 1.639 25776 10501 1 14 . 1 1 48 48 THR H H 48 8.814 8.814 8.850 -0.036 25776 10502 1 14 . 1 1 49 49 PHE N N 49 118.787 118.787 124.858 -6.071 25776 10503 1 14 . 1 1 49 49 PHE C C 49 174.623 174.623 175.854 -1.231 25776 10504 1 14 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.710 -1.973 25776 10505 1 14 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.418 0.568 25776 10506 1 14 . 1 1 49 49 PHE H H 49 8.455 8.455 9.239 -0.784 25776 10507 1 14 . 1 1 50 50 THR N N 50 121.279 121.279 114.064 7.215 25776 10508 1 14 . 1 1 50 50 THR C C 50 173.272 173.272 173.124 0.148 25776 10509 1 14 . 1 1 50 50 THR CA C 50 63.315 63.315 61.554 1.761 25776 10510 1 14 . 1 1 50 50 THR CB C 50 74.327 74.327 71.526 2.801 25776 10511 1 14 . 1 1 50 50 THR H H 50 9.372 9.372 8.738 0.634 25776 10512 1 14 . 1 1 51 51 TYR N N 51 126.005 126.005 126.761 -0.756 25776 10513 1 14 . 1 1 51 51 TYR C C 51 174.837 174.837 174.684 0.153 25776 10514 1 14 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.401 0.459 25776 10515 1 14 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.975 2.472 25776 10516 1 14 . 1 1 51 51 TYR H H 51 9.157 9.157 8.696 0.461 25776 10517 1 14 . 1 1 52 52 MET N N 52 127.601 127.601 125.545 2.056 25776 10518 1 14 . 1 1 52 52 MET C C 52 174.466 174.466 174.636 -0.170 25776 10519 1 14 . 1 1 52 52 MET CA C 52 53.171 53.171 55.948 -2.777 25776 10520 1 14 . 1 1 52 52 MET CB C 52 29.467 29.467 33.546 -4.079 25776 10521 1 14 . 1 1 52 52 MET H H 52 7.998 7.998 8.439 -0.441 25776 10522 1 14 . 1 1 53 53 PHE N N 53 123.918 123.918 125.811 -1.893 25776 10523 1 14 . 1 1 53 53 PHE C C 53 173.685 173.685 174.630 -0.945 25776 10524 1 14 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.490 1.124 25776 10525 1 14 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.091 -2.980 25776 10526 1 14 . 1 1 53 53 PHE H H 53 7.762 7.762 9.481 -1.719 25776 10527 1 14 . 1 1 54 54 ALA N N 54 125.892 125.892 128.515 -2.623 25776 10528 1 14 . 1 1 54 54 ALA C C 54 174.976 174.976 176.589 -1.613 25776 10529 1 14 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.255 -1.812 25776 10530 1 14 . 1 1 54 54 ALA CB C 54 23.534 23.534 17.547 5.987 25776 10531 1 14 . 1 1 54 54 ALA H H 54 8.396 8.396 8.426 -0.030 25776 10532 1 14 . 1 1 55 55 ASP N N 55 118.951 118.951 122.015 -3.064 25776 10533 1 14 . 1 1 55 55 ASP C C 55 174.777 174.777 174.575 0.202 25776 10534 1 14 . 1 1 55 55 ASP CA C 55 59.139 59.139 55.507 3.632 25776 10535 1 14 . 1 1 55 55 ASP CB C 55 40.948 40.948 41.732 -0.784 25776 10536 1 14 . 1 1 55 55 ASP H H 55 8.632 8.632 8.375 0.257 25776 10537 1 14 . 1 1 56 56 LYS N N 56 106.363 106.363 113.985 -7.622 25776 10538 1 14 . 1 1 56 56 LYS C C 56 174.930 174.930 174.348 0.582 25776 10539 1 14 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.231 -0.361 25776 10540 1 14 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.083 4.354 25776 10541 1 14 . 1 1 56 56 LYS H H 56 7.300 7.300 7.890 -0.590 25776 10542 1 14 . 1 1 57 57 TRP N N 57 115.784 115.784 122.696 -6.912 25776 10543 1 14 . 1 1 57 57 TRP C C 57 173.960 173.960 175.137 -1.177 25776 10544 1 14 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.847 -0.890 25776 10545 1 14 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.485 1.691 25776 10546 1 14 . 1 1 57 57 TRP H H 57 6.612 6.612 8.011 -1.399 25776 10547 1 14 . 1 1 58 58 GLY N N 58 107.657 107.657 108.178 -0.521 25776 10548 1 14 . 1 1 58 58 GLY C C 58 172.720 172.720 172.029 0.691 25776 10549 1 14 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.493 0.291 25776 10550 1 14 . 1 1 58 58 GLY H H 58 9.271 9.271 8.411 0.860 25776 10551 1 14 . 1 1 59 59 VAL N N 59 118.434 118.434 125.537 -7.103 25776 10552 1 14 . 1 1 59 59 VAL C C 59 172.973 172.973 174.505 -1.532 25776 10553 1 14 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.665 -1.027 25776 10554 1 14 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.504 3.532 25776 10555 1 14 . 1 1 59 59 VAL H H 59 9.080 9.080 8.386 0.694 25776 10556 1 14 . 1 1 60 60 GLU N N 60 127.915 127.915 129.117 -1.202 25776 10557 1 14 . 1 1 60 60 GLU C C 60 174.464 174.464 174.752 -0.288 25776 10558 1 14 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.500 -0.749 25776 10559 1 14 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.414 2.627 25776 10560 1 14 . 1 1 60 60 GLU H H 60 9.431 9.431 8.844 0.587 25776 10561 1 14 . 1 1 61 61 LEU N N 61 127.764 127.764 127.266 0.498 25776 10562 1 14 . 1 1 61 61 LEU C C 61 174.746 174.746 174.952 -0.206 25776 10563 1 14 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.836 -0.845 25776 10564 1 14 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.922 0.958 25776 10565 1 14 . 1 1 61 61 LEU H H 61 8.730 8.730 8.453 0.277 25776 10566 1 14 . 1 1 62 62 VAL N N 62 126.465 126.465 125.863 0.602 25776 10567 1 14 . 1 1 62 62 VAL C C 62 174.453 174.453 174.581 -0.128 25776 10568 1 14 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.704 0.581 25776 10569 1 14 . 1 1 62 62 VAL CB C 62 35.086 35.086 33.355 1.731 25776 10570 1 14 . 1 1 62 62 VAL H H 62 9.068 9.068 9.035 0.033 25776 10571 1 14 . 1 1 63 63 ALA N N 63 130.444 130.444 126.926 3.518 25776 10572 1 14 . 1 1 63 63 ALA C C 63 174.030 174.030 175.102 -1.072 25776 10573 1 14 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.121 -0.871 25776 10574 1 14 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.229 1.274 25776 10575 1 14 . 1 1 63 63 ALA H H 63 9.124 9.124 8.882 0.242 25776 10576 1 14 . 1 1 64 64 ALA N N 64 121.285 121.285 126.594 -5.309 25776 10577 1 14 . 1 1 64 64 ALA C C 64 176.843 176.843 175.960 0.883 25776 10578 1 14 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.989 0.181 25776 10579 1 14 . 1 1 64 64 ALA CB C 64 23.172 23.172 22.042 1.130 25776 10580 1 14 . 1 1 64 64 ALA H H 64 7.995 7.995 8.720 -0.725 25776 10581 1 14 . 1 1 65 65 THR N N 65 109.734 109.734 114.116 -4.382 25776 10582 1 14 . 1 1 65 65 THR C C 65 176.739 176.739 174.479 2.260 25776 10583 1 14 . 1 1 65 65 THR CA C 65 61.660 61.660 59.270 2.390 25776 10584 1 14 . 1 1 65 65 THR CB C 65 68.341 68.341 69.700 -1.359 25776 10585 1 14 . 1 1 65 65 THR H H 65 8.108 8.108 8.351 -0.243 25776 10586 1 14 . 1 1 67 67 PHE N N 67 123.676 123.676 113.541 10.135 25776 10587 1 14 . 1 1 67 67 PHE CA C 67 56.849 56.849 58.122 -1.273 25776 10588 1 14 . 1 1 67 67 PHE H H 67 8.382 8.382 7.663 0.719 25776 10589 1 14 . 1 1 74 74 LYS C C 74 177.704 177.704 176.564 1.140 25776 10590 1 14 . 1 1 74 74 LYS CA C 74 56.028 56.028 57.193 -1.165 25776 10591 1 14 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.489 0.573 25776 10592 1 14 . 1 1 75 75 GLY N N 75 108.841 108.841 109.652 -0.811 25776 10593 1 14 . 1 1 75 75 GLY C C 75 174.405 174.405 173.747 0.658 25776 10594 1 14 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.519 2.193 25776 10595 1 14 . 1 1 75 75 GLY H H 75 8.069 8.069 8.239 -0.170 25776 10596 1 14 . 1 1 76 76 LEU N N 76 120.093 120.093 123.813 -3.720 25776 10597 1 14 . 1 1 76 76 LEU C C 76 176.997 176.997 178.140 -1.143 25776 10598 1 14 . 1 1 76 76 LEU CA C 76 56.180 56.180 56.737 -0.557 25776 10599 1 14 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.658 3.339 25776 10600 1 14 . 1 1 76 76 LEU H H 76 7.623 7.623 9.650 -2.027 25776 10601 1 14 . 1 1 79 79 GLY C C 79 175.675 175.675 173.748 1.927 25776 10602 1 14 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.583 2.516 25776 10603 1 14 . 1 1 80 80 LEU N N 80 130.062 130.062 120.390 9.672 25776 10604 1 14 . 1 1 80 80 LEU C C 80 176.062 176.062 176.898 -0.836 25776 10605 1 14 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.335 0.069 25776 10606 1 14 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.270 0.736 25776 10607 1 14 . 1 1 80 80 LEU H H 80 9.441 9.441 8.143 1.298 25776 10608 1 14 . 1 1 81 81 ASP N N 81 124.816 124.816 120.850 3.966 25776 10609 1 14 . 1 1 81 81 ASP C C 81 178.992 178.992 175.979 3.013 25776 10610 1 14 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.886 1.883 25776 10611 1 14 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.081 0.866 25776 10612 1 14 . 1 1 81 81 ASP H H 81 7.854 7.854 8.106 -0.252 25776 10613 1 14 . 1 1 91 91 PRO C C 91 175.297 175.297 175.903 -0.606 25776 10614 1 14 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.733 -0.901 25776 10615 1 14 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.374 1.157 25776 10616 1 14 . 1 1 92 92 ALA N N 92 123.521 123.521 125.732 -2.211 25776 10617 1 14 . 1 1 92 92 ALA C C 92 175.643 175.643 175.867 -0.224 25776 10618 1 14 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.528 2.147 25776 10619 1 14 . 1 1 92 92 ALA CB C 92 22.725 22.725 23.029 -0.304 25776 10620 1 14 . 1 1 92 92 ALA H H 92 8.829 8.829 8.079 0.750 25776 10621 1 14 . 1 1 93 93 THR N N 93 117.599 117.599 115.580 2.019 25776 10622 1 14 . 1 1 93 93 THR C C 93 171.440 171.440 173.626 -2.186 25776 10623 1 14 . 1 1 93 93 THR CA C 93 62.066 62.066 62.175 -0.109 25776 10624 1 14 . 1 1 93 93 THR CB C 93 72.352 72.352 70.316 2.036 25776 10625 1 14 . 1 1 93 93 THR H H 93 8.237 8.237 8.077 0.160 25776 10626 1 14 . 1 1 94 94 LEU N N 94 129.530 129.530 126.055 3.475 25776 10627 1 14 . 1 1 94 94 LEU C C 94 174.995 174.995 174.709 0.286 25776 10628 1 14 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.313 0.881 25776 10629 1 14 . 1 1 94 94 LEU CB C 94 47.165 47.165 43.180 3.985 25776 10630 1 14 . 1 1 94 94 LEU H H 94 8.732 8.732 8.276 0.456 25776 10631 1 14 . 1 1 95 95 LEU N N 95 124.181 124.181 118.795 5.386 25776 10632 1 14 . 1 1 95 95 LEU C C 95 175.270 175.270 175.078 0.192 25776 10633 1 14 . 1 1 95 95 LEU CA C 95 55.533 55.533 53.710 1.823 25776 10634 1 14 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.394 1.278 25776 10635 1 14 . 1 1 95 95 LEU H H 95 9.485 9.485 8.373 1.112 25776 10636 1 14 . 1 1 96 96 LEU N N 96 123.444 123.444 122.838 0.606 25776 10637 1 14 . 1 1 96 96 LEU C C 96 174.997 174.997 176.022 -1.025 25776 10638 1 14 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.392 1.921 25776 10639 1 14 . 1 1 96 96 LEU CB C 96 45.148 45.148 40.960 4.188 25776 10640 1 14 . 1 1 96 96 LEU H H 96 8.836 8.836 8.733 0.103 25776 10641 1 14 . 1 1 97 97 GLN N N 97 121.545 121.545 124.906 -3.361 25776 10642 1 14 . 1 1 97 97 GLN C C 97 174.324 174.324 174.201 0.123 25776 10643 1 14 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.662 0.726 25776 10644 1 14 . 1 1 97 97 GLN CB C 97 37.524 37.524 32.304 5.220 25776 10645 1 14 . 1 1 97 97 GLN H H 97 9.566 9.566 9.001 0.565 25776 10646 1 14 . 1 1 98 98 TYR N N 98 122.246 122.246 119.178 3.068 25776 10647 1 14 . 1 1 98 98 TYR C C 98 173.409 173.409 174.325 -0.916 25776 10648 1 14 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.419 0.236 25776 10649 1 14 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.600 1.608 25776 10650 1 14 . 1 1 98 98 TYR H H 98 9.053 9.053 8.897 0.156 25776 10651 1 14 . 1 1 99 99 TYR N N 99 126.872 126.872 119.506 7.366 25776 10652 1 14 . 1 1 99 99 TYR C C 99 175.310 175.310 174.261 1.049 25776 10653 1 14 . 1 1 99 99 TYR CA C 99 54.756 54.756 53.639 1.117 25776 10654 1 14 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.499 1.136 25776 10655 1 14 . 1 1 99 99 TYR H H 99 8.344 8.344 8.587 -0.243 25776 10656 1 14 . 1 1 100 100 PRO C C 100 178.304 178.304 176.917 1.387 25776 10657 1 14 . 1 1 100 100 PRO CA C 100 65.410 65.410 63.900 1.510 25776 10658 1 14 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.398 0.709 25776 10659 1 14 . 1 1 101 101 MET N N 101 114.703 114.703 119.267 -4.564 25776 10660 1 14 . 1 1 101 101 MET C C 101 178.218 178.218 175.686 2.532 25776 10661 1 14 . 1 1 101 101 MET CA C 101 54.147 54.147 54.989 -0.842 25776 10662 1 14 . 1 1 101 101 MET CB C 101 30.956 30.956 32.977 -2.021 25776 10663 1 14 . 1 1 101 101 MET H H 101 9.432 9.432 7.844 1.588 25776 10664 1 14 . 1 1 102 102 GLY N N 102 117.671 117.671 107.373 10.298 25776 10665 1 14 . 1 1 102 102 GLY C C 102 175.611 175.611 173.853 1.758 25776 10666 1 14 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.891 2.561 25776 10667 1 14 . 1 1 102 102 GLY H H 102 8.671 8.671 7.540 1.131 25776 10668 1 14 . 1 1 103 103 GLY N N 103 111.298 111.298 109.879 1.419 25776 10669 1 14 . 1 1 103 103 GLY C C 103 174.054 174.054 174.770 -0.716 25776 10670 1 14 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.678 2.142 25776 10671 1 14 . 1 1 103 103 GLY H H 103 9.436 9.436 8.471 0.965 25776 10672 1 14 . 1 1 104 104 THR N N 104 109.330 109.330 113.859 -4.529 25776 10673 1 14 . 1 1 104 104 THR C C 104 174.248 174.248 174.724 -0.476 25776 10674 1 14 . 1 1 104 104 THR CA C 104 61.454 61.454 60.609 0.844 25776 10675 1 14 . 1 1 104 104 THR CB C 104 72.711 72.711 69.620 3.091 25776 10676 1 14 . 1 1 104 104 THR H H 104 7.321 7.321 7.444 -0.123 25776 10677 1 14 . 1 1 105 105 ASN C C 105 175.032 175.032 174.311 0.721 25776 10678 1 14 . 1 1 105 105 ASN CA C 105 53.413 53.413 52.936 0.477 25776 10679 1 14 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.475 0.367 25776 10680 1 14 . 1 1 106 106 SER N N 106 113.116 113.116 116.396 -3.280 25776 10681 1 14 . 1 1 106 106 SER C C 106 175.961 175.961 174.895 1.066 25776 10682 1 14 . 1 1 106 106 SER CA C 106 59.289 59.289 57.840 1.449 25776 10683 1 14 . 1 1 106 106 SER CB C 106 65.208 65.208 63.474 1.734 25776 10684 1 14 . 1 1 106 106 SER H H 106 7.487 7.487 7.295 0.192 25776 10685 1 14 . 1 1 107 107 ALA N N 107 132.317 132.317 129.546 2.771 25776 10686 1 14 . 1 1 107 107 ALA C C 107 176.554 176.554 177.502 -0.948 25776 10687 1 14 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.121 1.878 25776 10688 1 14 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.898 0.632 25776 10689 1 14 . 1 1 107 107 ALA H H 107 8.891 8.891 8.225 0.666 25776 10690 1 14 . 1 1 108 108 PHE N N 108 116.265 116.265 113.546 2.719 25776 10691 1 14 . 1 1 108 108 PHE C C 108 174.254 174.254 174.821 -0.567 25776 10692 1 14 . 1 1 108 108 PHE CA C 108 56.664 56.664 55.297 1.367 25776 10693 1 14 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.075 1.160 25776 10694 1 14 . 1 1 108 108 PHE H H 108 7.592 7.592 6.529 1.063 25776 10695 1 14 . 1 1 109 109 GLN N N 109 128.401 128.401 122.050 6.351 25776 10696 1 14 . 1 1 109 109 GLN C C 109 172.298 172.298 173.921 -1.623 25776 10697 1 14 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.836 0.101 25776 10698 1 14 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.583 -0.603 25776 10699 1 14 . 1 1 109 109 GLN H H 109 9.095 9.095 8.452 0.643 25776 10700 1 14 . 1 1 110 110 PRO C C 110 175.005 175.005 175.687 -0.682 25776 10701 1 14 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.975 -0.751 25776 10702 1 14 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.291 1.838 25776 10703 1 14 . 1 1 111 111 TYR N N 111 115.731 115.731 120.699 -4.968 25776 10704 1 14 . 1 1 111 111 TYR C C 111 173.783 173.783 174.015 -0.232 25776 10705 1 14 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.477 -0.405 25776 10706 1 14 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.079 -3.644 25776 10707 1 14 . 1 1 111 111 TYR H H 111 8.510 8.510 8.226 0.284 25776 10708 1 14 . 1 1 112 112 GLY N N 112 103.737 103.737 108.180 -4.443 25776 10709 1 14 . 1 1 112 112 GLY C C 112 172.014 172.014 171.787 0.227 25776 10710 1 14 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.913 0.731 25776 10711 1 14 . 1 1 112 112 GLY H H 112 8.149 8.149 8.224 -0.075 25776 10712 1 14 . 1 1 113 113 GLY N N 113 108.372 108.372 109.111 -0.739 25776 10713 1 14 . 1 1 113 113 GLY C C 113 171.486 171.486 171.636 -0.150 25776 10714 1 14 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.752 1.089 25776 10715 1 14 . 1 1 113 113 GLY H H 113 9.028 9.028 8.891 0.137 25776 10716 1 14 . 1 1 114 114 LEU N N 114 120.469 120.469 117.892 2.577 25776 10717 1 14 . 1 1 114 114 LEU C C 114 175.878 175.878 175.051 0.827 25776 10718 1 14 . 1 1 114 114 LEU CA C 114 54.611 54.611 54.141 0.470 25776 10719 1 14 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.703 2.274 25776 10720 1 14 . 1 1 114 114 LEU H H 114 8.741 8.741 7.943 0.798 25776 10721 1 14 . 1 1 115 115 GLY N N 115 111.145 111.145 105.261 5.884 25776 10722 1 14 . 1 1 115 115 GLY C C 115 171.336 171.336 172.159 -0.823 25776 10723 1 14 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.876 1.979 25776 10724 1 14 . 1 1 115 115 GLY H H 115 8.952 8.952 8.197 0.755 25776 10725 1 14 . 1 1 116 116 VAL N N 116 118.641 118.641 115.329 3.312 25776 10726 1 14 . 1 1 116 116 VAL C C 116 172.617 172.617 174.024 -1.407 25776 10727 1 14 . 1 1 116 116 VAL CA C 116 60.716 60.716 58.661 2.055 25776 10728 1 14 . 1 1 116 116 VAL CB C 116 37.372 37.372 34.764 2.608 25776 10729 1 14 . 1 1 116 116 VAL H H 116 8.844 8.844 8.520 0.324 25776 10730 1 14 . 1 1 117 117 ASN N N 117 123.839 123.839 120.336 3.503 25776 10731 1 14 . 1 1 117 117 ASN C C 117 171.105 171.105 174.049 -2.944 25776 10732 1 14 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.843 1.099 25776 10733 1 14 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.457 3.121 25776 10734 1 14 . 1 1 117 117 ASN H H 117 9.647 9.647 9.076 0.571 25776 10735 1 14 . 1 1 118 118 TYR N N 118 125.160 125.160 125.467 -0.307 25776 10736 1 14 . 1 1 118 118 TYR C C 118 174.349 174.349 173.822 0.527 25776 10737 1 14 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.282 -0.725 25776 10738 1 14 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.169 0.395 25776 10739 1 14 . 1 1 118 118 TYR H H 118 8.989 8.989 8.668 0.321 25776 10740 1 14 . 1 1 119 119 THR N N 119 124.319 124.319 117.824 6.495 25776 10741 1 14 . 1 1 119 119 THR C C 119 171.231 171.231 173.292 -2.061 25776 10742 1 14 . 1 1 119 119 THR CA C 119 62.951 62.951 61.031 1.920 25776 10743 1 14 . 1 1 119 119 THR CB C 119 72.427 72.427 71.901 0.526 25776 10744 1 14 . 1 1 119 119 THR H H 119 8.806 8.806 8.147 0.659 25776 10745 1 14 . 1 1 120 120 THR N N 120 119.978 119.978 118.935 1.043 25776 10746 1 14 . 1 1 120 120 THR C C 120 171.174 171.174 173.464 -2.290 25776 10747 1 14 . 1 1 120 120 THR CA C 120 59.197 59.197 61.846 -2.649 25776 10748 1 14 . 1 1 120 120 THR CB C 120 72.088 72.088 71.328 0.760 25776 10749 1 14 . 1 1 120 120 THR H H 120 7.559 7.559 8.284 -0.725 25776 10750 1 14 . 1 1 121 121 PHE C C 121 175.289 175.289 175.017 0.272 25776 10751 1 14 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.407 2.962 25776 10752 1 14 . 1 1 122 122 PHE N N 122 117.578 117.578 120.724 -3.146 25776 10753 1 14 . 1 1 122 122 PHE C C 122 172.555 172.555 175.941 -3.386 25776 10754 1 14 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.947 -1.063 25776 10755 1 14 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.841 0.390 25776 10756 1 14 . 1 1 122 122 PHE H H 122 8.541 8.541 8.429 0.112 25776 10757 1 14 . 1 1 123 123 ASP N N 123 116.448 116.448 120.580 -4.132 25776 10758 1 14 . 1 1 123 123 ASP C C 123 175.240 175.240 175.760 -0.520 25776 10759 1 14 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.139 1.695 25776 10760 1 14 . 1 1 123 123 ASP CB C 123 39.844 39.844 40.840 -0.996 25776 10761 1 14 . 1 1 123 123 ASP H H 123 8.940 8.940 8.507 0.433 25776 10762 1 14 . 1 1 124 124 GLU C C 124 177.545 177.545 176.160 1.385 25776 10763 1 14 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.426 3.464 25776 10764 1 14 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.612 -1.154 25776 10765 1 14 . 1 1 125 125 ASP N N 125 126.424 126.424 125.422 1.002 25776 10766 1 14 . 1 1 125 125 ASP C C 125 176.191 176.191 176.227 -0.036 25776 10767 1 14 . 1 1 125 125 ASP CA C 125 54.011 54.011 53.894 0.117 25776 10768 1 14 . 1 1 125 125 ASP CB C 125 43.549 43.549 40.913 2.636 25776 10769 1 14 . 1 1 125 125 ASP H H 125 9.100 9.100 8.796 0.304 25776 10770 1 14 . 1 1 126 126 LEU N N 126 127.990 127.990 119.562 8.428 25776 10771 1 14 . 1 1 126 126 LEU C C 126 175.808 175.808 175.969 -0.161 25776 10772 1 14 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.129 1.139 25776 10773 1 14 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.960 1.896 25776 10774 1 14 . 1 1 126 126 LEU H H 126 8.570 8.570 7.579 0.991 25776 10775 1 14 . 1 1 127 127 ALA N N 127 124.126 124.126 121.496 2.630 25776 10776 1 14 . 1 1 127 127 ALA C C 127 179.833 179.833 176.839 2.994 25776 10777 1 14 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.878 0.843 25776 10778 1 14 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.620 0.439 25776 10779 1 14 . 1 1 127 127 ALA H H 127 7.885 7.885 7.795 0.090 25776 10780 1 14 . 1 1 129 129 ASN C C 129 176.927 176.927 176.198 0.729 25776 10781 1 14 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.775 -1.302 25776 10782 1 14 . 1 1 130 130 ARG N N 130 117.748 117.748 121.131 -3.383 25776 10783 1 14 . 1 1 130 130 ARG C C 130 179.430 179.430 177.913 1.517 25776 10784 1 14 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.587 -2.744 25776 10785 1 14 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.419 -0.093 25776 10786 1 14 . 1 1 130 130 ARG H H 130 7.435 7.435 8.209 -0.774 25776 10787 1 14 . 1 1 131 131 LYS N N 131 122.261 122.261 117.755 4.506 25776 10788 1 14 . 1 1 131 131 LYS C C 131 180.937 180.937 178.920 2.017 25776 10789 1 14 . 1 1 131 131 LYS CA C 131 60.461 60.461 59.051 1.410 25776 10790 1 14 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.823 1.088 25776 10791 1 14 . 1 1 131 131 LYS H H 131 7.945 7.945 8.626 -0.681 25776 10792 1 14 . 1 1 132 132 ALA N N 132 122.083 122.083 121.628 0.455 25776 10793 1 14 . 1 1 132 132 ALA C C 132 178.748 178.748 179.194 -0.446 25776 10794 1 14 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.440 0.929 25776 10795 1 14 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.992 1.137 25776 10796 1 14 . 1 1 132 132 ALA H H 132 7.770 7.770 8.030 -0.260 25776 10797 1 14 . 1 1 133 133 GLN N N 133 116.102 116.102 116.320 -0.218 25776 10798 1 14 . 1 1 133 133 GLN C C 133 175.525 175.525 176.751 -1.226 25776 10799 1 14 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.401 0.697 25776 10800 1 14 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.333 1.022 25776 10801 1 14 . 1 1 133 133 GLN H H 133 7.302 7.302 7.736 -0.434 25776 10802 1 14 . 1 1 134 134 GLY N N 134 104.444 104.444 106.931 -2.487 25776 10803 1 14 . 1 1 134 134 GLY C C 134 174.460 174.460 173.655 0.805 25776 10804 1 14 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.506 1.376 25776 10805 1 14 . 1 1 134 134 GLY H H 134 7.596 7.596 7.684 -0.088 25776 10806 1 14 . 1 1 135 135 PHE N N 135 119.775 119.775 121.948 -2.173 25776 10807 1 14 . 1 1 135 135 PHE C C 135 174.922 174.922 175.649 -0.727 25776 10808 1 14 . 1 1 135 135 PHE CA C 135 58.894 58.894 58.235 0.659 25776 10809 1 14 . 1 1 135 135 PHE CB C 135 40.291 40.291 38.716 1.575 25776 10810 1 14 . 1 1 135 135 PHE H H 135 7.737 7.737 7.735 0.002 25776 10811 1 14 . 1 1 136 136 SER N N 136 115.673 115.673 121.419 -5.746 25776 10812 1 14 . 1 1 136 136 SER C C 136 174.415 174.415 174.705 -0.290 25776 10813 1 14 . 1 1 136 136 SER CA C 136 59.679 59.679 58.413 1.266 25776 10814 1 14 . 1 1 136 136 SER CB C 136 66.246 66.246 64.660 1.586 25776 10815 1 14 . 1 1 136 136 SER H H 136 8.862 8.862 8.372 0.490 25776 10816 1 14 . 1 1 137 137 SER N N 137 114.341 114.341 117.486 -3.145 25776 10817 1 14 . 1 1 137 137 SER C C 137 172.164 172.164 174.126 -1.962 25776 10818 1 14 . 1 1 137 137 SER CA C 137 58.955 58.955 57.481 1.474 25776 10819 1 14 . 1 1 137 137 SER CB C 137 65.592 65.592 65.014 0.578 25776 10820 1 14 . 1 1 137 137 SER H H 137 7.912 7.912 8.002 -0.090 25776 10821 1 14 . 1 1 138 138 MET N N 138 120.555 120.555 120.072 0.483 25776 10822 1 14 . 1 1 138 138 MET C C 138 173.189 173.189 174.612 -1.423 25776 10823 1 14 . 1 1 138 138 MET CA C 138 55.879 55.879 55.922 -0.043 25776 10824 1 14 . 1 1 138 138 MET CB C 138 36.962 36.962 32.981 3.981 25776 10825 1 14 . 1 1 138 138 MET H H 138 8.461 8.461 8.406 0.055 25776 10826 1 14 . 1 1 141 141 GLN C C 141 176.182 176.182 174.931 1.251 25776 10827 1 14 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.572 2.863 25776 10828 1 14 . 1 1 142 142 ASP N N 142 124.414 124.414 119.870 4.544 25776 10829 1 14 . 1 1 142 142 ASP C C 142 175.702 175.702 175.228 0.474 25776 10830 1 14 . 1 1 142 142 ASP CA C 142 56.307 56.307 53.760 2.547 25776 10831 1 14 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.438 0.300 25776 10832 1 14 . 1 1 142 142 ASP H H 142 8.728 8.728 8.463 0.265 25776 10833 1 14 . 1 1 143 143 SER N N 143 114.920 114.920 115.026 -0.106 25776 10834 1 14 . 1 1 143 143 SER C C 143 172.289 172.289 173.346 -1.057 25776 10835 1 14 . 1 1 143 143 SER CA C 143 57.652 57.652 57.374 0.278 25776 10836 1 14 . 1 1 143 143 SER CB C 143 66.215 66.215 64.450 1.766 25776 10837 1 14 . 1 1 143 143 SER H H 143 8.703 8.703 7.968 0.735 25776 10838 1 14 . 1 1 144 144 TRP N N 144 126.444 126.444 119.626 6.818 25776 10839 1 14 . 1 1 144 144 TRP C C 144 177.307 177.307 175.203 2.104 25776 10840 1 14 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.587 1.288 25776 10841 1 14 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.396 2.967 25776 10842 1 14 . 1 1 144 144 TRP H H 144 8.101 8.101 7.529 0.572 25776 10843 1 14 . 1 1 145 145 GLY N N 145 108.757 108.757 106.038 2.719 25776 10844 1 14 . 1 1 145 145 GLY C C 145 171.985 171.985 172.089 -0.104 25776 10845 1 14 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.968 1.580 25776 10846 1 14 . 1 1 145 145 GLY H H 145 8.889 8.889 8.115 0.774 25776 10847 1 14 . 1 1 146 146 LEU N N 146 121.579 121.579 120.684 0.895 25776 10848 1 14 . 1 1 146 146 LEU C C 146 174.909 174.909 176.964 -2.055 25776 10849 1 14 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.393 1.782 25776 10850 1 14 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.615 2.548 25776 10851 1 14 . 1 1 146 146 LEU H H 146 9.035 9.035 8.077 0.958 25776 10852 1 14 . 1 1 147 147 ALA N N 147 121.342 121.342 126.718 -5.376 25776 10853 1 14 . 1 1 147 147 ALA C C 147 175.588 175.588 176.661 -1.073 25776 10854 1 14 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.831 1.103 25776 10855 1 14 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.520 2.585 25776 10856 1 14 . 1 1 147 147 ALA H H 147 8.123 8.123 8.973 -0.850 25776 10857 1 14 . 1 1 148 148 GLY N N 148 106.598 106.598 105.228 1.370 25776 10858 1 14 . 1 1 148 148 GLY C C 148 171.829 171.829 172.696 -0.867 25776 10859 1 14 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.269 0.479 25776 10860 1 14 . 1 1 148 148 GLY H H 148 9.216 9.216 8.064 1.152 25776 10861 1 14 . 1 1 149 149 GLU N N 149 122.775 122.775 121.385 1.390 25776 10862 1 14 . 1 1 149 149 GLU C C 149 174.078 174.078 174.448 -0.370 25776 10863 1 14 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.973 -0.171 25776 10864 1 14 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.539 3.876 25776 10865 1 14 . 1 1 149 149 GLU H H 149 8.493 8.493 8.564 -0.071 25776 10866 1 14 . 1 1 150 150 LEU N N 150 126.310 126.310 124.722 1.588 25776 10867 1 14 . 1 1 150 150 LEU C C 150 174.309 174.309 175.324 -1.015 25776 10868 1 14 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.931 0.012 25776 10869 1 14 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.676 2.815 25776 10870 1 14 . 1 1 150 150 LEU H H 150 8.580 8.580 8.131 0.449 25776 10871 1 14 . 1 1 151 151 GLY N N 151 109.909 109.909 110.789 -0.880 25776 10872 1 14 . 1 1 151 151 GLY C C 151 170.538 170.538 171.469 -0.931 25776 10873 1 14 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.710 0.910 25776 10874 1 14 . 1 1 151 151 GLY H H 151 8.115 8.115 8.650 -0.535 25776 10875 1 14 . 1 1 152 152 PHE N N 152 111.012 111.012 115.856 -4.844 25776 10876 1 14 . 1 1 152 152 PHE C C 152 171.455 171.455 174.056 -2.601 25776 10877 1 14 . 1 1 152 152 PHE CA C 152 58.712 58.712 57.025 1.687 25776 10878 1 14 . 1 1 152 152 PHE CB C 152 42.495 42.495 43.416 -0.921 25776 10879 1 14 . 1 1 152 152 PHE H H 152 8.365 8.365 9.061 -0.696 25776 10880 1 14 . 1 1 153 153 ASP N N 153 119.057 119.057 122.285 -3.228 25776 10881 1 14 . 1 1 153 153 ASP C C 153 176.522 176.522 175.491 1.031 25776 10882 1 14 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.648 -0.182 25776 10883 1 14 . 1 1 153 153 ASP CB C 153 45.097 45.097 41.897 3.200 25776 10884 1 14 . 1 1 153 153 ASP H H 153 8.014 8.014 8.750 -0.736 25776 10885 1 14 . 1 1 154 154 TYR N N 154 123.640 123.640 125.286 -1.646 25776 10886 1 14 . 1 1 154 154 TYR C C 154 175.593 175.593 175.484 0.109 25776 10887 1 14 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.687 0.202 25776 10888 1 14 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.535 4.287 25776 10889 1 14 . 1 1 154 154 TYR H H 154 9.744 9.744 8.390 1.354 25776 10890 1 14 . 1 1 155 155 MET N N 155 126.409 126.409 121.738 4.671 25776 10891 1 14 . 1 1 155 155 MET C C 155 174.938 174.938 176.368 -1.430 25776 10892 1 14 . 1 1 155 155 MET CA C 155 55.410 55.410 56.031 -0.621 25776 10893 1 14 . 1 1 155 155 MET CB C 155 29.170 29.170 32.891 -3.720 25776 10894 1 14 . 1 1 155 155 MET H H 155 8.659 8.659 8.473 0.186 25776 10895 1 14 . 1 1 156 156 LEU N N 156 125.396 125.396 124.301 1.095 25776 10896 1 14 . 1 1 156 156 LEU C C 156 177.567 177.567 177.641 -0.074 25776 10897 1 14 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.807 0.766 25776 10898 1 14 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.847 1.065 25776 10899 1 14 . 1 1 156 156 LEU H H 156 9.232 9.232 8.626 0.606 25776 10900 1 14 . 1 1 157 157 ASN N N 157 114.903 114.903 114.717 0.186 25776 10901 1 14 . 1 1 157 157 ASN C C 157 173.568 173.568 175.870 -2.302 25776 10902 1 14 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.100 -1.908 25776 10903 1 14 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.228 0.682 25776 10904 1 14 . 1 1 157 157 ASN H H 157 8.099 8.099 8.139 -0.040 25776 10905 1 14 . 1 1 158 158 GLU N N 158 114.724 114.724 118.510 -3.786 25776 10906 1 14 . 1 1 158 158 GLU C C 158 176.032 176.032 177.141 -1.109 25776 10907 1 14 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.174 2.504 25776 10908 1 14 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.405 0.110 25776 10909 1 14 . 1 1 158 158 GLU H H 158 8.625 8.625 8.719 -0.094 25776 10910 1 14 . 1 1 159 159 HIS N N 159 111.022 111.022 114.859 -3.837 25776 10911 1 14 . 1 1 159 159 HIS C C 159 173.158 173.158 174.232 -1.074 25776 10912 1 14 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.516 0.920 25776 10913 1 14 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.169 1.223 25776 10914 1 14 . 1 1 159 159 HIS H H 159 8.201 8.201 8.079 0.122 25776 10915 1 14 . 1 1 160 160 ALA N N 160 122.967 122.967 120.252 2.715 25776 10916 1 14 . 1 1 160 160 ALA C C 160 176.212 176.212 175.252 0.960 25776 10917 1 14 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.176 1.146 25776 10918 1 14 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.561 1.865 25776 10919 1 14 . 1 1 160 160 ALA H H 160 8.389 8.389 7.491 0.898 25776 10920 1 14 . 1 1 161 161 LEU N N 161 116.648 116.648 115.382 1.266 25776 10921 1 14 . 1 1 161 161 LEU C C 161 174.922 174.922 175.378 -0.456 25776 10922 1 14 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.751 1.134 25776 10923 1 14 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.408 2.087 25776 10924 1 14 . 1 1 161 161 LEU H H 161 8.616 8.616 8.025 0.591 25776 10925 1 14 . 1 1 162 162 PHE N N 162 121.938 121.938 119.583 2.355 25776 10926 1 14 . 1 1 162 162 PHE C C 162 171.989 171.989 174.319 -2.330 25776 10927 1 14 . 1 1 162 162 PHE CA C 162 57.018 57.018 57.104 -0.086 25776 10928 1 14 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.578 0.511 25776 10929 1 14 . 1 1 162 162 PHE H H 162 9.221 9.221 8.429 0.792 25776 10930 1 14 . 1 1 163 163 ASN N N 163 127.932 127.932 122.749 5.183 25776 10931 1 14 . 1 1 163 163 ASN C C 163 171.357 171.357 173.720 -2.363 25776 10932 1 14 . 1 1 163 163 ASN CA C 163 52.949 52.949 53.261 -0.312 25776 10933 1 14 . 1 1 163 163 ASN CB C 163 47.040 47.040 42.148 4.892 25776 10934 1 14 . 1 1 163 163 ASN H H 163 7.735 7.735 8.466 -0.731 25776 10935 1 14 . 1 1 164 164 MET N N 164 120.121 120.121 124.914 -4.793 25776 10936 1 14 . 1 1 164 164 MET C C 164 172.837 172.837 174.082 -1.245 25776 10937 1 14 . 1 1 164 164 MET CA C 164 55.914 55.914 54.584 1.329 25776 10938 1 14 . 1 1 164 164 MET CB C 164 38.643 38.643 35.497 3.146 25776 10939 1 14 . 1 1 164 164 MET H H 164 7.092 7.092 8.843 -1.751 25776 10940 1 14 . 1 1 165 165 ALA N N 165 120.745 120.745 125.322 -4.577 25776 10941 1 14 . 1 1 165 165 ALA C C 165 174.047 174.047 174.662 -0.615 25776 10942 1 14 . 1 1 165 165 ALA CA C 165 52.414 52.414 50.924 1.490 25776 10943 1 14 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.840 0.303 25776 10944 1 14 . 1 1 165 165 ALA H H 165 8.370 8.370 8.541 -0.171 25776 10945 1 14 . 1 1 166 166 VAL N N 166 118.385 118.385 113.851 4.534 25776 10946 1 14 . 1 1 166 166 VAL C C 166 172.556 172.556 174.580 -2.024 25776 10947 1 14 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.904 -0.276 25776 10948 1 14 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.887 2.240 25776 10949 1 14 . 1 1 166 166 VAL H H 166 8.723 8.723 8.243 0.480 25776 10950 1 14 . 1 1 167 167 TRP N N 167 123.258 123.258 121.574 1.684 25776 10951 1 14 . 1 1 167 167 TRP C C 167 174.016 174.016 174.479 -0.463 25776 10952 1 14 . 1 1 167 167 TRP CA C 167 57.604 57.604 54.035 3.569 25776 10953 1 14 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.625 4.034 25776 10954 1 14 . 1 1 167 167 TRP H H 167 9.312 9.312 7.872 1.440 25776 10955 1 14 . 1 1 168 168 TYR N N 168 121.455 121.455 125.537 -4.082 25776 10956 1 14 . 1 1 168 168 TYR C C 168 175.110 175.110 176.501 -1.391 25776 10957 1 14 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.682 -1.496 25776 10958 1 14 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.256 2.184 25776 10959 1 14 . 1 1 168 168 TYR H H 168 8.398 8.398 8.148 0.250 25776 10960 1 14 . 1 1 169 169 MET N N 169 124.800 124.800 124.293 0.507 25776 10961 1 14 . 1 1 169 169 MET C C 169 172.688 172.688 175.967 -3.279 25776 10962 1 14 . 1 1 169 169 MET CA C 169 55.640 55.640 55.914 -0.274 25776 10963 1 14 . 1 1 169 169 MET CB C 169 34.143 34.143 32.985 1.158 25776 10964 1 14 . 1 1 169 169 MET H H 169 8.131 8.131 7.704 0.427 25776 10965 1 14 . 1 1 170 170 ASP N N 170 122.780 122.780 118.927 3.853 25776 10966 1 14 . 1 1 170 170 ASP C C 170 174.864 174.864 175.274 -0.410 25776 10967 1 14 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.291 1.592 25776 10968 1 14 . 1 1 170 170 ASP CB C 170 41.678 41.678 41.311 0.367 25776 10969 1 14 . 1 1 170 170 ASP H H 170 8.191 8.191 8.308 -0.117 25776 10970 1 14 . 1 1 171 171 ILE N N 171 127.252 127.252 119.167 8.085 25776 10971 1 14 . 1 1 171 171 ILE C C 171 174.476 174.476 174.736 -0.260 25776 10972 1 14 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.118 0.825 25776 10973 1 14 . 1 1 171 171 ILE CB C 171 40.521 40.521 41.657 -1.136 25776 10974 1 14 . 1 1 171 171 ILE H H 171 7.805 7.805 8.404 -0.599 25776 10975 1 14 . 1 1 172 172 ASP N N 172 129.369 129.369 124.792 4.577 25776 10976 1 14 . 1 1 172 172 ASP C C 172 174.520 174.520 176.357 -1.837 25776 10977 1 14 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.480 0.321 25776 10978 1 14 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.772 1.317 25776 10979 1 14 . 1 1 172 172 ASP H H 172 8.541 8.541 8.354 0.187 25776 10980 1 14 . 1 1 173 173 THR N N 173 118.920 118.920 114.883 4.037 25776 10981 1 14 . 1 1 173 173 THR C C 173 172.170 172.170 174.370 -2.200 25776 10982 1 14 . 1 1 173 173 THR CA C 173 60.936 60.936 61.901 -0.965 25776 10983 1 14 . 1 1 173 173 THR CB C 173 70.002 70.002 69.807 0.195 25776 10984 1 14 . 1 1 173 173 THR H H 173 8.814 8.814 8.317 0.497 25776 10985 1 14 . 1 1 176 176 SER C C 176 174.672 174.672 173.241 1.431 25776 10986 1 14 . 1 1 176 176 SER CA C 176 58.834 58.834 58.938 -0.104 25776 10987 1 14 . 1 1 176 176 SER CB C 176 64.984 64.984 64.834 0.150 25776 10988 1 14 . 1 1 177 177 ILE N N 177 121.645 121.645 124.622 -2.977 25776 10989 1 14 . 1 1 177 177 ILE C C 177 174.945 174.945 174.193 0.752 25776 10990 1 14 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.916 0.430 25776 10991 1 14 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.752 1.387 25776 10992 1 14 . 1 1 177 177 ILE H H 177 7.993 7.993 8.402 -0.409 25776 10993 1 14 . 1 1 178 178 ASN N N 178 127.223 127.223 123.407 3.816 25776 10994 1 14 . 1 1 178 178 ASN C C 178 179.120 179.120 174.632 4.488 25776 10995 1 14 . 1 1 178 178 ASN CA C 178 55.663 55.663 52.993 2.670 25776 10996 1 14 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.279 3.640 25776 10997 1 14 . 1 1 178 178 ASN H H 178 7.882 7.882 8.399 -0.517 25776 10998 1 14 . 1 1 182 182 ALA N N 182 124.095 124.095 128.619 -4.524 25776 10999 1 14 . 1 1 182 182 ALA C C 182 177.680 177.680 177.148 0.532 25776 11000 1 14 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.744 2.472 25776 11001 1 14 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.466 0.303 25776 11002 1 14 . 1 1 182 182 ALA H H 182 8.100 8.100 8.229 -0.129 25776 11003 1 14 . 1 1 183 183 LEU N N 183 118.394 118.394 118.781 -0.387 25776 11004 1 14 . 1 1 183 183 LEU C C 183 177.352 177.352 176.086 1.266 25776 11005 1 14 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.082 0.745 25776 11006 1 14 . 1 1 183 183 LEU CB C 183 43.184 43.184 41.806 1.378 25776 11007 1 14 . 1 1 183 183 LEU H H 183 7.854 7.854 8.477 -0.623 25776 11008 1 14 . 1 1 184 184 GLY N N 184 107.897 107.897 107.310 0.587 25776 11009 1 14 . 1 1 184 184 GLY C C 184 174.288 174.288 173.869 0.419 25776 11010 1 14 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.956 1.720 25776 11011 1 14 . 1 1 184 184 GLY H H 184 7.883 7.883 8.149 -0.266 25776 11012 1 14 . 1 1 185 185 VAL N N 185 118.254 118.254 119.046 -0.792 25776 11013 1 14 . 1 1 185 185 VAL C C 185 175.475 175.475 174.873 0.602 25776 11014 1 14 . 1 1 185 185 VAL CA C 185 63.048 63.048 60.674 2.374 25776 11015 1 14 . 1 1 185 185 VAL CB C 185 33.471 33.471 34.264 -0.793 25776 11016 1 14 . 1 1 185 185 VAL H H 185 7.676 7.676 7.908 -0.232 25776 11017 1 14 . 1 1 186 186 ASN N N 186 121.756 121.756 119.976 1.780 25776 11018 1 14 . 1 1 186 186 ASN C C 186 174.724 174.724 173.997 0.727 25776 11019 1 14 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.053 1.540 25776 11020 1 14 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.547 0.351 25776 11021 1 14 . 1 1 186 186 ASN H H 186 8.331 8.331 8.509 -0.178 25776 11022 1 14 . 1 1 187 187 LYS N N 187 120.959 120.959 123.584 -2.625 25776 11023 1 14 . 1 1 187 187 LYS C C 187 174.652 174.652 176.542 -1.890 25776 11024 1 14 . 1 1 187 187 LYS CA C 187 57.198 57.198 55.559 1.639 25776 11025 1 14 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.104 -0.061 25776 11026 1 14 . 1 1 187 187 LYS H H 187 8.031 8.031 8.420 -0.389 25776 11027 1 14 . 1 1 189 189 LYS C C 189 176.088 176.088 175.322 0.766 25776 11028 1 14 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.795 0.646 25776 11029 1 14 . 1 1 190 190 VAL N N 190 121.122 121.122 120.188 0.934 25776 11030 1 14 . 1 1 190 190 VAL C C 190 175.545 175.545 175.173 0.372 25776 11031 1 14 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.334 1.787 25776 11032 1 14 . 1 1 190 190 VAL CB C 190 33.948 33.948 33.535 0.413 25776 11033 1 14 . 1 1 190 190 VAL H H 190 8.067 8.067 7.754 0.313 25776 11034 1 14 . 1 1 191 191 ASP N N 191 124.022 124.022 122.536 1.486 25776 11035 1 14 . 1 1 191 191 ASP C C 191 175.710 175.710 175.885 -0.175 25776 11036 1 14 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.678 1.591 25776 11037 1 14 . 1 1 191 191 ASP CB C 191 41.978 41.978 40.675 1.303 25776 11038 1 14 . 1 1 191 191 ASP H H 191 8.282 8.282 8.474 -0.192 25776 11039 1 14 . 1 1 192 192 VAL N N 192 118.928 118.928 118.635 0.293 25776 11040 1 14 . 1 1 192 192 VAL C C 192 175.433 175.433 175.369 0.064 25776 11041 1 14 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.008 -0.188 25776 11042 1 14 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.382 1.723 25776 11043 1 14 . 1 1 192 192 VAL H H 192 7.877 7.877 7.471 0.406 25776 11044 1 14 . 1 1 193 193 ASP N N 193 124.364 124.364 121.994 2.370 25776 11045 1 14 . 1 1 193 193 ASP C C 193 176.118 176.118 176.808 -0.690 25776 11046 1 14 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.547 -0.336 25776 11047 1 14 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.663 0.370 25776 11048 1 14 . 1 1 193 193 ASP H H 193 8.335 8.335 8.362 -0.027 25776 11049 1 14 . 1 1 198 198 VAL N N 198 126.400 126.400 116.972 9.428 25776 11050 1 14 . 1 1 198 198 VAL C C 198 174.600 174.600 174.152 0.448 25776 11051 1 14 . 1 1 198 198 VAL CA C 198 60.440 60.440 60.610 -0.170 25776 11052 1 14 . 1 1 198 198 VAL CB C 198 35.100 35.100 34.400 0.700 25776 11053 1 14 . 1 1 198 198 VAL H H 198 8.474 8.474 8.351 0.123 25776 11054 1 14 . 1 1 199 199 TYR N N 199 123.900 123.900 122.875 1.025 25776 11055 1 14 . 1 1 199 199 TYR C C 199 173.600 173.600 174.236 -0.636 25776 11056 1 14 . 1 1 199 199 TYR CA C 199 55.510 55.510 58.053 -2.543 25776 11057 1 14 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.292 -0.662 25776 11058 1 14 . 1 1 199 199 TYR H H 199 8.748 8.748 8.566 0.182 25776 11059 1 14 . 1 1 200 200 MET N N 200 123.700 123.700 127.439 -3.739 25776 11060 1 14 . 1 1 200 200 MET CA C 200 49.420 49.420 54.451 -5.031 25776 11061 1 14 . 1 1 200 200 MET H H 200 9.057 9.057 8.779 0.278 25776 11062 1 14 . 1 1 201 201 ILE C C 201 174.016 174.016 174.175 -0.159 25776 11063 1 14 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.594 0.880 25776 11064 1 14 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.422 2.013 25776 11065 1 14 . 1 1 202 202 GLY N N 202 113.215 113.215 113.458 -0.243 25776 11066 1 14 . 1 1 202 202 GLY C C 202 170.124 170.124 172.154 -2.030 25776 11067 1 14 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.452 4.108 25776 11068 1 14 . 1 1 202 202 GLY H H 202 8.646 8.646 8.794 -0.148 25776 11069 1 14 . 1 1 203 203 PHE N N 203 116.782 116.782 115.227 1.555 25776 11070 1 14 . 1 1 203 203 PHE C C 203 174.063 174.063 173.326 0.737 25776 11071 1 14 . 1 1 203 203 PHE CA C 203 56.451 56.451 55.271 1.180 25776 11072 1 14 . 1 1 203 203 PHE CB C 203 45.699 45.699 41.337 4.362 25776 11073 1 14 . 1 1 203 203 PHE H H 203 8.482 8.482 7.866 0.616 25776 11074 1 14 . 1 1 204 204 GLY N N 204 105.936 105.936 107.545 -1.609 25776 11075 1 14 . 1 1 204 204 GLY C C 204 171.097 171.097 171.746 -0.649 25776 11076 1 14 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.294 3.180 25776 11077 1 14 . 1 1 204 204 GLY H H 204 9.003 9.003 7.924 1.079 25776 11078 1 14 . 1 1 205 205 TYR N N 205 121.196 121.196 116.960 4.236 25776 11079 1 14 . 1 1 205 205 TYR C C 205 172.994 172.994 173.925 -0.931 25776 11080 1 14 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.867 0.819 25776 11081 1 14 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.060 2.130 25776 11082 1 14 . 1 1 205 205 TYR H H 205 9.413 9.413 8.440 0.973 25776 11083 1 14 . 1 1 206 206 LYS N N 206 126.788 126.788 121.027 5.761 25776 11084 1 14 . 1 1 206 206 LYS C C 206 174.161 174.161 175.393 -1.232 25776 11085 1 14 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.437 -0.007 25776 11086 1 14 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.765 0.660 25776 11087 1 14 . 1 1 206 206 LYS H H 206 8.364 8.364 8.582 -0.218 25776 11088 1 14 . 1 1 207 207 PHE N N 207 126.168 126.168 125.704 0.464 25776 11089 1 14 . 1 1 207 207 PHE C C 207 175.094 175.094 175.403 -0.309 25776 11090 1 14 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.745 -0.055 25776 11091 1 14 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.807 1.856 25776 11092 1 14 . 1 1 207 207 PHE H H 207 9.308 9.308 8.439 0.869 25776 11093 1 14 . 1 1 208 208 LEU N N 208 123.199 123.199 129.021 -5.822 25776 11094 1 14 . 1 1 208 208 LEU C C 208 176.580 176.580 176.331 0.249 25776 11095 1 14 . 1 1 208 208 LEU CA C 208 55.471 55.471 55.201 0.270 25776 11096 1 14 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.047 1.667 25776 11097 1 14 . 1 1 208 208 LEU H H 208 8.376 8.376 8.550 -0.174 25776 11098 1 14 . 1 1 209 209 GLU N N 209 121.960 121.960 123.751 -1.791 25776 11099 1 14 . 1 1 209 209 GLU C C 209 176.226 176.226 175.556 0.670 25776 11100 1 14 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.835 1.897 25776 11101 1 14 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.232 1.222 25776 11102 1 14 . 1 1 209 209 GLU H H 209 8.500 8.500 8.913 -0.413 25776 11103 1 15 . 1 1 2 2 HIS C C 2 175.393 175.393 174.085 1.308 25776 11104 1 15 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.598 -1.794 25776 11105 1 15 . 1 1 2 2 HIS CB C 2 30.780 30.780 28.673 2.107 25776 11106 1 15 . 1 1 3 3 LYS N N 3 121.908 121.908 124.157 -2.249 25776 11107 1 15 . 1 1 3 3 LYS C C 3 173.475 173.475 175.341 -1.866 25776 11108 1 15 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.493 0.534 25776 11109 1 15 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.647 -0.447 25776 11110 1 15 . 1 1 3 3 LYS H H 3 8.608 8.608 7.995 0.613 25776 11111 1 15 . 1 1 4 4 ALA N N 4 120.771 120.771 121.449 -0.678 25776 11112 1 15 . 1 1 4 4 ALA C C 4 178.118 178.118 178.273 -0.155 25776 11113 1 15 . 1 1 4 4 ALA CA C 4 53.439 53.439 53.032 0.407 25776 11114 1 15 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.509 -0.459 25776 11115 1 15 . 1 1 4 4 ALA H H 4 8.581 8.581 8.293 0.288 25776 11116 1 15 . 1 1 5 5 GLY N N 5 112.807 112.807 112.351 0.456 25776 11117 1 15 . 1 1 5 5 GLY C C 5 173.788 173.788 174.312 -0.524 25776 11118 1 15 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.648 0.172 25776 11119 1 15 . 1 1 5 5 GLY H H 5 9.170 9.170 8.677 0.493 25776 11120 1 15 . 1 1 6 6 ASP N N 6 121.504 121.504 121.099 0.405 25776 11121 1 15 . 1 1 6 6 ASP C C 6 174.307 174.307 174.938 -0.631 25776 11122 1 15 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.485 0.333 25776 11123 1 15 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.611 -0.035 25776 11124 1 15 . 1 1 6 6 ASP H H 6 7.619 7.619 7.602 0.017 25776 11125 1 15 . 1 1 7 7 PHE N N 7 121.212 121.212 123.310 -2.098 25776 11126 1 15 . 1 1 7 7 PHE C C 7 174.030 174.030 174.067 -0.037 25776 11127 1 15 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.839 -1.238 25776 11128 1 15 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.543 3.533 25776 11129 1 15 . 1 1 7 7 PHE H H 7 8.285 8.285 8.516 -0.231 25776 11130 1 15 . 1 1 8 8 ILE N N 8 128.185 128.185 126.979 1.206 25776 11131 1 15 . 1 1 8 8 ILE C C 8 173.961 173.961 173.403 0.558 25776 11132 1 15 . 1 1 8 8 ILE CA C 8 61.723 61.723 58.992 2.731 25776 11133 1 15 . 1 1 8 8 ILE CB C 8 43.669 43.669 42.412 1.257 25776 11134 1 15 . 1 1 8 8 ILE H H 8 9.245 9.245 8.131 1.114 25776 11135 1 15 . 1 1 9 9 ILE N N 9 125.624 125.624 122.424 3.200 25776 11136 1 15 . 1 1 9 9 ILE C C 9 173.731 173.731 173.954 -0.223 25776 11137 1 15 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.640 0.650 25776 11138 1 15 . 1 1 9 9 ILE CB C 9 42.091 42.091 40.998 1.093 25776 11139 1 15 . 1 1 9 9 ILE H H 9 8.628 8.628 8.855 -0.227 25776 11140 1 15 . 1 1 10 10 ARG N N 10 125.025 125.025 120.017 5.008 25776 11141 1 15 . 1 1 10 10 ARG C C 10 175.074 175.074 175.344 -0.270 25776 11142 1 15 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.389 0.105 25776 11143 1 15 . 1 1 10 10 ARG CB C 10 32.772 32.772 35.630 -2.858 25776 11144 1 15 . 1 1 10 10 ARG H H 10 9.225 9.225 9.078 0.147 25776 11145 1 15 . 1 1 11 11 GLY N N 11 106.141 106.141 106.945 -0.804 25776 11146 1 15 . 1 1 11 11 GLY C C 11 171.959 171.959 172.659 -0.700 25776 11147 1 15 . 1 1 11 11 GLY CA C 11 45.207 45.207 43.652 1.555 25776 11148 1 15 . 1 1 11 11 GLY H H 11 8.885 8.885 8.934 -0.049 25776 11149 1 15 . 1 1 12 12 GLY N N 12 107.818 107.818 105.563 2.255 25776 11150 1 15 . 1 1 12 12 GLY C C 12 171.465 171.465 172.377 -0.912 25776 11151 1 15 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.110 2.203 25776 11152 1 15 . 1 1 12 12 GLY H H 12 8.433 8.433 7.759 0.674 25776 11153 1 15 . 1 1 13 13 PHE N N 13 120.233 120.233 119.148 1.085 25776 11154 1 15 . 1 1 13 13 PHE C C 13 174.056 174.056 173.977 0.079 25776 11155 1 15 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.081 0.070 25776 11156 1 15 . 1 1 13 13 PHE CB C 13 41.625 41.625 43.683 -2.058 25776 11157 1 15 . 1 1 13 13 PHE H H 13 8.606 8.606 8.043 0.563 25776 11158 1 15 . 1 1 18 18 PRO C C 18 176.552 176.552 175.552 1.000 25776 11159 1 15 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.380 0.711 25776 11160 1 15 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.925 0.724 25776 11161 1 15 . 1 1 19 19 ASP N N 19 121.094 121.094 120.915 0.179 25776 11162 1 15 . 1 1 19 19 ASP C C 19 176.047 176.047 176.812 -0.765 25776 11163 1 15 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.248 0.026 25776 11164 1 15 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.620 0.423 25776 11165 1 15 . 1 1 19 19 ASP H H 19 8.372 8.372 8.467 -0.095 25776 11166 1 15 . 1 1 20 20 ASP N N 20 123.179 123.179 118.848 4.331 25776 11167 1 15 . 1 1 20 20 ASP C C 20 176.790 176.790 176.861 -0.071 25776 11168 1 15 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.447 -0.352 25776 11169 1 15 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.755 1.079 25776 11170 1 15 . 1 1 20 20 ASP H H 20 8.357 8.357 8.113 0.244 25776 11171 1 15 . 1 1 21 21 SER N N 21 117.319 117.319 114.903 2.416 25776 11172 1 15 . 1 1 21 21 SER C C 21 175.218 175.218 173.407 1.811 25776 11173 1 15 . 1 1 21 21 SER CA C 21 60.134 60.134 57.929 2.205 25776 11174 1 15 . 1 1 21 21 SER CB C 21 64.701 64.701 63.519 1.182 25776 11175 1 15 . 1 1 21 21 SER H H 21 8.398 8.398 7.946 0.452 25776 11176 1 15 . 1 1 22 22 SER N N 22 117.994 117.994 120.168 -2.174 25776 11177 1 15 . 1 1 22 22 SER C C 22 174.877 174.877 172.707 2.170 25776 11178 1 15 . 1 1 22 22 SER CA C 22 59.839 59.839 57.637 2.202 25776 11179 1 15 . 1 1 22 22 SER CB C 22 64.669 64.669 65.387 -0.718 25776 11180 1 15 . 1 1 22 22 SER H H 22 8.314 8.314 8.376 -0.062 25776 11181 1 15 . 1 1 23 23 SER N N 23 117.809 117.809 117.562 0.247 25776 11182 1 15 . 1 1 23 23 SER C C 23 174.298 174.298 173.807 0.491 25776 11183 1 15 . 1 1 23 23 SER CA C 23 59.629 59.629 57.673 1.956 25776 11184 1 15 . 1 1 23 23 SER CB C 23 64.802 64.802 64.567 0.235 25776 11185 1 15 . 1 1 23 23 SER H H 23 8.143 8.143 8.462 -0.319 25776 11186 1 15 . 1 1 24 24 ASP N N 24 122.829 122.829 120.651 2.178 25776 11187 1 15 . 1 1 24 24 ASP C C 24 176.250 176.250 176.287 -0.037 25776 11188 1 15 . 1 1 24 24 ASP CA C 24 55.493 55.493 55.317 0.176 25776 11189 1 15 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.325 0.516 25776 11190 1 15 . 1 1 24 24 ASP H H 24 8.234 8.234 8.481 -0.247 25776 11191 1 15 . 1 1 25 25 ILE N N 25 120.717 120.717 114.666 6.051 25776 11192 1 15 . 1 1 25 25 ILE C C 25 176.204 176.204 174.881 1.323 25776 11193 1 15 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.843 0.713 25776 11194 1 15 . 1 1 25 25 ILE CB C 25 39.668 39.668 36.321 3.347 25776 11195 1 15 . 1 1 25 25 ILE H H 25 7.884 7.884 8.276 -0.392 25776 11196 1 15 . 1 1 26 26 LYS N N 26 124.527 124.527 122.168 2.359 25776 11197 1 15 . 1 1 26 26 LYS C C 26 176.616 176.616 176.952 -0.336 25776 11198 1 15 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.536 0.656 25776 11199 1 15 . 1 1 26 26 LYS CB C 26 33.809 33.809 32.093 1.716 25776 11200 1 15 . 1 1 26 26 LYS H H 26 8.164 8.164 8.042 0.122 25776 11201 1 15 . 1 1 27 27 LEU N N 27 123.292 123.292 124.768 -1.476 25776 11202 1 15 . 1 1 27 27 LEU C C 27 177.077 177.077 174.957 2.120 25776 11203 1 15 . 1 1 27 27 LEU CA C 27 56.173 56.173 56.108 0.065 25776 11204 1 15 . 1 1 27 27 LEU CB C 27 43.317 43.317 41.199 2.118 25776 11205 1 15 . 1 1 27 27 LEU H H 27 8.100 8.100 8.960 -0.860 25776 11206 1 15 . 1 1 28 28 ASP N N 28 121.059 121.059 121.535 -0.476 25776 11207 1 15 . 1 1 28 28 ASP C C 28 176.929 176.929 176.144 0.785 25776 11208 1 15 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.596 0.752 25776 11209 1 15 . 1 1 28 28 ASP CB C 28 42.075 42.075 43.264 -1.189 25776 11210 1 15 . 1 1 28 28 ASP H H 28 8.209 8.209 8.393 -0.184 25776 11211 1 15 . 1 1 29 29 GLY N N 29 110.032 110.032 110.724 -0.692 25776 11212 1 15 . 1 1 29 29 GLY C C 29 174.364 174.364 174.463 -0.099 25776 11213 1 15 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.076 1.802 25776 11214 1 15 . 1 1 29 29 GLY H H 29 8.274 8.274 8.146 0.128 25776 11215 1 15 . 1 1 30 30 ALA N N 30 124.102 124.102 123.786 0.316 25776 11216 1 15 . 1 1 30 30 ALA C C 30 178.005 178.005 178.056 -0.051 25776 11217 1 15 . 1 1 30 30 ALA CA C 30 53.824 53.824 53.112 0.712 25776 11218 1 15 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.378 0.749 25776 11219 1 15 . 1 1 30 30 ALA H H 30 8.085 8.085 8.006 0.079 25776 11220 1 15 . 1 1 31 31 LYS N N 31 119.810 119.810 120.591 -0.781 25776 11221 1 15 . 1 1 31 31 LYS C C 31 176.650 176.650 175.605 1.045 25776 11222 1 15 . 1 1 31 31 LYS CA C 31 57.472 57.472 55.534 1.938 25776 11223 1 15 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.374 0.574 25776 11224 1 15 . 1 1 31 31 LYS H H 31 8.075 8.075 8.127 -0.052 25776 11225 1 15 . 1 1 32 32 GLN N N 32 121.045 121.045 120.776 0.269 25776 11226 1 15 . 1 1 32 32 GLN C C 32 175.862 175.862 176.735 -0.873 25776 11227 1 15 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.155 1.784 25776 11228 1 15 . 1 1 32 32 GLN CB C 32 30.194 30.194 30.685 -0.491 25776 11229 1 15 . 1 1 32 32 GLN H H 32 8.182 8.182 8.633 -0.451 25776 11230 1 15 . 1 1 33 33 ARG N N 33 122.683 122.683 119.036 3.647 25776 11231 1 15 . 1 1 33 33 ARG C C 33 176.492 176.492 174.581 1.911 25776 11232 1 15 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.525 0.557 25776 11233 1 15 . 1 1 33 33 ARG CB C 33 31.952 31.952 29.098 2.854 25776 11234 1 15 . 1 1 33 33 ARG H H 33 8.288 8.288 8.877 -0.589 25776 11235 1 15 . 1 1 36 36 LYS C C 36 176.028 176.028 175.066 0.962 25776 11236 1 15 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.078 1.145 25776 11237 1 15 . 1 1 36 36 LYS CB C 36 34.262 34.262 31.780 2.482 25776 11238 1 15 . 1 1 37 37 ALA N N 37 125.793 125.793 126.495 -0.702 25776 11239 1 15 . 1 1 37 37 ALA C C 37 177.567 177.567 177.575 -0.008 25776 11240 1 15 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.280 1.288 25776 11241 1 15 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.008 1.400 25776 11242 1 15 . 1 1 37 37 ALA H H 37 8.329 8.329 8.369 -0.040 25776 11243 1 15 . 1 1 38 38 THR N N 38 113.398 113.398 115.753 -2.355 25776 11244 1 15 . 1 1 38 38 THR C C 38 174.556 174.556 174.863 -0.307 25776 11245 1 15 . 1 1 38 38 THR CA C 38 62.551 62.551 61.787 0.764 25776 11246 1 15 . 1 1 38 38 THR CB C 38 71.054 71.054 69.775 1.279 25776 11247 1 15 . 1 1 38 38 THR H H 38 8.007 8.007 8.493 -0.486 25776 11248 1 15 . 1 1 39 39 VAL N N 39 120.865 120.865 117.149 3.716 25776 11249 1 15 . 1 1 39 39 VAL C C 39 175.523 175.523 175.496 0.027 25776 11250 1 15 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.192 0.908 25776 11251 1 15 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.126 1.918 25776 11252 1 15 . 1 1 39 39 VAL H H 39 8.043 8.043 7.719 0.324 25776 11253 1 15 . 1 1 40 40 ASP N N 40 124.053 124.053 123.048 1.005 25776 11254 1 15 . 1 1 40 40 ASP C C 40 176.132 176.132 176.427 -0.295 25776 11255 1 15 . 1 1 40 40 ASP CA C 40 55.281 55.281 55.326 -0.045 25776 11256 1 15 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.407 0.812 25776 11257 1 15 . 1 1 40 40 ASP H H 40 8.333 8.333 8.162 0.171 25776 11258 1 15 . 1 1 41 41 SER N N 41 115.655 115.655 115.451 0.204 25776 11259 1 15 . 1 1 41 41 SER C C 41 174.147 174.147 173.585 0.562 25776 11260 1 15 . 1 1 41 41 SER CA C 41 59.367 59.367 58.172 1.195 25776 11261 1 15 . 1 1 41 41 SER CB C 41 65.027 65.027 63.471 1.556 25776 11262 1 15 . 1 1 41 41 SER H H 41 8.142 8.142 8.452 -0.310 25776 11263 1 15 . 1 1 42 42 ASP N N 42 123.005 123.005 121.176 1.829 25776 11264 1 15 . 1 1 42 42 ASP C C 42 176.578 176.578 176.288 0.290 25776 11265 1 15 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.015 1.424 25776 11266 1 15 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.641 0.763 25776 11267 1 15 . 1 1 42 42 ASP H H 42 8.433 8.433 7.717 0.716 25776 11268 1 15 . 1 1 43 43 THR C C 43 176.244 176.244 175.397 0.847 25776 11269 1 15 . 1 1 43 43 THR CA C 43 62.772 62.772 64.098 -1.326 25776 11270 1 15 . 1 1 43 43 THR CB C 43 71.018 71.018 69.119 1.899 25776 11271 1 15 . 1 1 44 44 GLN N N 44 123.824 123.824 119.733 4.091 25776 11272 1 15 . 1 1 44 44 GLN C C 44 177.061 177.061 175.746 1.315 25776 11273 1 15 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.554 1.725 25776 11274 1 15 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.082 3.580 25776 11275 1 15 . 1 1 44 44 GLN H H 44 8.270 8.270 8.091 0.179 25776 11276 1 15 . 1 1 45 45 LEU N N 45 122.159 122.159 118.928 3.231 25776 11277 1 15 . 1 1 45 45 LEU C C 45 176.419 176.419 176.668 -0.249 25776 11278 1 15 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.990 2.128 25776 11279 1 15 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.546 0.075 25776 11280 1 15 . 1 1 45 45 LEU H H 45 7.940 7.940 7.878 0.062 25776 11281 1 15 . 1 1 46 46 GLY N N 46 107.861 107.861 104.923 2.938 25776 11282 1 15 . 1 1 46 46 GLY C C 46 171.538 171.538 173.419 -1.881 25776 11283 1 15 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.292 0.483 25776 11284 1 15 . 1 1 46 46 GLY H H 46 8.566 8.566 7.676 0.890 25776 11285 1 15 . 1 1 47 47 LEU N N 47 122.959 122.959 122.513 0.446 25776 11286 1 15 . 1 1 47 47 LEU C C 47 175.422 175.422 175.273 0.149 25776 11287 1 15 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.070 0.261 25776 11288 1 15 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.871 2.472 25776 11289 1 15 . 1 1 47 47 LEU H H 47 8.457 8.457 8.319 0.138 25776 11290 1 15 . 1 1 48 48 THR N N 48 112.144 112.144 114.080 -1.936 25776 11291 1 15 . 1 1 48 48 THR C C 48 172.347 172.347 173.315 -0.968 25776 11292 1 15 . 1 1 48 48 THR CA C 48 59.573 59.573 60.273 -0.700 25776 11293 1 15 . 1 1 48 48 THR CB C 48 72.843 72.843 71.554 1.289 25776 11294 1 15 . 1 1 48 48 THR H H 48 8.814 8.814 8.873 -0.059 25776 11295 1 15 . 1 1 49 49 PHE N N 49 118.787 118.787 124.331 -5.544 25776 11296 1 15 . 1 1 49 49 PHE C C 49 174.623 174.623 174.555 0.068 25776 11297 1 15 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.762 -2.025 25776 11298 1 15 . 1 1 49 49 PHE CB C 49 42.986 42.986 41.560 1.426 25776 11299 1 15 . 1 1 49 49 PHE H H 49 8.455 8.455 8.304 0.151 25776 11300 1 15 . 1 1 50 50 THR N N 50 121.279 121.279 113.188 8.091 25776 11301 1 15 . 1 1 50 50 THR C C 50 173.272 173.272 172.786 0.486 25776 11302 1 15 . 1 1 50 50 THR CA C 50 63.315 63.315 59.982 3.333 25776 11303 1 15 . 1 1 50 50 THR CB C 50 74.327 74.327 71.167 3.160 25776 11304 1 15 . 1 1 50 50 THR H H 50 9.372 9.372 8.554 0.818 25776 11305 1 15 . 1 1 51 51 TYR N N 51 126.005 126.005 122.959 3.046 25776 11306 1 15 . 1 1 51 51 TYR C C 51 174.837 174.837 175.677 -0.840 25776 11307 1 15 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.195 0.665 25776 11308 1 15 . 1 1 51 51 TYR CB C 51 42.447 42.447 38.963 3.484 25776 11309 1 15 . 1 1 51 51 TYR H H 51 9.157 9.157 8.018 1.139 25776 11310 1 15 . 1 1 52 52 MET N N 52 127.601 127.601 122.568 5.033 25776 11311 1 15 . 1 1 52 52 MET C C 52 174.466 174.466 175.403 -0.937 25776 11312 1 15 . 1 1 52 52 MET CA C 52 53.171 53.171 57.388 -4.217 25776 11313 1 15 . 1 1 52 52 MET CB C 52 29.467 29.467 33.101 -3.634 25776 11314 1 15 . 1 1 52 52 MET H H 52 7.998 7.998 8.250 -0.252 25776 11315 1 15 . 1 1 53 53 PHE N N 53 123.918 123.918 123.706 0.212 25776 11316 1 15 . 1 1 53 53 PHE C C 53 173.685 173.685 175.583 -1.898 25776 11317 1 15 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.506 1.108 25776 11318 1 15 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.374 -2.263 25776 11319 1 15 . 1 1 53 53 PHE H H 53 7.762 7.762 9.120 -1.358 25776 11320 1 15 . 1 1 54 54 ALA N N 54 125.892 125.892 123.046 2.846 25776 11321 1 15 . 1 1 54 54 ALA C C 54 174.976 174.976 178.196 -3.220 25776 11322 1 15 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.389 -1.946 25776 11323 1 15 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.514 4.021 25776 11324 1 15 . 1 1 54 54 ALA H H 54 8.396 8.396 8.847 -0.451 25776 11325 1 15 . 1 1 55 55 ASP N N 55 118.951 118.951 119.588 -0.637 25776 11326 1 15 . 1 1 55 55 ASP C C 55 174.777 174.777 175.867 -1.090 25776 11327 1 15 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.989 2.150 25776 11328 1 15 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.674 0.274 25776 11329 1 15 . 1 1 55 55 ASP H H 55 8.632 8.632 9.040 -0.408 25776 11330 1 15 . 1 1 56 56 LYS N N 56 106.363 106.363 114.107 -7.744 25776 11331 1 15 . 1 1 56 56 LYS C C 56 174.930 174.930 174.988 -0.058 25776 11332 1 15 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.479 -0.609 25776 11333 1 15 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.257 4.180 25776 11334 1 15 . 1 1 56 56 LYS H H 56 7.300 7.300 8.405 -1.105 25776 11335 1 15 . 1 1 57 57 TRP N N 57 115.784 115.784 122.253 -6.469 25776 11336 1 15 . 1 1 57 57 TRP C C 57 173.960 173.960 176.175 -2.215 25776 11337 1 15 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.665 -0.708 25776 11338 1 15 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.577 2.599 25776 11339 1 15 . 1 1 57 57 TRP H H 57 6.612 6.612 8.021 -1.409 25776 11340 1 15 . 1 1 58 58 GLY N N 58 107.657 107.657 106.093 1.564 25776 11341 1 15 . 1 1 58 58 GLY C C 58 172.720 172.720 172.399 0.321 25776 11342 1 15 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.732 0.052 25776 11343 1 15 . 1 1 58 58 GLY H H 58 9.271 9.271 8.782 0.489 25776 11344 1 15 . 1 1 59 59 VAL N N 59 118.434 118.434 123.356 -4.922 25776 11345 1 15 . 1 1 59 59 VAL C C 59 172.973 172.973 174.473 -1.500 25776 11346 1 15 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.844 -1.206 25776 11347 1 15 . 1 1 59 59 VAL CB C 59 36.036 36.036 33.185 2.851 25776 11348 1 15 . 1 1 59 59 VAL H H 59 9.080 9.080 8.253 0.827 25776 11349 1 15 . 1 1 60 60 GLU N N 60 127.915 127.915 128.811 -0.896 25776 11350 1 15 . 1 1 60 60 GLU C C 60 174.464 174.464 174.605 -0.141 25776 11351 1 15 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.264 -0.513 25776 11352 1 15 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.628 2.414 25776 11353 1 15 . 1 1 60 60 GLU H H 60 9.431 9.431 9.273 0.158 25776 11354 1 15 . 1 1 61 61 LEU N N 61 127.764 127.764 125.419 2.345 25776 11355 1 15 . 1 1 61 61 LEU C C 61 174.746 174.746 174.485 0.261 25776 11356 1 15 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.528 -0.537 25776 11357 1 15 . 1 1 61 61 LEU CB C 61 46.880 46.880 46.334 0.546 25776 11358 1 15 . 1 1 61 61 LEU H H 61 8.730 8.730 8.135 0.595 25776 11359 1 15 . 1 1 62 62 VAL N N 62 126.465 126.465 125.904 0.561 25776 11360 1 15 . 1 1 62 62 VAL C C 62 174.453 174.453 175.004 -0.551 25776 11361 1 15 . 1 1 62 62 VAL CA C 62 62.285 62.285 62.435 -0.150 25776 11362 1 15 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.692 2.394 25776 11363 1 15 . 1 1 62 62 VAL H H 62 9.068 9.068 8.300 0.768 25776 11364 1 15 . 1 1 63 63 ALA N N 63 130.444 130.444 128.675 1.769 25776 11365 1 15 . 1 1 63 63 ALA C C 63 174.030 174.030 174.851 -0.821 25776 11366 1 15 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.833 -0.583 25776 11367 1 15 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.897 1.606 25776 11368 1 15 . 1 1 63 63 ALA H H 63 9.124 9.124 8.622 0.502 25776 11369 1 15 . 1 1 64 64 ALA N N 64 121.285 121.285 121.748 -0.463 25776 11370 1 15 . 1 1 64 64 ALA C C 64 176.843 176.843 176.040 0.803 25776 11371 1 15 . 1 1 64 64 ALA CA C 64 52.170 52.170 52.493 -0.323 25776 11372 1 15 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.871 2.301 25776 11373 1 15 . 1 1 64 64 ALA H H 64 7.995 7.995 8.341 -0.346 25776 11374 1 15 . 1 1 65 65 THR N N 65 109.734 109.734 118.598 -8.864 25776 11375 1 15 . 1 1 65 65 THR C C 65 176.739 176.739 172.974 3.765 25776 11376 1 15 . 1 1 65 65 THR CA C 65 61.660 61.660 59.627 2.034 25776 11377 1 15 . 1 1 65 65 THR CB C 65 68.341 68.341 70.034 -1.693 25776 11378 1 15 . 1 1 65 65 THR H H 65 8.108 8.108 8.421 -0.313 25776 11379 1 15 . 1 1 67 67 PHE N N 67 123.676 123.676 116.747 6.929 25776 11380 1 15 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.135 -0.286 25776 11381 1 15 . 1 1 67 67 PHE H H 67 8.382 8.382 7.978 0.404 25776 11382 1 15 . 1 1 74 74 LYS C C 74 177.704 177.704 177.249 0.455 25776 11383 1 15 . 1 1 74 74 LYS CA C 74 56.028 56.028 58.045 -2.017 25776 11384 1 15 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.492 1.569 25776 11385 1 15 . 1 1 75 75 GLY N N 75 108.841 108.841 106.123 2.718 25776 11386 1 15 . 1 1 75 75 GLY C C 75 174.405 174.405 172.570 1.835 25776 11387 1 15 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.471 2.241 25776 11388 1 15 . 1 1 75 75 GLY H H 75 8.069 8.069 8.006 0.063 25776 11389 1 15 . 1 1 76 76 LEU N N 76 120.093 120.093 120.581 -0.488 25776 11390 1 15 . 1 1 76 76 LEU C C 76 176.997 176.997 176.247 0.750 25776 11391 1 15 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.203 1.977 25776 11392 1 15 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.715 2.282 25776 11393 1 15 . 1 1 76 76 LEU H H 76 7.623 7.623 8.070 -0.447 25776 11394 1 15 . 1 1 79 79 GLY C C 79 175.675 175.675 174.013 1.662 25776 11395 1 15 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.294 2.805 25776 11396 1 15 . 1 1 80 80 LEU N N 80 130.062 130.062 122.169 7.893 25776 11397 1 15 . 1 1 80 80 LEU C C 80 176.062 176.062 177.020 -0.958 25776 11398 1 15 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.574 -0.170 25776 11399 1 15 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.750 0.256 25776 11400 1 15 . 1 1 80 80 LEU H H 80 9.441 9.441 8.243 1.198 25776 11401 1 15 . 1 1 81 81 ASP N N 81 124.816 124.816 119.927 4.889 25776 11402 1 15 . 1 1 81 81 ASP C C 81 178.992 178.992 176.218 2.774 25776 11403 1 15 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.906 0.863 25776 11404 1 15 . 1 1 81 81 ASP CB C 81 41.947 41.947 40.271 1.676 25776 11405 1 15 . 1 1 81 81 ASP H H 81 7.854 7.854 8.296 -0.442 25776 11406 1 15 . 1 1 91 91 PRO C C 91 175.297 175.297 175.979 -0.682 25776 11407 1 15 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.078 -1.244 25776 11408 1 15 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.180 1.351 25776 11409 1 15 . 1 1 92 92 ALA N N 92 123.521 123.521 127.396 -3.875 25776 11410 1 15 . 1 1 92 92 ALA C C 92 175.643 175.643 175.658 -0.015 25776 11411 1 15 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.772 0.903 25776 11412 1 15 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.452 0.273 25776 11413 1 15 . 1 1 92 92 ALA H H 92 8.829 8.829 8.376 0.453 25776 11414 1 15 . 1 1 93 93 THR N N 93 117.599 117.599 118.768 -1.169 25776 11415 1 15 . 1 1 93 93 THR C C 93 171.440 171.440 173.734 -2.294 25776 11416 1 15 . 1 1 93 93 THR CA C 93 62.066 62.066 61.845 0.221 25776 11417 1 15 . 1 1 93 93 THR CB C 93 72.352 72.352 70.269 2.083 25776 11418 1 15 . 1 1 93 93 THR H H 93 8.237 8.237 8.195 0.042 25776 11419 1 15 . 1 1 94 94 LEU N N 94 129.530 129.530 128.348 1.182 25776 11420 1 15 . 1 1 94 94 LEU C C 94 174.995 174.995 174.715 0.280 25776 11421 1 15 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.672 0.522 25776 11422 1 15 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.779 1.386 25776 11423 1 15 . 1 1 94 94 LEU H H 94 8.732 8.732 8.464 0.268 25776 11424 1 15 . 1 1 95 95 LEU N N 95 124.181 124.181 124.272 -0.091 25776 11425 1 15 . 1 1 95 95 LEU C C 95 175.270 175.270 174.393 0.877 25776 11426 1 15 . 1 1 95 95 LEU CA C 95 55.533 55.533 55.244 0.289 25776 11427 1 15 . 1 1 95 95 LEU CB C 95 46.672 46.672 47.316 -0.645 25776 11428 1 15 . 1 1 95 95 LEU H H 95 9.485 9.485 8.673 0.812 25776 11429 1 15 . 1 1 96 96 LEU N N 96 123.444 123.444 123.890 -0.446 25776 11430 1 15 . 1 1 96 96 LEU C C 96 174.997 174.997 175.464 -0.467 25776 11431 1 15 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.957 1.356 25776 11432 1 15 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.109 2.039 25776 11433 1 15 . 1 1 96 96 LEU H H 96 8.836 8.836 9.054 -0.218 25776 11434 1 15 . 1 1 97 97 GLN N N 97 121.545 121.545 125.447 -3.902 25776 11435 1 15 . 1 1 97 97 GLN C C 97 174.324 174.324 175.136 -0.812 25776 11436 1 15 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.152 1.236 25776 11437 1 15 . 1 1 97 97 GLN CB C 97 37.524 37.524 30.434 7.090 25776 11438 1 15 . 1 1 97 97 GLN H H 97 9.566 9.566 8.685 0.881 25776 11439 1 15 . 1 1 98 98 TYR N N 98 122.246 122.246 121.952 0.294 25776 11440 1 15 . 1 1 98 98 TYR C C 98 173.409 173.409 174.252 -0.843 25776 11441 1 15 . 1 1 98 98 TYR CA C 98 55.655 55.655 54.656 0.999 25776 11442 1 15 . 1 1 98 98 TYR CB C 98 43.208 43.208 40.386 2.822 25776 11443 1 15 . 1 1 98 98 TYR H H 98 9.053 9.053 8.403 0.650 25776 11444 1 15 . 1 1 99 99 TYR N N 99 126.872 126.872 121.264 5.608 25776 11445 1 15 . 1 1 99 99 TYR C C 99 175.310 175.310 174.504 0.806 25776 11446 1 15 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.545 -0.789 25776 11447 1 15 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.112 1.522 25776 11448 1 15 . 1 1 99 99 TYR H H 99 8.344 8.344 9.261 -0.917 25776 11449 1 15 . 1 1 100 100 PRO C C 100 178.304 178.304 176.858 1.446 25776 11450 1 15 . 1 1 100 100 PRO CA C 100 65.410 65.410 65.255 0.155 25776 11451 1 15 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.225 0.882 25776 11452 1 15 . 1 1 101 101 MET N N 101 114.703 114.703 114.918 -0.215 25776 11453 1 15 . 1 1 101 101 MET C C 101 178.218 178.218 176.849 1.369 25776 11454 1 15 . 1 1 101 101 MET CA C 101 54.147 54.147 54.994 -0.847 25776 11455 1 15 . 1 1 101 101 MET CB C 101 30.956 30.956 34.548 -3.592 25776 11456 1 15 . 1 1 101 101 MET H H 101 9.432 9.432 8.098 1.334 25776 11457 1 15 . 1 1 102 102 GLY N N 102 117.671 117.671 108.005 9.666 25776 11458 1 15 . 1 1 102 102 GLY C C 102 175.611 175.611 174.325 1.286 25776 11459 1 15 . 1 1 102 102 GLY CA C 102 47.452 47.452 46.131 1.321 25776 11460 1 15 . 1 1 102 102 GLY H H 102 8.671 8.671 7.798 0.873 25776 11461 1 15 . 1 1 103 103 GLY N N 103 111.298 111.298 114.291 -2.993 25776 11462 1 15 . 1 1 103 103 GLY C C 103 174.054 174.054 173.430 0.624 25776 11463 1 15 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.059 1.761 25776 11464 1 15 . 1 1 103 103 GLY H H 103 9.436 9.436 8.695 0.741 25776 11465 1 15 . 1 1 104 104 THR N N 104 109.330 109.330 112.601 -3.271 25776 11466 1 15 . 1 1 104 104 THR C C 104 174.248 174.248 173.838 0.410 25776 11467 1 15 . 1 1 104 104 THR CA C 104 61.454 61.454 60.580 0.874 25776 11468 1 15 . 1 1 104 104 THR CB C 104 72.711 72.711 70.043 2.668 25776 11469 1 15 . 1 1 104 104 THR H H 104 7.321 7.321 7.716 -0.395 25776 11470 1 15 . 1 1 105 105 ASN C C 105 175.032 175.032 174.586 0.446 25776 11471 1 15 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.149 0.264 25776 11472 1 15 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.148 0.695 25776 11473 1 15 . 1 1 106 106 SER N N 106 113.116 113.116 115.598 -2.482 25776 11474 1 15 . 1 1 106 106 SER C C 106 175.961 175.961 174.925 1.036 25776 11475 1 15 . 1 1 106 106 SER CA C 106 59.289 59.289 58.095 1.194 25776 11476 1 15 . 1 1 106 106 SER CB C 106 65.208 65.208 64.189 1.019 25776 11477 1 15 . 1 1 106 106 SER H H 106 7.487 7.487 7.289 0.198 25776 11478 1 15 . 1 1 107 107 ALA N N 107 132.317 132.317 126.224 6.093 25776 11479 1 15 . 1 1 107 107 ALA C C 107 176.554 176.554 177.454 -0.900 25776 11480 1 15 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.826 1.173 25776 11481 1 15 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.189 0.341 25776 11482 1 15 . 1 1 107 107 ALA H H 107 8.891 8.891 8.487 0.404 25776 11483 1 15 . 1 1 108 108 PHE N N 108 116.265 116.265 114.040 2.225 25776 11484 1 15 . 1 1 108 108 PHE C C 108 174.254 174.254 174.016 0.238 25776 11485 1 15 . 1 1 108 108 PHE CA C 108 56.664 56.664 54.995 1.669 25776 11486 1 15 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.134 1.101 25776 11487 1 15 . 1 1 108 108 PHE H H 108 7.592 7.592 7.574 0.018 25776 11488 1 15 . 1 1 109 109 GLN N N 109 128.401 128.401 122.929 5.472 25776 11489 1 15 . 1 1 109 109 GLN C C 109 172.298 172.298 174.417 -2.119 25776 11490 1 15 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.088 -0.151 25776 11491 1 15 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.490 -0.510 25776 11492 1 15 . 1 1 109 109 GLN H H 109 9.095 9.095 8.496 0.599 25776 11493 1 15 . 1 1 110 110 PRO C C 110 175.005 175.005 175.793 -0.788 25776 11494 1 15 . 1 1 110 110 PRO CA C 110 62.224 62.224 63.000 -0.776 25776 11495 1 15 . 1 1 110 110 PRO CB C 110 34.129 34.129 31.872 2.257 25776 11496 1 15 . 1 1 111 111 TYR N N 111 115.731 115.731 119.758 -4.027 25776 11497 1 15 . 1 1 111 111 TYR C C 111 173.783 173.783 173.405 0.378 25776 11498 1 15 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.267 1.805 25776 11499 1 15 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.918 -1.483 25776 11500 1 15 . 1 1 111 111 TYR H H 111 8.510 8.510 8.736 -0.226 25776 11501 1 15 . 1 1 112 112 GLY N N 112 103.737 103.737 106.218 -2.481 25776 11502 1 15 . 1 1 112 112 GLY C C 112 172.014 172.014 171.935 0.079 25776 11503 1 15 . 1 1 112 112 GLY CA C 112 44.644 44.644 42.616 2.028 25776 11504 1 15 . 1 1 112 112 GLY H H 112 8.149 8.149 8.362 -0.213 25776 11505 1 15 . 1 1 113 113 GLY N N 113 108.372 108.372 108.897 -0.525 25776 11506 1 15 . 1 1 113 113 GLY C C 113 171.486 171.486 172.693 -1.207 25776 11507 1 15 . 1 1 113 113 GLY CA C 113 46.840 46.840 43.591 3.249 25776 11508 1 15 . 1 1 113 113 GLY H H 113 9.028 9.028 8.663 0.365 25776 11509 1 15 . 1 1 114 114 LEU N N 114 120.469 120.469 123.326 -2.857 25776 11510 1 15 . 1 1 114 114 LEU C C 114 175.878 175.878 175.050 0.828 25776 11511 1 15 . 1 1 114 114 LEU CA C 114 54.611 54.611 55.556 -0.945 25776 11512 1 15 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.533 2.444 25776 11513 1 15 . 1 1 114 114 LEU H H 114 8.741 8.741 7.861 0.880 25776 11514 1 15 . 1 1 115 115 GLY N N 115 111.145 111.145 111.593 -0.448 25776 11515 1 15 . 1 1 115 115 GLY C C 115 171.336 171.336 171.392 -0.056 25776 11516 1 15 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.866 1.989 25776 11517 1 15 . 1 1 115 115 GLY H H 115 8.952 8.952 8.810 0.142 25776 11518 1 15 . 1 1 116 116 VAL N N 116 118.641 118.641 119.321 -0.680 25776 11519 1 15 . 1 1 116 116 VAL C C 116 172.617 172.617 173.317 -0.700 25776 11520 1 15 . 1 1 116 116 VAL CA C 116 60.716 60.716 58.373 2.343 25776 11521 1 15 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.251 2.121 25776 11522 1 15 . 1 1 116 116 VAL H H 116 8.844 8.844 7.727 1.117 25776 11523 1 15 . 1 1 117 117 ASN N N 117 123.839 123.839 125.266 -1.427 25776 11524 1 15 . 1 1 117 117 ASN C C 117 171.105 171.105 173.164 -2.059 25776 11525 1 15 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.671 1.271 25776 11526 1 15 . 1 1 117 117 ASN CB C 117 44.578 44.578 40.037 4.541 25776 11527 1 15 . 1 1 117 117 ASN H H 117 9.647 9.647 7.812 1.835 25776 11528 1 15 . 1 1 118 118 TYR N N 118 125.160 125.160 124.898 0.262 25776 11529 1 15 . 1 1 118 118 TYR C C 118 174.349 174.349 174.592 -0.243 25776 11530 1 15 . 1 1 118 118 TYR CA C 118 56.557 56.557 56.339 0.218 25776 11531 1 15 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.270 0.294 25776 11532 1 15 . 1 1 118 118 TYR H H 118 8.989 8.989 7.892 1.097 25776 11533 1 15 . 1 1 119 119 THR N N 119 124.319 124.319 114.850 9.469 25776 11534 1 15 . 1 1 119 119 THR C C 119 171.231 171.231 173.793 -2.562 25776 11535 1 15 . 1 1 119 119 THR CA C 119 62.951 62.951 60.780 2.171 25776 11536 1 15 . 1 1 119 119 THR CB C 119 72.427 72.427 70.708 1.719 25776 11537 1 15 . 1 1 119 119 THR H H 119 8.806 8.806 8.612 0.194 25776 11538 1 15 . 1 1 120 120 THR N N 120 119.978 119.978 119.528 0.450 25776 11539 1 15 . 1 1 120 120 THR C C 120 171.174 171.174 173.633 -2.459 25776 11540 1 15 . 1 1 120 120 THR CA C 120 59.197 59.197 62.106 -2.909 25776 11541 1 15 . 1 1 120 120 THR CB C 120 72.088 72.088 69.758 2.330 25776 11542 1 15 . 1 1 120 120 THR H H 120 7.559 7.559 8.558 -0.999 25776 11543 1 15 . 1 1 121 121 PHE C C 121 175.289 175.289 174.304 0.985 25776 11544 1 15 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.934 2.435 25776 11545 1 15 . 1 1 122 122 PHE N N 122 117.578 117.578 123.843 -6.265 25776 11546 1 15 . 1 1 122 122 PHE C C 122 172.555 172.555 175.209 -2.654 25776 11547 1 15 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.141 -0.257 25776 11548 1 15 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.154 0.077 25776 11549 1 15 . 1 1 122 122 PHE H H 122 8.541 8.541 8.540 0.001 25776 11550 1 15 . 1 1 123 123 ASP N N 123 116.448 116.448 124.131 -7.683 25776 11551 1 15 . 1 1 123 123 ASP C C 123 175.240 175.240 175.600 -0.360 25776 11552 1 15 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.245 1.589 25776 11553 1 15 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.298 -2.454 25776 11554 1 15 . 1 1 123 123 ASP H H 123 8.940 8.940 8.635 0.305 25776 11555 1 15 . 1 1 124 124 GLU C C 124 177.545 177.545 176.755 0.790 25776 11556 1 15 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.804 3.086 25776 11557 1 15 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.085 -0.627 25776 11558 1 15 . 1 1 125 125 ASP N N 125 126.424 126.424 119.811 6.613 25776 11559 1 15 . 1 1 125 125 ASP C C 125 176.191 176.191 175.778 0.413 25776 11560 1 15 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.315 -0.304 25776 11561 1 15 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.337 2.212 25776 11562 1 15 . 1 1 125 125 ASP H H 125 9.100 9.100 8.511 0.589 25776 11563 1 15 . 1 1 126 126 LEU N N 126 127.990 127.990 120.563 7.427 25776 11564 1 15 . 1 1 126 126 LEU C C 126 175.808 175.808 175.682 0.126 25776 11565 1 15 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.071 1.197 25776 11566 1 15 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.701 3.155 25776 11567 1 15 . 1 1 126 126 LEU H H 126 8.570 8.570 8.014 0.556 25776 11568 1 15 . 1 1 127 127 ALA N N 127 124.126 124.126 127.435 -3.309 25776 11569 1 15 . 1 1 127 127 ALA C C 127 179.833 179.833 177.111 2.722 25776 11570 1 15 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.496 0.225 25776 11571 1 15 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.377 0.682 25776 11572 1 15 . 1 1 127 127 ALA H H 127 7.885 7.885 8.330 -0.445 25776 11573 1 15 . 1 1 129 129 ASN C C 129 176.927 176.927 175.432 1.495 25776 11574 1 15 . 1 1 129 129 ASN CB C 129 37.473 37.473 40.617 -3.143 25776 11575 1 15 . 1 1 130 130 ARG N N 130 117.748 117.748 125.364 -7.616 25776 11576 1 15 . 1 1 130 130 ARG C C 130 179.430 179.430 177.123 2.307 25776 11577 1 15 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.772 -1.929 25776 11578 1 15 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.753 -0.427 25776 11579 1 15 . 1 1 130 130 ARG H H 130 7.435 7.435 8.815 -1.380 25776 11580 1 15 . 1 1 131 131 LYS N N 131 122.261 122.261 118.956 3.305 25776 11581 1 15 . 1 1 131 131 LYS C C 131 180.937 180.937 177.777 3.160 25776 11582 1 15 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.125 2.336 25776 11583 1 15 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.851 1.060 25776 11584 1 15 . 1 1 131 131 LYS H H 131 7.945 7.945 8.221 -0.276 25776 11585 1 15 . 1 1 132 132 ALA N N 132 122.083 122.083 122.426 -0.343 25776 11586 1 15 . 1 1 132 132 ALA C C 132 178.748 178.748 179.137 -0.389 25776 11587 1 15 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.283 1.086 25776 11588 1 15 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.142 0.987 25776 11589 1 15 . 1 1 132 132 ALA H H 132 7.770 7.770 7.896 -0.126 25776 11590 1 15 . 1 1 133 133 GLN N N 133 116.102 116.102 115.598 0.504 25776 11591 1 15 . 1 1 133 133 GLN C C 133 175.525 175.525 177.186 -1.661 25776 11592 1 15 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.692 1.406 25776 11593 1 15 . 1 1 133 133 GLN CB C 133 30.355 30.355 30.677 -0.322 25776 11594 1 15 . 1 1 133 133 GLN H H 133 7.302 7.302 7.887 -0.585 25776 11595 1 15 . 1 1 134 134 GLY N N 134 104.444 104.444 109.057 -4.613 25776 11596 1 15 . 1 1 134 134 GLY C C 134 174.460 174.460 174.063 0.397 25776 11597 1 15 . 1 1 134 134 GLY CA C 134 45.882 45.882 46.156 -0.274 25776 11598 1 15 . 1 1 134 134 GLY H H 134 7.596 7.596 8.202 -0.606 25776 11599 1 15 . 1 1 135 135 PHE N N 135 119.775 119.775 119.280 0.495 25776 11600 1 15 . 1 1 135 135 PHE C C 135 174.922 174.922 175.450 -0.528 25776 11601 1 15 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.828 2.066 25776 11602 1 15 . 1 1 135 135 PHE CB C 135 40.291 40.291 41.842 -1.551 25776 11603 1 15 . 1 1 135 135 PHE H H 135 7.737 7.737 7.724 0.013 25776 11604 1 15 . 1 1 136 136 SER N N 136 115.673 115.673 118.778 -3.105 25776 11605 1 15 . 1 1 136 136 SER C C 136 174.415 174.415 174.244 0.171 25776 11606 1 15 . 1 1 136 136 SER CA C 136 59.679 59.679 59.702 -0.023 25776 11607 1 15 . 1 1 136 136 SER CB C 136 66.246 66.246 63.390 2.856 25776 11608 1 15 . 1 1 136 136 SER H H 136 8.862 8.862 8.028 0.834 25776 11609 1 15 . 1 1 137 137 SER N N 137 114.341 114.341 117.251 -2.910 25776 11610 1 15 . 1 1 137 137 SER C C 137 172.164 172.164 173.807 -1.643 25776 11611 1 15 . 1 1 137 137 SER CA C 137 58.955 58.955 58.036 0.919 25776 11612 1 15 . 1 1 137 137 SER CB C 137 65.592 65.592 64.562 1.030 25776 11613 1 15 . 1 1 137 137 SER H H 137 7.912 7.912 8.244 -0.332 25776 11614 1 15 . 1 1 138 138 MET N N 138 120.555 120.555 119.828 0.727 25776 11615 1 15 . 1 1 138 138 MET C C 138 173.189 173.189 174.662 -1.473 25776 11616 1 15 . 1 1 138 138 MET CA C 138 55.879 55.879 55.145 0.734 25776 11617 1 15 . 1 1 138 138 MET CB C 138 36.962 36.962 32.957 4.005 25776 11618 1 15 . 1 1 138 138 MET H H 138 8.461 8.461 8.437 0.024 25776 11619 1 15 . 1 1 141 141 GLN C C 141 176.182 176.182 174.923 1.259 25776 11620 1 15 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.382 2.053 25776 11621 1 15 . 1 1 142 142 ASP N N 142 124.414 124.414 123.743 0.671 25776 11622 1 15 . 1 1 142 142 ASP C C 142 175.702 175.702 175.427 0.275 25776 11623 1 15 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.064 2.243 25776 11624 1 15 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.853 -0.115 25776 11625 1 15 . 1 1 142 142 ASP H H 142 8.728 8.728 8.959 -0.231 25776 11626 1 15 . 1 1 143 143 SER N N 143 114.920 114.920 116.306 -1.386 25776 11627 1 15 . 1 1 143 143 SER C C 143 172.289 172.289 172.965 -0.676 25776 11628 1 15 . 1 1 143 143 SER CA C 143 57.652 57.652 58.355 -0.703 25776 11629 1 15 . 1 1 143 143 SER CB C 143 66.215 66.215 64.365 1.850 25776 11630 1 15 . 1 1 143 143 SER H H 143 8.703 8.703 8.267 0.436 25776 11631 1 15 . 1 1 144 144 TRP N N 144 126.444 126.444 127.036 -0.592 25776 11632 1 15 . 1 1 144 144 TRP C C 144 177.307 177.307 174.261 3.046 25776 11633 1 15 . 1 1 144 144 TRP CA C 144 56.875 56.875 57.958 -1.083 25776 11634 1 15 . 1 1 144 144 TRP CB C 144 33.364 33.364 32.166 1.198 25776 11635 1 15 . 1 1 144 144 TRP H H 144 8.101 8.101 8.402 -0.301 25776 11636 1 15 . 1 1 145 145 GLY N N 145 108.757 108.757 111.633 -2.876 25776 11637 1 15 . 1 1 145 145 GLY C C 145 171.985 171.985 172.550 -0.565 25776 11638 1 15 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.098 2.450 25776 11639 1 15 . 1 1 145 145 GLY H H 145 8.889 8.889 7.592 1.297 25776 11640 1 15 . 1 1 146 146 LEU N N 146 121.579 121.579 117.708 3.871 25776 11641 1 15 . 1 1 146 146 LEU C C 146 174.909 174.909 175.092 -0.183 25776 11642 1 15 . 1 1 146 146 LEU CA C 146 56.175 56.175 55.449 0.726 25776 11643 1 15 . 1 1 146 146 LEU CB C 146 45.163 45.163 41.999 3.164 25776 11644 1 15 . 1 1 146 146 LEU H H 146 9.035 9.035 8.226 0.809 25776 11645 1 15 . 1 1 147 147 ALA N N 147 121.342 121.342 120.248 1.094 25776 11646 1 15 . 1 1 147 147 ALA C C 147 175.588 175.588 176.180 -0.592 25776 11647 1 15 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.129 0.805 25776 11648 1 15 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.975 2.130 25776 11649 1 15 . 1 1 147 147 ALA H H 147 8.123 8.123 8.429 -0.306 25776 11650 1 15 . 1 1 148 148 GLY N N 148 106.598 106.598 106.459 0.139 25776 11651 1 15 . 1 1 148 148 GLY C C 148 171.829 171.829 171.566 0.263 25776 11652 1 15 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.357 -0.609 25776 11653 1 15 . 1 1 148 148 GLY H H 148 9.216 9.216 7.927 1.289 25776 11654 1 15 . 1 1 149 149 GLU N N 149 122.775 122.775 121.230 1.545 25776 11655 1 15 . 1 1 149 149 GLU C C 149 174.078 174.078 174.464 -0.386 25776 11656 1 15 . 1 1 149 149 GLU CA C 149 55.802 55.802 54.278 1.524 25776 11657 1 15 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.090 4.325 25776 11658 1 15 . 1 1 149 149 GLU H H 149 8.493 8.493 7.841 0.652 25776 11659 1 15 . 1 1 150 150 LEU N N 150 126.310 126.310 122.289 4.021 25776 11660 1 15 . 1 1 150 150 LEU C C 150 174.309 174.309 174.896 -0.587 25776 11661 1 15 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.694 0.248 25776 11662 1 15 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.578 2.913 25776 11663 1 15 . 1 1 150 150 LEU H H 150 8.580 8.580 7.952 0.628 25776 11664 1 15 . 1 1 151 151 GLY N N 151 109.909 109.909 112.281 -2.372 25776 11665 1 15 . 1 1 151 151 GLY C C 151 170.538 170.538 171.672 -1.134 25776 11666 1 15 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.019 0.601 25776 11667 1 15 . 1 1 151 151 GLY H H 151 8.115 8.115 7.910 0.205 25776 11668 1 15 . 1 1 152 152 PHE N N 152 111.012 111.012 114.343 -3.331 25776 11669 1 15 . 1 1 152 152 PHE C C 152 171.455 171.455 173.309 -1.854 25776 11670 1 15 . 1 1 152 152 PHE CA C 152 58.712 58.712 55.607 3.105 25776 11671 1 15 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.878 0.617 25776 11672 1 15 . 1 1 152 152 PHE H H 152 8.365 8.365 8.613 -0.248 25776 11673 1 15 . 1 1 153 153 ASP N N 153 119.057 119.057 120.250 -1.193 25776 11674 1 15 . 1 1 153 153 ASP C C 153 176.522 176.522 175.255 1.267 25776 11675 1 15 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.540 -0.074 25776 11676 1 15 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.546 1.551 25776 11677 1 15 . 1 1 153 153 ASP H H 153 8.014 8.014 8.812 -0.798 25776 11678 1 15 . 1 1 154 154 TYR N N 154 123.640 123.640 127.614 -3.974 25776 11679 1 15 . 1 1 154 154 TYR C C 154 175.593 175.593 175.300 0.293 25776 11680 1 15 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.786 1.102 25776 11681 1 15 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.381 4.441 25776 11682 1 15 . 1 1 154 154 TYR H H 154 9.744 9.744 8.055 1.689 25776 11683 1 15 . 1 1 155 155 MET N N 155 126.409 126.409 122.203 4.206 25776 11684 1 15 . 1 1 155 155 MET C C 155 174.938 174.938 175.470 -0.532 25776 11685 1 15 . 1 1 155 155 MET CA C 155 55.410 55.410 55.615 -0.205 25776 11686 1 15 . 1 1 155 155 MET CB C 155 29.170 29.170 33.256 -4.086 25776 11687 1 15 . 1 1 155 155 MET H H 155 8.659 8.659 8.138 0.521 25776 11688 1 15 . 1 1 156 156 LEU N N 156 125.396 125.396 122.707 2.689 25776 11689 1 15 . 1 1 156 156 LEU C C 156 177.567 177.567 177.696 -0.129 25776 11690 1 15 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.372 1.201 25776 11691 1 15 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.616 1.296 25776 11692 1 15 . 1 1 156 156 LEU H H 156 9.232 9.232 8.651 0.581 25776 11693 1 15 . 1 1 157 157 ASN N N 157 114.903 114.903 115.130 -0.227 25776 11694 1 15 . 1 1 157 157 ASN C C 157 173.568 173.568 175.627 -2.059 25776 11695 1 15 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.008 -1.816 25776 11696 1 15 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.174 0.737 25776 11697 1 15 . 1 1 157 157 ASN H H 157 8.099 8.099 8.182 -0.083 25776 11698 1 15 . 1 1 158 158 GLU N N 158 114.724 114.724 117.947 -3.223 25776 11699 1 15 . 1 1 158 158 GLU C C 158 176.032 176.032 177.545 -1.513 25776 11700 1 15 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.990 2.688 25776 11701 1 15 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.597 -0.082 25776 11702 1 15 . 1 1 158 158 GLU H H 158 8.625 8.625 8.648 -0.023 25776 11703 1 15 . 1 1 159 159 HIS N N 159 111.022 111.022 114.224 -3.202 25776 11704 1 15 . 1 1 159 159 HIS C C 159 173.158 173.158 173.964 -0.806 25776 11705 1 15 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.261 1.175 25776 11706 1 15 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.404 0.988 25776 11707 1 15 . 1 1 159 159 HIS H H 159 8.201 8.201 8.146 0.055 25776 11708 1 15 . 1 1 160 160 ALA N N 160 122.967 122.967 120.318 2.649 25776 11709 1 15 . 1 1 160 160 ALA C C 160 176.212 176.212 175.465 0.747 25776 11710 1 15 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.581 0.741 25776 11711 1 15 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.424 1.002 25776 11712 1 15 . 1 1 160 160 ALA H H 160 8.389 8.389 7.633 0.756 25776 11713 1 15 . 1 1 161 161 LEU N N 161 116.648 116.648 115.204 1.444 25776 11714 1 15 . 1 1 161 161 LEU C C 161 174.922 174.922 175.242 -0.320 25776 11715 1 15 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.809 1.077 25776 11716 1 15 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.440 2.055 25776 11717 1 15 . 1 1 161 161 LEU H H 161 8.616 8.616 8.497 0.119 25776 11718 1 15 . 1 1 162 162 PHE N N 162 121.938 121.938 119.306 2.632 25776 11719 1 15 . 1 1 162 162 PHE C C 162 171.989 171.989 174.557 -2.568 25776 11720 1 15 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.998 0.020 25776 11721 1 15 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.206 0.882 25776 11722 1 15 . 1 1 162 162 PHE H H 162 9.221 9.221 8.437 0.784 25776 11723 1 15 . 1 1 163 163 ASN N N 163 127.932 127.932 122.952 4.980 25776 11724 1 15 . 1 1 163 163 ASN C C 163 171.357 171.357 173.884 -2.527 25776 11725 1 15 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.847 0.102 25776 11726 1 15 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.033 6.007 25776 11727 1 15 . 1 1 163 163 ASN H H 163 7.735 7.735 8.119 -0.384 25776 11728 1 15 . 1 1 164 164 MET N N 164 120.121 120.121 123.611 -3.490 25776 11729 1 15 . 1 1 164 164 MET C C 164 172.837 172.837 173.653 -0.816 25776 11730 1 15 . 1 1 164 164 MET CA C 164 55.914 55.914 54.779 1.135 25776 11731 1 15 . 1 1 164 164 MET CB C 164 38.643 38.643 36.240 2.403 25776 11732 1 15 . 1 1 164 164 MET H H 164 7.092 7.092 9.182 -2.090 25776 11733 1 15 . 1 1 165 165 ALA N N 165 120.745 120.745 124.408 -3.663 25776 11734 1 15 . 1 1 165 165 ALA C C 165 174.047 174.047 174.409 -0.362 25776 11735 1 15 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.479 0.935 25776 11736 1 15 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.629 0.514 25776 11737 1 15 . 1 1 165 165 ALA H H 165 8.370 8.370 8.405 -0.035 25776 11738 1 15 . 1 1 166 166 VAL N N 166 118.385 118.385 114.747 3.638 25776 11739 1 15 . 1 1 166 166 VAL C C 166 172.556 172.556 175.105 -2.549 25776 11740 1 15 . 1 1 166 166 VAL CA C 166 60.628 60.628 59.519 1.109 25776 11741 1 15 . 1 1 166 166 VAL CB C 166 36.127 36.127 31.562 4.565 25776 11742 1 15 . 1 1 166 166 VAL H H 166 8.723 8.723 8.233 0.490 25776 11743 1 15 . 1 1 167 167 TRP N N 167 123.258 123.258 127.647 -4.389 25776 11744 1 15 . 1 1 167 167 TRP C C 167 174.016 174.016 175.466 -1.450 25776 11745 1 15 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.425 2.179 25776 11746 1 15 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.078 1.581 25776 11747 1 15 . 1 1 167 167 TRP H H 167 9.312 9.312 8.132 1.180 25776 11748 1 15 . 1 1 168 168 TYR N N 168 121.455 121.455 120.303 1.152 25776 11749 1 15 . 1 1 168 168 TYR C C 168 175.110 175.110 173.343 1.767 25776 11750 1 15 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.567 -1.381 25776 11751 1 15 . 1 1 168 168 TYR CB C 168 42.440 42.440 42.821 -0.381 25776 11752 1 15 . 1 1 168 168 TYR H H 168 8.398 8.398 8.231 0.167 25776 11753 1 15 . 1 1 169 169 MET N N 169 124.800 124.800 122.896 1.904 25776 11754 1 15 . 1 1 169 169 MET C C 169 172.688 172.688 173.549 -0.861 25776 11755 1 15 . 1 1 169 169 MET CA C 169 55.640 55.640 55.059 0.580 25776 11756 1 15 . 1 1 169 169 MET CB C 169 34.143 34.143 34.347 -0.204 25776 11757 1 15 . 1 1 169 169 MET H H 169 8.131 8.131 8.120 0.011 25776 11758 1 15 . 1 1 170 170 ASP N N 170 122.780 122.780 122.761 0.019 25776 11759 1 15 . 1 1 170 170 ASP C C 170 174.864 174.864 174.994 -0.130 25776 11760 1 15 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.489 1.394 25776 11761 1 15 . 1 1 170 170 ASP CB C 170 41.678 41.678 43.530 -1.852 25776 11762 1 15 . 1 1 170 170 ASP H H 170 8.191 8.191 8.069 0.122 25776 11763 1 15 . 1 1 171 171 ILE N N 171 127.252 127.252 122.967 4.285 25776 11764 1 15 . 1 1 171 171 ILE C C 171 174.476 174.476 175.192 -0.716 25776 11765 1 15 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.766 0.178 25776 11766 1 15 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.956 1.565 25776 11767 1 15 . 1 1 171 171 ILE H H 171 7.805 7.805 8.113 -0.308 25776 11768 1 15 . 1 1 172 172 ASP N N 172 129.369 129.369 128.953 0.416 25776 11769 1 15 . 1 1 172 172 ASP C C 172 174.520 174.520 175.622 -1.102 25776 11770 1 15 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.130 0.671 25776 11771 1 15 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.512 1.577 25776 11772 1 15 . 1 1 172 172 ASP H H 172 8.541 8.541 8.404 0.137 25776 11773 1 15 . 1 1 173 173 THR N N 173 118.920 118.920 112.975 5.945 25776 11774 1 15 . 1 1 173 173 THR C C 173 172.170 172.170 174.631 -2.461 25776 11775 1 15 . 1 1 173 173 THR CA C 173 60.936 60.936 62.297 -1.361 25776 11776 1 15 . 1 1 173 173 THR CB C 173 70.002 70.002 69.776 0.226 25776 11777 1 15 . 1 1 173 173 THR H H 173 8.814 8.814 8.371 0.443 25776 11778 1 15 . 1 1 176 176 SER C C 176 174.672 174.672 175.827 -1.155 25776 11779 1 15 . 1 1 176 176 SER CA C 176 58.834 58.834 59.328 -0.494 25776 11780 1 15 . 1 1 176 176 SER CB C 176 64.984 64.984 63.535 1.449 25776 11781 1 15 . 1 1 177 177 ILE N N 177 121.645 121.645 118.298 3.347 25776 11782 1 15 . 1 1 177 177 ILE C C 177 174.945 174.945 175.450 -0.505 25776 11783 1 15 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.618 0.728 25776 11784 1 15 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.067 2.072 25776 11785 1 15 . 1 1 177 177 ILE H H 177 7.993 7.993 7.760 0.233 25776 11786 1 15 . 1 1 178 178 ASN N N 178 127.223 127.223 120.421 6.802 25776 11787 1 15 . 1 1 178 178 ASN C C 178 179.120 179.120 175.423 3.697 25776 11788 1 15 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.081 2.582 25776 11789 1 15 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.382 3.537 25776 11790 1 15 . 1 1 178 178 ASN H H 178 7.882 7.882 7.975 -0.093 25776 11791 1 15 . 1 1 182 182 ALA N N 182 124.095 124.095 123.180 0.915 25776 11792 1 15 . 1 1 182 182 ALA C C 182 177.680 177.680 175.125 2.555 25776 11793 1 15 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.995 2.221 25776 11794 1 15 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.085 -0.316 25776 11795 1 15 . 1 1 182 182 ALA H H 182 8.100 8.100 7.682 0.418 25776 11796 1 15 . 1 1 183 183 LEU N N 183 118.394 118.394 121.590 -3.196 25776 11797 1 15 . 1 1 183 183 LEU C C 183 177.352 177.352 177.479 -0.127 25776 11798 1 15 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.898 0.930 25776 11799 1 15 . 1 1 183 183 LEU CB C 183 43.184 43.184 44.765 -1.581 25776 11800 1 15 . 1 1 183 183 LEU H H 183 7.854 7.854 8.207 -0.353 25776 11801 1 15 . 1 1 184 184 GLY N N 184 107.897 107.897 108.906 -1.009 25776 11802 1 15 . 1 1 184 184 GLY C C 184 174.288 174.288 172.839 1.449 25776 11803 1 15 . 1 1 184 184 GLY CA C 184 46.676 46.676 45.402 1.274 25776 11804 1 15 . 1 1 184 184 GLY H H 184 7.883 7.883 8.771 -0.888 25776 11805 1 15 . 1 1 185 185 VAL N N 185 118.254 118.254 119.659 -1.405 25776 11806 1 15 . 1 1 185 185 VAL C C 185 175.475 175.475 174.260 1.215 25776 11807 1 15 . 1 1 185 185 VAL CA C 185 63.048 63.048 60.293 2.755 25776 11808 1 15 . 1 1 185 185 VAL CB C 185 33.471 33.471 34.063 -0.592 25776 11809 1 15 . 1 1 185 185 VAL H H 185 7.676 7.676 7.587 0.089 25776 11810 1 15 . 1 1 186 186 ASN N N 186 121.756 121.756 123.738 -1.982 25776 11811 1 15 . 1 1 186 186 ASN C C 186 174.724 174.724 174.544 0.180 25776 11812 1 15 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.613 0.980 25776 11813 1 15 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.156 1.742 25776 11814 1 15 . 1 1 186 186 ASN H H 186 8.331 8.331 8.520 -0.189 25776 11815 1 15 . 1 1 187 187 LYS N N 187 120.959 120.959 123.945 -2.986 25776 11816 1 15 . 1 1 187 187 LYS C C 187 174.652 174.652 175.096 -0.444 25776 11817 1 15 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.035 1.163 25776 11818 1 15 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.756 -0.713 25776 11819 1 15 . 1 1 187 187 LYS H H 187 8.031 8.031 8.183 -0.152 25776 11820 1 15 . 1 1 189 189 LYS C C 189 176.088 176.088 175.185 0.903 25776 11821 1 15 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.243 1.199 25776 11822 1 15 . 1 1 190 190 VAL N N 190 121.122 121.122 123.362 -2.240 25776 11823 1 15 . 1 1 190 190 VAL C C 190 175.545 175.545 175.130 0.415 25776 11824 1 15 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.218 0.903 25776 11825 1 15 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.804 1.144 25776 11826 1 15 . 1 1 190 190 VAL H H 190 8.067 8.067 8.304 -0.237 25776 11827 1 15 . 1 1 191 191 ASP N N 191 124.022 124.022 126.887 -2.865 25776 11828 1 15 . 1 1 191 191 ASP C C 191 175.710 175.710 175.817 -0.107 25776 11829 1 15 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.790 1.479 25776 11830 1 15 . 1 1 191 191 ASP CB C 191 41.978 41.978 42.676 -0.698 25776 11831 1 15 . 1 1 191 191 ASP H H 191 8.282 8.282 8.371 -0.089 25776 11832 1 15 . 1 1 192 192 VAL N N 192 118.928 118.928 122.502 -3.574 25776 11833 1 15 . 1 1 192 192 VAL C C 192 175.433 175.433 175.674 -0.241 25776 11834 1 15 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.032 -0.212 25776 11835 1 15 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.668 1.437 25776 11836 1 15 . 1 1 192 192 VAL H H 192 7.877 7.877 8.254 -0.377 25776 11837 1 15 . 1 1 193 193 ASP N N 193 124.364 124.364 119.890 4.474 25776 11838 1 15 . 1 1 193 193 ASP C C 193 176.118 176.118 175.222 0.896 25776 11839 1 15 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.028 0.183 25776 11840 1 15 . 1 1 193 193 ASP CB C 193 42.033 42.033 40.353 1.680 25776 11841 1 15 . 1 1 193 193 ASP H H 193 8.335 8.335 8.282 0.053 25776 11842 1 15 . 1 1 198 198 VAL N N 198 126.400 126.400 122.195 4.205 25776 11843 1 15 . 1 1 198 198 VAL C C 198 174.600 174.600 174.981 -0.381 25776 11844 1 15 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.785 -1.345 25776 11845 1 15 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.079 2.021 25776 11846 1 15 . 1 1 198 198 VAL H H 198 8.474 8.474 8.896 -0.422 25776 11847 1 15 . 1 1 199 199 TYR N N 199 123.900 123.900 126.814 -2.914 25776 11848 1 15 . 1 1 199 199 TYR C C 199 173.600 173.600 174.721 -1.121 25776 11849 1 15 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.754 -2.244 25776 11850 1 15 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.054 0.576 25776 11851 1 15 . 1 1 199 199 TYR H H 199 8.748 8.748 8.654 0.094 25776 11852 1 15 . 1 1 200 200 MET N N 200 123.700 123.700 125.842 -2.142 25776 11853 1 15 . 1 1 200 200 MET CA C 200 49.420 49.420 53.775 -4.355 25776 11854 1 15 . 1 1 200 200 MET H H 200 9.057 9.057 8.275 0.782 25776 11855 1 15 . 1 1 201 201 ILE C C 201 174.016 174.016 174.299 -0.283 25776 11856 1 15 . 1 1 201 201 ILE CA C 201 60.474 60.474 58.760 1.714 25776 11857 1 15 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.965 1.470 25776 11858 1 15 . 1 1 202 202 GLY N N 202 113.215 113.215 109.866 3.349 25776 11859 1 15 . 1 1 202 202 GLY C C 202 170.124 170.124 172.100 -1.976 25776 11860 1 15 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.099 3.461 25776 11861 1 15 . 1 1 202 202 GLY H H 202 8.646 8.646 8.272 0.374 25776 11862 1 15 . 1 1 203 203 PHE N N 203 116.782 116.782 116.998 -0.216 25776 11863 1 15 . 1 1 203 203 PHE C C 203 174.063 174.063 175.397 -1.334 25776 11864 1 15 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.099 0.353 25776 11865 1 15 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.308 2.391 25776 11866 1 15 . 1 1 203 203 PHE H H 203 8.482 8.482 8.474 0.008 25776 11867 1 15 . 1 1 204 204 GLY N N 204 105.936 105.936 105.808 0.128 25776 11868 1 15 . 1 1 204 204 GLY C C 204 171.097 171.097 171.739 -0.642 25776 11869 1 15 . 1 1 204 204 GLY CA C 204 47.474 47.474 45.431 2.042 25776 11870 1 15 . 1 1 204 204 GLY H H 204 9.003 9.003 8.226 0.777 25776 11871 1 15 . 1 1 205 205 TYR N N 205 121.196 121.196 121.008 0.188 25776 11872 1 15 . 1 1 205 205 TYR C C 205 172.994 172.994 173.213 -0.219 25776 11873 1 15 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.965 -0.279 25776 11874 1 15 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.373 2.817 25776 11875 1 15 . 1 1 205 205 TYR H H 205 9.413 9.413 8.932 0.481 25776 11876 1 15 . 1 1 206 206 LYS N N 206 126.788 126.788 126.101 0.687 25776 11877 1 15 . 1 1 206 206 LYS C C 206 174.161 174.161 175.790 -1.629 25776 11878 1 15 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.509 -0.079 25776 11879 1 15 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.658 1.767 25776 11880 1 15 . 1 1 206 206 LYS H H 206 8.364 8.364 7.908 0.456 25776 11881 1 15 . 1 1 207 207 PHE N N 207 126.168 126.168 122.712 3.456 25776 11882 1 15 . 1 1 207 207 PHE C C 207 175.094 175.094 176.269 -1.175 25776 11883 1 15 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.855 -0.165 25776 11884 1 15 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.851 1.812 25776 11885 1 15 . 1 1 207 207 PHE H H 207 9.308 9.308 8.243 1.065 25776 11886 1 15 . 1 1 208 208 LEU N N 208 123.199 123.199 125.953 -2.754 25776 11887 1 15 . 1 1 208 208 LEU C C 208 176.580 176.580 175.853 0.727 25776 11888 1 15 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.007 1.464 25776 11889 1 15 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.141 1.572 25776 11890 1 15 . 1 1 208 208 LEU H H 208 8.376 8.376 8.167 0.209 25776 11891 1 15 . 1 1 209 209 GLU N N 209 121.960 121.960 125.489 -3.529 25776 11892 1 15 . 1 1 209 209 GLU C C 209 176.226 176.226 175.290 0.936 25776 11893 1 15 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.054 1.678 25776 11894 1 15 . 1 1 209 209 GLU CB C 209 31.453 31.453 29.374 2.079 25776 11895 1 15 . 1 1 209 209 GLU H H 209 8.500 8.500 8.713 -0.213 25776 11896 1 16 . 1 1 2 2 HIS C C 2 175.393 175.393 173.101 2.292 25776 11897 1 16 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.746 -1.942 25776 11898 1 16 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.733 -0.952 25776 11899 1 16 . 1 1 3 3 LYS N N 3 121.908 121.908 119.804 2.104 25776 11900 1 16 . 1 1 3 3 LYS C C 3 173.475 173.475 174.558 -1.083 25776 11901 1 16 . 1 1 3 3 LYS CA C 3 55.027 55.027 56.166 -1.139 25776 11902 1 16 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.111 0.089 25776 11903 1 16 . 1 1 3 3 LYS H H 3 8.608 8.608 8.712 -0.104 25776 11904 1 16 . 1 1 4 4 ALA N N 4 120.771 120.771 121.200 -0.429 25776 11905 1 16 . 1 1 4 4 ALA C C 4 178.118 178.118 177.798 0.320 25776 11906 1 16 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.283 1.156 25776 11907 1 16 . 1 1 4 4 ALA CB C 4 18.049 18.049 19.311 -1.262 25776 11908 1 16 . 1 1 4 4 ALA H H 4 8.581 8.581 8.095 0.486 25776 11909 1 16 . 1 1 5 5 GLY N N 5 112.807 112.807 108.962 3.845 25776 11910 1 16 . 1 1 5 5 GLY C C 5 173.788 173.788 174.302 -0.514 25776 11911 1 16 . 1 1 5 5 GLY CA C 5 44.820 44.820 45.098 -0.278 25776 11912 1 16 . 1 1 5 5 GLY H H 5 9.170 9.170 8.538 0.632 25776 11913 1 16 . 1 1 6 6 ASP N N 6 121.504 121.504 121.177 0.327 25776 11914 1 16 . 1 1 6 6 ASP C C 6 174.307 174.307 174.472 -0.165 25776 11915 1 16 . 1 1 6 6 ASP CA C 6 55.818 55.818 56.186 -0.368 25776 11916 1 16 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.642 -0.067 25776 11917 1 16 . 1 1 6 6 ASP H H 6 7.619 7.619 7.545 0.074 25776 11918 1 16 . 1 1 7 7 PHE N N 7 121.212 121.212 122.986 -1.774 25776 11919 1 16 . 1 1 7 7 PHE C C 7 174.030 174.030 173.437 0.593 25776 11920 1 16 . 1 1 7 7 PHE CA C 7 56.601 56.601 56.481 0.120 25776 11921 1 16 . 1 1 7 7 PHE CB C 7 43.076 43.076 41.497 1.579 25776 11922 1 16 . 1 1 7 7 PHE H H 7 8.285 8.285 8.656 -0.371 25776 11923 1 16 . 1 1 8 8 ILE N N 8 128.185 128.185 122.607 5.578 25776 11924 1 16 . 1 1 8 8 ILE C C 8 173.961 173.961 173.765 0.196 25776 11925 1 16 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.519 2.204 25776 11926 1 16 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.682 1.987 25776 11927 1 16 . 1 1 8 8 ILE H H 8 9.245 9.245 8.824 0.421 25776 11928 1 16 . 1 1 9 9 ILE N N 9 125.624 125.624 122.515 3.109 25776 11929 1 16 . 1 1 9 9 ILE C C 9 173.731 173.731 174.761 -1.030 25776 11930 1 16 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.279 1.012 25776 11931 1 16 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.436 2.655 25776 11932 1 16 . 1 1 9 9 ILE H H 9 8.628 8.628 8.795 -0.167 25776 11933 1 16 . 1 1 10 10 ARG N N 10 125.025 125.025 123.130 1.895 25776 11934 1 16 . 1 1 10 10 ARG C C 10 175.074 175.074 174.182 0.892 25776 11935 1 16 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.970 -0.476 25776 11936 1 16 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.148 -0.376 25776 11937 1 16 . 1 1 10 10 ARG H H 10 9.225 9.225 8.885 0.340 25776 11938 1 16 . 1 1 11 11 GLY N N 11 106.141 106.141 112.969 -6.828 25776 11939 1 16 . 1 1 11 11 GLY C C 11 171.959 171.959 172.436 -0.477 25776 11940 1 16 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.506 -0.299 25776 11941 1 16 . 1 1 11 11 GLY H H 11 8.885 8.885 8.005 0.880 25776 11942 1 16 . 1 1 12 12 GLY N N 12 107.818 107.818 108.379 -0.561 25776 11943 1 16 . 1 1 12 12 GLY C C 12 171.465 171.465 171.762 -0.297 25776 11944 1 16 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.313 3.000 25776 11945 1 16 . 1 1 12 12 GLY H H 12 8.433 8.433 7.749 0.684 25776 11946 1 16 . 1 1 13 13 PHE N N 13 120.233 120.233 118.568 1.665 25776 11947 1 16 . 1 1 13 13 PHE C C 13 174.056 174.056 175.560 -1.504 25776 11948 1 16 . 1 1 13 13 PHE CA C 13 57.151 57.151 58.816 -1.665 25776 11949 1 16 . 1 1 13 13 PHE CB C 13 41.625 41.625 40.267 1.358 25776 11950 1 16 . 1 1 13 13 PHE H H 13 8.606 8.606 8.648 -0.042 25776 11951 1 16 . 1 1 18 18 PRO C C 18 176.552 176.552 176.036 0.516 25776 11952 1 16 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.002 1.089 25776 11953 1 16 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.970 0.679 25776 11954 1 16 . 1 1 19 19 ASP N N 19 121.094 121.094 118.604 2.490 25776 11955 1 16 . 1 1 19 19 ASP C C 19 176.047 176.047 177.405 -1.358 25776 11956 1 16 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.815 0.459 25776 11957 1 16 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.455 0.588 25776 11958 1 16 . 1 1 19 19 ASP H H 19 8.372 8.372 8.297 0.075 25776 11959 1 16 . 1 1 20 20 ASP N N 20 123.179 123.179 119.441 3.738 25776 11960 1 16 . 1 1 20 20 ASP C C 20 176.790 176.790 176.548 0.242 25776 11961 1 16 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.207 -0.112 25776 11962 1 16 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.052 0.782 25776 11963 1 16 . 1 1 20 20 ASP H H 20 8.357 8.357 8.352 0.005 25776 11964 1 16 . 1 1 21 21 SER N N 21 117.319 117.319 115.015 2.304 25776 11965 1 16 . 1 1 21 21 SER C C 21 175.218 175.218 174.626 0.592 25776 11966 1 16 . 1 1 21 21 SER CA C 21 60.134 60.134 57.744 2.390 25776 11967 1 16 . 1 1 21 21 SER CB C 21 64.701 64.701 62.943 1.758 25776 11968 1 16 . 1 1 21 21 SER H H 21 8.398 8.398 8.079 0.319 25776 11969 1 16 . 1 1 22 22 SER N N 22 117.994 117.994 116.466 1.528 25776 11970 1 16 . 1 1 22 22 SER C C 22 174.877 174.877 174.456 0.421 25776 11971 1 16 . 1 1 22 22 SER CA C 22 59.839 59.839 58.282 1.557 25776 11972 1 16 . 1 1 22 22 SER CB C 22 64.669 64.669 64.296 0.372 25776 11973 1 16 . 1 1 22 22 SER H H 22 8.314 8.314 7.623 0.691 25776 11974 1 16 . 1 1 23 23 SER N N 23 117.809 117.809 114.986 2.823 25776 11975 1 16 . 1 1 23 23 SER C C 23 174.298 174.298 172.679 1.619 25776 11976 1 16 . 1 1 23 23 SER CA C 23 59.629 59.629 57.716 1.913 25776 11977 1 16 . 1 1 23 23 SER CB C 23 64.802 64.802 65.063 -0.261 25776 11978 1 16 . 1 1 23 23 SER H H 23 8.143 8.143 8.526 -0.383 25776 11979 1 16 . 1 1 24 24 ASP N N 24 122.829 122.829 121.778 1.051 25776 11980 1 16 . 1 1 24 24 ASP C C 24 176.250 176.250 176.634 -0.384 25776 11981 1 16 . 1 1 24 24 ASP CA C 24 55.493 55.493 53.462 2.031 25776 11982 1 16 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.702 -0.861 25776 11983 1 16 . 1 1 24 24 ASP H H 24 8.234 8.234 8.444 -0.210 25776 11984 1 16 . 1 1 25 25 ILE N N 25 120.717 120.717 118.710 2.007 25776 11985 1 16 . 1 1 25 25 ILE C C 25 176.204 176.204 175.400 0.804 25776 11986 1 16 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.978 0.577 25776 11987 1 16 . 1 1 25 25 ILE CB C 25 39.668 39.668 35.996 3.671 25776 11988 1 16 . 1 1 25 25 ILE H H 25 7.884 7.884 8.621 -0.737 25776 11989 1 16 . 1 1 26 26 LYS N N 26 124.527 124.527 116.646 7.881 25776 11990 1 16 . 1 1 26 26 LYS C C 26 176.616 176.616 176.173 0.443 25776 11991 1 16 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.514 0.678 25776 11992 1 16 . 1 1 26 26 LYS CB C 26 33.809 33.809 31.521 2.288 25776 11993 1 16 . 1 1 26 26 LYS H H 26 8.164 8.164 8.191 -0.027 25776 11994 1 16 . 1 1 27 27 LEU N N 27 123.292 123.292 119.598 3.694 25776 11995 1 16 . 1 1 27 27 LEU C C 27 177.077 177.077 177.277 -0.200 25776 11996 1 16 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.648 0.526 25776 11997 1 16 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.774 0.543 25776 11998 1 16 . 1 1 27 27 LEU H H 27 8.100 8.100 7.728 0.372 25776 11999 1 16 . 1 1 28 28 ASP N N 28 121.059 121.059 121.292 -0.233 25776 12000 1 16 . 1 1 28 28 ASP C C 28 176.929 176.929 175.943 0.986 25776 12001 1 16 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.016 1.332 25776 12002 1 16 . 1 1 28 28 ASP CB C 28 42.075 42.075 40.711 1.364 25776 12003 1 16 . 1 1 28 28 ASP H H 28 8.209 8.209 8.480 -0.271 25776 12004 1 16 . 1 1 29 29 GLY N N 29 110.032 110.032 111.294 -1.262 25776 12005 1 16 . 1 1 29 29 GLY C C 29 174.364 174.364 173.008 1.356 25776 12006 1 16 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.715 1.163 25776 12007 1 16 . 1 1 29 29 GLY H H 29 8.274 8.274 8.320 -0.046 25776 12008 1 16 . 1 1 30 30 ALA N N 30 124.102 124.102 125.411 -1.309 25776 12009 1 16 . 1 1 30 30 ALA C C 30 178.005 178.005 175.920 2.085 25776 12010 1 16 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.527 1.297 25776 12011 1 16 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.384 0.743 25776 12012 1 16 . 1 1 30 30 ALA H H 30 8.085 8.085 8.256 -0.171 25776 12013 1 16 . 1 1 31 31 LYS N N 31 119.810 119.810 121.357 -1.547 25776 12014 1 16 . 1 1 31 31 LYS C C 31 176.650 176.650 174.888 1.762 25776 12015 1 16 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.267 1.205 25776 12016 1 16 . 1 1 31 31 LYS CB C 31 33.948 33.948 34.059 -0.111 25776 12017 1 16 . 1 1 31 31 LYS H H 31 8.075 8.075 8.279 -0.204 25776 12018 1 16 . 1 1 32 32 GLN N N 32 121.045 121.045 122.823 -1.778 25776 12019 1 16 . 1 1 32 32 GLN C C 32 175.862 175.862 175.211 0.651 25776 12020 1 16 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.167 1.772 25776 12021 1 16 . 1 1 32 32 GLN CB C 32 30.194 30.194 30.431 -0.237 25776 12022 1 16 . 1 1 32 32 GLN H H 32 8.182 8.182 8.519 -0.337 25776 12023 1 16 . 1 1 33 33 ARG N N 33 122.683 122.683 127.066 -4.383 25776 12024 1 16 . 1 1 33 33 ARG C C 33 176.492 176.492 175.558 0.934 25776 12025 1 16 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.807 1.275 25776 12026 1 16 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.057 1.895 25776 12027 1 16 . 1 1 33 33 ARG H H 33 8.288 8.288 8.688 -0.400 25776 12028 1 16 . 1 1 36 36 LYS C C 36 176.028 176.028 175.252 0.776 25776 12029 1 16 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.194 1.029 25776 12030 1 16 . 1 1 36 36 LYS CB C 36 34.262 34.262 33.847 0.415 25776 12031 1 16 . 1 1 37 37 ALA N N 37 125.793 125.793 128.790 -2.997 25776 12032 1 16 . 1 1 37 37 ALA C C 37 177.567 177.567 177.482 0.085 25776 12033 1 16 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.197 1.371 25776 12034 1 16 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.676 0.732 25776 12035 1 16 . 1 1 37 37 ALA H H 37 8.329 8.329 8.639 -0.310 25776 12036 1 16 . 1 1 38 38 THR N N 38 113.398 113.398 116.195 -2.797 25776 12037 1 16 . 1 1 38 38 THR C C 38 174.556 174.556 175.464 -0.908 25776 12038 1 16 . 1 1 38 38 THR CA C 38 62.551 62.551 63.942 -1.391 25776 12039 1 16 . 1 1 38 38 THR CB C 38 71.054 71.054 69.135 1.919 25776 12040 1 16 . 1 1 38 38 THR H H 38 8.007 8.007 8.536 -0.529 25776 12041 1 16 . 1 1 39 39 VAL N N 39 120.865 120.865 118.047 2.818 25776 12042 1 16 . 1 1 39 39 VAL C C 39 175.523 175.523 175.300 0.223 25776 12043 1 16 . 1 1 39 39 VAL CA C 39 63.100 63.100 63.346 -0.246 25776 12044 1 16 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.578 1.466 25776 12045 1 16 . 1 1 39 39 VAL H H 39 8.043 8.043 8.147 -0.104 25776 12046 1 16 . 1 1 40 40 ASP N N 40 124.053 124.053 119.010 5.043 25776 12047 1 16 . 1 1 40 40 ASP C C 40 176.132 176.132 176.536 -0.404 25776 12048 1 16 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.696 0.585 25776 12049 1 16 . 1 1 40 40 ASP CB C 40 42.219 42.219 43.314 -1.095 25776 12050 1 16 . 1 1 40 40 ASP H H 40 8.333 8.333 8.643 -0.310 25776 12051 1 16 . 1 1 41 41 SER N N 41 115.655 115.655 114.805 0.850 25776 12052 1 16 . 1 1 41 41 SER C C 41 174.147 174.147 173.453 0.694 25776 12053 1 16 . 1 1 41 41 SER CA C 41 59.367 59.367 58.839 0.528 25776 12054 1 16 . 1 1 41 41 SER CB C 41 65.027 65.027 64.117 0.910 25776 12055 1 16 . 1 1 41 41 SER H H 41 8.142 8.142 8.517 -0.375 25776 12056 1 16 . 1 1 42 42 ASP N N 42 123.005 123.005 122.051 0.954 25776 12057 1 16 . 1 1 42 42 ASP C C 42 176.578 176.578 176.011 0.567 25776 12058 1 16 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.734 0.705 25776 12059 1 16 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.849 0.555 25776 12060 1 16 . 1 1 42 42 ASP H H 42 8.433 8.433 8.469 -0.036 25776 12061 1 16 . 1 1 43 43 THR C C 43 176.244 176.244 174.346 1.898 25776 12062 1 16 . 1 1 43 43 THR CA C 43 62.772 62.772 62.586 0.186 25776 12063 1 16 . 1 1 43 43 THR CB C 43 71.018 71.018 70.170 0.848 25776 12064 1 16 . 1 1 44 44 GLN N N 44 123.824 123.824 123.362 0.462 25776 12065 1 16 . 1 1 44 44 GLN C C 44 177.061 177.061 174.462 2.599 25776 12066 1 16 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.763 1.516 25776 12067 1 16 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.575 4.087 25776 12068 1 16 . 1 1 44 44 GLN H H 44 8.270 8.270 8.242 0.028 25776 12069 1 16 . 1 1 45 45 LEU N N 45 122.159 122.159 123.884 -1.725 25776 12070 1 16 . 1 1 45 45 LEU C C 45 176.419 176.419 175.871 0.548 25776 12071 1 16 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.774 2.344 25776 12072 1 16 . 1 1 45 45 LEU CB C 45 42.621 42.621 45.143 -2.522 25776 12073 1 16 . 1 1 45 45 LEU H H 45 7.940 7.940 8.061 -0.121 25776 12074 1 16 . 1 1 46 46 GLY N N 46 107.861 107.861 107.643 0.218 25776 12075 1 16 . 1 1 46 46 GLY C C 46 171.538 171.538 172.116 -0.578 25776 12076 1 16 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.398 0.377 25776 12077 1 16 . 1 1 46 46 GLY H H 46 8.566 8.566 7.892 0.674 25776 12078 1 16 . 1 1 47 47 LEU N N 47 122.959 122.959 125.562 -2.603 25776 12079 1 16 . 1 1 47 47 LEU C C 47 175.422 175.422 174.610 0.812 25776 12080 1 16 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.428 -0.097 25776 12081 1 16 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.605 2.738 25776 12082 1 16 . 1 1 47 47 LEU H H 47 8.457 8.457 8.413 0.044 25776 12083 1 16 . 1 1 48 48 THR N N 48 112.144 112.144 122.374 -10.230 25776 12084 1 16 . 1 1 48 48 THR C C 48 172.347 172.347 173.317 -0.970 25776 12085 1 16 . 1 1 48 48 THR CA C 48 59.573 59.573 61.502 -1.929 25776 12086 1 16 . 1 1 48 48 THR CB C 48 72.843 72.843 71.856 0.987 25776 12087 1 16 . 1 1 48 48 THR H H 48 8.814 8.814 8.917 -0.103 25776 12088 1 16 . 1 1 49 49 PHE N N 49 118.787 118.787 124.237 -5.450 25776 12089 1 16 . 1 1 49 49 PHE C C 49 174.623 174.623 175.072 -0.449 25776 12090 1 16 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.527 -1.790 25776 12091 1 16 . 1 1 49 49 PHE CB C 49 42.986 42.986 40.629 2.357 25776 12092 1 16 . 1 1 49 49 PHE H H 49 8.455 8.455 8.589 -0.134 25776 12093 1 16 . 1 1 50 50 THR N N 50 121.279 121.279 115.929 5.350 25776 12094 1 16 . 1 1 50 50 THR C C 50 173.272 173.272 173.044 0.228 25776 12095 1 16 . 1 1 50 50 THR CA C 50 63.315 63.315 61.145 2.170 25776 12096 1 16 . 1 1 50 50 THR CB C 50 74.327 74.327 71.612 2.715 25776 12097 1 16 . 1 1 50 50 THR H H 50 9.372 9.372 8.857 0.515 25776 12098 1 16 . 1 1 51 51 TYR N N 51 126.005 126.005 126.124 -0.119 25776 12099 1 16 . 1 1 51 51 TYR C C 51 174.837 174.837 174.425 0.412 25776 12100 1 16 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.673 0.187 25776 12101 1 16 . 1 1 51 51 TYR CB C 51 42.447 42.447 43.557 -1.110 25776 12102 1 16 . 1 1 51 51 TYR H H 51 9.157 9.157 8.983 0.174 25776 12103 1 16 . 1 1 52 52 MET N N 52 127.601 127.601 123.240 4.361 25776 12104 1 16 . 1 1 52 52 MET C C 52 174.466 174.466 174.427 0.039 25776 12105 1 16 . 1 1 52 52 MET CA C 52 53.171 53.171 54.991 -1.820 25776 12106 1 16 . 1 1 52 52 MET CB C 52 29.467 29.467 36.148 -6.681 25776 12107 1 16 . 1 1 52 52 MET H H 52 7.998 7.998 8.101 -0.103 25776 12108 1 16 . 1 1 53 53 PHE N N 53 123.918 123.918 124.211 -0.293 25776 12109 1 16 . 1 1 53 53 PHE C C 53 173.685 173.685 174.711 -1.026 25776 12110 1 16 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.129 1.485 25776 12111 1 16 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.137 -3.026 25776 12112 1 16 . 1 1 53 53 PHE H H 53 7.762 7.762 9.375 -1.613 25776 12113 1 16 . 1 1 54 54 ALA N N 54 125.892 125.892 124.288 1.604 25776 12114 1 16 . 1 1 54 54 ALA C C 54 174.976 174.976 178.179 -3.203 25776 12115 1 16 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.419 -1.976 25776 12116 1 16 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.709 4.825 25776 12117 1 16 . 1 1 54 54 ALA H H 54 8.396 8.396 7.708 0.688 25776 12118 1 16 . 1 1 55 55 ASP N N 55 118.951 118.951 119.051 -0.100 25776 12119 1 16 . 1 1 55 55 ASP C C 55 174.777 174.777 175.550 -0.773 25776 12120 1 16 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.813 2.326 25776 12121 1 16 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.596 0.353 25776 12122 1 16 . 1 1 55 55 ASP H H 55 8.632 8.632 8.799 -0.167 25776 12123 1 16 . 1 1 56 56 LYS N N 56 106.363 106.363 113.220 -6.857 25776 12124 1 16 . 1 1 56 56 LYS C C 56 174.930 174.930 175.146 -0.216 25776 12125 1 16 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.395 -0.525 25776 12126 1 16 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.537 3.900 25776 12127 1 16 . 1 1 56 56 LYS H H 56 7.300 7.300 8.296 -0.996 25776 12128 1 16 . 1 1 57 57 TRP N N 57 115.784 115.784 123.342 -7.558 25776 12129 1 16 . 1 1 57 57 TRP C C 57 173.960 173.960 175.981 -2.021 25776 12130 1 16 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.602 -1.645 25776 12131 1 16 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.073 2.103 25776 12132 1 16 . 1 1 57 57 TRP H H 57 6.612 6.612 8.180 -1.568 25776 12133 1 16 . 1 1 58 58 GLY N N 58 107.657 107.657 107.522 0.135 25776 12134 1 16 . 1 1 58 58 GLY C C 58 172.720 172.720 172.046 0.674 25776 12135 1 16 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.008 0.776 25776 12136 1 16 . 1 1 58 58 GLY H H 58 9.271 9.271 8.331 0.940 25776 12137 1 16 . 1 1 59 59 VAL N N 59 118.434 118.434 121.992 -3.558 25776 12138 1 16 . 1 1 59 59 VAL C C 59 172.973 172.973 174.368 -1.395 25776 12139 1 16 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.184 0.454 25776 12140 1 16 . 1 1 59 59 VAL CB C 59 36.036 36.036 34.125 1.911 25776 12141 1 16 . 1 1 59 59 VAL H H 59 9.080 9.080 7.743 1.337 25776 12142 1 16 . 1 1 60 60 GLU N N 60 127.915 127.915 126.046 1.869 25776 12143 1 16 . 1 1 60 60 GLU C C 60 174.464 174.464 174.455 0.009 25776 12144 1 16 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.383 -0.631 25776 12145 1 16 . 1 1 60 60 GLU CB C 60 36.042 36.042 34.290 1.752 25776 12146 1 16 . 1 1 60 60 GLU H H 60 9.431 9.431 9.098 0.333 25776 12147 1 16 . 1 1 61 61 LEU N N 61 127.764 127.764 126.437 1.327 25776 12148 1 16 . 1 1 61 61 LEU C C 61 174.746 174.746 175.175 -0.429 25776 12149 1 16 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.792 0.199 25776 12150 1 16 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.840 1.040 25776 12151 1 16 . 1 1 61 61 LEU H H 61 8.730 8.730 8.205 0.525 25776 12152 1 16 . 1 1 62 62 VAL N N 62 126.465 126.465 124.023 2.442 25776 12153 1 16 . 1 1 62 62 VAL C C 62 174.453 174.453 175.070 -0.617 25776 12154 1 16 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.716 0.569 25776 12155 1 16 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.313 2.773 25776 12156 1 16 . 1 1 62 62 VAL H H 62 9.068 9.068 8.411 0.657 25776 12157 1 16 . 1 1 63 63 ALA N N 63 130.444 130.444 128.146 2.298 25776 12158 1 16 . 1 1 63 63 ALA C C 63 174.030 174.030 174.486 -0.456 25776 12159 1 16 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.653 -0.403 25776 12160 1 16 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.233 1.270 25776 12161 1 16 . 1 1 63 63 ALA H H 63 9.124 9.124 8.875 0.249 25776 12162 1 16 . 1 1 64 64 ALA N N 64 121.285 121.285 121.166 0.119 25776 12163 1 16 . 1 1 64 64 ALA C C 64 176.843 176.843 176.658 0.185 25776 12164 1 16 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.600 0.570 25776 12165 1 16 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.758 2.414 25776 12166 1 16 . 1 1 64 64 ALA H H 64 7.995 7.995 8.302 -0.307 25776 12167 1 16 . 1 1 65 65 THR N N 65 109.734 109.734 119.211 -9.477 25776 12168 1 16 . 1 1 65 65 THR C C 65 176.739 176.739 172.569 4.170 25776 12169 1 16 . 1 1 65 65 THR CA C 65 61.660 61.660 60.271 1.389 25776 12170 1 16 . 1 1 65 65 THR CB C 65 68.341 68.341 69.278 -0.936 25776 12171 1 16 . 1 1 65 65 THR H H 65 8.108 8.108 8.382 -0.274 25776 12172 1 16 . 1 1 67 67 PHE N N 67 123.676 123.676 122.999 0.677 25776 12173 1 16 . 1 1 67 67 PHE CA C 67 56.849 56.849 56.975 -0.126 25776 12174 1 16 . 1 1 67 67 PHE H H 67 8.382 8.382 8.559 -0.177 25776 12175 1 16 . 1 1 74 74 LYS C C 74 177.704 177.704 176.720 0.984 25776 12176 1 16 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.931 0.097 25776 12177 1 16 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.875 0.187 25776 12178 1 16 . 1 1 75 75 GLY N N 75 108.841 108.841 108.655 0.186 25776 12179 1 16 . 1 1 75 75 GLY C C 75 174.405 174.405 174.051 0.354 25776 12180 1 16 . 1 1 75 75 GLY CA C 75 46.712 46.712 45.428 1.284 25776 12181 1 16 . 1 1 75 75 GLY H H 75 8.069 8.069 8.194 -0.125 25776 12182 1 16 . 1 1 76 76 LEU N N 76 120.093 120.093 120.596 -0.503 25776 12183 1 16 . 1 1 76 76 LEU C C 76 176.997 176.997 178.206 -1.209 25776 12184 1 16 . 1 1 76 76 LEU CA C 76 56.180 56.180 56.037 0.143 25776 12185 1 16 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.358 3.639 25776 12186 1 16 . 1 1 76 76 LEU H H 76 7.623 7.623 8.088 -0.465 25776 12187 1 16 . 1 1 79 79 GLY C C 79 175.675 175.675 173.339 2.336 25776 12188 1 16 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.116 1.983 25776 12189 1 16 . 1 1 80 80 LEU N N 80 130.062 130.062 122.285 7.777 25776 12190 1 16 . 1 1 80 80 LEU C C 80 176.062 176.062 175.721 0.341 25776 12191 1 16 . 1 1 80 80 LEU CA C 80 55.404 55.404 53.823 1.581 25776 12192 1 16 . 1 1 80 80 LEU CB C 80 43.006 43.006 44.017 -1.011 25776 12193 1 16 . 1 1 80 80 LEU H H 80 9.441 9.441 7.879 1.562 25776 12194 1 16 . 1 1 81 81 ASP N N 81 124.816 124.816 121.632 3.184 25776 12195 1 16 . 1 1 81 81 ASP C C 81 178.992 178.992 176.800 2.192 25776 12196 1 16 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.174 1.595 25776 12197 1 16 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.674 0.273 25776 12198 1 16 . 1 1 81 81 ASP H H 81 7.854 7.854 8.500 -0.646 25776 12199 1 16 . 1 1 91 91 PRO C C 91 175.297 175.297 176.147 -0.850 25776 12200 1 16 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.505 -0.672 25776 12201 1 16 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.069 1.462 25776 12202 1 16 . 1 1 92 92 ALA N N 92 123.521 123.521 129.165 -5.644 25776 12203 1 16 . 1 1 92 92 ALA C C 92 175.643 175.643 176.634 -0.991 25776 12204 1 16 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.858 1.817 25776 12205 1 16 . 1 1 92 92 ALA CB C 92 22.725 22.725 19.992 2.733 25776 12206 1 16 . 1 1 92 92 ALA H H 92 8.829 8.829 8.291 0.538 25776 12207 1 16 . 1 1 93 93 THR N N 93 117.599 117.599 122.433 -4.834 25776 12208 1 16 . 1 1 93 93 THR C C 93 171.440 171.440 173.402 -1.962 25776 12209 1 16 . 1 1 93 93 THR CA C 93 62.066 62.066 62.553 -0.487 25776 12210 1 16 . 1 1 93 93 THR CB C 93 72.352 72.352 70.351 2.001 25776 12211 1 16 . 1 1 93 93 THR H H 93 8.237 8.237 8.141 0.096 25776 12212 1 16 . 1 1 94 94 LEU N N 94 129.530 129.530 130.326 -0.796 25776 12213 1 16 . 1 1 94 94 LEU C C 94 174.995 174.995 174.087 0.908 25776 12214 1 16 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.611 0.583 25776 12215 1 16 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.268 1.897 25776 12216 1 16 . 1 1 94 94 LEU H H 94 8.732 8.732 8.550 0.182 25776 12217 1 16 . 1 1 95 95 LEU N N 95 124.181 124.181 122.709 1.472 25776 12218 1 16 . 1 1 95 95 LEU C C 95 175.270 175.270 173.923 1.347 25776 12219 1 16 . 1 1 95 95 LEU CA C 95 55.533 55.533 53.719 1.814 25776 12220 1 16 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.914 0.758 25776 12221 1 16 . 1 1 95 95 LEU H H 95 9.485 9.485 9.029 0.456 25776 12222 1 16 . 1 1 96 96 LEU N N 96 123.444 123.444 116.563 6.881 25776 12223 1 16 . 1 1 96 96 LEU C C 96 174.997 174.997 175.599 -0.602 25776 12224 1 16 . 1 1 96 96 LEU CA C 96 55.313 55.313 52.849 2.464 25776 12225 1 16 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.086 2.062 25776 12226 1 16 . 1 1 96 96 LEU H H 96 8.836 8.836 8.769 0.067 25776 12227 1 16 . 1 1 97 97 GLN N N 97 121.545 121.545 120.111 1.434 25776 12228 1 16 . 1 1 97 97 GLN C C 97 174.324 174.324 173.667 0.657 25776 12229 1 16 . 1 1 97 97 GLN CA C 97 55.388 55.388 53.323 2.065 25776 12230 1 16 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.614 5.910 25776 12231 1 16 . 1 1 97 97 GLN H H 97 9.566 9.566 8.471 1.095 25776 12232 1 16 . 1 1 98 98 TYR N N 98 122.246 122.246 117.774 4.472 25776 12233 1 16 . 1 1 98 98 TYR C C 98 173.409 173.409 175.912 -2.503 25776 12234 1 16 . 1 1 98 98 TYR CA C 98 55.655 55.655 54.620 1.035 25776 12235 1 16 . 1 1 98 98 TYR CB C 98 43.208 43.208 40.907 2.301 25776 12236 1 16 . 1 1 98 98 TYR H H 98 9.053 9.053 8.668 0.385 25776 12237 1 16 . 1 1 99 99 TYR N N 99 126.872 126.872 121.715 5.157 25776 12238 1 16 . 1 1 99 99 TYR C C 99 175.310 175.310 175.508 -0.198 25776 12239 1 16 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.329 -0.573 25776 12240 1 16 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.936 1.699 25776 12241 1 16 . 1 1 99 99 TYR H H 99 8.344 8.344 9.118 -0.774 25776 12242 1 16 . 1 1 100 100 PRO C C 100 178.304 178.304 177.516 0.788 25776 12243 1 16 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.998 0.412 25776 12244 1 16 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.573 0.534 25776 12245 1 16 . 1 1 101 101 MET N N 101 114.703 114.703 117.457 -2.754 25776 12246 1 16 . 1 1 101 101 MET C C 101 178.218 178.218 174.667 3.551 25776 12247 1 16 . 1 1 101 101 MET CA C 101 54.147 54.147 54.644 -0.497 25776 12248 1 16 . 1 1 101 101 MET CB C 101 30.956 30.956 33.630 -2.675 25776 12249 1 16 . 1 1 101 101 MET H H 101 9.432 9.432 7.839 1.593 25776 12250 1 16 . 1 1 102 102 GLY N N 102 117.671 117.671 107.921 9.750 25776 12251 1 16 . 1 1 102 102 GLY C C 102 175.611 175.611 173.697 1.914 25776 12252 1 16 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.837 2.615 25776 12253 1 16 . 1 1 102 102 GLY H H 102 8.671 8.671 7.441 1.230 25776 12254 1 16 . 1 1 103 103 GLY N N 103 111.298 111.298 112.848 -1.550 25776 12255 1 16 . 1 1 103 103 GLY C C 103 174.054 174.054 173.090 0.964 25776 12256 1 16 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.071 1.750 25776 12257 1 16 . 1 1 103 103 GLY H H 103 9.436 9.436 8.255 1.181 25776 12258 1 16 . 1 1 104 104 THR N N 104 109.330 109.330 113.024 -3.694 25776 12259 1 16 . 1 1 104 104 THR C C 104 174.248 174.248 173.238 1.010 25776 12260 1 16 . 1 1 104 104 THR CA C 104 61.454 61.454 60.147 1.307 25776 12261 1 16 . 1 1 104 104 THR CB C 104 72.711 72.711 71.061 1.650 25776 12262 1 16 . 1 1 104 104 THR H H 104 7.321 7.321 7.598 -0.277 25776 12263 1 16 . 1 1 105 105 ASN C C 105 175.032 175.032 175.148 -0.116 25776 12264 1 16 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.461 -0.048 25776 12265 1 16 . 1 1 105 105 ASN CB C 105 38.843 38.843 37.980 0.863 25776 12266 1 16 . 1 1 106 106 SER N N 106 113.116 113.116 113.582 -0.466 25776 12267 1 16 . 1 1 106 106 SER C C 106 175.961 175.961 174.647 1.314 25776 12268 1 16 . 1 1 106 106 SER CA C 106 59.289 59.289 58.600 0.689 25776 12269 1 16 . 1 1 106 106 SER CB C 106 65.208 65.208 63.900 1.308 25776 12270 1 16 . 1 1 106 106 SER H H 106 7.487 7.487 7.757 -0.270 25776 12271 1 16 . 1 1 107 107 ALA N N 107 132.317 132.317 123.406 8.911 25776 12272 1 16 . 1 1 107 107 ALA C C 107 176.554 176.554 176.364 0.190 25776 12273 1 16 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.623 2.376 25776 12274 1 16 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.891 -0.361 25776 12275 1 16 . 1 1 107 107 ALA H H 107 8.891 8.891 8.801 0.090 25776 12276 1 16 . 1 1 108 108 PHE N N 108 116.265 116.265 117.323 -1.058 25776 12277 1 16 . 1 1 108 108 PHE C C 108 174.254 174.254 175.579 -1.325 25776 12278 1 16 . 1 1 108 108 PHE CA C 108 56.664 56.664 55.852 0.812 25776 12279 1 16 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.400 0.835 25776 12280 1 16 . 1 1 108 108 PHE H H 108 7.592 7.592 7.941 -0.349 25776 12281 1 16 . 1 1 109 109 GLN N N 109 128.401 128.401 121.970 6.431 25776 12282 1 16 . 1 1 109 109 GLN C C 109 172.298 172.298 174.155 -1.857 25776 12283 1 16 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.311 -0.374 25776 12284 1 16 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.294 -0.314 25776 12285 1 16 . 1 1 109 109 GLN H H 109 9.095 9.095 8.605 0.490 25776 12286 1 16 . 1 1 110 110 PRO C C 110 175.005 175.005 175.838 -0.833 25776 12287 1 16 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.798 -0.574 25776 12288 1 16 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.158 1.971 25776 12289 1 16 . 1 1 111 111 TYR N N 111 115.731 115.731 120.223 -4.492 25776 12290 1 16 . 1 1 111 111 TYR C C 111 173.783 173.783 173.889 -0.106 25776 12291 1 16 . 1 1 111 111 TYR CA C 111 57.072 57.072 55.119 1.953 25776 12292 1 16 . 1 1 111 111 TYR CB C 111 39.435 39.435 41.755 -2.320 25776 12293 1 16 . 1 1 111 111 TYR H H 111 8.510 8.510 8.712 -0.202 25776 12294 1 16 . 1 1 112 112 GLY N N 112 103.737 103.737 105.819 -2.082 25776 12295 1 16 . 1 1 112 112 GLY C C 112 172.014 172.014 172.389 -0.375 25776 12296 1 16 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.800 -0.156 25776 12297 1 16 . 1 1 112 112 GLY H H 112 8.149 8.149 8.522 -0.373 25776 12298 1 16 . 1 1 113 113 GLY N N 113 108.372 108.372 108.596 -0.224 25776 12299 1 16 . 1 1 113 113 GLY C C 113 171.486 171.486 171.847 -0.361 25776 12300 1 16 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.617 1.223 25776 12301 1 16 . 1 1 113 113 GLY H H 113 9.028 9.028 8.343 0.685 25776 12302 1 16 . 1 1 114 114 LEU N N 114 120.469 120.469 114.802 5.667 25776 12303 1 16 . 1 1 114 114 LEU C C 114 175.878 175.878 174.876 1.002 25776 12304 1 16 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.005 1.606 25776 12305 1 16 . 1 1 114 114 LEU CB C 114 48.977 48.977 44.473 4.504 25776 12306 1 16 . 1 1 114 114 LEU H H 114 8.741 8.741 7.593 1.148 25776 12307 1 16 . 1 1 115 115 GLY N N 115 111.145 111.145 105.406 5.739 25776 12308 1 16 . 1 1 115 115 GLY C C 115 171.336 171.336 171.911 -0.575 25776 12309 1 16 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.732 2.123 25776 12310 1 16 . 1 1 115 115 GLY H H 115 8.952 8.952 7.861 1.091 25776 12311 1 16 . 1 1 116 116 VAL N N 116 118.641 118.641 114.654 3.987 25776 12312 1 16 . 1 1 116 116 VAL C C 116 172.617 172.617 174.286 -1.669 25776 12313 1 16 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.274 1.442 25776 12314 1 16 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.363 2.009 25776 12315 1 16 . 1 1 116 116 VAL H H 116 8.844 8.844 8.808 0.036 25776 12316 1 16 . 1 1 117 117 ASN N N 117 123.839 123.839 120.591 3.248 25776 12317 1 16 . 1 1 117 117 ASN C C 117 171.105 171.105 173.598 -2.493 25776 12318 1 16 . 1 1 117 117 ASN CA C 117 52.942 52.942 51.981 0.961 25776 12319 1 16 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.570 2.008 25776 12320 1 16 . 1 1 117 117 ASN H H 117 9.647 9.647 8.458 1.189 25776 12321 1 16 . 1 1 118 118 TYR N N 118 125.160 125.160 124.642 0.518 25776 12322 1 16 . 1 1 118 118 TYR C C 118 174.349 174.349 173.876 0.473 25776 12323 1 16 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.426 -0.869 25776 12324 1 16 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.652 -0.088 25776 12325 1 16 . 1 1 118 118 TYR H H 118 8.989 8.989 8.091 0.898 25776 12326 1 16 . 1 1 119 119 THR N N 119 124.319 124.319 118.715 5.604 25776 12327 1 16 . 1 1 119 119 THR C C 119 171.231 171.231 173.484 -2.253 25776 12328 1 16 . 1 1 119 119 THR CA C 119 62.951 62.951 60.739 2.212 25776 12329 1 16 . 1 1 119 119 THR CB C 119 72.427 72.427 69.484 2.943 25776 12330 1 16 . 1 1 119 119 THR H H 119 8.806 8.806 7.608 1.198 25776 12331 1 16 . 1 1 120 120 THR N N 120 119.978 119.978 120.593 -0.615 25776 12332 1 16 . 1 1 120 120 THR C C 120 171.174 171.174 173.167 -1.993 25776 12333 1 16 . 1 1 120 120 THR CA C 120 59.197 59.197 62.057 -2.860 25776 12334 1 16 . 1 1 120 120 THR CB C 120 72.088 72.088 69.499 2.589 25776 12335 1 16 . 1 1 120 120 THR H H 120 7.559 7.559 8.536 -0.977 25776 12336 1 16 . 1 1 121 121 PHE C C 121 175.289 175.289 174.344 0.945 25776 12337 1 16 . 1 1 121 121 PHE CB C 121 44.369 44.369 42.094 2.275 25776 12338 1 16 . 1 1 122 122 PHE N N 122 117.578 117.578 121.416 -3.838 25776 12339 1 16 . 1 1 122 122 PHE C C 122 172.555 172.555 175.127 -2.572 25776 12340 1 16 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.174 -0.290 25776 12341 1 16 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.427 -0.196 25776 12342 1 16 . 1 1 122 122 PHE H H 122 8.541 8.541 8.185 0.356 25776 12343 1 16 . 1 1 123 123 ASP N N 123 116.448 116.448 120.400 -3.952 25776 12344 1 16 . 1 1 123 123 ASP C C 123 175.240 175.240 176.212 -0.972 25776 12345 1 16 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.524 1.310 25776 12346 1 16 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.060 -2.216 25776 12347 1 16 . 1 1 123 123 ASP H H 123 8.940 8.940 8.782 0.158 25776 12348 1 16 . 1 1 124 124 GLU C C 124 177.545 177.545 176.291 1.254 25776 12349 1 16 . 1 1 124 124 GLU CA C 124 59.890 59.890 58.147 1.743 25776 12350 1 16 . 1 1 124 124 GLU CB C 124 29.458 29.458 29.439 0.019 25776 12351 1 16 . 1 1 125 125 ASP N N 125 126.424 126.424 118.214 8.210 25776 12352 1 16 . 1 1 125 125 ASP C C 125 176.191 176.191 175.319 0.872 25776 12353 1 16 . 1 1 125 125 ASP CA C 125 54.011 54.011 52.954 1.057 25776 12354 1 16 . 1 1 125 125 ASP CB C 125 43.549 43.549 40.032 3.517 25776 12355 1 16 . 1 1 125 125 ASP H H 125 9.100 9.100 8.523 0.577 25776 12356 1 16 . 1 1 126 126 LEU N N 126 127.990 127.990 121.581 6.409 25776 12357 1 16 . 1 1 126 126 LEU C C 126 175.808 175.808 176.427 -0.619 25776 12358 1 16 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.891 1.377 25776 12359 1 16 . 1 1 126 126 LEU CB C 126 44.856 44.856 43.041 1.815 25776 12360 1 16 . 1 1 126 126 LEU H H 126 8.570 8.570 7.402 1.168 25776 12361 1 16 . 1 1 127 127 ALA N N 127 124.126 124.126 124.697 -0.571 25776 12362 1 16 . 1 1 127 127 ALA C C 127 179.833 179.833 176.444 3.389 25776 12363 1 16 . 1 1 127 127 ALA CA C 127 52.721 52.721 51.641 1.080 25776 12364 1 16 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.708 0.351 25776 12365 1 16 . 1 1 127 127 ALA H H 127 7.885 7.885 8.229 -0.344 25776 12366 1 16 . 1 1 129 129 ASN C C 129 176.927 176.927 176.195 0.732 25776 12367 1 16 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.183 -1.710 25776 12368 1 16 . 1 1 130 130 ARG N N 130 117.748 117.748 125.758 -8.010 25776 12369 1 16 . 1 1 130 130 ARG C C 130 179.430 179.430 177.642 1.788 25776 12370 1 16 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.833 -1.990 25776 12371 1 16 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.555 -0.229 25776 12372 1 16 . 1 1 130 130 ARG H H 130 7.435 7.435 8.910 -1.475 25776 12373 1 16 . 1 1 131 131 LYS N N 131 122.261 122.261 118.828 3.433 25776 12374 1 16 . 1 1 131 131 LYS C C 131 180.937 180.937 177.893 3.044 25776 12375 1 16 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.759 1.702 25776 12376 1 16 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.958 0.953 25776 12377 1 16 . 1 1 131 131 LYS H H 131 7.945 7.945 8.343 -0.398 25776 12378 1 16 . 1 1 132 132 ALA N N 132 122.083 122.083 121.488 0.595 25776 12379 1 16 . 1 1 132 132 ALA C C 132 178.748 178.748 179.396 -0.648 25776 12380 1 16 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.201 1.168 25776 12381 1 16 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.902 1.227 25776 12382 1 16 . 1 1 132 132 ALA H H 132 7.770 7.770 8.138 -0.368 25776 12383 1 16 . 1 1 133 133 GLN N N 133 116.102 116.102 118.150 -2.048 25776 12384 1 16 . 1 1 133 133 GLN C C 133 175.525 175.525 176.133 -0.608 25776 12385 1 16 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.498 0.600 25776 12386 1 16 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.321 1.034 25776 12387 1 16 . 1 1 133 133 GLN H H 133 7.302 7.302 7.972 -0.670 25776 12388 1 16 . 1 1 134 134 GLY N N 134 104.444 104.444 105.546 -1.102 25776 12389 1 16 . 1 1 134 134 GLY C C 134 174.460 174.460 174.037 0.423 25776 12390 1 16 . 1 1 134 134 GLY CA C 134 45.882 45.882 44.415 1.467 25776 12391 1 16 . 1 1 134 134 GLY H H 134 7.596 7.596 7.454 0.142 25776 12392 1 16 . 1 1 135 135 PHE N N 135 119.775 119.775 121.416 -1.641 25776 12393 1 16 . 1 1 135 135 PHE C C 135 174.922 174.922 175.106 -0.184 25776 12394 1 16 . 1 1 135 135 PHE CA C 135 58.894 58.894 58.248 0.646 25776 12395 1 16 . 1 1 135 135 PHE CB C 135 40.291 40.291 38.854 1.437 25776 12396 1 16 . 1 1 135 135 PHE H H 135 7.737 7.737 7.687 0.050 25776 12397 1 16 . 1 1 136 136 SER N N 136 115.673 115.673 120.821 -5.148 25776 12398 1 16 . 1 1 136 136 SER C C 136 174.415 174.415 173.654 0.761 25776 12399 1 16 . 1 1 136 136 SER CA C 136 59.679 59.679 58.285 1.394 25776 12400 1 16 . 1 1 136 136 SER CB C 136 66.246 66.246 64.686 1.560 25776 12401 1 16 . 1 1 136 136 SER H H 136 8.862 8.862 8.837 0.025 25776 12402 1 16 . 1 1 137 137 SER N N 137 114.341 114.341 116.420 -2.079 25776 12403 1 16 . 1 1 137 137 SER C C 137 172.164 172.164 174.245 -2.081 25776 12404 1 16 . 1 1 137 137 SER CA C 137 58.955 58.955 58.242 0.713 25776 12405 1 16 . 1 1 137 137 SER CB C 137 65.592 65.592 64.394 1.198 25776 12406 1 16 . 1 1 137 137 SER H H 137 7.912 7.912 8.140 -0.228 25776 12407 1 16 . 1 1 138 138 MET N N 138 120.555 120.555 119.335 1.220 25776 12408 1 16 . 1 1 138 138 MET C C 138 173.189 173.189 174.793 -1.604 25776 12409 1 16 . 1 1 138 138 MET CA C 138 55.879 55.879 56.010 -0.130 25776 12410 1 16 . 1 1 138 138 MET CB C 138 36.962 36.962 32.122 4.840 25776 12411 1 16 . 1 1 138 138 MET H H 138 8.461 8.461 8.763 -0.302 25776 12412 1 16 . 1 1 141 141 GLN C C 141 176.182 176.182 174.939 1.243 25776 12413 1 16 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.614 1.821 25776 12414 1 16 . 1 1 142 142 ASP N N 142 124.414 124.414 120.743 3.671 25776 12415 1 16 . 1 1 142 142 ASP C C 142 175.702 175.702 174.271 1.431 25776 12416 1 16 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.240 2.067 25776 12417 1 16 . 1 1 142 142 ASP CB C 142 41.738 41.738 40.673 1.065 25776 12418 1 16 . 1 1 142 142 ASP H H 142 8.728 8.728 8.526 0.202 25776 12419 1 16 . 1 1 143 143 SER N N 143 114.920 114.920 117.602 -2.682 25776 12420 1 16 . 1 1 143 143 SER C C 143 172.289 172.289 172.067 0.222 25776 12421 1 16 . 1 1 143 143 SER CA C 143 57.652 57.652 57.662 -0.010 25776 12422 1 16 . 1 1 143 143 SER CB C 143 66.215 66.215 65.117 1.098 25776 12423 1 16 . 1 1 143 143 SER H H 143 8.703 8.703 8.049 0.654 25776 12424 1 16 . 1 1 144 144 TRP N N 144 126.444 126.444 122.285 4.159 25776 12425 1 16 . 1 1 144 144 TRP C C 144 177.307 177.307 176.037 1.270 25776 12426 1 16 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.851 0.024 25776 12427 1 16 . 1 1 144 144 TRP CB C 144 33.364 33.364 33.195 0.169 25776 12428 1 16 . 1 1 144 144 TRP H H 144 8.101 8.101 8.582 -0.481 25776 12429 1 16 . 1 1 145 145 GLY N N 145 108.757 108.757 110.464 -1.707 25776 12430 1 16 . 1 1 145 145 GLY C C 145 171.985 171.985 172.870 -0.885 25776 12431 1 16 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.782 2.766 25776 12432 1 16 . 1 1 145 145 GLY H H 145 8.889 8.889 8.421 0.468 25776 12433 1 16 . 1 1 146 146 LEU N N 146 121.579 121.579 125.822 -4.243 25776 12434 1 16 . 1 1 146 146 LEU C C 146 174.909 174.909 177.029 -2.120 25776 12435 1 16 . 1 1 146 146 LEU CA C 146 56.175 56.175 55.257 0.918 25776 12436 1 16 . 1 1 146 146 LEU CB C 146 45.163 45.163 41.526 3.637 25776 12437 1 16 . 1 1 146 146 LEU H H 146 9.035 9.035 8.760 0.275 25776 12438 1 16 . 1 1 147 147 ALA N N 147 121.342 121.342 128.366 -7.024 25776 12439 1 16 . 1 1 147 147 ALA C C 147 175.588 175.588 176.453 -0.865 25776 12440 1 16 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.711 1.224 25776 12441 1 16 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.496 2.609 25776 12442 1 16 . 1 1 147 147 ALA H H 147 8.123 8.123 8.534 -0.411 25776 12443 1 16 . 1 1 148 148 GLY N N 148 106.598 106.598 105.316 1.282 25776 12444 1 16 . 1 1 148 148 GLY C C 148 171.829 171.829 172.688 -0.859 25776 12445 1 16 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.158 0.590 25776 12446 1 16 . 1 1 148 148 GLY H H 148 9.216 9.216 7.819 1.397 25776 12447 1 16 . 1 1 149 149 GLU N N 149 122.775 122.775 122.004 0.771 25776 12448 1 16 . 1 1 149 149 GLU C C 149 174.078 174.078 174.543 -0.465 25776 12449 1 16 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.806 -0.004 25776 12450 1 16 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.669 4.745 25776 12451 1 16 . 1 1 149 149 GLU H H 149 8.493 8.493 8.186 0.307 25776 12452 1 16 . 1 1 150 150 LEU N N 150 126.310 126.310 121.254 5.056 25776 12453 1 16 . 1 1 150 150 LEU C C 150 174.309 174.309 174.436 -0.127 25776 12454 1 16 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.056 0.886 25776 12455 1 16 . 1 1 150 150 LEU CB C 150 48.491 48.491 44.928 3.563 25776 12456 1 16 . 1 1 150 150 LEU H H 150 8.580 8.580 8.078 0.502 25776 12457 1 16 . 1 1 151 151 GLY N N 151 109.909 109.909 108.006 1.903 25776 12458 1 16 . 1 1 151 151 GLY C C 151 170.538 170.538 171.576 -1.038 25776 12459 1 16 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.703 0.917 25776 12460 1 16 . 1 1 151 151 GLY H H 151 8.115 8.115 7.943 0.172 25776 12461 1 16 . 1 1 152 152 PHE N N 152 111.012 111.012 114.176 -3.164 25776 12462 1 16 . 1 1 152 152 PHE C C 152 171.455 171.455 173.222 -1.767 25776 12463 1 16 . 1 1 152 152 PHE CA C 152 58.712 58.712 55.404 3.308 25776 12464 1 16 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.009 0.486 25776 12465 1 16 . 1 1 152 152 PHE H H 152 8.365 8.365 7.860 0.505 25776 12466 1 16 . 1 1 153 153 ASP N N 153 119.057 119.057 120.078 -1.021 25776 12467 1 16 . 1 1 153 153 ASP C C 153 176.522 176.522 174.423 2.099 25776 12468 1 16 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.896 -0.430 25776 12469 1 16 . 1 1 153 153 ASP CB C 153 45.097 45.097 44.187 0.910 25776 12470 1 16 . 1 1 153 153 ASP H H 153 8.014 8.014 8.105 -0.091 25776 12471 1 16 . 1 1 154 154 TYR N N 154 123.640 123.640 125.466 -1.826 25776 12472 1 16 . 1 1 154 154 TYR C C 154 175.593 175.593 174.546 1.047 25776 12473 1 16 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.505 1.383 25776 12474 1 16 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.884 3.938 25776 12475 1 16 . 1 1 154 154 TYR H H 154 9.744 9.744 8.840 0.904 25776 12476 1 16 . 1 1 155 155 MET N N 155 126.409 126.409 121.739 4.670 25776 12477 1 16 . 1 1 155 155 MET C C 155 174.938 174.938 174.844 0.094 25776 12478 1 16 . 1 1 155 155 MET CA C 155 55.410 55.410 55.858 -0.448 25776 12479 1 16 . 1 1 155 155 MET CB C 155 29.170 29.170 33.349 -4.179 25776 12480 1 16 . 1 1 155 155 MET H H 155 8.659 8.659 8.008 0.651 25776 12481 1 16 . 1 1 156 156 LEU N N 156 125.396 125.396 121.762 3.634 25776 12482 1 16 . 1 1 156 156 LEU C C 156 177.567 177.567 177.620 -0.053 25776 12483 1 16 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.247 1.326 25776 12484 1 16 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.159 0.753 25776 12485 1 16 . 1 1 156 156 LEU H H 156 9.232 9.232 8.266 0.966 25776 12486 1 16 . 1 1 157 157 ASN N N 157 114.903 114.903 115.193 -0.290 25776 12487 1 16 . 1 1 157 157 ASN C C 157 173.568 173.568 175.700 -2.132 25776 12488 1 16 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.039 -1.847 25776 12489 1 16 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.608 1.304 25776 12490 1 16 . 1 1 157 157 ASN H H 157 8.099 8.099 8.047 0.052 25776 12491 1 16 . 1 1 158 158 GLU N N 158 114.724 114.724 118.603 -3.879 25776 12492 1 16 . 1 1 158 158 GLU C C 158 176.032 176.032 177.615 -1.583 25776 12493 1 16 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.078 2.600 25776 12494 1 16 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.459 0.056 25776 12495 1 16 . 1 1 158 158 GLU H H 158 8.625 8.625 8.467 0.158 25776 12496 1 16 . 1 1 159 159 HIS N N 159 111.022 111.022 115.320 -4.298 25776 12497 1 16 . 1 1 159 159 HIS C C 159 173.158 173.158 173.674 -0.516 25776 12498 1 16 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.742 0.694 25776 12499 1 16 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.980 1.411 25776 12500 1 16 . 1 1 159 159 HIS H H 159 8.201 8.201 8.255 -0.054 25776 12501 1 16 . 1 1 160 160 ALA N N 160 122.967 122.967 120.264 2.703 25776 12502 1 16 . 1 1 160 160 ALA C C 160 176.212 176.212 175.052 1.160 25776 12503 1 16 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.660 0.662 25776 12504 1 16 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.120 1.306 25776 12505 1 16 . 1 1 160 160 ALA H H 160 8.389 8.389 7.657 0.732 25776 12506 1 16 . 1 1 161 161 LEU N N 161 116.648 116.648 117.971 -1.323 25776 12507 1 16 . 1 1 161 161 LEU C C 161 174.922 174.922 175.894 -0.972 25776 12508 1 16 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.839 1.046 25776 12509 1 16 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.528 1.967 25776 12510 1 16 . 1 1 161 161 LEU H H 161 8.616 8.616 7.761 0.855 25776 12511 1 16 . 1 1 162 162 PHE N N 162 121.938 121.938 121.348 0.590 25776 12512 1 16 . 1 1 162 162 PHE C C 162 171.989 171.989 174.005 -2.016 25776 12513 1 16 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.983 0.035 25776 12514 1 16 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.630 1.459 25776 12515 1 16 . 1 1 162 162 PHE H H 162 9.221 9.221 8.446 0.775 25776 12516 1 16 . 1 1 163 163 ASN N N 163 127.932 127.932 123.640 4.292 25776 12517 1 16 . 1 1 163 163 ASN C C 163 171.357 171.357 172.552 -1.195 25776 12518 1 16 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.667 0.282 25776 12519 1 16 . 1 1 163 163 ASN CB C 163 47.040 47.040 42.564 4.476 25776 12520 1 16 . 1 1 163 163 ASN H H 163 7.735 7.735 7.655 0.080 25776 12521 1 16 . 1 1 164 164 MET N N 164 120.121 120.121 122.898 -2.777 25776 12522 1 16 . 1 1 164 164 MET C C 164 172.837 172.837 172.759 0.078 25776 12523 1 16 . 1 1 164 164 MET CA C 164 55.914 55.914 55.190 0.724 25776 12524 1 16 . 1 1 164 164 MET CB C 164 38.643 38.643 36.620 2.022 25776 12525 1 16 . 1 1 164 164 MET H H 164 7.092 7.092 8.337 -1.245 25776 12526 1 16 . 1 1 165 165 ALA N N 165 120.745 120.745 123.367 -2.622 25776 12527 1 16 . 1 1 165 165 ALA C C 165 174.047 174.047 174.911 -0.864 25776 12528 1 16 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.335 1.079 25776 12529 1 16 . 1 1 165 165 ALA CB C 165 23.143 23.143 21.608 1.535 25776 12530 1 16 . 1 1 165 165 ALA H H 165 8.370 8.370 8.310 0.060 25776 12531 1 16 . 1 1 166 166 VAL N N 166 118.385 118.385 118.882 -0.497 25776 12532 1 16 . 1 1 166 166 VAL C C 166 172.556 172.556 174.678 -2.122 25776 12533 1 16 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.590 0.038 25776 12534 1 16 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.424 2.703 25776 12535 1 16 . 1 1 166 166 VAL H H 166 8.723 8.723 8.811 -0.088 25776 12536 1 16 . 1 1 167 167 TRP N N 167 123.258 123.258 128.261 -5.003 25776 12537 1 16 . 1 1 167 167 TRP C C 167 174.016 174.016 175.227 -1.211 25776 12538 1 16 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.184 2.420 25776 12539 1 16 . 1 1 167 167 TRP CB C 167 33.659 33.659 29.349 4.310 25776 12540 1 16 . 1 1 167 167 TRP H H 167 9.312 9.312 8.278 1.034 25776 12541 1 16 . 1 1 168 168 TYR N N 168 121.455 121.455 127.669 -6.214 25776 12542 1 16 . 1 1 168 168 TYR C C 168 175.110 175.110 176.138 -1.028 25776 12543 1 16 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.925 -0.739 25776 12544 1 16 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.789 1.651 25776 12545 1 16 . 1 1 168 168 TYR H H 168 8.398 8.398 8.113 0.285 25776 12546 1 16 . 1 1 169 169 MET N N 169 124.800 124.800 122.848 1.952 25776 12547 1 16 . 1 1 169 169 MET C C 169 172.688 172.688 175.274 -2.586 25776 12548 1 16 . 1 1 169 169 MET CA C 169 55.640 55.640 55.527 0.113 25776 12549 1 16 . 1 1 169 169 MET CB C 169 34.143 34.143 33.210 0.933 25776 12550 1 16 . 1 1 169 169 MET H H 169 8.131 8.131 7.432 0.699 25776 12551 1 16 . 1 1 170 170 ASP N N 170 122.780 122.780 119.191 3.589 25776 12552 1 16 . 1 1 170 170 ASP C C 170 174.864 174.864 175.513 -0.649 25776 12553 1 16 . 1 1 170 170 ASP CA C 170 54.883 54.883 52.153 2.730 25776 12554 1 16 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.635 -0.956 25776 12555 1 16 . 1 1 170 170 ASP H H 170 8.191 8.191 8.071 0.120 25776 12556 1 16 . 1 1 171 171 ILE N N 171 127.252 127.252 119.462 7.790 25776 12557 1 16 . 1 1 171 171 ILE C C 171 174.476 174.476 174.959 -0.483 25776 12558 1 16 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.993 -0.050 25776 12559 1 16 . 1 1 171 171 ILE CB C 171 40.521 40.521 37.046 3.475 25776 12560 1 16 . 1 1 171 171 ILE H H 171 7.805 7.805 8.469 -0.664 25776 12561 1 16 . 1 1 172 172 ASP N N 172 129.369 129.369 126.300 3.069 25776 12562 1 16 . 1 1 172 172 ASP C C 172 174.520 174.520 175.609 -1.089 25776 12563 1 16 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.101 0.700 25776 12564 1 16 . 1 1 172 172 ASP CB C 172 43.089 43.089 44.242 -1.153 25776 12565 1 16 . 1 1 172 172 ASP H H 172 8.541 8.541 8.510 0.031 25776 12566 1 16 . 1 1 173 173 THR N N 173 118.920 118.920 115.199 3.721 25776 12567 1 16 . 1 1 173 173 THR C C 173 172.170 172.170 175.092 -2.922 25776 12568 1 16 . 1 1 173 173 THR CA C 173 60.936 60.936 62.707 -1.771 25776 12569 1 16 . 1 1 173 173 THR CB C 173 70.002 70.002 69.055 0.947 25776 12570 1 16 . 1 1 173 173 THR H H 173 8.814 8.814 8.477 0.337 25776 12571 1 16 . 1 1 176 176 SER C C 176 174.672 174.672 173.781 0.891 25776 12572 1 16 . 1 1 176 176 SER CA C 176 58.834 58.834 58.178 0.656 25776 12573 1 16 . 1 1 176 176 SER CB C 176 64.984 64.984 62.826 2.158 25776 12574 1 16 . 1 1 177 177 ILE N N 177 121.645 121.645 117.385 4.260 25776 12575 1 16 . 1 1 177 177 ILE C C 177 174.945 174.945 174.102 0.843 25776 12576 1 16 . 1 1 177 177 ILE CA C 177 62.346 62.346 59.326 3.020 25776 12577 1 16 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.885 0.254 25776 12578 1 16 . 1 1 177 177 ILE H H 177 7.993 7.993 7.310 0.683 25776 12579 1 16 . 1 1 178 178 ASN N N 178 127.223 127.223 119.417 7.806 25776 12580 1 16 . 1 1 178 178 ASN C C 178 179.120 179.120 174.946 4.174 25776 12581 1 16 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.005 2.658 25776 12582 1 16 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.065 2.854 25776 12583 1 16 . 1 1 178 178 ASN H H 178 7.882 7.882 8.492 -0.610 25776 12584 1 16 . 1 1 182 182 ALA N N 182 124.095 124.095 127.430 -3.335 25776 12585 1 16 . 1 1 182 182 ALA C C 182 177.680 177.680 176.717 0.963 25776 12586 1 16 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.428 2.788 25776 12587 1 16 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.417 -0.648 25776 12588 1 16 . 1 1 182 182 ALA H H 182 8.100 8.100 8.335 -0.235 25776 12589 1 16 . 1 1 183 183 LEU N N 183 118.394 118.394 122.705 -4.311 25776 12590 1 16 . 1 1 183 183 LEU C C 183 177.352 177.352 177.251 0.101 25776 12591 1 16 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.269 0.558 25776 12592 1 16 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.338 0.846 25776 12593 1 16 . 1 1 183 183 LEU H H 183 7.854 7.854 8.533 -0.679 25776 12594 1 16 . 1 1 184 184 GLY N N 184 107.897 107.897 112.770 -4.873 25776 12595 1 16 . 1 1 184 184 GLY C C 184 174.288 174.288 172.732 1.556 25776 12596 1 16 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.987 1.689 25776 12597 1 16 . 1 1 184 184 GLY H H 184 7.883 7.883 8.330 -0.447 25776 12598 1 16 . 1 1 185 185 VAL N N 185 118.254 118.254 118.314 -0.060 25776 12599 1 16 . 1 1 185 185 VAL C C 185 175.475 175.475 174.753 0.722 25776 12600 1 16 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.696 1.352 25776 12601 1 16 . 1 1 185 185 VAL CB C 185 33.471 33.471 34.051 -0.580 25776 12602 1 16 . 1 1 185 185 VAL H H 185 7.676 7.676 8.090 -0.414 25776 12603 1 16 . 1 1 186 186 ASN N N 186 121.756 121.756 122.556 -0.800 25776 12604 1 16 . 1 1 186 186 ASN C C 186 174.724 174.724 174.143 0.581 25776 12605 1 16 . 1 1 186 186 ASN CA C 186 54.593 54.593 52.893 1.700 25776 12606 1 16 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.243 0.654 25776 12607 1 16 . 1 1 186 186 ASN H H 186 8.331 8.331 8.675 -0.344 25776 12608 1 16 . 1 1 187 187 LYS N N 187 120.959 120.959 118.694 2.265 25776 12609 1 16 . 1 1 187 187 LYS C C 187 174.652 174.652 174.334 0.318 25776 12610 1 16 . 1 1 187 187 LYS CA C 187 57.198 57.198 55.573 1.625 25776 12611 1 16 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.095 -0.052 25776 12612 1 16 . 1 1 187 187 LYS H H 187 8.031 8.031 8.495 -0.464 25776 12613 1 16 . 1 1 189 189 LYS C C 189 176.088 176.088 175.637 0.451 25776 12614 1 16 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.499 1.943 25776 12615 1 16 . 1 1 190 190 VAL N N 190 121.122 121.122 120.598 0.524 25776 12616 1 16 . 1 1 190 190 VAL C C 190 175.545 175.545 175.434 0.111 25776 12617 1 16 . 1 1 190 190 VAL CA C 190 63.121 63.121 63.739 -0.619 25776 12618 1 16 . 1 1 190 190 VAL CB C 190 33.948 33.948 31.781 2.167 25776 12619 1 16 . 1 1 190 190 VAL H H 190 8.067 8.067 7.986 0.081 25776 12620 1 16 . 1 1 191 191 ASP N N 191 124.022 124.022 120.472 3.550 25776 12621 1 16 . 1 1 191 191 ASP C C 191 175.710 175.710 175.951 -0.241 25776 12622 1 16 . 1 1 191 191 ASP CA C 191 55.269 55.269 55.054 0.215 25776 12623 1 16 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.304 0.673 25776 12624 1 16 . 1 1 191 191 ASP H H 191 8.282 8.282 8.552 -0.270 25776 12625 1 16 . 1 1 192 192 VAL N N 192 118.928 118.928 119.937 -1.009 25776 12626 1 16 . 1 1 192 192 VAL C C 192 175.433 175.433 175.182 0.251 25776 12627 1 16 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.665 -0.845 25776 12628 1 16 . 1 1 192 192 VAL CB C 192 34.105 34.105 30.580 3.525 25776 12629 1 16 . 1 1 192 192 VAL H H 192 7.877 7.877 8.619 -0.742 25776 12630 1 16 . 1 1 193 193 ASP N N 193 124.364 124.364 123.245 1.119 25776 12631 1 16 . 1 1 193 193 ASP C C 193 176.118 176.118 176.676 -0.558 25776 12632 1 16 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.894 -0.683 25776 12633 1 16 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.689 0.344 25776 12634 1 16 . 1 1 193 193 ASP H H 193 8.335 8.335 8.609 -0.274 25776 12635 1 16 . 1 1 198 198 VAL N N 198 126.400 126.400 120.760 5.640 25776 12636 1 16 . 1 1 198 198 VAL C C 198 174.600 174.600 175.375 -0.775 25776 12637 1 16 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.565 -1.125 25776 12638 1 16 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.469 1.631 25776 12639 1 16 . 1 1 198 198 VAL H H 198 8.474 8.474 8.117 0.357 25776 12640 1 16 . 1 1 199 199 TYR N N 199 123.900 123.900 122.784 1.116 25776 12641 1 16 . 1 1 199 199 TYR C C 199 173.600 173.600 175.075 -1.475 25776 12642 1 16 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.631 -2.121 25776 12643 1 16 . 1 1 199 199 TYR CB C 199 40.630 40.630 39.288 1.341 25776 12644 1 16 . 1 1 199 199 TYR H H 199 8.748 8.748 8.534 0.214 25776 12645 1 16 . 1 1 200 200 MET N N 200 123.700 123.700 124.776 -1.076 25776 12646 1 16 . 1 1 200 200 MET CA C 200 49.420 49.420 53.657 -4.237 25776 12647 1 16 . 1 1 200 200 MET H H 200 9.057 9.057 7.917 1.140 25776 12648 1 16 . 1 1 201 201 ILE C C 201 174.016 174.016 174.762 -0.746 25776 12649 1 16 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.628 0.846 25776 12650 1 16 . 1 1 201 201 ILE CB C 201 42.435 42.435 39.406 3.029 25776 12651 1 16 . 1 1 202 202 GLY N N 202 113.215 113.215 110.259 2.956 25776 12652 1 16 . 1 1 202 202 GLY C C 202 170.124 170.124 172.119 -1.995 25776 12653 1 16 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.584 3.976 25776 12654 1 16 . 1 1 202 202 GLY H H 202 8.646 8.646 8.200 0.446 25776 12655 1 16 . 1 1 203 203 PHE N N 203 116.782 116.782 116.724 0.058 25776 12656 1 16 . 1 1 203 203 PHE C C 203 174.063 174.063 175.225 -1.162 25776 12657 1 16 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.341 0.110 25776 12658 1 16 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.312 2.387 25776 12659 1 16 . 1 1 203 203 PHE H H 203 8.482 8.482 8.462 0.020 25776 12660 1 16 . 1 1 204 204 GLY N N 204 105.936 105.936 105.803 0.133 25776 12661 1 16 . 1 1 204 204 GLY C C 204 171.097 171.097 172.027 -0.930 25776 12662 1 16 . 1 1 204 204 GLY CA C 204 47.474 47.474 43.804 3.670 25776 12663 1 16 . 1 1 204 204 GLY H H 204 9.003 9.003 7.930 1.073 25776 12664 1 16 . 1 1 205 205 TYR N N 205 121.196 121.196 116.980 4.216 25776 12665 1 16 . 1 1 205 205 TYR C C 205 172.994 172.994 174.054 -1.060 25776 12666 1 16 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.207 0.479 25776 12667 1 16 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.891 1.299 25776 12668 1 16 . 1 1 205 205 TYR H H 205 9.413 9.413 8.733 0.680 25776 12669 1 16 . 1 1 206 206 LYS N N 206 126.788 126.788 122.076 4.712 25776 12670 1 16 . 1 1 206 206 LYS C C 206 174.161 174.161 175.234 -1.073 25776 12671 1 16 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.921 -0.491 25776 12672 1 16 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.494 1.931 25776 12673 1 16 . 1 1 206 206 LYS H H 206 8.364 8.364 8.545 -0.181 25776 12674 1 16 . 1 1 207 207 PHE N N 207 126.168 126.168 123.941 2.227 25776 12675 1 16 . 1 1 207 207 PHE C C 207 175.094 175.094 174.173 0.921 25776 12676 1 16 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.209 1.481 25776 12677 1 16 . 1 1 207 207 PHE CB C 207 41.663 41.663 43.116 -1.453 25776 12678 1 16 . 1 1 207 207 PHE H H 207 9.308 9.308 8.361 0.947 25776 12679 1 16 . 1 1 208 208 LEU N N 208 123.199 123.199 120.901 2.298 25776 12680 1 16 . 1 1 208 208 LEU C C 208 176.580 176.580 176.196 0.384 25776 12681 1 16 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.755 0.716 25776 12682 1 16 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.180 1.533 25776 12683 1 16 . 1 1 208 208 LEU H H 208 8.376 8.376 8.600 -0.224 25776 12684 1 16 . 1 1 209 209 GLU N N 209 121.960 121.960 121.408 0.552 25776 12685 1 16 . 1 1 209 209 GLU C C 209 176.226 176.226 175.102 1.124 25776 12686 1 16 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.493 1.239 25776 12687 1 16 . 1 1 209 209 GLU CB C 209 31.453 31.453 31.627 -0.174 25776 12688 1 16 . 1 1 209 209 GLU H H 209 8.500 8.500 8.603 -0.103 25776 12689 1 17 . 1 1 2 2 HIS C C 2 175.393 175.393 174.334 1.059 25776 12690 1 17 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.151 -1.347 25776 12691 1 17 . 1 1 2 2 HIS CB C 2 30.780 30.780 29.747 1.033 25776 12692 1 17 . 1 1 3 3 LYS N N 3 121.908 121.908 122.213 -0.305 25776 12693 1 17 . 1 1 3 3 LYS C C 3 173.475 173.475 174.362 -0.887 25776 12694 1 17 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.972 -0.945 25776 12695 1 17 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.987 -0.787 25776 12696 1 17 . 1 1 3 3 LYS H H 3 8.608 8.608 8.380 0.228 25776 12697 1 17 . 1 1 4 4 ALA N N 4 120.771 120.771 122.608 -1.837 25776 12698 1 17 . 1 1 4 4 ALA C C 4 178.118 178.118 178.110 0.008 25776 12699 1 17 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.651 0.788 25776 12700 1 17 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.596 -0.548 25776 12701 1 17 . 1 1 4 4 ALA H H 4 8.581 8.581 8.178 0.403 25776 12702 1 17 . 1 1 5 5 GLY N N 5 112.807 112.807 113.565 -0.758 25776 12703 1 17 . 1 1 5 5 GLY C C 5 173.788 173.788 174.285 -0.497 25776 12704 1 17 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.637 0.183 25776 12705 1 17 . 1 1 5 5 GLY H H 5 9.170 9.170 8.130 1.040 25776 12706 1 17 . 1 1 6 6 ASP N N 6 121.504 121.504 120.818 0.686 25776 12707 1 17 . 1 1 6 6 ASP C C 6 174.307 174.307 174.905 -0.598 25776 12708 1 17 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.417 0.401 25776 12709 1 17 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.636 -0.062 25776 12710 1 17 . 1 1 6 6 ASP H H 6 7.619 7.619 7.529 0.090 25776 12711 1 17 . 1 1 7 7 PHE N N 7 121.212 121.212 123.459 -2.247 25776 12712 1 17 . 1 1 7 7 PHE C C 7 174.030 174.030 174.807 -0.777 25776 12713 1 17 . 1 1 7 7 PHE CA C 7 56.601 56.601 58.657 -2.055 25776 12714 1 17 . 1 1 7 7 PHE CB C 7 43.076 43.076 38.882 4.194 25776 12715 1 17 . 1 1 7 7 PHE H H 7 8.285 8.285 8.660 -0.375 25776 12716 1 17 . 1 1 8 8 ILE N N 8 128.185 128.185 123.029 5.156 25776 12717 1 17 . 1 1 8 8 ILE C C 8 173.961 173.961 174.863 -0.902 25776 12718 1 17 . 1 1 8 8 ILE CA C 8 61.723 61.723 58.365 3.358 25776 12719 1 17 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.062 2.607 25776 12720 1 17 . 1 1 8 8 ILE H H 8 9.245 9.245 8.625 0.620 25776 12721 1 17 . 1 1 9 9 ILE N N 9 125.624 125.624 122.354 3.270 25776 12722 1 17 . 1 1 9 9 ILE C C 9 173.731 173.731 174.445 -0.714 25776 12723 1 17 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.097 0.193 25776 12724 1 17 . 1 1 9 9 ILE CB C 9 42.091 42.091 41.038 1.053 25776 12725 1 17 . 1 1 9 9 ILE H H 9 8.628 8.628 8.314 0.314 25776 12726 1 17 . 1 1 10 10 ARG N N 10 125.025 125.025 126.126 -1.101 25776 12727 1 17 . 1 1 10 10 ARG C C 10 175.074 175.074 175.052 0.022 25776 12728 1 17 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.461 0.033 25776 12729 1 17 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.142 -1.370 25776 12730 1 17 . 1 1 10 10 ARG H H 10 9.225 9.225 9.260 -0.035 25776 12731 1 17 . 1 1 11 11 GLY N N 11 106.141 106.141 110.116 -3.975 25776 12732 1 17 . 1 1 11 11 GLY C C 11 171.959 171.959 172.712 -0.753 25776 12733 1 17 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.897 -0.690 25776 12734 1 17 . 1 1 11 11 GLY H H 11 8.885 8.885 8.978 -0.093 25776 12735 1 17 . 1 1 12 12 GLY N N 12 107.818 107.818 108.323 -0.505 25776 12736 1 17 . 1 1 12 12 GLY C C 12 171.465 171.465 172.404 -0.939 25776 12737 1 17 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.632 2.681 25776 12738 1 17 . 1 1 12 12 GLY H H 12 8.433 8.433 7.663 0.770 25776 12739 1 17 . 1 1 13 13 PHE N N 13 120.233 120.233 117.408 2.825 25776 12740 1 17 . 1 1 13 13 PHE C C 13 174.056 174.056 174.622 -0.566 25776 12741 1 17 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.098 1.053 25776 12742 1 17 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.137 2.488 25776 12743 1 17 . 1 1 13 13 PHE H H 13 8.606 8.606 8.409 0.197 25776 12744 1 17 . 1 1 18 18 PRO C C 18 176.552 176.552 176.220 0.332 25776 12745 1 17 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.120 0.971 25776 12746 1 17 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.228 1.421 25776 12747 1 17 . 1 1 19 19 ASP N N 19 121.094 121.094 119.315 1.779 25776 12748 1 17 . 1 1 19 19 ASP C C 19 176.047 176.047 175.793 0.254 25776 12749 1 17 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.033 1.241 25776 12750 1 17 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.047 0.996 25776 12751 1 17 . 1 1 19 19 ASP H H 19 8.372 8.372 8.503 -0.131 25776 12752 1 17 . 1 1 20 20 ASP N N 20 123.179 123.179 118.888 4.291 25776 12753 1 17 . 1 1 20 20 ASP C C 20 176.790 176.790 176.824 -0.034 25776 12754 1 17 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.452 -0.357 25776 12755 1 17 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.818 1.016 25776 12756 1 17 . 1 1 20 20 ASP H H 20 8.357 8.357 8.245 0.112 25776 12757 1 17 . 1 1 21 21 SER N N 21 117.319 117.319 114.735 2.584 25776 12758 1 17 . 1 1 21 21 SER C C 21 175.218 175.218 174.872 0.346 25776 12759 1 17 . 1 1 21 21 SER CA C 21 60.134 60.134 58.653 1.481 25776 12760 1 17 . 1 1 21 21 SER CB C 21 64.701 64.701 64.103 0.598 25776 12761 1 17 . 1 1 21 21 SER H H 21 8.398 8.398 8.095 0.303 25776 12762 1 17 . 1 1 22 22 SER N N 22 117.994 117.994 118.437 -0.443 25776 12763 1 17 . 1 1 22 22 SER C C 22 174.877 174.877 173.136 1.741 25776 12764 1 17 . 1 1 22 22 SER CA C 22 59.839 59.839 57.853 1.986 25776 12765 1 17 . 1 1 22 22 SER CB C 22 64.669 64.669 65.205 -0.536 25776 12766 1 17 . 1 1 22 22 SER H H 22 8.314 8.314 8.048 0.266 25776 12767 1 17 . 1 1 23 23 SER N N 23 117.809 117.809 115.258 2.551 25776 12768 1 17 . 1 1 23 23 SER C C 23 174.298 174.298 172.944 1.354 25776 12769 1 17 . 1 1 23 23 SER CA C 23 59.629 59.629 58.497 1.132 25776 12770 1 17 . 1 1 23 23 SER CB C 23 64.802 64.802 66.191 -1.389 25776 12771 1 17 . 1 1 23 23 SER H H 23 8.143 8.143 8.391 -0.248 25776 12772 1 17 . 1 1 24 24 ASP N N 24 122.829 122.829 125.135 -2.306 25776 12773 1 17 . 1 1 24 24 ASP C C 24 176.250 176.250 175.861 0.389 25776 12774 1 17 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.157 1.336 25776 12775 1 17 . 1 1 24 24 ASP CB C 24 41.841 41.841 40.431 1.410 25776 12776 1 17 . 1 1 24 24 ASP H H 24 8.234 8.234 8.742 -0.508 25776 12777 1 17 . 1 1 25 25 ILE N N 25 120.717 120.717 118.009 2.708 25776 12778 1 17 . 1 1 25 25 ILE C C 25 176.204 176.204 177.019 -0.815 25776 12779 1 17 . 1 1 25 25 ILE CA C 25 62.556 62.556 62.191 0.365 25776 12780 1 17 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.984 0.684 25776 12781 1 17 . 1 1 25 25 ILE H H 25 7.884 7.884 8.128 -0.244 25776 12782 1 17 . 1 1 26 26 LYS N N 26 124.527 124.527 120.701 3.826 25776 12783 1 17 . 1 1 26 26 LYS C C 26 176.616 176.616 176.013 0.603 25776 12784 1 17 . 1 1 26 26 LYS CA C 26 57.192 57.192 57.028 0.164 25776 12785 1 17 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.683 0.126 25776 12786 1 17 . 1 1 26 26 LYS H H 26 8.164 8.164 8.200 -0.036 25776 12787 1 17 . 1 1 27 27 LEU N N 27 123.292 123.292 121.389 1.903 25776 12788 1 17 . 1 1 27 27 LEU C C 27 177.077 177.077 175.431 1.646 25776 12789 1 17 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.874 1.299 25776 12790 1 17 . 1 1 27 27 LEU CB C 27 43.317 43.317 43.658 -0.341 25776 12791 1 17 . 1 1 27 27 LEU H H 27 8.100 8.100 8.138 -0.038 25776 12792 1 17 . 1 1 28 28 ASP N N 28 121.059 121.059 124.400 -3.341 25776 12793 1 17 . 1 1 28 28 ASP C C 28 176.929 176.929 176.629 0.300 25776 12794 1 17 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.872 1.476 25776 12795 1 17 . 1 1 28 28 ASP CB C 28 42.075 42.075 42.188 -0.113 25776 12796 1 17 . 1 1 28 28 ASP H H 28 8.209 8.209 8.420 -0.211 25776 12797 1 17 . 1 1 29 29 GLY N N 29 110.032 110.032 107.754 2.278 25776 12798 1 17 . 1 1 29 29 GLY C C 29 174.364 174.364 173.463 0.901 25776 12799 1 17 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.756 2.122 25776 12800 1 17 . 1 1 29 29 GLY H H 29 8.274 8.274 8.370 -0.096 25776 12801 1 17 . 1 1 30 30 ALA N N 30 124.102 124.102 124.242 -0.140 25776 12802 1 17 . 1 1 30 30 ALA C C 30 178.005 178.005 176.314 1.691 25776 12803 1 17 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.352 2.472 25776 12804 1 17 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.638 0.489 25776 12805 1 17 . 1 1 30 30 ALA H H 30 8.085 8.085 8.209 -0.124 25776 12806 1 17 . 1 1 31 31 LYS N N 31 119.810 119.810 122.342 -2.532 25776 12807 1 17 . 1 1 31 31 LYS C C 31 176.650 176.650 176.454 0.196 25776 12808 1 17 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.767 0.705 25776 12809 1 17 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.414 0.534 25776 12810 1 17 . 1 1 31 31 LYS H H 31 8.075 8.075 8.983 -0.908 25776 12811 1 17 . 1 1 32 32 GLN N N 32 121.045 121.045 118.933 2.112 25776 12812 1 17 . 1 1 32 32 GLN C C 32 175.862 175.862 176.362 -0.500 25776 12813 1 17 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.801 1.138 25776 12814 1 17 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.623 0.571 25776 12815 1 17 . 1 1 32 32 GLN H H 32 8.182 8.182 8.037 0.145 25776 12816 1 17 . 1 1 33 33 ARG N N 33 122.683 122.683 121.952 0.731 25776 12817 1 17 . 1 1 33 33 ARG C C 33 176.492 176.492 175.950 0.542 25776 12818 1 17 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.515 1.567 25776 12819 1 17 . 1 1 33 33 ARG CB C 33 31.952 31.952 31.287 0.665 25776 12820 1 17 . 1 1 33 33 ARG H H 33 8.288 8.288 8.136 0.152 25776 12821 1 17 . 1 1 36 36 LYS C C 36 176.028 176.028 176.685 -0.657 25776 12822 1 17 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.127 1.096 25776 12823 1 17 . 1 1 36 36 LYS CB C 36 34.262 34.262 34.223 0.039 25776 12824 1 17 . 1 1 37 37 ALA N N 37 125.793 125.793 125.869 -0.076 25776 12825 1 17 . 1 1 37 37 ALA C C 37 177.567 177.567 177.257 0.310 25776 12826 1 17 . 1 1 37 37 ALA CA C 37 53.568 53.568 53.444 0.124 25776 12827 1 17 . 1 1 37 37 ALA CB C 37 20.408 20.408 17.625 2.783 25776 12828 1 17 . 1 1 37 37 ALA H H 37 8.329 8.329 8.876 -0.547 25776 12829 1 17 . 1 1 38 38 THR N N 38 113.398 113.398 113.882 -0.484 25776 12830 1 17 . 1 1 38 38 THR C C 38 174.556 174.556 174.386 0.170 25776 12831 1 17 . 1 1 38 38 THR CA C 38 62.551 62.551 62.913 -0.362 25776 12832 1 17 . 1 1 38 38 THR CB C 38 71.054 71.054 68.064 2.990 25776 12833 1 17 . 1 1 38 38 THR H H 38 8.007 8.007 8.378 -0.371 25776 12834 1 17 . 1 1 39 39 VAL N N 39 120.865 120.865 118.545 2.320 25776 12835 1 17 . 1 1 39 39 VAL C C 39 175.523 175.523 175.907 -0.384 25776 12836 1 17 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.835 0.265 25776 12837 1 17 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.978 1.066 25776 12838 1 17 . 1 1 39 39 VAL H H 39 8.043 8.043 8.120 -0.077 25776 12839 1 17 . 1 1 40 40 ASP N N 40 124.053 124.053 122.268 1.785 25776 12840 1 17 . 1 1 40 40 ASP C C 40 176.132 176.132 175.827 0.305 25776 12841 1 17 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.820 0.461 25776 12842 1 17 . 1 1 40 40 ASP CB C 40 42.219 42.219 40.806 1.413 25776 12843 1 17 . 1 1 40 40 ASP H H 40 8.333 8.333 8.260 0.073 25776 12844 1 17 . 1 1 41 41 SER N N 41 115.655 115.655 118.221 -2.566 25776 12845 1 17 . 1 1 41 41 SER C C 41 174.147 174.147 173.810 0.337 25776 12846 1 17 . 1 1 41 41 SER CA C 41 59.367 59.367 58.599 0.768 25776 12847 1 17 . 1 1 41 41 SER CB C 41 65.027 65.027 65.361 -0.334 25776 12848 1 17 . 1 1 41 41 SER H H 41 8.142 8.142 8.500 -0.358 25776 12849 1 17 . 1 1 42 42 ASP N N 42 123.005 123.005 122.679 0.326 25776 12850 1 17 . 1 1 42 42 ASP C C 42 176.578 176.578 176.212 0.366 25776 12851 1 17 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.218 1.221 25776 12852 1 17 . 1 1 42 42 ASP CB C 42 42.404 42.404 39.778 2.626 25776 12853 1 17 . 1 1 42 42 ASP H H 42 8.433 8.433 8.368 0.065 25776 12854 1 17 . 1 1 43 43 THR C C 43 176.244 176.244 174.366 1.878 25776 12855 1 17 . 1 1 43 43 THR CA C 43 62.772 62.772 64.156 -1.384 25776 12856 1 17 . 1 1 43 43 THR CB C 43 71.018 71.018 69.672 1.345 25776 12857 1 17 . 1 1 44 44 GLN N N 44 123.824 123.824 119.715 4.109 25776 12858 1 17 . 1 1 44 44 GLN C C 44 177.061 177.061 173.948 3.113 25776 12859 1 17 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.464 1.815 25776 12860 1 17 . 1 1 44 44 GLN CB C 44 33.662 33.662 31.658 2.004 25776 12861 1 17 . 1 1 44 44 GLN H H 44 8.270 8.270 8.031 0.239 25776 12862 1 17 . 1 1 45 45 LEU N N 45 122.159 122.159 121.227 0.932 25776 12863 1 17 . 1 1 45 45 LEU C C 45 176.419 176.419 176.884 -0.465 25776 12864 1 17 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.255 1.863 25776 12865 1 17 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.903 -1.282 25776 12866 1 17 . 1 1 45 45 LEU H H 45 7.940 7.940 8.582 -0.642 25776 12867 1 17 . 1 1 46 46 GLY N N 46 107.861 107.861 108.695 -0.834 25776 12868 1 17 . 1 1 46 46 GLY C C 46 171.538 171.538 172.207 -0.669 25776 12869 1 17 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.324 0.451 25776 12870 1 17 . 1 1 46 46 GLY H H 46 8.566 8.566 8.238 0.328 25776 12871 1 17 . 1 1 47 47 LEU N N 47 122.959 122.959 124.044 -1.085 25776 12872 1 17 . 1 1 47 47 LEU C C 47 175.422 175.422 175.230 0.192 25776 12873 1 17 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.304 0.027 25776 12874 1 17 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.979 2.364 25776 12875 1 17 . 1 1 47 47 LEU H H 47 8.457 8.457 7.830 0.627 25776 12876 1 17 . 1 1 48 48 THR N N 48 112.144 112.144 113.044 -0.900 25776 12877 1 17 . 1 1 48 48 THR C C 48 172.347 172.347 172.947 -0.600 25776 12878 1 17 . 1 1 48 48 THR CA C 48 59.573 59.573 59.727 -0.154 25776 12879 1 17 . 1 1 48 48 THR CB C 48 72.843 72.843 72.032 0.811 25776 12880 1 17 . 1 1 48 48 THR H H 48 8.814 8.814 8.965 -0.151 25776 12881 1 17 . 1 1 49 49 PHE N N 49 118.787 118.787 121.142 -2.355 25776 12882 1 17 . 1 1 49 49 PHE C C 49 174.623 174.623 175.814 -1.191 25776 12883 1 17 . 1 1 49 49 PHE CA C 49 55.737 55.737 55.714 0.023 25776 12884 1 17 . 1 1 49 49 PHE CB C 49 42.986 42.986 39.797 3.189 25776 12885 1 17 . 1 1 49 49 PHE H H 49 8.455 8.455 8.105 0.350 25776 12886 1 17 . 1 1 50 50 THR N N 50 121.279 121.279 120.579 0.700 25776 12887 1 17 . 1 1 50 50 THR C C 50 173.272 173.272 173.286 -0.014 25776 12888 1 17 . 1 1 50 50 THR CA C 50 63.315 63.315 61.691 1.624 25776 12889 1 17 . 1 1 50 50 THR CB C 50 74.327 74.327 70.249 4.078 25776 12890 1 17 . 1 1 50 50 THR H H 50 9.372 9.372 8.921 0.451 25776 12891 1 17 . 1 1 51 51 TYR N N 51 126.005 126.005 124.126 1.879 25776 12892 1 17 . 1 1 51 51 TYR C C 51 174.837 174.837 175.868 -1.031 25776 12893 1 17 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.229 0.631 25776 12894 1 17 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.205 3.242 25776 12895 1 17 . 1 1 51 51 TYR H H 51 9.157 9.157 8.616 0.541 25776 12896 1 17 . 1 1 52 52 MET N N 52 127.601 127.601 123.825 3.776 25776 12897 1 17 . 1 1 52 52 MET C C 52 174.466 174.466 174.768 -0.302 25776 12898 1 17 . 1 1 52 52 MET CA C 52 53.171 53.171 56.922 -3.751 25776 12899 1 17 . 1 1 52 52 MET CB C 52 29.467 29.467 33.538 -4.071 25776 12900 1 17 . 1 1 52 52 MET H H 52 7.998 7.998 8.110 -0.112 25776 12901 1 17 . 1 1 53 53 PHE N N 53 123.918 123.918 125.557 -1.639 25776 12902 1 17 . 1 1 53 53 PHE C C 53 173.685 173.685 174.901 -1.216 25776 12903 1 17 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.028 1.586 25776 12904 1 17 . 1 1 53 53 PHE CB C 53 40.111 40.111 41.955 -1.843 25776 12905 1 17 . 1 1 53 53 PHE H H 53 7.762 7.762 9.049 -1.287 25776 12906 1 17 . 1 1 54 54 ALA N N 54 125.892 125.892 127.278 -1.386 25776 12907 1 17 . 1 1 54 54 ALA C C 54 174.976 174.976 176.635 -1.659 25776 12908 1 17 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.461 -2.018 25776 12909 1 17 . 1 1 54 54 ALA CB C 54 23.534 23.534 17.602 5.932 25776 12910 1 17 . 1 1 54 54 ALA H H 54 8.396 8.396 8.754 -0.358 25776 12911 1 17 . 1 1 55 55 ASP N N 55 118.951 118.951 122.685 -3.734 25776 12912 1 17 . 1 1 55 55 ASP C C 55 174.777 174.777 175.209 -0.432 25776 12913 1 17 . 1 1 55 55 ASP CA C 55 59.139 59.139 54.913 4.226 25776 12914 1 17 . 1 1 55 55 ASP CB C 55 40.948 40.948 41.926 -0.978 25776 12915 1 17 . 1 1 55 55 ASP H H 55 8.632 8.632 8.421 0.211 25776 12916 1 17 . 1 1 56 56 LYS N N 56 106.363 106.363 114.456 -8.093 25776 12917 1 17 . 1 1 56 56 LYS C C 56 174.930 174.930 174.434 0.496 25776 12918 1 17 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.398 -0.528 25776 12919 1 17 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.772 3.665 25776 12920 1 17 . 1 1 56 56 LYS H H 56 7.300 7.300 7.978 -0.678 25776 12921 1 17 . 1 1 57 57 TRP N N 57 115.784 115.784 122.786 -7.002 25776 12922 1 17 . 1 1 57 57 TRP C C 57 173.960 173.960 174.685 -0.725 25776 12923 1 17 . 1 1 57 57 TRP CA C 57 55.957 55.957 55.934 0.023 25776 12924 1 17 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.459 1.716 25776 12925 1 17 . 1 1 57 57 TRP H H 57 6.612 6.612 7.830 -1.218 25776 12926 1 17 . 1 1 58 58 GLY N N 58 107.657 107.657 107.520 0.137 25776 12927 1 17 . 1 1 58 58 GLY C C 58 172.720 172.720 171.924 0.796 25776 12928 1 17 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.458 0.326 25776 12929 1 17 . 1 1 58 58 GLY H H 58 9.271 9.271 8.267 1.004 25776 12930 1 17 . 1 1 59 59 VAL N N 59 118.434 118.434 126.308 -7.874 25776 12931 1 17 . 1 1 59 59 VAL C C 59 172.973 172.973 174.862 -1.889 25776 12932 1 17 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.851 -1.213 25776 12933 1 17 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.757 3.279 25776 12934 1 17 . 1 1 59 59 VAL H H 59 9.080 9.080 8.002 1.078 25776 12935 1 17 . 1 1 60 60 GLU N N 60 127.915 127.915 128.938 -1.023 25776 12936 1 17 . 1 1 60 60 GLU C C 60 174.464 174.464 174.876 -0.412 25776 12937 1 17 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.054 -0.303 25776 12938 1 17 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.613 2.429 25776 12939 1 17 . 1 1 60 60 GLU H H 60 9.431 9.431 8.529 0.902 25776 12940 1 17 . 1 1 61 61 LEU N N 61 127.764 127.764 125.378 2.386 25776 12941 1 17 . 1 1 61 61 LEU C C 61 174.746 174.746 175.373 -0.627 25776 12942 1 17 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.275 0.716 25776 12943 1 17 . 1 1 61 61 LEU CB C 61 46.880 46.880 46.234 0.646 25776 12944 1 17 . 1 1 61 61 LEU H H 61 8.730 8.730 8.140 0.590 25776 12945 1 17 . 1 1 62 62 VAL N N 62 126.465 126.465 120.410 6.055 25776 12946 1 17 . 1 1 62 62 VAL C C 62 174.453 174.453 174.834 -0.381 25776 12947 1 17 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.508 0.777 25776 12948 1 17 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.606 2.480 25776 12949 1 17 . 1 1 62 62 VAL H H 62 9.068 9.068 8.109 0.959 25776 12950 1 17 . 1 1 63 63 ALA N N 63 130.444 130.444 128.424 2.020 25776 12951 1 17 . 1 1 63 63 ALA C C 63 174.030 174.030 174.773 -0.743 25776 12952 1 17 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.294 -1.044 25776 12953 1 17 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.140 1.363 25776 12954 1 17 . 1 1 63 63 ALA H H 63 9.124 9.124 8.481 0.643 25776 12955 1 17 . 1 1 64 64 ALA N N 64 121.285 121.285 124.585 -3.300 25776 12956 1 17 . 1 1 64 64 ALA C C 64 176.843 176.843 176.946 -0.103 25776 12957 1 17 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.697 0.473 25776 12958 1 17 . 1 1 64 64 ALA CB C 64 23.172 23.172 21.237 1.935 25776 12959 1 17 . 1 1 64 64 ALA H H 64 7.995 7.995 8.390 -0.395 25776 12960 1 17 . 1 1 65 65 THR N N 65 109.734 109.734 118.375 -8.641 25776 12961 1 17 . 1 1 65 65 THR C C 65 176.739 176.739 174.137 2.602 25776 12962 1 17 . 1 1 65 65 THR CA C 65 61.660 61.660 59.906 1.754 25776 12963 1 17 . 1 1 65 65 THR CB C 65 68.341 68.341 69.224 -0.882 25776 12964 1 17 . 1 1 65 65 THR H H 65 8.108 8.108 8.164 -0.056 25776 12965 1 17 . 1 1 67 67 PHE N N 67 123.676 123.676 117.809 5.867 25776 12966 1 17 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.722 -0.873 25776 12967 1 17 . 1 1 67 67 PHE H H 67 8.382 8.382 7.675 0.707 25776 12968 1 17 . 1 1 74 74 LYS C C 74 177.704 177.704 175.788 1.916 25776 12969 1 17 . 1 1 74 74 LYS CA C 74 56.028 56.028 55.771 0.257 25776 12970 1 17 . 1 1 74 74 LYS CB C 74 34.062 34.062 31.871 2.191 25776 12971 1 17 . 1 1 75 75 GLY N N 75 108.841 108.841 109.307 -0.466 25776 12972 1 17 . 1 1 75 75 GLY C C 75 174.405 174.405 173.402 1.003 25776 12973 1 17 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.528 2.184 25776 12974 1 17 . 1 1 75 75 GLY H H 75 8.069 8.069 7.946 0.123 25776 12975 1 17 . 1 1 76 76 LEU N N 76 120.093 120.093 122.880 -2.787 25776 12976 1 17 . 1 1 76 76 LEU C C 76 176.997 176.997 177.248 -0.251 25776 12977 1 17 . 1 1 76 76 LEU CA C 76 56.180 56.180 57.302 -1.122 25776 12978 1 17 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.186 2.811 25776 12979 1 17 . 1 1 76 76 LEU H H 76 7.623 7.623 9.033 -1.410 25776 12980 1 17 . 1 1 79 79 GLY C C 79 175.675 175.675 173.472 2.203 25776 12981 1 17 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.562 2.537 25776 12982 1 17 . 1 1 80 80 LEU N N 80 130.062 130.062 123.034 7.028 25776 12983 1 17 . 1 1 80 80 LEU C C 80 176.062 176.062 176.099 -0.037 25776 12984 1 17 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.339 0.065 25776 12985 1 17 . 1 1 80 80 LEU CB C 80 43.006 43.006 42.919 0.087 25776 12986 1 17 . 1 1 80 80 LEU H H 80 9.441 9.441 8.430 1.011 25776 12987 1 17 . 1 1 81 81 ASP N N 81 124.816 124.816 121.028 3.788 25776 12988 1 17 . 1 1 81 81 ASP C C 81 178.992 178.992 175.861 3.131 25776 12989 1 17 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.018 1.751 25776 12990 1 17 . 1 1 81 81 ASP CB C 81 41.947 41.947 42.097 -0.150 25776 12991 1 17 . 1 1 81 81 ASP H H 81 7.854 7.854 8.160 -0.306 25776 12992 1 17 . 1 1 91 91 PRO C C 91 175.297 175.297 175.901 -0.604 25776 12993 1 17 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.194 -1.361 25776 12994 1 17 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.015 1.516 25776 12995 1 17 . 1 1 92 92 ALA N N 92 123.521 123.521 123.518 0.003 25776 12996 1 17 . 1 1 92 92 ALA C C 92 175.643 175.643 175.205 0.438 25776 12997 1 17 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.227 1.448 25776 12998 1 17 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.688 0.037 25776 12999 1 17 . 1 1 92 92 ALA H H 92 8.829 8.829 7.716 1.113 25776 13000 1 17 . 1 1 93 93 THR N N 93 117.599 117.599 116.744 0.855 25776 13001 1 17 . 1 1 93 93 THR C C 93 171.440 171.440 173.112 -1.672 25776 13002 1 17 . 1 1 93 93 THR CA C 93 62.066 62.066 61.222 0.844 25776 13003 1 17 . 1 1 93 93 THR CB C 93 72.352 72.352 71.357 0.995 25776 13004 1 17 . 1 1 93 93 THR H H 93 8.237 8.237 8.042 0.195 25776 13005 1 17 . 1 1 94 94 LEU N N 94 129.530 129.530 127.952 1.578 25776 13006 1 17 . 1 1 94 94 LEU C C 94 174.995 174.995 173.992 1.003 25776 13007 1 17 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.338 -0.144 25776 13008 1 17 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.519 1.646 25776 13009 1 17 . 1 1 94 94 LEU H H 94 8.732 8.732 8.290 0.442 25776 13010 1 17 . 1 1 95 95 LEU N N 95 124.181 124.181 125.258 -1.077 25776 13011 1 17 . 1 1 95 95 LEU C C 95 175.270 175.270 174.796 0.474 25776 13012 1 17 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.287 1.246 25776 13013 1 17 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.775 -0.103 25776 13014 1 17 . 1 1 95 95 LEU H H 95 9.485 9.485 8.951 0.534 25776 13015 1 17 . 1 1 96 96 LEU N N 96 123.444 123.444 120.580 2.864 25776 13016 1 17 . 1 1 96 96 LEU C C 96 174.997 174.997 175.657 -0.660 25776 13017 1 17 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.765 1.548 25776 13018 1 17 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.554 0.594 25776 13019 1 17 . 1 1 96 96 LEU H H 96 8.836 8.836 9.256 -0.420 25776 13020 1 17 . 1 1 97 97 GLN N N 97 121.545 121.545 122.030 -0.485 25776 13021 1 17 . 1 1 97 97 GLN C C 97 174.324 174.324 174.666 -0.342 25776 13022 1 17 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.830 0.559 25776 13023 1 17 . 1 1 97 97 GLN CB C 97 37.524 37.524 30.671 6.853 25776 13024 1 17 . 1 1 97 97 GLN H H 97 9.566 9.566 9.095 0.471 25776 13025 1 17 . 1 1 98 98 TYR N N 98 122.246 122.246 121.429 0.817 25776 13026 1 17 . 1 1 98 98 TYR C C 98 173.409 173.409 175.249 -1.840 25776 13027 1 17 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.720 -1.065 25776 13028 1 17 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.600 0.608 25776 13029 1 17 . 1 1 98 98 TYR H H 98 9.053 9.053 9.138 -0.085 25776 13030 1 17 . 1 1 99 99 TYR N N 99 126.872 126.872 124.809 2.063 25776 13031 1 17 . 1 1 99 99 TYR C C 99 175.310 175.310 175.471 -0.161 25776 13032 1 17 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.807 -1.051 25776 13033 1 17 . 1 1 99 99 TYR CB C 99 39.635 39.635 38.294 1.341 25776 13034 1 17 . 1 1 99 99 TYR H H 99 8.344 8.344 8.203 0.141 25776 13035 1 17 . 1 1 100 100 PRO C C 100 178.304 178.304 176.924 1.380 25776 13036 1 17 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.578 0.832 25776 13037 1 17 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.159 0.948 25776 13038 1 17 . 1 1 101 101 MET N N 101 114.703 114.703 119.576 -4.873 25776 13039 1 17 . 1 1 101 101 MET C C 101 178.218 178.218 175.651 2.567 25776 13040 1 17 . 1 1 101 101 MET CA C 101 54.147 54.147 54.879 -0.732 25776 13041 1 17 . 1 1 101 101 MET CB C 101 30.956 30.956 32.346 -1.390 25776 13042 1 17 . 1 1 101 101 MET H H 101 9.432 9.432 8.169 1.263 25776 13043 1 17 . 1 1 102 102 GLY N N 102 117.671 117.671 107.717 9.954 25776 13044 1 17 . 1 1 102 102 GLY C C 102 175.611 175.611 174.053 1.558 25776 13045 1 17 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.107 2.345 25776 13046 1 17 . 1 1 102 102 GLY H H 102 8.671 8.671 7.598 1.073 25776 13047 1 17 . 1 1 103 103 GLY N N 103 111.298 111.298 112.496 -1.198 25776 13048 1 17 . 1 1 103 103 GLY C C 103 174.054 174.054 175.177 -1.123 25776 13049 1 17 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.680 2.140 25776 13050 1 17 . 1 1 103 103 GLY H H 103 9.436 9.436 8.616 0.820 25776 13051 1 17 . 1 1 104 104 THR N N 104 109.330 109.330 116.092 -6.762 25776 13052 1 17 . 1 1 104 104 THR C C 104 174.248 174.248 174.611 -0.363 25776 13053 1 17 . 1 1 104 104 THR CA C 104 61.454 61.454 61.663 -0.208 25776 13054 1 17 . 1 1 104 104 THR CB C 104 72.711 72.711 69.543 3.168 25776 13055 1 17 . 1 1 104 104 THR H H 104 7.321 7.321 8.050 -0.729 25776 13056 1 17 . 1 1 105 105 ASN C C 105 175.032 175.032 175.015 0.017 25776 13057 1 17 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.145 0.268 25776 13058 1 17 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.273 0.570 25776 13059 1 17 . 1 1 106 106 SER N N 106 113.116 113.116 116.548 -3.432 25776 13060 1 17 . 1 1 106 106 SER C C 106 175.961 175.961 174.884 1.077 25776 13061 1 17 . 1 1 106 106 SER CA C 106 59.289 59.289 58.927 0.362 25776 13062 1 17 . 1 1 106 106 SER CB C 106 65.208 65.208 63.492 1.716 25776 13063 1 17 . 1 1 106 106 SER H H 106 7.487 7.487 7.705 -0.218 25776 13064 1 17 . 1 1 107 107 ALA N N 107 132.317 132.317 128.716 3.601 25776 13065 1 17 . 1 1 107 107 ALA C C 107 176.554 176.554 177.351 -0.797 25776 13066 1 17 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.684 1.315 25776 13067 1 17 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.934 0.596 25776 13068 1 17 . 1 1 107 107 ALA H H 107 8.891 8.891 8.536 0.355 25776 13069 1 17 . 1 1 108 108 PHE N N 108 116.265 116.265 116.375 -0.110 25776 13070 1 17 . 1 1 108 108 PHE C C 108 174.254 174.254 175.791 -1.537 25776 13071 1 17 . 1 1 108 108 PHE CA C 108 56.664 56.664 57.874 -1.210 25776 13072 1 17 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.775 1.460 25776 13073 1 17 . 1 1 108 108 PHE H H 108 7.592 7.592 7.641 -0.049 25776 13074 1 17 . 1 1 109 109 GLN N N 109 128.401 128.401 122.931 5.470 25776 13075 1 17 . 1 1 109 109 GLN C C 109 172.298 172.298 174.359 -2.061 25776 13076 1 17 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.746 -0.809 25776 13077 1 17 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.664 0.316 25776 13078 1 17 . 1 1 109 109 GLN H H 109 9.095 9.095 8.639 0.456 25776 13079 1 17 . 1 1 110 110 PRO C C 110 175.005 175.005 175.781 -0.776 25776 13080 1 17 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.515 -0.291 25776 13081 1 17 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.317 1.812 25776 13082 1 17 . 1 1 111 111 TYR N N 111 115.731 115.731 116.043 -0.312 25776 13083 1 17 . 1 1 111 111 TYR C C 111 173.783 173.783 173.445 0.338 25776 13084 1 17 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.043 1.029 25776 13085 1 17 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.287 -0.852 25776 13086 1 17 . 1 1 111 111 TYR H H 111 8.510 8.510 8.503 0.007 25776 13087 1 17 . 1 1 112 112 GLY N N 112 103.737 103.737 108.111 -4.374 25776 13088 1 17 . 1 1 112 112 GLY C C 112 172.014 172.014 172.717 -0.703 25776 13089 1 17 . 1 1 112 112 GLY CA C 112 44.644 44.644 43.667 0.977 25776 13090 1 17 . 1 1 112 112 GLY H H 112 8.149 8.149 8.973 -0.824 25776 13091 1 17 . 1 1 113 113 GLY N N 113 108.372 108.372 108.865 -0.493 25776 13092 1 17 . 1 1 113 113 GLY C C 113 171.486 171.486 172.200 -0.714 25776 13093 1 17 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.965 0.875 25776 13094 1 17 . 1 1 113 113 GLY H H 113 9.028 9.028 9.020 0.008 25776 13095 1 17 . 1 1 114 114 LEU N N 114 120.469 120.469 115.267 5.202 25776 13096 1 17 . 1 1 114 114 LEU C C 114 175.878 175.878 175.086 0.792 25776 13097 1 17 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.741 1.870 25776 13098 1 17 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.038 3.939 25776 13099 1 17 . 1 1 114 114 LEU H H 114 8.741 8.741 8.034 0.707 25776 13100 1 17 . 1 1 115 115 GLY N N 115 111.145 111.145 105.179 5.966 25776 13101 1 17 . 1 1 115 115 GLY C C 115 171.336 171.336 172.559 -1.223 25776 13102 1 17 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.704 2.151 25776 13103 1 17 . 1 1 115 115 GLY H H 115 8.952 8.952 8.575 0.377 25776 13104 1 17 . 1 1 116 116 VAL N N 116 118.641 118.641 113.797 4.844 25776 13105 1 17 . 1 1 116 116 VAL C C 116 172.617 172.617 173.526 -0.909 25776 13106 1 17 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.291 1.425 25776 13107 1 17 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.986 1.386 25776 13108 1 17 . 1 1 116 116 VAL H H 116 8.844 8.844 9.140 -0.296 25776 13109 1 17 . 1 1 117 117 ASN N N 117 123.839 123.839 119.504 4.335 25776 13110 1 17 . 1 1 117 117 ASN C C 117 171.105 171.105 173.270 -2.165 25776 13111 1 17 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.732 0.210 25776 13112 1 17 . 1 1 117 117 ASN CB C 117 44.578 44.578 42.413 2.164 25776 13113 1 17 . 1 1 117 117 ASN H H 117 9.647 9.647 8.887 0.760 25776 13114 1 17 . 1 1 118 118 TYR N N 118 125.160 125.160 121.694 3.466 25776 13115 1 17 . 1 1 118 118 TYR C C 118 174.349 174.349 174.041 0.308 25776 13116 1 17 . 1 1 118 118 TYR CA C 118 56.557 56.557 55.112 1.445 25776 13117 1 17 . 1 1 118 118 TYR CB C 118 42.564 42.564 40.256 2.308 25776 13118 1 17 . 1 1 118 118 TYR H H 118 8.989 8.989 7.861 1.128 25776 13119 1 17 . 1 1 119 119 THR N N 119 124.319 124.319 115.780 8.539 25776 13120 1 17 . 1 1 119 119 THR C C 119 171.231 171.231 173.830 -2.599 25776 13121 1 17 . 1 1 119 119 THR CA C 119 62.951 62.951 60.192 2.759 25776 13122 1 17 . 1 1 119 119 THR CB C 119 72.427 72.427 70.376 2.051 25776 13123 1 17 . 1 1 119 119 THR H H 119 8.806 8.806 8.710 0.096 25776 13124 1 17 . 1 1 120 120 THR N N 120 119.978 119.978 116.366 3.612 25776 13125 1 17 . 1 1 120 120 THR C C 120 171.174 171.174 173.999 -2.825 25776 13126 1 17 . 1 1 120 120 THR CA C 120 59.197 59.197 60.591 -1.394 25776 13127 1 17 . 1 1 120 120 THR CB C 120 72.088 72.088 70.439 1.649 25776 13128 1 17 . 1 1 120 120 THR H H 120 7.559 7.559 8.349 -0.790 25776 13129 1 17 . 1 1 121 121 PHE C C 121 175.289 175.289 175.797 -0.508 25776 13130 1 17 . 1 1 121 121 PHE CB C 121 44.369 44.369 40.928 3.441 25776 13131 1 17 . 1 1 122 122 PHE N N 122 117.578 117.578 124.188 -6.610 25776 13132 1 17 . 1 1 122 122 PHE C C 122 172.555 172.555 174.721 -2.166 25776 13133 1 17 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.075 -0.191 25776 13134 1 17 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.388 0.843 25776 13135 1 17 . 1 1 122 122 PHE H H 122 8.541 8.541 8.389 0.152 25776 13136 1 17 . 1 1 123 123 ASP N N 123 116.448 116.448 121.069 -4.621 25776 13137 1 17 . 1 1 123 123 ASP C C 123 175.240 175.240 174.781 0.459 25776 13138 1 17 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.884 1.950 25776 13139 1 17 . 1 1 123 123 ASP CB C 123 39.844 39.844 42.677 -2.833 25776 13140 1 17 . 1 1 123 123 ASP H H 123 8.940 8.940 8.644 0.296 25776 13141 1 17 . 1 1 124 124 GLU C C 124 177.545 177.545 176.407 1.138 25776 13142 1 17 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.462 3.428 25776 13143 1 17 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.790 -1.332 25776 13144 1 17 . 1 1 125 125 ASP N N 125 126.424 126.424 120.158 6.266 25776 13145 1 17 . 1 1 125 125 ASP C C 125 176.191 176.191 177.229 -1.038 25776 13146 1 17 . 1 1 125 125 ASP CA C 125 54.011 54.011 55.128 -1.117 25776 13147 1 17 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.463 2.086 25776 13148 1 17 . 1 1 125 125 ASP H H 125 9.100 9.100 8.477 0.623 25776 13149 1 17 . 1 1 126 126 LEU N N 126 127.990 127.990 117.205 10.785 25776 13150 1 17 . 1 1 126 126 LEU C C 126 175.808 175.808 176.774 -0.966 25776 13151 1 17 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.731 0.537 25776 13152 1 17 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.716 3.140 25776 13153 1 17 . 1 1 126 126 LEU H H 126 8.570 8.570 7.731 0.839 25776 13154 1 17 . 1 1 127 127 ALA N N 127 124.126 124.126 121.614 2.512 25776 13155 1 17 . 1 1 127 127 ALA C C 127 179.833 179.833 177.501 2.332 25776 13156 1 17 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.018 0.703 25776 13157 1 17 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.220 0.839 25776 13158 1 17 . 1 1 127 127 ALA H H 127 7.885 7.885 7.662 0.223 25776 13159 1 17 . 1 1 129 129 ASN C C 129 176.927 176.927 175.678 1.249 25776 13160 1 17 . 1 1 129 129 ASN CB C 129 37.473 37.473 40.091 -2.618 25776 13161 1 17 . 1 1 130 130 ARG N N 130 117.748 117.748 124.415 -6.667 25776 13162 1 17 . 1 1 130 130 ARG C C 130 179.430 179.430 177.079 2.351 25776 13163 1 17 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.078 -2.235 25776 13164 1 17 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.370 -0.044 25776 13165 1 17 . 1 1 130 130 ARG H H 130 7.435 7.435 8.783 -1.348 25776 13166 1 17 . 1 1 131 131 LYS N N 131 122.261 122.261 118.709 3.552 25776 13167 1 17 . 1 1 131 131 LYS C C 131 180.937 180.937 177.946 2.991 25776 13168 1 17 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.150 2.311 25776 13169 1 17 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.172 0.739 25776 13170 1 17 . 1 1 131 131 LYS H H 131 7.945 7.945 8.266 -0.321 25776 13171 1 17 . 1 1 132 132 ALA N N 132 122.083 122.083 121.428 0.655 25776 13172 1 17 . 1 1 132 132 ALA C C 132 178.748 178.748 178.891 -0.143 25776 13173 1 17 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.172 1.198 25776 13174 1 17 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.238 0.891 25776 13175 1 17 . 1 1 132 132 ALA H H 132 7.770 7.770 7.814 -0.044 25776 13176 1 17 . 1 1 133 133 GLN N N 133 116.102 116.102 117.297 -1.195 25776 13177 1 17 . 1 1 133 133 GLN C C 133 175.525 175.525 177.132 -1.607 25776 13178 1 17 . 1 1 133 133 GLN CA C 133 57.098 57.098 55.874 1.224 25776 13179 1 17 . 1 1 133 133 GLN CB C 133 30.355 30.355 30.183 0.172 25776 13180 1 17 . 1 1 133 133 GLN H H 133 7.302 7.302 7.875 -0.573 25776 13181 1 17 . 1 1 134 134 GLY N N 134 104.444 104.444 109.234 -4.790 25776 13182 1 17 . 1 1 134 134 GLY C C 134 174.460 174.460 174.256 0.204 25776 13183 1 17 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.582 0.300 25776 13184 1 17 . 1 1 134 134 GLY H H 134 7.596 7.596 7.647 -0.051 25776 13185 1 17 . 1 1 135 135 PHE N N 135 119.775 119.775 117.694 2.081 25776 13186 1 17 . 1 1 135 135 PHE C C 135 174.922 174.922 174.495 0.427 25776 13187 1 17 . 1 1 135 135 PHE CA C 135 58.894 58.894 55.965 2.929 25776 13188 1 17 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.528 0.763 25776 13189 1 17 . 1 1 135 135 PHE H H 135 7.737 7.737 6.754 0.983 25776 13190 1 17 . 1 1 136 136 SER N N 136 115.673 115.673 115.148 0.525 25776 13191 1 17 . 1 1 136 136 SER C C 136 174.415 174.415 173.985 0.430 25776 13192 1 17 . 1 1 136 136 SER CA C 136 59.679 59.679 58.029 1.650 25776 13193 1 17 . 1 1 136 136 SER CB C 136 66.246 66.246 63.659 2.587 25776 13194 1 17 . 1 1 136 136 SER H H 136 8.862 8.862 8.606 0.256 25776 13195 1 17 . 1 1 137 137 SER N N 137 114.341 114.341 116.838 -2.497 25776 13196 1 17 . 1 1 137 137 SER C C 137 172.164 172.164 173.649 -1.485 25776 13197 1 17 . 1 1 137 137 SER CA C 137 58.955 58.955 57.597 1.358 25776 13198 1 17 . 1 1 137 137 SER CB C 137 65.592 65.592 65.070 0.522 25776 13199 1 17 . 1 1 137 137 SER H H 137 7.912 7.912 7.867 0.045 25776 13200 1 17 . 1 1 138 138 MET N N 138 120.555 120.555 122.687 -2.132 25776 13201 1 17 . 1 1 138 138 MET C C 138 173.189 173.189 175.965 -2.776 25776 13202 1 17 . 1 1 138 138 MET CA C 138 55.879 55.879 55.867 0.012 25776 13203 1 17 . 1 1 138 138 MET CB C 138 36.962 36.962 33.354 3.608 25776 13204 1 17 . 1 1 138 138 MET H H 138 8.461 8.461 8.542 -0.081 25776 13205 1 17 . 1 1 141 141 GLN C C 141 176.182 176.182 175.629 0.553 25776 13206 1 17 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.230 2.204 25776 13207 1 17 . 1 1 142 142 ASP N N 142 124.414 124.414 118.544 5.870 25776 13208 1 17 . 1 1 142 142 ASP C C 142 175.702 175.702 175.649 0.053 25776 13209 1 17 . 1 1 142 142 ASP CA C 142 56.307 56.307 53.380 2.927 25776 13210 1 17 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.442 0.296 25776 13211 1 17 . 1 1 142 142 ASP H H 142 8.728 8.728 8.160 0.568 25776 13212 1 17 . 1 1 143 143 SER N N 143 114.920 114.920 116.696 -1.776 25776 13213 1 17 . 1 1 143 143 SER C C 143 172.289 172.289 174.158 -1.869 25776 13214 1 17 . 1 1 143 143 SER CA C 143 57.652 57.652 58.371 -0.719 25776 13215 1 17 . 1 1 143 143 SER CB C 143 66.215 66.215 63.822 2.393 25776 13216 1 17 . 1 1 143 143 SER H H 143 8.703 8.703 8.100 0.603 25776 13217 1 17 . 1 1 144 144 TRP N N 144 126.444 126.444 122.596 3.848 25776 13218 1 17 . 1 1 144 144 TRP C C 144 177.307 177.307 175.162 2.145 25776 13219 1 17 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.188 1.687 25776 13220 1 17 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.957 2.407 25776 13221 1 17 . 1 1 144 144 TRP H H 144 8.101 8.101 7.679 0.422 25776 13222 1 17 . 1 1 145 145 GLY N N 145 108.757 108.757 108.683 0.074 25776 13223 1 17 . 1 1 145 145 GLY C C 145 171.985 171.985 172.915 -0.930 25776 13224 1 17 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.784 2.764 25776 13225 1 17 . 1 1 145 145 GLY H H 145 8.889 8.889 8.166 0.723 25776 13226 1 17 . 1 1 146 146 LEU N N 146 121.579 121.579 116.097 5.482 25776 13227 1 17 . 1 1 146 146 LEU C C 146 174.909 174.909 175.955 -1.046 25776 13228 1 17 . 1 1 146 146 LEU CA C 146 56.175 56.175 53.774 2.401 25776 13229 1 17 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.121 2.042 25776 13230 1 17 . 1 1 146 146 LEU H H 146 9.035 9.035 8.118 0.917 25776 13231 1 17 . 1 1 147 147 ALA N N 147 121.342 121.342 124.650 -3.308 25776 13232 1 17 . 1 1 147 147 ALA C C 147 175.588 175.588 176.680 -1.092 25776 13233 1 17 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.001 0.933 25776 13234 1 17 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.283 2.822 25776 13235 1 17 . 1 1 147 147 ALA H H 147 8.123 8.123 8.818 -0.695 25776 13236 1 17 . 1 1 148 148 GLY N N 148 106.598 106.598 106.770 -0.172 25776 13237 1 17 . 1 1 148 148 GLY C C 148 171.829 171.829 172.072 -0.243 25776 13238 1 17 . 1 1 148 148 GLY CA C 148 44.748 44.748 43.998 0.750 25776 13239 1 17 . 1 1 148 148 GLY H H 148 9.216 9.216 7.987 1.229 25776 13240 1 17 . 1 1 149 149 GLU N N 149 122.775 122.775 120.582 2.193 25776 13241 1 17 . 1 1 149 149 GLU C C 149 174.078 174.078 174.058 0.020 25776 13242 1 17 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.835 -0.033 25776 13243 1 17 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.845 4.570 25776 13244 1 17 . 1 1 149 149 GLU H H 149 8.493 8.493 8.352 0.141 25776 13245 1 17 . 1 1 150 150 LEU N N 150 126.310 126.310 127.298 -0.988 25776 13246 1 17 . 1 1 150 150 LEU C C 150 174.309 174.309 174.714 -0.405 25776 13247 1 17 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.744 0.198 25776 13248 1 17 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.552 2.939 25776 13249 1 17 . 1 1 150 150 LEU H H 150 8.580 8.580 7.938 0.642 25776 13250 1 17 . 1 1 151 151 GLY N N 151 109.909 109.909 113.124 -3.215 25776 13251 1 17 . 1 1 151 151 GLY C C 151 170.538 170.538 171.502 -0.964 25776 13252 1 17 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.037 0.583 25776 13253 1 17 . 1 1 151 151 GLY H H 151 8.115 8.115 8.305 -0.190 25776 13254 1 17 . 1 1 152 152 PHE N N 152 111.012 111.012 114.019 -3.007 25776 13255 1 17 . 1 1 152 152 PHE C C 152 171.455 171.455 172.951 -1.496 25776 13256 1 17 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.212 2.500 25776 13257 1 17 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.235 0.260 25776 13258 1 17 . 1 1 152 152 PHE H H 152 8.365 8.365 8.599 -0.234 25776 13259 1 17 . 1 1 153 153 ASP N N 153 119.057 119.057 119.935 -0.878 25776 13260 1 17 . 1 1 153 153 ASP C C 153 176.522 176.522 175.073 1.449 25776 13261 1 17 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.435 0.031 25776 13262 1 17 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.215 1.882 25776 13263 1 17 . 1 1 153 153 ASP H H 153 8.014 8.014 8.701 -0.687 25776 13264 1 17 . 1 1 154 154 TYR N N 154 123.640 123.640 126.630 -2.990 25776 13265 1 17 . 1 1 154 154 TYR C C 154 175.593 175.593 174.986 0.607 25776 13266 1 17 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.294 0.594 25776 13267 1 17 . 1 1 154 154 TYR CB C 154 42.822 42.822 37.803 5.019 25776 13268 1 17 . 1 1 154 154 TYR H H 154 9.744 9.744 8.016 1.728 25776 13269 1 17 . 1 1 155 155 MET N N 155 126.409 126.409 123.810 2.599 25776 13270 1 17 . 1 1 155 155 MET C C 155 174.938 174.938 175.543 -0.605 25776 13271 1 17 . 1 1 155 155 MET CA C 155 55.410 55.410 56.224 -0.813 25776 13272 1 17 . 1 1 155 155 MET CB C 155 29.170 29.170 33.114 -3.944 25776 13273 1 17 . 1 1 155 155 MET H H 155 8.659 8.659 8.186 0.473 25776 13274 1 17 . 1 1 156 156 LEU N N 156 125.396 125.396 123.548 1.848 25776 13275 1 17 . 1 1 156 156 LEU C C 156 177.567 177.567 177.450 0.117 25776 13276 1 17 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.581 0.992 25776 13277 1 17 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.549 0.363 25776 13278 1 17 . 1 1 156 156 LEU H H 156 9.232 9.232 8.491 0.741 25776 13279 1 17 . 1 1 157 157 ASN N N 157 114.903 114.903 115.394 -0.491 25776 13280 1 17 . 1 1 157 157 ASN C C 157 173.568 173.568 176.208 -2.640 25776 13281 1 17 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.188 -1.996 25776 13282 1 17 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.315 0.596 25776 13283 1 17 . 1 1 157 157 ASN H H 157 8.099 8.099 8.167 -0.068 25776 13284 1 17 . 1 1 158 158 GLU N N 158 114.724 114.724 117.729 -3.005 25776 13285 1 17 . 1 1 158 158 GLU C C 158 176.032 176.032 177.316 -1.284 25776 13286 1 17 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.166 2.511 25776 13287 1 17 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.331 0.184 25776 13288 1 17 . 1 1 158 158 GLU H H 158 8.625 8.625 8.691 -0.066 25776 13289 1 17 . 1 1 159 159 HIS N N 159 111.022 111.022 115.485 -4.463 25776 13290 1 17 . 1 1 159 159 HIS C C 159 173.158 173.158 173.909 -0.751 25776 13291 1 17 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.478 0.958 25776 13292 1 17 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.785 1.607 25776 13293 1 17 . 1 1 159 159 HIS H H 159 8.201 8.201 8.058 0.143 25776 13294 1 17 . 1 1 160 160 ALA N N 160 122.967 122.967 120.240 2.727 25776 13295 1 17 . 1 1 160 160 ALA C C 160 176.212 176.212 175.215 0.997 25776 13296 1 17 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.816 0.506 25776 13297 1 17 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.382 1.044 25776 13298 1 17 . 1 1 160 160 ALA H H 160 8.389 8.389 7.683 0.706 25776 13299 1 17 . 1 1 161 161 LEU N N 161 116.648 116.648 117.046 -0.398 25776 13300 1 17 . 1 1 161 161 LEU C C 161 174.922 174.922 175.766 -0.844 25776 13301 1 17 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.431 1.454 25776 13302 1 17 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.721 1.774 25776 13303 1 17 . 1 1 161 161 LEU H H 161 8.616 8.616 8.905 -0.289 25776 13304 1 17 . 1 1 162 162 PHE N N 162 121.938 121.938 120.930 1.008 25776 13305 1 17 . 1 1 162 162 PHE C C 162 171.989 171.989 173.767 -1.778 25776 13306 1 17 . 1 1 162 162 PHE CA C 162 57.018 57.018 55.978 1.040 25776 13307 1 17 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.523 1.566 25776 13308 1 17 . 1 1 162 162 PHE H H 162 9.221 9.221 8.402 0.819 25776 13309 1 17 . 1 1 163 163 ASN N N 163 127.932 127.932 123.161 4.771 25776 13310 1 17 . 1 1 163 163 ASN C C 163 171.357 171.357 173.273 -1.916 25776 13311 1 17 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.468 0.481 25776 13312 1 17 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.928 5.112 25776 13313 1 17 . 1 1 163 163 ASN H H 163 7.735 7.735 8.137 -0.402 25776 13314 1 17 . 1 1 164 164 MET N N 164 120.121 120.121 124.330 -4.209 25776 13315 1 17 . 1 1 164 164 MET C C 164 172.837 172.837 173.178 -0.341 25776 13316 1 17 . 1 1 164 164 MET CA C 164 55.914 55.914 54.926 0.988 25776 13317 1 17 . 1 1 164 164 MET CB C 164 38.643 38.643 35.874 2.769 25776 13318 1 17 . 1 1 164 164 MET H H 164 7.092 7.092 8.668 -1.576 25776 13319 1 17 . 1 1 165 165 ALA N N 165 120.745 120.745 125.861 -5.116 25776 13320 1 17 . 1 1 165 165 ALA C C 165 174.047 174.047 174.496 -0.449 25776 13321 1 17 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.599 0.815 25776 13322 1 17 . 1 1 165 165 ALA CB C 165 23.143 23.143 23.154 -0.011 25776 13323 1 17 . 1 1 165 165 ALA H H 165 8.370 8.370 8.640 -0.270 25776 13324 1 17 . 1 1 166 166 VAL N N 166 118.385 118.385 119.366 -0.981 25776 13325 1 17 . 1 1 166 166 VAL C C 166 172.556 172.556 175.324 -2.768 25776 13326 1 17 . 1 1 166 166 VAL CA C 166 60.628 60.628 62.400 -1.772 25776 13327 1 17 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.234 3.893 25776 13328 1 17 . 1 1 166 166 VAL H H 166 8.723 8.723 8.443 0.280 25776 13329 1 17 . 1 1 167 167 TRP N N 167 123.258 123.258 129.199 -5.941 25776 13330 1 17 . 1 1 167 167 TRP C C 167 174.016 174.016 176.040 -2.024 25776 13331 1 17 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.554 2.050 25776 13332 1 17 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.660 2.998 25776 13333 1 17 . 1 1 167 167 TRP H H 167 9.312 9.312 8.468 0.844 25776 13334 1 17 . 1 1 168 168 TYR N N 168 121.455 121.455 126.983 -5.528 25776 13335 1 17 . 1 1 168 168 TYR C C 168 175.110 175.110 174.157 0.953 25776 13336 1 17 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.630 -0.444 25776 13337 1 17 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.456 1.984 25776 13338 1 17 . 1 1 168 168 TYR H H 168 8.398 8.398 8.219 0.179 25776 13339 1 17 . 1 1 169 169 MET N N 169 124.800 124.800 124.392 0.408 25776 13340 1 17 . 1 1 169 169 MET C C 169 172.688 172.688 174.445 -1.757 25776 13341 1 17 . 1 1 169 169 MET CA C 169 55.640 55.640 54.409 1.231 25776 13342 1 17 . 1 1 169 169 MET CB C 169 34.143 34.143 34.829 -0.686 25776 13343 1 17 . 1 1 169 169 MET H H 169 8.131 8.131 8.198 -0.067 25776 13344 1 17 . 1 1 170 170 ASP N N 170 122.780 122.780 124.052 -1.272 25776 13345 1 17 . 1 1 170 170 ASP C C 170 174.864 174.864 175.806 -0.942 25776 13346 1 17 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.058 1.825 25776 13347 1 17 . 1 1 170 170 ASP CB C 170 41.678 41.678 44.996 -3.318 25776 13348 1 17 . 1 1 170 170 ASP H H 170 8.191 8.191 8.187 0.004 25776 13349 1 17 . 1 1 171 171 ILE N N 171 127.252 127.252 120.286 6.966 25776 13350 1 17 . 1 1 171 171 ILE C C 171 174.476 174.476 174.682 -0.206 25776 13351 1 17 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.910 -0.967 25776 13352 1 17 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.066 2.455 25776 13353 1 17 . 1 1 171 171 ILE H H 171 7.805 7.805 8.347 -0.542 25776 13354 1 17 . 1 1 172 172 ASP N N 172 129.369 129.369 126.220 3.149 25776 13355 1 17 . 1 1 172 172 ASP C C 172 174.520 174.520 175.732 -1.212 25776 13356 1 17 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.296 0.505 25776 13357 1 17 . 1 1 172 172 ASP CB C 172 43.089 43.089 44.279 -1.190 25776 13358 1 17 . 1 1 172 172 ASP H H 172 8.541 8.541 8.392 0.149 25776 13359 1 17 . 1 1 173 173 THR N N 173 118.920 118.920 117.018 1.902 25776 13360 1 17 . 1 1 173 173 THR C C 173 172.170 172.170 175.003 -2.833 25776 13361 1 17 . 1 1 173 173 THR CA C 173 60.936 60.936 62.194 -1.258 25776 13362 1 17 . 1 1 173 173 THR CB C 173 70.002 70.002 69.615 0.387 25776 13363 1 17 . 1 1 173 173 THR H H 173 8.814 8.814 8.162 0.652 25776 13364 1 17 . 1 1 176 176 SER C C 176 174.672 174.672 173.718 0.954 25776 13365 1 17 . 1 1 176 176 SER CA C 176 58.834 58.834 57.999 0.835 25776 13366 1 17 . 1 1 176 176 SER CB C 176 64.984 64.984 64.398 0.586 25776 13367 1 17 . 1 1 177 177 ILE N N 177 121.645 121.645 121.784 -0.139 25776 13368 1 17 . 1 1 177 177 ILE C C 177 174.945 174.945 175.028 -0.083 25776 13369 1 17 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.301 1.045 25776 13370 1 17 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.661 1.478 25776 13371 1 17 . 1 1 177 177 ILE H H 177 7.993 7.993 8.326 -0.333 25776 13372 1 17 . 1 1 178 178 ASN N N 178 127.223 127.223 125.385 1.838 25776 13373 1 17 . 1 1 178 178 ASN C C 178 179.120 179.120 175.620 3.500 25776 13374 1 17 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.720 1.943 25776 13375 1 17 . 1 1 178 178 ASN CB C 178 41.919 41.919 39.184 2.735 25776 13376 1 17 . 1 1 178 178 ASN H H 178 7.882 7.882 8.640 -0.758 25776 13377 1 17 . 1 1 182 182 ALA N N 182 124.095 124.095 123.202 0.893 25776 13378 1 17 . 1 1 182 182 ALA C C 182 177.680 177.680 176.332 1.348 25776 13379 1 17 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.757 2.459 25776 13380 1 17 . 1 1 182 182 ALA CB C 182 19.769 19.769 18.548 1.221 25776 13381 1 17 . 1 1 182 182 ALA H H 182 8.100 8.100 7.984 0.116 25776 13382 1 17 . 1 1 183 183 LEU N N 183 118.394 118.394 119.908 -1.514 25776 13383 1 17 . 1 1 183 183 LEU C C 183 177.352 177.352 176.138 1.214 25776 13384 1 17 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.310 0.517 25776 13385 1 17 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.991 0.193 25776 13386 1 17 . 1 1 183 183 LEU H H 183 7.854 7.854 7.655 0.199 25776 13387 1 17 . 1 1 184 184 GLY N N 184 107.897 107.897 109.245 -1.348 25776 13388 1 17 . 1 1 184 184 GLY C C 184 174.288 174.288 173.306 0.982 25776 13389 1 17 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.367 2.309 25776 13390 1 17 . 1 1 184 184 GLY H H 184 7.883 7.883 7.824 0.059 25776 13391 1 17 . 1 1 185 185 VAL N N 185 118.254 118.254 117.689 0.565 25776 13392 1 17 . 1 1 185 185 VAL C C 185 175.475 175.475 175.388 0.087 25776 13393 1 17 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.655 1.393 25776 13394 1 17 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.703 0.768 25776 13395 1 17 . 1 1 185 185 VAL H H 185 7.676 7.676 8.201 -0.525 25776 13396 1 17 . 1 1 186 186 ASN N N 186 121.756 121.756 118.914 2.842 25776 13397 1 17 . 1 1 186 186 ASN C C 186 174.724 174.724 174.249 0.475 25776 13398 1 17 . 1 1 186 186 ASN CA C 186 54.593 54.593 52.846 1.747 25776 13399 1 17 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.477 0.421 25776 13400 1 17 . 1 1 186 186 ASN H H 186 8.331 8.331 8.338 -0.007 25776 13401 1 17 . 1 1 187 187 LYS N N 187 120.959 120.959 119.349 1.610 25776 13402 1 17 . 1 1 187 187 LYS C C 187 174.652 174.652 176.412 -1.760 25776 13403 1 17 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.901 0.297 25776 13404 1 17 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.246 0.797 25776 13405 1 17 . 1 1 187 187 LYS H H 187 8.031 8.031 8.558 -0.527 25776 13406 1 17 . 1 1 189 189 LYS C C 189 176.088 176.088 175.621 0.467 25776 13407 1 17 . 1 1 189 189 LYS CA C 189 57.442 57.442 55.498 1.944 25776 13408 1 17 . 1 1 190 190 VAL N N 190 121.122 121.122 117.577 3.545 25776 13409 1 17 . 1 1 190 190 VAL C C 190 175.545 175.545 173.970 1.575 25776 13410 1 17 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.516 1.605 25776 13411 1 17 . 1 1 190 190 VAL CB C 190 33.948 33.948 35.449 -1.501 25776 13412 1 17 . 1 1 190 190 VAL H H 190 8.067 8.067 8.307 -0.240 25776 13413 1 17 . 1 1 191 191 ASP N N 191 124.022 124.022 121.020 3.002 25776 13414 1 17 . 1 1 191 191 ASP C C 191 175.710 175.710 176.031 -0.321 25776 13415 1 17 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.885 0.384 25776 13416 1 17 . 1 1 191 191 ASP CB C 191 41.978 41.978 42.809 -0.830 25776 13417 1 17 . 1 1 191 191 ASP H H 191 8.282 8.282 8.570 -0.288 25776 13418 1 17 . 1 1 192 192 VAL N N 192 118.928 118.928 122.827 -3.899 25776 13419 1 17 . 1 1 192 192 VAL C C 192 175.433 175.433 175.122 0.311 25776 13420 1 17 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.482 1.338 25776 13421 1 17 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.991 1.114 25776 13422 1 17 . 1 1 192 192 VAL H H 192 7.877 7.877 7.701 0.176 25776 13423 1 17 . 1 1 193 193 ASP N N 193 124.364 124.364 126.595 -2.231 25776 13424 1 17 . 1 1 193 193 ASP C C 193 176.118 176.118 175.805 0.313 25776 13425 1 17 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.439 0.772 25776 13426 1 17 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.664 0.369 25776 13427 1 17 . 1 1 193 193 ASP H H 193 8.335 8.335 8.404 -0.069 25776 13428 1 17 . 1 1 198 198 VAL N N 198 126.400 126.400 120.536 5.864 25776 13429 1 17 . 1 1 198 198 VAL C C 198 174.600 174.600 174.225 0.375 25776 13430 1 17 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.660 -1.220 25776 13431 1 17 . 1 1 198 198 VAL CB C 198 35.100 35.100 31.678 3.422 25776 13432 1 17 . 1 1 198 198 VAL H H 198 8.474 8.474 8.003 0.471 25776 13433 1 17 . 1 1 199 199 TYR N N 199 123.900 123.900 123.449 0.451 25776 13434 1 17 . 1 1 199 199 TYR C C 199 173.600 173.600 173.846 -0.246 25776 13435 1 17 . 1 1 199 199 TYR CA C 199 55.510 55.510 55.587 -0.077 25776 13436 1 17 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.069 -0.438 25776 13437 1 17 . 1 1 199 199 TYR H H 199 8.748 8.748 7.739 1.009 25776 13438 1 17 . 1 1 200 200 MET N N 200 123.700 123.700 121.573 2.127 25776 13439 1 17 . 1 1 200 200 MET CA C 200 49.420 49.420 53.671 -4.251 25776 13440 1 17 . 1 1 200 200 MET H H 200 9.057 9.057 8.546 0.511 25776 13441 1 17 . 1 1 201 201 ILE C C 201 174.016 174.016 173.781 0.235 25776 13442 1 17 . 1 1 201 201 ILE CA C 201 60.474 60.474 58.858 1.616 25776 13443 1 17 . 1 1 201 201 ILE CB C 201 42.435 42.435 41.614 0.821 25776 13444 1 17 . 1 1 202 202 GLY N N 202 113.215 113.215 110.326 2.889 25776 13445 1 17 . 1 1 202 202 GLY C C 202 170.124 170.124 171.584 -1.460 25776 13446 1 17 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.473 3.087 25776 13447 1 17 . 1 1 202 202 GLY H H 202 8.646 8.646 7.614 1.032 25776 13448 1 17 . 1 1 203 203 PHE N N 203 116.782 116.782 117.944 -1.162 25776 13449 1 17 . 1 1 203 203 PHE C C 203 174.063 174.063 175.642 -1.579 25776 13450 1 17 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.977 -0.526 25776 13451 1 17 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.813 1.886 25776 13452 1 17 . 1 1 203 203 PHE H H 203 8.482 8.482 7.848 0.634 25776 13453 1 17 . 1 1 204 204 GLY N N 204 105.936 105.936 109.764 -3.828 25776 13454 1 17 . 1 1 204 204 GLY C C 204 171.097 171.097 172.109 -1.012 25776 13455 1 17 . 1 1 204 204 GLY CA C 204 47.474 47.474 43.801 3.673 25776 13456 1 17 . 1 1 204 204 GLY H H 204 9.003 9.003 8.269 0.734 25776 13457 1 17 . 1 1 205 205 TYR N N 205 121.196 121.196 118.084 3.112 25776 13458 1 17 . 1 1 205 205 TYR C C 205 172.994 172.994 173.584 -0.590 25776 13459 1 17 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.752 0.934 25776 13460 1 17 . 1 1 205 205 TYR CB C 205 45.190 45.190 43.492 1.698 25776 13461 1 17 . 1 1 205 205 TYR H H 205 9.413 9.413 8.691 0.722 25776 13462 1 17 . 1 1 206 206 LYS N N 206 126.788 126.788 122.581 4.207 25776 13463 1 17 . 1 1 206 206 LYS C C 206 174.161 174.161 175.297 -1.136 25776 13464 1 17 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.831 0.599 25776 13465 1 17 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.849 1.576 25776 13466 1 17 . 1 1 206 206 LYS H H 206 8.364 8.364 7.629 0.735 25776 13467 1 17 . 1 1 207 207 PHE N N 207 126.168 126.168 125.658 0.510 25776 13468 1 17 . 1 1 207 207 PHE C C 207 175.094 175.094 175.421 -0.327 25776 13469 1 17 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.994 -0.304 25776 13470 1 17 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.332 2.331 25776 13471 1 17 . 1 1 207 207 PHE H H 207 9.308 9.308 8.097 1.211 25776 13472 1 17 . 1 1 208 208 LEU N N 208 123.199 123.199 124.278 -1.079 25776 13473 1 17 . 1 1 208 208 LEU C C 208 176.580 176.580 176.281 0.299 25776 13474 1 17 . 1 1 208 208 LEU CA C 208 55.471 55.471 53.483 1.988 25776 13475 1 17 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.452 1.262 25776 13476 1 17 . 1 1 208 208 LEU H H 208 8.376 8.376 7.875 0.501 25776 13477 1 17 . 1 1 209 209 GLU N N 209 121.960 121.960 123.297 -1.337 25776 13478 1 17 . 1 1 209 209 GLU C C 209 176.226 176.226 176.140 0.086 25776 13479 1 17 . 1 1 209 209 GLU CA C 209 57.732 57.732 57.306 0.426 25776 13480 1 17 . 1 1 209 209 GLU CB C 209 31.453 31.453 29.366 2.087 25776 13481 1 17 . 1 1 209 209 GLU H H 209 8.500 8.500 8.657 -0.157 25776 13482 1 18 . 1 1 2 2 HIS C C 2 175.393 175.393 173.905 1.488 25776 13483 1 18 . 1 1 2 2 HIS CA C 2 53.804 53.804 54.923 -1.119 25776 13484 1 18 . 1 1 2 2 HIS CB C 2 30.780 30.780 29.899 0.881 25776 13485 1 18 . 1 1 3 3 LYS N N 3 121.908 121.908 122.433 -0.525 25776 13486 1 18 . 1 1 3 3 LYS C C 3 173.475 173.475 175.253 -1.778 25776 13487 1 18 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.018 0.009 25776 13488 1 18 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.003 0.197 25776 13489 1 18 . 1 1 3 3 LYS H H 3 8.608 8.608 7.845 0.763 25776 13490 1 18 . 1 1 4 4 ALA N N 4 120.771 120.771 126.239 -5.468 25776 13491 1 18 . 1 1 4 4 ALA C C 4 178.118 178.118 178.043 0.075 25776 13492 1 18 . 1 1 4 4 ALA CA C 4 53.439 53.439 53.369 0.070 25776 13493 1 18 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.662 -0.613 25776 13494 1 18 . 1 1 4 4 ALA H H 4 8.581 8.581 8.560 0.021 25776 13495 1 18 . 1 1 5 5 GLY N N 5 112.807 112.807 112.021 0.786 25776 13496 1 18 . 1 1 5 5 GLY C C 5 173.788 173.788 174.411 -0.623 25776 13497 1 18 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.731 0.089 25776 13498 1 18 . 1 1 5 5 GLY H H 5 9.170 9.170 8.489 0.681 25776 13499 1 18 . 1 1 6 6 ASP N N 6 121.504 121.504 121.829 -0.325 25776 13500 1 18 . 1 1 6 6 ASP C C 6 174.307 174.307 174.874 -0.567 25776 13501 1 18 . 1 1 6 6 ASP CA C 6 55.818 55.818 54.883 0.935 25776 13502 1 18 . 1 1 6 6 ASP CB C 6 41.575 41.575 42.135 -0.559 25776 13503 1 18 . 1 1 6 6 ASP H H 6 7.619 7.619 7.756 -0.137 25776 13504 1 18 . 1 1 7 7 PHE N N 7 121.212 121.212 118.109 3.103 25776 13505 1 18 . 1 1 7 7 PHE C C 7 174.030 174.030 173.777 0.253 25776 13506 1 18 . 1 1 7 7 PHE CA C 7 56.601 56.601 54.790 1.811 25776 13507 1 18 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.294 3.782 25776 13508 1 18 . 1 1 7 7 PHE H H 7 8.285 8.285 8.132 0.153 25776 13509 1 18 . 1 1 8 8 ILE N N 8 128.185 128.185 119.442 8.743 25776 13510 1 18 . 1 1 8 8 ILE C C 8 173.961 173.961 174.411 -0.450 25776 13511 1 18 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.032 2.691 25776 13512 1 18 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.208 2.462 25776 13513 1 18 . 1 1 8 8 ILE H H 8 9.245 9.245 7.970 1.275 25776 13514 1 18 . 1 1 9 9 ILE N N 9 125.624 125.624 123.282 2.342 25776 13515 1 18 . 1 1 9 9 ILE C C 9 173.731 173.731 174.950 -1.219 25776 13516 1 18 . 1 1 9 9 ILE CA C 9 60.290 60.290 59.492 0.798 25776 13517 1 18 . 1 1 9 9 ILE CB C 9 42.091 42.091 37.652 4.439 25776 13518 1 18 . 1 1 9 9 ILE H H 9 8.628 8.628 8.358 0.270 25776 13519 1 18 . 1 1 10 10 ARG N N 10 125.025 125.025 127.382 -2.357 25776 13520 1 18 . 1 1 10 10 ARG C C 10 175.074 175.074 174.603 0.471 25776 13521 1 18 . 1 1 10 10 ARG CA C 10 54.494 54.494 53.734 0.760 25776 13522 1 18 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.112 -1.340 25776 13523 1 18 . 1 1 10 10 ARG H H 10 9.225 9.225 9.077 0.148 25776 13524 1 18 . 1 1 11 11 GLY N N 11 106.141 106.141 112.421 -6.280 25776 13525 1 18 . 1 1 11 11 GLY C C 11 171.959 171.959 172.295 -0.336 25776 13526 1 18 . 1 1 11 11 GLY CA C 11 45.207 45.207 46.012 -0.805 25776 13527 1 18 . 1 1 11 11 GLY H H 11 8.885 8.885 8.839 0.046 25776 13528 1 18 . 1 1 12 12 GLY N N 12 107.818 107.818 108.366 -0.548 25776 13529 1 18 . 1 1 12 12 GLY C C 12 171.465 171.465 171.906 -0.441 25776 13530 1 18 . 1 1 12 12 GLY CA C 12 47.313 47.313 43.508 3.805 25776 13531 1 18 . 1 1 12 12 GLY H H 12 8.433 8.433 7.987 0.446 25776 13532 1 18 . 1 1 13 13 PHE N N 13 120.233 120.233 114.775 5.458 25776 13533 1 18 . 1 1 13 13 PHE C C 13 174.056 174.056 174.309 -0.253 25776 13534 1 18 . 1 1 13 13 PHE CA C 13 57.151 57.151 56.247 0.904 25776 13535 1 18 . 1 1 13 13 PHE CB C 13 41.625 41.625 41.651 -0.026 25776 13536 1 18 . 1 1 13 13 PHE H H 13 8.606 8.606 7.921 0.685 25776 13537 1 18 . 1 1 18 18 PRO C C 18 176.552 176.552 175.866 0.686 25776 13538 1 18 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.920 1.171 25776 13539 1 18 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.428 1.221 25776 13540 1 18 . 1 1 19 19 ASP N N 19 121.094 121.094 119.185 1.909 25776 13541 1 18 . 1 1 19 19 ASP C C 19 176.047 176.047 175.477 0.570 25776 13542 1 18 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.220 1.054 25776 13543 1 18 . 1 1 19 19 ASP CB C 19 42.043 42.043 41.300 0.743 25776 13544 1 18 . 1 1 19 19 ASP H H 19 8.372 8.372 8.428 -0.056 25776 13545 1 18 . 1 1 20 20 ASP N N 20 123.179 123.179 118.722 4.457 25776 13546 1 18 . 1 1 20 20 ASP C C 20 176.790 176.790 177.298 -0.508 25776 13547 1 18 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.588 -0.493 25776 13548 1 18 . 1 1 20 20 ASP CB C 20 41.834 41.834 40.811 1.023 25776 13549 1 18 . 1 1 20 20 ASP H H 20 8.357 8.357 8.099 0.258 25776 13550 1 18 . 1 1 21 21 SER N N 21 117.319 117.319 114.379 2.940 25776 13551 1 18 . 1 1 21 21 SER C C 21 175.218 175.218 174.375 0.843 25776 13552 1 18 . 1 1 21 21 SER CA C 21 60.134 60.134 60.121 0.013 25776 13553 1 18 . 1 1 21 21 SER CB C 21 64.701 64.701 63.489 1.212 25776 13554 1 18 . 1 1 21 21 SER H H 21 8.398 8.398 8.533 -0.135 25776 13555 1 18 . 1 1 22 22 SER N N 22 117.994 117.994 114.936 3.058 25776 13556 1 18 . 1 1 22 22 SER C C 22 174.877 174.877 172.867 2.010 25776 13557 1 18 . 1 1 22 22 SER CA C 22 59.839 59.839 57.861 1.978 25776 13558 1 18 . 1 1 22 22 SER CB C 22 64.669 64.669 64.609 0.060 25776 13559 1 18 . 1 1 22 22 SER H H 22 8.314 8.314 7.836 0.478 25776 13560 1 18 . 1 1 23 23 SER N N 23 117.809 117.809 118.033 -0.224 25776 13561 1 18 . 1 1 23 23 SER C C 23 174.298 174.298 172.625 1.673 25776 13562 1 18 . 1 1 23 23 SER CA C 23 59.629 59.629 57.688 1.941 25776 13563 1 18 . 1 1 23 23 SER CB C 23 64.802 64.802 63.921 0.881 25776 13564 1 18 . 1 1 23 23 SER H H 23 8.143 8.143 7.907 0.236 25776 13565 1 18 . 1 1 24 24 ASP N N 24 122.829 122.829 120.990 1.839 25776 13566 1 18 . 1 1 24 24 ASP C C 24 176.250 176.250 176.356 -0.106 25776 13567 1 18 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.149 1.344 25776 13568 1 18 . 1 1 24 24 ASP CB C 24 41.841 41.841 42.275 -0.434 25776 13569 1 18 . 1 1 24 24 ASP H H 24 8.234 8.234 8.686 -0.452 25776 13570 1 18 . 1 1 25 25 ILE N N 25 120.717 120.717 117.137 3.580 25776 13571 1 18 . 1 1 25 25 ILE C C 25 176.204 176.204 175.344 0.860 25776 13572 1 18 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.970 0.586 25776 13573 1 18 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.520 1.148 25776 13574 1 18 . 1 1 25 25 ILE H H 25 7.884 7.884 7.702 0.182 25776 13575 1 18 . 1 1 26 26 LYS N N 26 124.527 124.527 120.517 4.010 25776 13576 1 18 . 1 1 26 26 LYS C C 26 176.616 176.616 176.624 -0.008 25776 13577 1 18 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.529 0.663 25776 13578 1 18 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.647 0.162 25776 13579 1 18 . 1 1 26 26 LYS H H 26 8.164 8.164 7.689 0.475 25776 13580 1 18 . 1 1 27 27 LEU N N 27 123.292 123.292 120.720 2.572 25776 13581 1 18 . 1 1 27 27 LEU C C 27 177.077 177.077 176.396 0.681 25776 13582 1 18 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.840 1.333 25776 13583 1 18 . 1 1 27 27 LEU CB C 27 43.317 43.317 41.533 1.784 25776 13584 1 18 . 1 1 27 27 LEU H H 27 8.100 8.100 8.223 -0.123 25776 13585 1 18 . 1 1 28 28 ASP N N 28 121.059 121.059 119.874 1.185 25776 13586 1 18 . 1 1 28 28 ASP C C 28 176.929 176.929 177.135 -0.206 25776 13587 1 18 . 1 1 28 28 ASP CA C 28 55.348 55.348 55.891 -0.543 25776 13588 1 18 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.055 1.020 25776 13589 1 18 . 1 1 28 28 ASP H H 28 8.209 8.209 8.485 -0.276 25776 13590 1 18 . 1 1 29 29 GLY N N 29 110.032 110.032 104.007 6.025 25776 13591 1 18 . 1 1 29 29 GLY C C 29 174.364 174.364 172.976 1.388 25776 13592 1 18 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.884 1.994 25776 13593 1 18 . 1 1 29 29 GLY H H 29 8.274 8.274 8.029 0.245 25776 13594 1 18 . 1 1 30 30 ALA N N 30 124.102 124.102 123.394 0.708 25776 13595 1 18 . 1 1 30 30 ALA C C 30 178.005 178.005 177.619 0.386 25776 13596 1 18 . 1 1 30 30 ALA CA C 30 53.824 53.824 53.249 0.575 25776 13597 1 18 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.389 -0.262 25776 13598 1 18 . 1 1 30 30 ALA H H 30 8.085 8.085 8.262 -0.177 25776 13599 1 18 . 1 1 31 31 LYS N N 31 119.810 119.810 117.115 2.695 25776 13600 1 18 . 1 1 31 31 LYS C C 31 176.650 176.650 176.268 0.382 25776 13601 1 18 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.608 0.864 25776 13602 1 18 . 1 1 31 31 LYS CB C 31 33.948 33.948 33.999 -0.051 25776 13603 1 18 . 1 1 31 31 LYS H H 31 8.075 8.075 8.304 -0.229 25776 13604 1 18 . 1 1 32 32 GLN N N 32 121.045 121.045 119.513 1.532 25776 13605 1 18 . 1 1 32 32 GLN C C 32 175.862 175.862 175.860 0.002 25776 13606 1 18 . 1 1 32 32 GLN CA C 32 56.939 56.939 56.308 0.631 25776 13607 1 18 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.510 0.684 25776 13608 1 18 . 1 1 32 32 GLN H H 32 8.182 8.182 8.395 -0.213 25776 13609 1 18 . 1 1 33 33 ARG N N 33 122.683 122.683 122.016 0.667 25776 13610 1 18 . 1 1 33 33 ARG C C 33 176.492 176.492 176.677 -0.185 25776 13611 1 18 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.380 0.702 25776 13612 1 18 . 1 1 33 33 ARG CB C 33 31.952 31.952 31.511 0.441 25776 13613 1 18 . 1 1 33 33 ARG H H 33 8.288 8.288 8.520 -0.232 25776 13614 1 18 . 1 1 36 36 LYS C C 36 176.028 176.028 175.124 0.904 25776 13615 1 18 . 1 1 36 36 LYS CA C 36 57.223 57.223 57.163 0.060 25776 13616 1 18 . 1 1 36 36 LYS CB C 36 34.262 34.262 33.358 0.904 25776 13617 1 18 . 1 1 37 37 ALA N N 37 125.793 125.793 123.376 2.417 25776 13618 1 18 . 1 1 37 37 ALA C C 37 177.567 177.567 176.614 0.953 25776 13619 1 18 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.095 1.473 25776 13620 1 18 . 1 1 37 37 ALA CB C 37 20.408 20.408 20.048 0.360 25776 13621 1 18 . 1 1 37 37 ALA H H 37 8.329 8.329 7.718 0.611 25776 13622 1 18 . 1 1 38 38 THR N N 38 113.398 113.398 114.063 -0.665 25776 13623 1 18 . 1 1 38 38 THR C C 38 174.556 174.556 175.248 -0.692 25776 13624 1 18 . 1 1 38 38 THR CA C 38 62.551 62.551 61.344 1.207 25776 13625 1 18 . 1 1 38 38 THR CB C 38 71.054 71.054 69.445 1.609 25776 13626 1 18 . 1 1 38 38 THR H H 38 8.007 8.007 7.703 0.304 25776 13627 1 18 . 1 1 39 39 VAL N N 39 120.865 120.865 121.331 -0.466 25776 13628 1 18 . 1 1 39 39 VAL C C 39 175.523 175.523 175.681 -0.158 25776 13629 1 18 . 1 1 39 39 VAL CA C 39 63.100 63.100 63.374 -0.274 25776 13630 1 18 . 1 1 39 39 VAL CB C 39 34.044 34.044 31.803 2.241 25776 13631 1 18 . 1 1 39 39 VAL H H 39 8.043 8.043 8.447 -0.404 25776 13632 1 18 . 1 1 40 40 ASP N N 40 124.053 124.053 119.688 4.365 25776 13633 1 18 . 1 1 40 40 ASP C C 40 176.132 176.132 175.290 0.842 25776 13634 1 18 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.659 0.622 25776 13635 1 18 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.009 1.210 25776 13636 1 18 . 1 1 40 40 ASP H H 40 8.333 8.333 8.307 0.026 25776 13637 1 18 . 1 1 41 41 SER N N 41 115.655 115.655 117.864 -2.209 25776 13638 1 18 . 1 1 41 41 SER C C 41 174.147 174.147 174.477 -0.330 25776 13639 1 18 . 1 1 41 41 SER CA C 41 59.367 59.367 58.549 0.818 25776 13640 1 18 . 1 1 41 41 SER CB C 41 65.027 65.027 63.476 1.551 25776 13641 1 18 . 1 1 41 41 SER H H 41 8.142 8.142 8.343 -0.201 25776 13642 1 18 . 1 1 42 42 ASP N N 42 123.005 123.005 126.690 -3.685 25776 13643 1 18 . 1 1 42 42 ASP C C 42 176.578 176.578 175.915 0.663 25776 13644 1 18 . 1 1 42 42 ASP CA C 42 55.439 55.439 55.161 0.278 25776 13645 1 18 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.239 1.165 25776 13646 1 18 . 1 1 42 42 ASP H H 42 8.433 8.433 8.815 -0.382 25776 13647 1 18 . 1 1 43 43 THR C C 43 176.244 176.244 175.187 1.057 25776 13648 1 18 . 1 1 43 43 THR CA C 43 62.772 62.772 62.606 0.166 25776 13649 1 18 . 1 1 43 43 THR CB C 43 71.018 71.018 69.556 1.462 25776 13650 1 18 . 1 1 44 44 GLN N N 44 123.824 123.824 122.112 1.712 25776 13651 1 18 . 1 1 44 44 GLN C C 44 177.061 177.061 175.615 1.446 25776 13652 1 18 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.835 1.444 25776 13653 1 18 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.463 4.199 25776 13654 1 18 . 1 1 44 44 GLN H H 44 8.270 8.270 7.566 0.704 25776 13655 1 18 . 1 1 45 45 LEU N N 45 122.159 122.159 126.475 -4.316 25776 13656 1 18 . 1 1 45 45 LEU C C 45 176.419 176.419 175.945 0.474 25776 13657 1 18 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.207 1.911 25776 13658 1 18 . 1 1 45 45 LEU CB C 45 42.621 42.621 45.199 -2.578 25776 13659 1 18 . 1 1 45 45 LEU H H 45 7.940 7.940 8.516 -0.576 25776 13660 1 18 . 1 1 46 46 GLY N N 46 107.861 107.861 108.105 -0.244 25776 13661 1 18 . 1 1 46 46 GLY C C 46 171.538 171.538 172.009 -0.471 25776 13662 1 18 . 1 1 46 46 GLY CA C 46 44.775 44.775 45.558 -0.783 25776 13663 1 18 . 1 1 46 46 GLY H H 46 8.566 8.566 7.973 0.593 25776 13664 1 18 . 1 1 47 47 LEU N N 47 122.959 122.959 123.599 -0.640 25776 13665 1 18 . 1 1 47 47 LEU C C 47 175.422 175.422 175.330 0.092 25776 13666 1 18 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.719 0.612 25776 13667 1 18 . 1 1 47 47 LEU CB C 47 48.343 48.343 45.629 2.714 25776 13668 1 18 . 1 1 47 47 LEU H H 47 8.457 8.457 8.017 0.440 25776 13669 1 18 . 1 1 48 48 THR N N 48 112.144 112.144 115.903 -3.759 25776 13670 1 18 . 1 1 48 48 THR C C 48 172.347 172.347 173.013 -0.666 25776 13671 1 18 . 1 1 48 48 THR CA C 48 59.573 59.573 61.475 -1.902 25776 13672 1 18 . 1 1 48 48 THR CB C 48 72.843 72.843 71.784 1.059 25776 13673 1 18 . 1 1 48 48 THR H H 48 8.814 8.814 9.159 -0.345 25776 13674 1 18 . 1 1 49 49 PHE N N 49 118.787 118.787 127.502 -8.715 25776 13675 1 18 . 1 1 49 49 PHE C C 49 174.623 174.623 175.455 -0.832 25776 13676 1 18 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.877 -1.140 25776 13677 1 18 . 1 1 49 49 PHE CB C 49 42.986 42.986 39.048 3.938 25776 13678 1 18 . 1 1 49 49 PHE H H 49 8.455 8.455 8.709 -0.254 25776 13679 1 18 . 1 1 50 50 THR N N 50 121.279 121.279 119.964 1.315 25776 13680 1 18 . 1 1 50 50 THR C C 50 173.272 173.272 173.355 -0.083 25776 13681 1 18 . 1 1 50 50 THR CA C 50 63.315 63.315 62.090 1.225 25776 13682 1 18 . 1 1 50 50 THR CB C 50 74.327 74.327 70.075 4.252 25776 13683 1 18 . 1 1 50 50 THR H H 50 9.372 9.372 8.568 0.804 25776 13684 1 18 . 1 1 51 51 TYR N N 51 126.005 126.005 122.305 3.700 25776 13685 1 18 . 1 1 51 51 TYR C C 51 174.837 174.837 174.378 0.459 25776 13686 1 18 . 1 1 51 51 TYR CA C 51 56.860 56.860 57.187 -0.327 25776 13687 1 18 . 1 1 51 51 TYR CB C 51 42.447 42.447 41.756 0.691 25776 13688 1 18 . 1 1 51 51 TYR H H 51 9.157 9.157 8.326 0.831 25776 13689 1 18 . 1 1 52 52 MET N N 52 127.601 127.601 121.883 5.718 25776 13690 1 18 . 1 1 52 52 MET C C 52 174.466 174.466 175.343 -0.877 25776 13691 1 18 . 1 1 52 52 MET CA C 52 53.171 53.171 54.797 -1.626 25776 13692 1 18 . 1 1 52 52 MET CB C 52 29.467 29.467 34.549 -5.082 25776 13693 1 18 . 1 1 52 52 MET H H 52 7.998 7.998 8.584 -0.586 25776 13694 1 18 . 1 1 53 53 PHE N N 53 123.918 123.918 122.218 1.700 25776 13695 1 18 . 1 1 53 53 PHE C C 53 173.685 173.685 175.852 -2.167 25776 13696 1 18 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.719 0.895 25776 13697 1 18 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.356 -2.245 25776 13698 1 18 . 1 1 53 53 PHE H H 53 7.762 7.762 9.511 -1.749 25776 13699 1 18 . 1 1 54 54 ALA N N 54 125.892 125.892 123.208 2.684 25776 13700 1 18 . 1 1 54 54 ALA C C 54 174.976 174.976 178.802 -3.826 25776 13701 1 18 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.579 -2.136 25776 13702 1 18 . 1 1 54 54 ALA CB C 54 23.534 23.534 19.063 4.471 25776 13703 1 18 . 1 1 54 54 ALA H H 54 8.396 8.396 8.670 -0.274 25776 13704 1 18 . 1 1 55 55 ASP N N 55 118.951 118.951 118.913 0.038 25776 13705 1 18 . 1 1 55 55 ASP C C 55 174.777 174.777 175.490 -0.713 25776 13706 1 18 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.984 2.155 25776 13707 1 18 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.908 0.040 25776 13708 1 18 . 1 1 55 55 ASP H H 55 8.632 8.632 8.898 -0.266 25776 13709 1 18 . 1 1 56 56 LYS N N 56 106.363 106.363 113.783 -7.420 25776 13710 1 18 . 1 1 56 56 LYS C C 56 174.930 174.930 174.623 0.307 25776 13711 1 18 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.492 -0.622 25776 13712 1 18 . 1 1 56 56 LYS CB C 56 35.437 35.437 31.187 4.250 25776 13713 1 18 . 1 1 56 56 LYS H H 56 7.300 7.300 8.523 -1.223 25776 13714 1 18 . 1 1 57 57 TRP N N 57 115.784 115.784 122.838 -7.054 25776 13715 1 18 . 1 1 57 57 TRP C C 57 173.960 173.960 175.163 -1.203 25776 13716 1 18 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.439 -1.482 25776 13717 1 18 . 1 1 57 57 TRP CB C 57 35.176 35.176 33.233 1.943 25776 13718 1 18 . 1 1 57 57 TRP H H 57 6.612 6.612 8.164 -1.552 25776 13719 1 18 . 1 1 58 58 GLY N N 58 107.657 107.657 111.083 -3.426 25776 13720 1 18 . 1 1 58 58 GLY C C 58 172.720 172.720 172.164 0.556 25776 13721 1 18 . 1 1 58 58 GLY CA C 58 45.784 45.784 44.906 0.878 25776 13722 1 18 . 1 1 58 58 GLY H H 58 9.271 9.271 8.583 0.688 25776 13723 1 18 . 1 1 59 59 VAL N N 59 118.434 118.434 126.114 -7.680 25776 13724 1 18 . 1 1 59 59 VAL C C 59 172.973 172.973 174.503 -1.530 25776 13725 1 18 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.983 -0.345 25776 13726 1 18 . 1 1 59 59 VAL CB C 59 36.036 36.036 34.042 1.994 25776 13727 1 18 . 1 1 59 59 VAL H H 59 9.080 9.080 8.974 0.106 25776 13728 1 18 . 1 1 60 60 GLU N N 60 127.915 127.915 126.027 1.888 25776 13729 1 18 . 1 1 60 60 GLU C C 60 174.464 174.464 174.468 -0.004 25776 13730 1 18 . 1 1 60 60 GLU CA C 60 53.751 53.751 53.960 -0.209 25776 13731 1 18 . 1 1 60 60 GLU CB C 60 36.042 36.042 34.312 1.730 25776 13732 1 18 . 1 1 60 60 GLU H H 60 9.431 9.431 8.918 0.513 25776 13733 1 18 . 1 1 61 61 LEU N N 61 127.764 127.764 118.593 9.171 25776 13734 1 18 . 1 1 61 61 LEU C C 61 174.746 174.746 175.669 -0.923 25776 13735 1 18 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.076 -0.085 25776 13736 1 18 . 1 1 61 61 LEU CB C 61 46.880 46.880 43.728 3.152 25776 13737 1 18 . 1 1 61 61 LEU H H 61 8.730 8.730 8.181 0.549 25776 13738 1 18 . 1 1 62 62 VAL N N 62 126.465 126.465 123.752 2.713 25776 13739 1 18 . 1 1 62 62 VAL C C 62 174.453 174.453 175.123 -0.670 25776 13740 1 18 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.025 1.260 25776 13741 1 18 . 1 1 62 62 VAL CB C 62 35.086 35.086 33.314 1.772 25776 13742 1 18 . 1 1 62 62 VAL H H 62 9.068 9.068 8.885 0.183 25776 13743 1 18 . 1 1 63 63 ALA N N 63 130.444 130.444 126.596 3.848 25776 13744 1 18 . 1 1 63 63 ALA C C 63 174.030 174.030 175.261 -1.231 25776 13745 1 18 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.698 -0.448 25776 13746 1 18 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.483 2.020 25776 13747 1 18 . 1 1 63 63 ALA H H 63 9.124 9.124 9.048 0.076 25776 13748 1 18 . 1 1 64 64 ALA N N 64 121.285 121.285 125.486 -4.201 25776 13749 1 18 . 1 1 64 64 ALA C C 64 176.843 176.843 175.308 1.535 25776 13750 1 18 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.787 0.383 25776 13751 1 18 . 1 1 64 64 ALA CB C 64 23.172 23.172 22.136 1.036 25776 13752 1 18 . 1 1 64 64 ALA H H 64 7.995 7.995 8.378 -0.383 25776 13753 1 18 . 1 1 65 65 THR N N 65 109.734 109.734 114.700 -4.966 25776 13754 1 18 . 1 1 65 65 THR C C 65 176.739 176.739 173.414 3.325 25776 13755 1 18 . 1 1 65 65 THR CA C 65 61.660 61.660 58.640 3.020 25776 13756 1 18 . 1 1 65 65 THR CB C 65 68.341 68.341 70.377 -2.036 25776 13757 1 18 . 1 1 65 65 THR H H 65 8.108 8.108 8.430 -0.322 25776 13758 1 18 . 1 1 67 67 PHE N N 67 123.676 123.676 114.663 9.013 25776 13759 1 18 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.859 -1.010 25776 13760 1 18 . 1 1 67 67 PHE H H 67 8.382 8.382 8.343 0.039 25776 13761 1 18 . 1 1 74 74 LYS C C 74 177.704 177.704 177.584 0.120 25776 13762 1 18 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.794 -0.766 25776 13763 1 18 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.556 1.506 25776 13764 1 18 . 1 1 75 75 GLY N N 75 108.841 108.841 106.895 1.946 25776 13765 1 18 . 1 1 75 75 GLY C C 75 174.405 174.405 173.312 1.093 25776 13766 1 18 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.380 2.332 25776 13767 1 18 . 1 1 75 75 GLY H H 75 8.069 8.069 7.805 0.264 25776 13768 1 18 . 1 1 76 76 LEU N N 76 120.093 120.093 119.743 0.350 25776 13769 1 18 . 1 1 76 76 LEU C C 76 176.997 176.997 177.106 -0.109 25776 13770 1 18 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.555 1.625 25776 13771 1 18 . 1 1 76 76 LEU CB C 76 45.997 45.997 41.957 4.040 25776 13772 1 18 . 1 1 76 76 LEU H H 76 7.623 7.623 8.361 -0.738 25776 13773 1 18 . 1 1 79 79 GLY C C 79 175.675 175.675 171.694 3.981 25776 13774 1 18 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.601 2.498 25776 13775 1 18 . 1 1 80 80 LEU N N 80 130.062 130.062 121.833 8.229 25776 13776 1 18 . 1 1 80 80 LEU C C 80 176.062 176.062 175.180 0.882 25776 13777 1 18 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.257 0.147 25776 13778 1 18 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.669 -0.663 25776 13779 1 18 . 1 1 80 80 LEU H H 80 9.441 9.441 8.166 1.275 25776 13780 1 18 . 1 1 81 81 ASP N N 81 124.816 124.816 126.721 -1.905 25776 13781 1 18 . 1 1 81 81 ASP C C 81 178.992 178.992 176.410 2.582 25776 13782 1 18 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.956 1.813 25776 13783 1 18 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.437 0.510 25776 13784 1 18 . 1 1 81 81 ASP H H 81 7.854 7.854 8.519 -0.665 25776 13785 1 18 . 1 1 91 91 PRO C C 91 175.297 175.297 175.364 -0.067 25776 13786 1 18 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.183 -1.350 25776 13787 1 18 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.627 0.904 25776 13788 1 18 . 1 1 92 92 ALA N N 92 123.521 123.521 121.227 2.294 25776 13789 1 18 . 1 1 92 92 ALA C C 92 175.643 175.643 175.941 -0.298 25776 13790 1 18 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.920 1.755 25776 13791 1 18 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.621 0.104 25776 13792 1 18 . 1 1 92 92 ALA H H 92 8.829 8.829 8.163 0.666 25776 13793 1 18 . 1 1 93 93 THR N N 93 117.599 117.599 116.614 0.985 25776 13794 1 18 . 1 1 93 93 THR C C 93 171.440 171.440 173.044 -1.604 25776 13795 1 18 . 1 1 93 93 THR CA C 93 62.066 62.066 61.020 1.046 25776 13796 1 18 . 1 1 93 93 THR CB C 93 72.352 72.352 71.258 1.094 25776 13797 1 18 . 1 1 93 93 THR H H 93 8.237 8.237 8.379 -0.142 25776 13798 1 18 . 1 1 94 94 LEU N N 94 129.530 129.530 128.864 0.666 25776 13799 1 18 . 1 1 94 94 LEU C C 94 174.995 174.995 174.141 0.854 25776 13800 1 18 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.684 0.510 25776 13801 1 18 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.889 2.276 25776 13802 1 18 . 1 1 94 94 LEU H H 94 8.732 8.732 8.444 0.288 25776 13803 1 18 . 1 1 95 95 LEU N N 95 124.181 124.181 123.168 1.013 25776 13804 1 18 . 1 1 95 95 LEU C C 95 175.270 175.270 174.532 0.738 25776 13805 1 18 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.548 0.985 25776 13806 1 18 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.339 0.333 25776 13807 1 18 . 1 1 95 95 LEU H H 95 9.485 9.485 8.839 0.646 25776 13808 1 18 . 1 1 96 96 LEU N N 96 123.444 123.444 121.351 2.093 25776 13809 1 18 . 1 1 96 96 LEU C C 96 174.997 174.997 175.002 -0.005 25776 13810 1 18 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.090 1.223 25776 13811 1 18 . 1 1 96 96 LEU CB C 96 45.148 45.148 45.992 -0.845 25776 13812 1 18 . 1 1 96 96 LEU H H 96 8.836 8.836 9.128 -0.292 25776 13813 1 18 . 1 1 97 97 GLN N N 97 121.545 121.545 122.069 -0.524 25776 13814 1 18 . 1 1 97 97 GLN C C 97 174.324 174.324 174.006 0.318 25776 13815 1 18 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.222 1.166 25776 13816 1 18 . 1 1 97 97 GLN CB C 97 37.524 37.524 33.005 4.519 25776 13817 1 18 . 1 1 97 97 GLN H H 97 9.566 9.566 8.687 0.879 25776 13818 1 18 . 1 1 98 98 TYR N N 98 122.246 122.246 117.839 4.407 25776 13819 1 18 . 1 1 98 98 TYR C C 98 173.409 173.409 176.061 -2.652 25776 13820 1 18 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.280 -0.625 25776 13821 1 18 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.497 1.711 25776 13822 1 18 . 1 1 98 98 TYR H H 98 9.053 9.053 9.401 -0.348 25776 13823 1 18 . 1 1 99 99 TYR N N 99 126.872 126.872 125.886 0.986 25776 13824 1 18 . 1 1 99 99 TYR C C 99 175.310 175.310 175.124 0.186 25776 13825 1 18 . 1 1 99 99 TYR CA C 99 54.756 54.756 57.071 -2.315 25776 13826 1 18 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.496 2.139 25776 13827 1 18 . 1 1 99 99 TYR H H 99 8.344 8.344 8.135 0.209 25776 13828 1 18 . 1 1 100 100 PRO C C 100 178.304 178.304 176.690 1.614 25776 13829 1 18 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.641 0.769 25776 13830 1 18 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.231 0.876 25776 13831 1 18 . 1 1 101 101 MET N N 101 114.703 114.703 116.931 -2.228 25776 13832 1 18 . 1 1 101 101 MET C C 101 178.218 178.218 175.497 2.721 25776 13833 1 18 . 1 1 101 101 MET CA C 101 54.147 54.147 55.119 -0.972 25776 13834 1 18 . 1 1 101 101 MET CB C 101 30.956 30.956 34.459 -3.503 25776 13835 1 18 . 1 1 101 101 MET H H 101 9.432 9.432 7.868 1.564 25776 13836 1 18 . 1 1 102 102 GLY N N 102 117.671 117.671 106.689 10.982 25776 13837 1 18 . 1 1 102 102 GLY C C 102 175.611 175.611 174.482 1.129 25776 13838 1 18 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.644 1.808 25776 13839 1 18 . 1 1 102 102 GLY H H 102 8.671 8.671 7.881 0.790 25776 13840 1 18 . 1 1 103 103 GLY N N 103 111.298 111.298 112.840 -1.542 25776 13841 1 18 . 1 1 103 103 GLY C C 103 174.054 174.054 174.597 -0.543 25776 13842 1 18 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.310 1.510 25776 13843 1 18 . 1 1 103 103 GLY H H 103 9.436 9.436 8.265 1.171 25776 13844 1 18 . 1 1 104 104 THR N N 104 109.330 109.330 118.065 -8.735 25776 13845 1 18 . 1 1 104 104 THR C C 104 174.248 174.248 174.730 -0.482 25776 13846 1 18 . 1 1 104 104 THR CA C 104 61.454 61.454 60.325 1.129 25776 13847 1 18 . 1 1 104 104 THR CB C 104 72.711 72.711 69.241 3.470 25776 13848 1 18 . 1 1 104 104 THR H H 104 7.321 7.321 7.664 -0.343 25776 13849 1 18 . 1 1 105 105 ASN C C 105 175.032 175.032 174.728 0.304 25776 13850 1 18 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.134 0.279 25776 13851 1 18 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.298 0.545 25776 13852 1 18 . 1 1 106 106 SER N N 106 113.116 113.116 115.025 -1.909 25776 13853 1 18 . 1 1 106 106 SER C C 106 175.961 175.961 174.675 1.286 25776 13854 1 18 . 1 1 106 106 SER CA C 106 59.289 59.289 57.895 1.394 25776 13855 1 18 . 1 1 106 106 SER CB C 106 65.208 65.208 63.374 1.833 25776 13856 1 18 . 1 1 106 106 SER H H 106 7.487 7.487 7.395 0.092 25776 13857 1 18 . 1 1 107 107 ALA N N 107 132.317 132.317 125.627 6.690 25776 13858 1 18 . 1 1 107 107 ALA C C 107 176.554 176.554 176.879 -0.325 25776 13859 1 18 . 1 1 107 107 ALA CA C 107 54.999 54.999 52.966 2.033 25776 13860 1 18 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.263 0.267 25776 13861 1 18 . 1 1 107 107 ALA H H 107 8.891 8.891 8.506 0.385 25776 13862 1 18 . 1 1 108 108 PHE N N 108 116.265 116.265 114.386 1.879 25776 13863 1 18 . 1 1 108 108 PHE C C 108 174.254 174.254 174.210 0.044 25776 13864 1 18 . 1 1 108 108 PHE CA C 108 56.664 56.664 54.889 1.775 25776 13865 1 18 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.570 1.665 25776 13866 1 18 . 1 1 108 108 PHE H H 108 7.592 7.592 7.305 0.287 25776 13867 1 18 . 1 1 109 109 GLN N N 109 128.401 128.401 123.077 5.324 25776 13868 1 18 . 1 1 109 109 GLN C C 109 172.298 172.298 174.462 -2.164 25776 13869 1 18 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.100 -0.163 25776 13870 1 18 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.665 0.315 25776 13871 1 18 . 1 1 109 109 GLN H H 109 9.095 9.095 8.715 0.380 25776 13872 1 18 . 1 1 110 110 PRO C C 110 175.005 175.005 175.888 -0.883 25776 13873 1 18 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.729 -0.505 25776 13874 1 18 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.853 1.276 25776 13875 1 18 . 1 1 111 111 TYR N N 111 115.731 115.731 118.611 -2.880 25776 13876 1 18 . 1 1 111 111 TYR C C 111 173.783 173.783 174.127 -0.344 25776 13877 1 18 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.810 -0.738 25776 13878 1 18 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.388 -3.953 25776 13879 1 18 . 1 1 111 111 TYR H H 111 8.510 8.510 9.218 -0.708 25776 13880 1 18 . 1 1 112 112 GLY N N 112 103.737 103.737 109.522 -5.785 25776 13881 1 18 . 1 1 112 112 GLY C C 112 172.014 172.014 172.435 -0.421 25776 13882 1 18 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.047 0.597 25776 13883 1 18 . 1 1 112 112 GLY H H 112 8.149 8.149 8.447 -0.298 25776 13884 1 18 . 1 1 113 113 GLY N N 113 108.372 108.372 109.220 -0.848 25776 13885 1 18 . 1 1 113 113 GLY C C 113 171.486 171.486 172.089 -0.603 25776 13886 1 18 . 1 1 113 113 GLY CA C 113 46.840 46.840 46.129 0.711 25776 13887 1 18 . 1 1 113 113 GLY H H 113 9.028 9.028 8.847 0.181 25776 13888 1 18 . 1 1 114 114 LEU N N 114 120.469 120.469 118.238 2.231 25776 13889 1 18 . 1 1 114 114 LEU C C 114 175.878 175.878 174.988 0.890 25776 13890 1 18 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.713 0.898 25776 13891 1 18 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.865 3.111 25776 13892 1 18 . 1 1 114 114 LEU H H 114 8.741 8.741 7.815 0.926 25776 13893 1 18 . 1 1 115 115 GLY N N 115 111.145 111.145 106.259 4.886 25776 13894 1 18 . 1 1 115 115 GLY C C 115 171.336 171.336 171.976 -0.640 25776 13895 1 18 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.414 2.441 25776 13896 1 18 . 1 1 115 115 GLY H H 115 8.952 8.952 8.319 0.633 25776 13897 1 18 . 1 1 116 116 VAL N N 116 118.641 118.641 115.007 3.634 25776 13898 1 18 . 1 1 116 116 VAL C C 116 172.617 172.617 173.829 -1.212 25776 13899 1 18 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.598 1.118 25776 13900 1 18 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.105 2.267 25776 13901 1 18 . 1 1 116 116 VAL H H 116 8.844 8.844 9.043 -0.199 25776 13902 1 18 . 1 1 117 117 ASN N N 117 123.839 123.839 121.598 2.241 25776 13903 1 18 . 1 1 117 117 ASN C C 117 171.105 171.105 173.629 -2.524 25776 13904 1 18 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.543 0.399 25776 13905 1 18 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.660 2.918 25776 13906 1 18 . 1 1 117 117 ASN H H 117 9.647 9.647 8.664 0.983 25776 13907 1 18 . 1 1 118 118 TYR N N 118 125.160 125.160 125.473 -0.313 25776 13908 1 18 . 1 1 118 118 TYR C C 118 174.349 174.349 174.059 0.290 25776 13909 1 18 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.380 -0.823 25776 13910 1 18 . 1 1 118 118 TYR CB C 118 42.564 42.564 43.254 -0.690 25776 13911 1 18 . 1 1 118 118 TYR H H 118 8.989 8.989 8.856 0.133 25776 13912 1 18 . 1 1 119 119 THR N N 119 124.319 124.319 124.044 0.275 25776 13913 1 18 . 1 1 119 119 THR C C 119 171.231 171.231 173.538 -2.307 25776 13914 1 18 . 1 1 119 119 THR CA C 119 62.951 62.951 61.293 1.658 25776 13915 1 18 . 1 1 119 119 THR CB C 119 72.427 72.427 70.266 2.161 25776 13916 1 18 . 1 1 119 119 THR H H 119 8.806 8.806 8.217 0.589 25776 13917 1 18 . 1 1 120 120 THR N N 120 119.978 119.978 120.900 -0.922 25776 13918 1 18 . 1 1 120 120 THR C C 120 171.174 171.174 173.877 -2.703 25776 13919 1 18 . 1 1 120 120 THR CA C 120 59.197 59.197 61.979 -2.782 25776 13920 1 18 . 1 1 120 120 THR CB C 120 72.088 72.088 70.037 2.051 25776 13921 1 18 . 1 1 120 120 THR H H 120 7.559 7.559 8.494 -0.935 25776 13922 1 18 . 1 1 121 121 PHE C C 121 175.289 175.289 174.260 1.029 25776 13923 1 18 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.512 2.857 25776 13924 1 18 . 1 1 122 122 PHE N N 122 117.578 117.578 124.404 -6.826 25776 13925 1 18 . 1 1 122 122 PHE C C 122 172.555 172.555 175.414 -2.859 25776 13926 1 18 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.140 -1.256 25776 13927 1 18 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.687 -0.456 25776 13928 1 18 . 1 1 122 122 PHE H H 122 8.541 8.541 8.412 0.129 25776 13929 1 18 . 1 1 123 123 ASP N N 123 116.448 116.448 120.536 -4.088 25776 13930 1 18 . 1 1 123 123 ASP C C 123 175.240 175.240 175.650 -0.410 25776 13931 1 18 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.744 1.090 25776 13932 1 18 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.605 -1.762 25776 13933 1 18 . 1 1 123 123 ASP H H 123 8.940 8.940 8.703 0.237 25776 13934 1 18 . 1 1 124 124 GLU C C 124 177.545 177.545 176.276 1.269 25776 13935 1 18 . 1 1 124 124 GLU CA C 124 59.890 59.890 57.298 2.592 25776 13936 1 18 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.228 -0.770 25776 13937 1 18 . 1 1 125 125 ASP N N 125 126.424 126.424 124.801 1.623 25776 13938 1 18 . 1 1 125 125 ASP C C 125 176.191 176.191 176.087 0.104 25776 13939 1 18 . 1 1 125 125 ASP CA C 125 54.011 54.011 53.925 0.086 25776 13940 1 18 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.008 2.541 25776 13941 1 18 . 1 1 125 125 ASP H H 125 9.100 9.100 8.754 0.346 25776 13942 1 18 . 1 1 126 126 LEU N N 126 127.990 127.990 119.869 8.121 25776 13943 1 18 . 1 1 126 126 LEU C C 126 175.808 175.808 176.349 -0.541 25776 13944 1 18 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.085 1.183 25776 13945 1 18 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.771 2.085 25776 13946 1 18 . 1 1 126 126 LEU H H 126 8.570 8.570 7.659 0.911 25776 13947 1 18 . 1 1 127 127 ALA N N 127 124.126 124.126 123.951 0.175 25776 13948 1 18 . 1 1 127 127 ALA C C 127 179.833 179.833 176.768 3.065 25776 13949 1 18 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.306 0.415 25776 13950 1 18 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.083 0.976 25776 13951 1 18 . 1 1 127 127 ALA H H 127 7.885 7.885 7.950 -0.065 25776 13952 1 18 . 1 1 129 129 ASN C C 129 176.927 176.927 175.243 1.684 25776 13953 1 18 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.443 -0.970 25776 13954 1 18 . 1 1 130 130 ARG N N 130 117.748 117.748 121.595 -3.847 25776 13955 1 18 . 1 1 130 130 ARG C C 130 179.430 179.430 177.841 1.589 25776 13956 1 18 . 1 1 130 130 ARG CA C 130 56.843 56.843 57.899 -1.056 25776 13957 1 18 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.678 -0.352 25776 13958 1 18 . 1 1 130 130 ARG H H 130 7.435 7.435 8.385 -0.950 25776 13959 1 18 . 1 1 131 131 LYS N N 131 122.261 122.261 119.863 2.398 25776 13960 1 18 . 1 1 131 131 LYS C C 131 180.937 180.937 178.583 2.354 25776 13961 1 18 . 1 1 131 131 LYS CA C 131 60.461 60.461 59.057 1.403 25776 13962 1 18 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.938 0.973 25776 13963 1 18 . 1 1 131 131 LYS H H 131 7.945 7.945 8.311 -0.366 25776 13964 1 18 . 1 1 132 132 ALA N N 132 122.083 122.083 120.908 1.175 25776 13965 1 18 . 1 1 132 132 ALA C C 132 178.748 178.748 178.455 0.293 25776 13966 1 18 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.042 1.327 25776 13967 1 18 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.263 0.866 25776 13968 1 18 . 1 1 132 132 ALA H H 132 7.770 7.770 8.187 -0.417 25776 13969 1 18 . 1 1 133 133 GLN N N 133 116.102 116.102 118.359 -2.257 25776 13970 1 18 . 1 1 133 133 GLN C C 133 175.525 175.525 175.815 -0.290 25776 13971 1 18 . 1 1 133 133 GLN CA C 133 57.098 57.098 54.507 2.591 25776 13972 1 18 . 1 1 133 133 GLN CB C 133 30.355 30.355 28.828 1.527 25776 13973 1 18 . 1 1 133 133 GLN H H 133 7.302 7.302 7.709 -0.407 25776 13974 1 18 . 1 1 134 134 GLY N N 134 104.444 104.444 108.142 -3.698 25776 13975 1 18 . 1 1 134 134 GLY C C 134 174.460 174.460 173.616 0.844 25776 13976 1 18 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.845 0.037 25776 13977 1 18 . 1 1 134 134 GLY H H 134 7.596 7.596 7.905 -0.309 25776 13978 1 18 . 1 1 135 135 PHE N N 135 119.775 119.775 118.572 1.203 25776 13979 1 18 . 1 1 135 135 PHE C C 135 174.922 174.922 174.692 0.230 25776 13980 1 18 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.716 2.178 25776 13981 1 18 . 1 1 135 135 PHE CB C 135 40.291 40.291 41.885 -1.594 25776 13982 1 18 . 1 1 135 135 PHE H H 135 7.737 7.737 7.579 0.158 25776 13983 1 18 . 1 1 136 136 SER N N 136 115.673 115.673 120.937 -5.264 25776 13984 1 18 . 1 1 136 136 SER C C 136 174.415 174.415 174.031 0.384 25776 13985 1 18 . 1 1 136 136 SER CA C 136 59.679 59.679 59.731 -0.052 25776 13986 1 18 . 1 1 136 136 SER CB C 136 66.246 66.246 64.176 2.070 25776 13987 1 18 . 1 1 136 136 SER H H 136 8.862 8.862 8.778 0.084 25776 13988 1 18 . 1 1 137 137 SER N N 137 114.341 114.341 115.062 -0.721 25776 13989 1 18 . 1 1 137 137 SER C C 137 172.164 172.164 173.110 -0.946 25776 13990 1 18 . 1 1 137 137 SER CA C 137 58.955 58.955 57.861 1.094 25776 13991 1 18 . 1 1 137 137 SER CB C 137 65.592 65.592 65.305 0.287 25776 13992 1 18 . 1 1 137 137 SER H H 137 7.912 7.912 7.974 -0.062 25776 13993 1 18 . 1 1 138 138 MET N N 138 120.555 120.555 119.861 0.694 25776 13994 1 18 . 1 1 138 138 MET C C 138 173.189 173.189 174.451 -1.262 25776 13995 1 18 . 1 1 138 138 MET CA C 138 55.879 55.879 56.091 -0.212 25776 13996 1 18 . 1 1 138 138 MET CB C 138 36.962 36.962 34.127 2.835 25776 13997 1 18 . 1 1 138 138 MET H H 138 8.461 8.461 8.407 0.054 25776 13998 1 18 . 1 1 141 141 GLN C C 141 176.182 176.182 174.367 1.815 25776 13999 1 18 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.944 1.491 25776 14000 1 18 . 1 1 142 142 ASP N N 142 124.414 124.414 123.221 1.193 25776 14001 1 18 . 1 1 142 142 ASP C C 142 175.702 175.702 175.050 0.652 25776 14002 1 18 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.873 1.434 25776 14003 1 18 . 1 1 142 142 ASP CB C 142 41.738 41.738 42.201 -0.463 25776 14004 1 18 . 1 1 142 142 ASP H H 142 8.728 8.728 8.588 0.140 25776 14005 1 18 . 1 1 143 143 SER N N 143 114.920 114.920 118.695 -3.775 25776 14006 1 18 . 1 1 143 143 SER C C 143 172.289 172.289 172.737 -0.448 25776 14007 1 18 . 1 1 143 143 SER CA C 143 57.652 57.652 57.502 0.150 25776 14008 1 18 . 1 1 143 143 SER CB C 143 66.215 66.215 64.293 1.922 25776 14009 1 18 . 1 1 143 143 SER H H 143 8.703 8.703 8.305 0.398 25776 14010 1 18 . 1 1 144 144 TRP N N 144 126.444 126.444 120.790 5.654 25776 14011 1 18 . 1 1 144 144 TRP C C 144 177.307 177.307 174.608 2.699 25776 14012 1 18 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.961 0.914 25776 14013 1 18 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.906 2.458 25776 14014 1 18 . 1 1 144 144 TRP H H 144 8.101 8.101 7.594 0.507 25776 14015 1 18 . 1 1 145 145 GLY N N 145 108.757 108.757 108.526 0.231 25776 14016 1 18 . 1 1 145 145 GLY C C 145 171.985 171.985 173.060 -1.075 25776 14017 1 18 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.001 2.547 25776 14018 1 18 . 1 1 145 145 GLY H H 145 8.889 8.889 8.294 0.595 25776 14019 1 18 . 1 1 146 146 LEU N N 146 121.579 121.579 123.218 -1.639 25776 14020 1 18 . 1 1 146 146 LEU C C 146 174.909 174.909 176.502 -1.593 25776 14021 1 18 . 1 1 146 146 LEU CA C 146 56.175 56.175 55.776 0.399 25776 14022 1 18 . 1 1 146 146 LEU CB C 146 45.163 45.163 42.547 2.616 25776 14023 1 18 . 1 1 146 146 LEU H H 146 9.035 9.035 8.434 0.601 25776 14024 1 18 . 1 1 147 147 ALA N N 147 121.342 121.342 125.896 -4.554 25776 14025 1 18 . 1 1 147 147 ALA C C 147 175.588 175.588 177.001 -1.413 25776 14026 1 18 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.908 1.026 25776 14027 1 18 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.210 2.894 25776 14028 1 18 . 1 1 147 147 ALA H H 147 8.123 8.123 9.094 -0.971 25776 14029 1 18 . 1 1 148 148 GLY N N 148 106.598 106.598 107.756 -1.158 25776 14030 1 18 . 1 1 148 148 GLY C C 148 171.829 171.829 171.597 0.232 25776 14031 1 18 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.046 -0.298 25776 14032 1 18 . 1 1 148 148 GLY H H 148 9.216 9.216 8.004 1.212 25776 14033 1 18 . 1 1 149 149 GLU N N 149 122.775 122.775 123.225 -0.450 25776 14034 1 18 . 1 1 149 149 GLU C C 149 174.078 174.078 174.070 0.008 25776 14035 1 18 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.274 0.528 25776 14036 1 18 . 1 1 149 149 GLU CB C 149 38.415 38.415 34.251 4.164 25776 14037 1 18 . 1 1 149 149 GLU H H 149 8.493 8.493 8.656 -0.163 25776 14038 1 18 . 1 1 150 150 LEU N N 150 126.310 126.310 126.713 -0.403 25776 14039 1 18 . 1 1 150 150 LEU C C 150 174.309 174.309 174.806 -0.497 25776 14040 1 18 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.386 0.556 25776 14041 1 18 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.782 2.709 25776 14042 1 18 . 1 1 150 150 LEU H H 150 8.580 8.580 8.096 0.484 25776 14043 1 18 . 1 1 151 151 GLY N N 151 109.909 109.909 113.344 -3.435 25776 14044 1 18 . 1 1 151 151 GLY C C 151 170.538 170.538 171.975 -1.437 25776 14045 1 18 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.412 0.208 25776 14046 1 18 . 1 1 151 151 GLY H H 151 8.115 8.115 9.104 -0.990 25776 14047 1 18 . 1 1 152 152 PHE N N 152 111.012 111.012 114.477 -3.465 25776 14048 1 18 . 1 1 152 152 PHE C C 152 171.455 171.455 173.037 -1.582 25776 14049 1 18 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.138 2.574 25776 14050 1 18 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.767 0.729 25776 14051 1 18 . 1 1 152 152 PHE H H 152 8.365 8.365 8.973 -0.608 25776 14052 1 18 . 1 1 153 153 ASP N N 153 119.057 119.057 120.644 -1.587 25776 14053 1 18 . 1 1 153 153 ASP C C 153 176.522 176.522 175.065 1.457 25776 14054 1 18 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.163 0.303 25776 14055 1 18 . 1 1 153 153 ASP CB C 153 45.097 45.097 42.482 2.615 25776 14056 1 18 . 1 1 153 153 ASP H H 153 8.014 8.014 8.827 -0.813 25776 14057 1 18 . 1 1 154 154 TYR N N 154 123.640 123.640 125.840 -2.200 25776 14058 1 18 . 1 1 154 154 TYR C C 154 175.593 175.593 175.391 0.202 25776 14059 1 18 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.106 0.782 25776 14060 1 18 . 1 1 154 154 TYR CB C 154 42.822 42.822 37.824 4.998 25776 14061 1 18 . 1 1 154 154 TYR H H 154 9.744 9.744 8.214 1.530 25776 14062 1 18 . 1 1 155 155 MET N N 155 126.409 126.409 120.981 5.428 25776 14063 1 18 . 1 1 155 155 MET C C 155 174.938 174.938 175.543 -0.605 25776 14064 1 18 . 1 1 155 155 MET CA C 155 55.410 55.410 56.363 -0.953 25776 14065 1 18 . 1 1 155 155 MET CB C 155 29.170 29.170 33.388 -4.218 25776 14066 1 18 . 1 1 155 155 MET H H 155 8.659 8.659 8.248 0.411 25776 14067 1 18 . 1 1 156 156 LEU N N 156 125.396 125.396 123.698 1.698 25776 14068 1 18 . 1 1 156 156 LEU C C 156 177.567 177.567 177.661 -0.094 25776 14069 1 18 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.486 1.087 25776 14070 1 18 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.497 0.415 25776 14071 1 18 . 1 1 156 156 LEU H H 156 9.232 9.232 8.584 0.648 25776 14072 1 18 . 1 1 157 157 ASN N N 157 114.903 114.903 114.284 0.619 25776 14073 1 18 . 1 1 157 157 ASN C C 157 173.568 173.568 175.776 -2.208 25776 14074 1 18 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.115 -1.923 25776 14075 1 18 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.767 0.143 25776 14076 1 18 . 1 1 157 157 ASN H H 157 8.099 8.099 8.185 -0.086 25776 14077 1 18 . 1 1 158 158 GLU N N 158 114.724 114.724 118.305 -3.581 25776 14078 1 18 . 1 1 158 158 GLU C C 158 176.032 176.032 177.381 -1.349 25776 14079 1 18 . 1 1 158 158 GLU CA C 158 60.678 60.678 57.877 2.801 25776 14080 1 18 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.410 0.105 25776 14081 1 18 . 1 1 158 158 GLU H H 158 8.625 8.625 8.694 -0.069 25776 14082 1 18 . 1 1 159 159 HIS N N 159 111.022 111.022 115.398 -4.376 25776 14083 1 18 . 1 1 159 159 HIS C C 159 173.158 173.158 173.786 -0.628 25776 14084 1 18 . 1 1 159 159 HIS CA C 159 57.436 57.436 55.872 1.564 25776 14085 1 18 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.919 1.473 25776 14086 1 18 . 1 1 159 159 HIS H H 159 8.201 8.201 8.208 -0.007 25776 14087 1 18 . 1 1 160 160 ALA N N 160 122.967 122.967 120.265 2.702 25776 14088 1 18 . 1 1 160 160 ALA C C 160 176.212 176.212 175.039 1.173 25776 14089 1 18 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.538 0.784 25776 14090 1 18 . 1 1 160 160 ALA CB C 160 22.426 22.426 21.200 1.226 25776 14091 1 18 . 1 1 160 160 ALA H H 160 8.389 8.389 7.621 0.768 25776 14092 1 18 . 1 1 161 161 LEU N N 161 116.648 116.648 114.944 1.704 25776 14093 1 18 . 1 1 161 161 LEU C C 161 174.922 174.922 175.172 -0.250 25776 14094 1 18 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.718 1.167 25776 14095 1 18 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.335 2.160 25776 14096 1 18 . 1 1 161 161 LEU H H 161 8.616 8.616 8.107 0.509 25776 14097 1 18 . 1 1 162 162 PHE N N 162 121.938 121.938 119.341 2.597 25776 14098 1 18 . 1 1 162 162 PHE C C 162 171.989 171.989 174.284 -2.295 25776 14099 1 18 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.419 0.599 25776 14100 1 18 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.274 1.815 25776 14101 1 18 . 1 1 162 162 PHE H H 162 9.221 9.221 8.431 0.790 25776 14102 1 18 . 1 1 163 163 ASN N N 163 127.932 127.932 122.361 5.571 25776 14103 1 18 . 1 1 163 163 ASN C C 163 171.357 171.357 173.368 -2.011 25776 14104 1 18 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.579 0.370 25776 14105 1 18 . 1 1 163 163 ASN CB C 163 47.040 47.040 42.227 4.813 25776 14106 1 18 . 1 1 163 163 ASN H H 163 7.735 7.735 8.488 -0.753 25776 14107 1 18 . 1 1 164 164 MET N N 164 120.121 120.121 123.150 -3.029 25776 14108 1 18 . 1 1 164 164 MET C C 164 172.837 172.837 173.277 -0.440 25776 14109 1 18 . 1 1 164 164 MET CA C 164 55.914 55.914 54.788 1.126 25776 14110 1 18 . 1 1 164 164 MET CB C 164 38.643 38.643 36.513 2.130 25776 14111 1 18 . 1 1 164 164 MET H H 164 7.092 7.092 8.814 -1.722 25776 14112 1 18 . 1 1 165 165 ALA N N 165 120.745 120.745 125.073 -4.328 25776 14113 1 18 . 1 1 165 165 ALA C C 165 174.047 174.047 174.337 -0.290 25776 14114 1 18 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.195 1.219 25776 14115 1 18 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.643 0.500 25776 14116 1 18 . 1 1 165 165 ALA H H 165 8.370 8.370 8.408 -0.038 25776 14117 1 18 . 1 1 166 166 VAL N N 166 118.385 118.385 119.108 -0.723 25776 14118 1 18 . 1 1 166 166 VAL C C 166 172.556 172.556 175.463 -2.907 25776 14119 1 18 . 1 1 166 166 VAL CA C 166 60.628 60.628 61.270 -0.643 25776 14120 1 18 . 1 1 166 166 VAL CB C 166 36.127 36.127 32.933 3.194 25776 14121 1 18 . 1 1 166 166 VAL H H 166 8.723 8.723 8.463 0.260 25776 14122 1 18 . 1 1 167 167 TRP N N 167 123.258 123.258 129.655 -6.397 25776 14123 1 18 . 1 1 167 167 TRP C C 167 174.016 174.016 174.969 -0.953 25776 14124 1 18 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.396 1.208 25776 14125 1 18 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.386 1.273 25776 14126 1 18 . 1 1 167 167 TRP H H 167 9.312 9.312 8.559 0.753 25776 14127 1 18 . 1 1 168 168 TYR N N 168 121.455 121.455 125.521 -4.066 25776 14128 1 18 . 1 1 168 168 TYR C C 168 175.110 175.110 173.518 1.592 25776 14129 1 18 . 1 1 168 168 TYR CA C 168 57.186 57.186 58.031 -0.845 25776 14130 1 18 . 1 1 168 168 TYR CB C 168 42.440 42.440 42.136 0.304 25776 14131 1 18 . 1 1 168 168 TYR H H 168 8.398 8.398 7.374 1.024 25776 14132 1 18 . 1 1 169 169 MET N N 169 124.800 124.800 123.361 1.439 25776 14133 1 18 . 1 1 169 169 MET C C 169 172.688 172.688 173.869 -1.181 25776 14134 1 18 . 1 1 169 169 MET CA C 169 55.640 55.640 54.937 0.703 25776 14135 1 18 . 1 1 169 169 MET CB C 169 34.143 34.143 35.733 -1.590 25776 14136 1 18 . 1 1 169 169 MET H H 169 8.131 8.131 8.011 0.120 25776 14137 1 18 . 1 1 170 170 ASP N N 170 122.780 122.780 125.729 -2.949 25776 14138 1 18 . 1 1 170 170 ASP C C 170 174.864 174.864 174.967 -0.103 25776 14139 1 18 . 1 1 170 170 ASP CA C 170 54.883 54.883 54.224 0.659 25776 14140 1 18 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.517 -0.839 25776 14141 1 18 . 1 1 170 170 ASP H H 170 8.191 8.191 8.486 -0.295 25776 14142 1 18 . 1 1 171 171 ILE N N 171 127.252 127.252 123.201 4.051 25776 14143 1 18 . 1 1 171 171 ILE C C 171 174.476 174.476 175.466 -0.990 25776 14144 1 18 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.775 0.168 25776 14145 1 18 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.339 2.182 25776 14146 1 18 . 1 1 171 171 ILE H H 171 7.805 7.805 8.194 -0.389 25776 14147 1 18 . 1 1 172 172 ASP N N 172 129.369 129.369 128.369 1.000 25776 14148 1 18 . 1 1 172 172 ASP C C 172 174.520 174.520 175.748 -1.228 25776 14149 1 18 . 1 1 172 172 ASP CA C 172 53.801 53.801 54.381 -0.580 25776 14150 1 18 . 1 1 172 172 ASP CB C 172 43.089 43.089 41.525 1.564 25776 14151 1 18 . 1 1 172 172 ASP H H 172 8.541 8.541 8.598 -0.057 25776 14152 1 18 . 1 1 173 173 THR N N 173 118.920 118.920 115.035 3.885 25776 14153 1 18 . 1 1 173 173 THR C C 173 172.170 172.170 174.478 -2.308 25776 14154 1 18 . 1 1 173 173 THR CA C 173 60.936 60.936 61.567 -0.631 25776 14155 1 18 . 1 1 173 173 THR CB C 173 70.002 70.002 69.987 0.015 25776 14156 1 18 . 1 1 173 173 THR H H 173 8.814 8.814 8.144 0.670 25776 14157 1 18 . 1 1 176 176 SER C C 176 174.672 174.672 174.939 -0.267 25776 14158 1 18 . 1 1 176 176 SER CA C 176 58.834 58.834 57.222 1.611 25776 14159 1 18 . 1 1 176 176 SER CB C 176 64.984 64.984 64.152 0.832 25776 14160 1 18 . 1 1 177 177 ILE N N 177 121.645 121.645 118.770 2.875 25776 14161 1 18 . 1 1 177 177 ILE C C 177 174.945 174.945 175.733 -0.788 25776 14162 1 18 . 1 1 177 177 ILE CA C 177 62.346 62.346 61.454 0.892 25776 14163 1 18 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.692 1.447 25776 14164 1 18 . 1 1 177 177 ILE H H 177 7.993 7.993 8.101 -0.108 25776 14165 1 18 . 1 1 178 178 ASN N N 178 127.223 127.223 119.828 7.395 25776 14166 1 18 . 1 1 178 178 ASN C C 178 179.120 179.120 175.127 3.993 25776 14167 1 18 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.298 2.365 25776 14168 1 18 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.689 3.230 25776 14169 1 18 . 1 1 178 178 ASN H H 178 7.882 7.882 8.380 -0.498 25776 14170 1 18 . 1 1 182 182 ALA N N 182 124.095 124.095 128.196 -4.101 25776 14171 1 18 . 1 1 182 182 ALA C C 182 177.680 177.680 176.207 1.473 25776 14172 1 18 . 1 1 182 182 ALA CA C 182 54.216 54.216 52.068 2.148 25776 14173 1 18 . 1 1 182 182 ALA CB C 182 19.769 19.769 18.850 0.919 25776 14174 1 18 . 1 1 182 182 ALA H H 182 8.100 8.100 8.495 -0.395 25776 14175 1 18 . 1 1 183 183 LEU N N 183 118.394 118.394 121.667 -3.273 25776 14176 1 18 . 1 1 183 183 LEU C C 183 177.352 177.352 176.557 0.795 25776 14177 1 18 . 1 1 183 183 LEU CA C 183 55.827 55.827 54.810 1.017 25776 14178 1 18 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.392 -0.209 25776 14179 1 18 . 1 1 183 183 LEU H H 183 7.854 7.854 7.964 -0.110 25776 14180 1 18 . 1 1 184 184 GLY N N 184 107.897 107.897 110.152 -2.255 25776 14181 1 18 . 1 1 184 184 GLY C C 184 174.288 174.288 173.999 0.289 25776 14182 1 18 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.950 1.726 25776 14183 1 18 . 1 1 184 184 GLY H H 184 7.883 7.883 8.201 -0.318 25776 14184 1 18 . 1 1 185 185 VAL N N 185 118.254 118.254 119.070 -0.816 25776 14185 1 18 . 1 1 185 185 VAL C C 185 175.475 175.475 174.503 0.972 25776 14186 1 18 . 1 1 185 185 VAL CA C 185 63.048 63.048 62.270 0.778 25776 14187 1 18 . 1 1 185 185 VAL CB C 185 33.471 33.471 30.054 3.417 25776 14188 1 18 . 1 1 185 185 VAL H H 185 7.676 7.676 7.984 -0.308 25776 14189 1 18 . 1 1 186 186 ASN N N 186 121.756 121.756 119.944 1.812 25776 14190 1 18 . 1 1 186 186 ASN C C 186 174.724 174.724 174.910 -0.186 25776 14191 1 18 . 1 1 186 186 ASN CA C 186 54.593 54.593 52.239 2.353 25776 14192 1 18 . 1 1 186 186 ASN CB C 186 39.898 39.898 41.227 -1.329 25776 14193 1 18 . 1 1 186 186 ASN H H 186 8.331 8.331 8.192 0.139 25776 14194 1 18 . 1 1 187 187 LYS N N 187 120.959 120.959 119.793 1.166 25776 14195 1 18 . 1 1 187 187 LYS C C 187 174.652 174.652 176.069 -1.417 25776 14196 1 18 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.283 0.915 25776 14197 1 18 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.264 0.779 25776 14198 1 18 . 1 1 187 187 LYS H H 187 8.031 8.031 8.378 -0.347 25776 14199 1 18 . 1 1 189 189 LYS C C 189 176.088 176.088 176.865 -0.777 25776 14200 1 18 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.600 0.842 25776 14201 1 18 . 1 1 190 190 VAL N N 190 121.122 121.122 119.972 1.150 25776 14202 1 18 . 1 1 190 190 VAL C C 190 175.545 175.545 175.306 0.239 25776 14203 1 18 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.466 0.655 25776 14204 1 18 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.570 1.378 25776 14205 1 18 . 1 1 190 190 VAL H H 190 8.067 8.067 7.924 0.143 25776 14206 1 18 . 1 1 191 191 ASP N N 191 124.022 124.022 117.572 6.450 25776 14207 1 18 . 1 1 191 191 ASP C C 191 175.710 175.710 175.723 -0.013 25776 14208 1 18 . 1 1 191 191 ASP CA C 191 55.269 55.269 55.054 0.215 25776 14209 1 18 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.390 0.588 25776 14210 1 18 . 1 1 191 191 ASP H H 191 8.282 8.282 7.887 0.395 25776 14211 1 18 . 1 1 192 192 VAL N N 192 118.928 118.928 120.448 -1.520 25776 14212 1 18 . 1 1 192 192 VAL C C 192 175.433 175.433 175.914 -0.481 25776 14213 1 18 . 1 1 192 192 VAL CA C 192 62.820 62.820 63.292 -0.472 25776 14214 1 18 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.968 1.137 25776 14215 1 18 . 1 1 192 192 VAL H H 192 7.877 7.877 8.189 -0.312 25776 14216 1 18 . 1 1 193 193 ASP N N 193 124.364 124.364 126.761 -2.397 25776 14217 1 18 . 1 1 193 193 ASP C C 193 176.118 176.118 176.312 -0.194 25776 14218 1 18 . 1 1 193 193 ASP CA C 193 55.211 55.211 55.623 -0.412 25776 14219 1 18 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.092 0.941 25776 14220 1 18 . 1 1 193 193 ASP H H 193 8.335 8.335 8.454 -0.118 25776 14221 1 18 . 1 1 198 198 VAL N N 198 126.400 126.400 121.588 4.812 25776 14222 1 18 . 1 1 198 198 VAL C C 198 174.600 174.600 174.723 -0.123 25776 14223 1 18 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.528 -1.088 25776 14224 1 18 . 1 1 198 198 VAL CB C 198 35.100 35.100 35.312 -0.212 25776 14225 1 18 . 1 1 198 198 VAL H H 198 8.474 8.474 8.533 -0.059 25776 14226 1 18 . 1 1 199 199 TYR N N 199 123.900 123.900 125.266 -1.366 25776 14227 1 18 . 1 1 199 199 TYR C C 199 173.600 173.600 174.650 -1.050 25776 14228 1 18 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.620 -2.110 25776 14229 1 18 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.331 0.299 25776 14230 1 18 . 1 1 199 199 TYR H H 199 8.748 8.748 8.631 0.117 25776 14231 1 18 . 1 1 200 200 MET N N 200 123.700 123.700 126.145 -2.445 25776 14232 1 18 . 1 1 200 200 MET CA C 200 49.420 49.420 54.278 -4.857 25776 14233 1 18 . 1 1 200 200 MET H H 200 9.057 9.057 8.401 0.656 25776 14234 1 18 . 1 1 201 201 ILE C C 201 174.016 174.016 174.055 -0.039 25776 14235 1 18 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.685 0.789 25776 14236 1 18 . 1 1 201 201 ILE CB C 201 42.435 42.435 41.367 1.068 25776 14237 1 18 . 1 1 202 202 GLY N N 202 113.215 113.215 114.105 -0.890 25776 14238 1 18 . 1 1 202 202 GLY C C 202 170.124 170.124 171.958 -1.834 25776 14239 1 18 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.736 2.824 25776 14240 1 18 . 1 1 202 202 GLY H H 202 8.646 8.646 8.814 -0.168 25776 14241 1 18 . 1 1 203 203 PHE N N 203 116.782 116.782 118.414 -1.632 25776 14242 1 18 . 1 1 203 203 PHE C C 203 174.063 174.063 174.658 -0.595 25776 14243 1 18 . 1 1 203 203 PHE CA C 203 56.451 56.451 57.227 -0.776 25776 14244 1 18 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.957 1.742 25776 14245 1 18 . 1 1 203 203 PHE H H 203 8.482 8.482 8.456 0.026 25776 14246 1 18 . 1 1 204 204 GLY N N 204 105.936 105.936 107.472 -1.536 25776 14247 1 18 . 1 1 204 204 GLY C C 204 171.097 171.097 172.138 -1.041 25776 14248 1 18 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.247 3.227 25776 14249 1 18 . 1 1 204 204 GLY H H 204 9.003 9.003 8.455 0.548 25776 14250 1 18 . 1 1 205 205 TYR N N 205 121.196 121.196 120.844 0.352 25776 14251 1 18 . 1 1 205 205 TYR C C 205 172.994 172.994 173.046 -0.052 25776 14252 1 18 . 1 1 205 205 TYR CA C 205 57.686 57.686 57.536 0.150 25776 14253 1 18 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.414 2.776 25776 14254 1 18 . 1 1 205 205 TYR H H 205 9.413 9.413 8.600 0.813 25776 14255 1 18 . 1 1 206 206 LYS N N 206 126.788 126.788 124.455 2.333 25776 14256 1 18 . 1 1 206 206 LYS C C 206 174.161 174.161 173.786 0.375 25776 14257 1 18 . 1 1 206 206 LYS CA C 206 55.430 55.430 54.323 1.107 25776 14258 1 18 . 1 1 206 206 LYS CB C 206 35.425 35.425 34.519 0.906 25776 14259 1 18 . 1 1 206 206 LYS H H 206 8.364 8.364 7.556 0.808 25776 14260 1 18 . 1 1 207 207 PHE N N 207 126.168 126.168 121.685 4.483 25776 14261 1 18 . 1 1 207 207 PHE C C 207 175.094 175.094 175.332 -0.238 25776 14262 1 18 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.653 1.037 25776 14263 1 18 . 1 1 207 207 PHE CB C 207 41.663 41.663 39.990 1.673 25776 14264 1 18 . 1 1 207 207 PHE H H 207 9.308 9.308 8.176 1.132 25776 14265 1 18 . 1 1 208 208 LEU N N 208 123.199 123.199 122.328 0.871 25776 14266 1 18 . 1 1 208 208 LEU C C 208 176.580 176.580 175.983 0.597 25776 14267 1 18 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.700 0.771 25776 14268 1 18 . 1 1 208 208 LEU CB C 208 44.713 44.713 41.560 3.153 25776 14269 1 18 . 1 1 208 208 LEU H H 208 8.376 8.376 7.546 0.830 25776 14270 1 18 . 1 1 209 209 GLU N N 209 121.960 121.960 122.759 -0.799 25776 14271 1 18 . 1 1 209 209 GLU C C 209 176.226 176.226 176.600 -0.374 25776 14272 1 18 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.598 2.134 25776 14273 1 18 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.112 1.341 25776 14274 1 18 . 1 1 209 209 GLU H H 209 8.500 8.500 8.952 -0.452 25776 14275 1 19 . 1 1 2 2 HIS C C 2 175.393 175.393 174.084 1.309 25776 14276 1 19 . 1 1 2 2 HIS CA C 2 53.804 53.804 56.418 -2.614 25776 14277 1 19 . 1 1 2 2 HIS CB C 2 30.780 30.780 31.066 -0.286 25776 14278 1 19 . 1 1 3 3 LYS N N 3 121.908 121.908 117.437 4.471 25776 14279 1 19 . 1 1 3 3 LYS C C 3 173.475 173.475 174.461 -0.986 25776 14280 1 19 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.959 -0.932 25776 14281 1 19 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.053 -0.853 25776 14282 1 19 . 1 1 3 3 LYS H H 3 8.608 8.608 7.910 0.698 25776 14283 1 19 . 1 1 4 4 ALA N N 4 120.771 120.771 122.738 -1.967 25776 14284 1 19 . 1 1 4 4 ALA C C 4 178.118 178.118 178.103 0.015 25776 14285 1 19 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.634 0.805 25776 14286 1 19 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.182 -0.133 25776 14287 1 19 . 1 1 4 4 ALA H H 4 8.581 8.581 8.179 0.402 25776 14288 1 19 . 1 1 5 5 GLY N N 5 112.807 112.807 113.832 -1.025 25776 14289 1 19 . 1 1 5 5 GLY C C 5 173.788 173.788 175.036 -1.248 25776 14290 1 19 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.981 -0.161 25776 14291 1 19 . 1 1 5 5 GLY H H 5 9.170 9.170 8.040 1.130 25776 14292 1 19 . 1 1 6 6 ASP N N 6 121.504 121.504 120.999 0.505 25776 14293 1 19 . 1 1 6 6 ASP C C 6 174.307 174.307 174.929 -0.622 25776 14294 1 19 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.576 0.242 25776 14295 1 19 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.606 -0.031 25776 14296 1 19 . 1 1 6 6 ASP H H 6 7.619 7.619 7.549 0.070 25776 14297 1 19 . 1 1 7 7 PHE N N 7 121.212 121.212 126.735 -5.523 25776 14298 1 19 . 1 1 7 7 PHE C C 7 174.030 174.030 173.821 0.209 25776 14299 1 19 . 1 1 7 7 PHE CA C 7 56.601 56.601 56.581 0.020 25776 14300 1 19 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.241 2.835 25776 14301 1 19 . 1 1 7 7 PHE H H 7 8.285 8.285 8.533 -0.248 25776 14302 1 19 . 1 1 8 8 ILE N N 8 128.185 128.185 127.685 0.500 25776 14303 1 19 . 1 1 8 8 ILE C C 8 173.961 173.961 174.113 -0.152 25776 14304 1 19 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.221 2.502 25776 14305 1 19 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.459 2.210 25776 14306 1 19 . 1 1 8 8 ILE H H 8 9.245 9.245 7.627 1.618 25776 14307 1 19 . 1 1 9 9 ILE N N 9 125.624 125.624 120.732 4.892 25776 14308 1 19 . 1 1 9 9 ILE C C 9 173.731 173.731 174.785 -1.054 25776 14309 1 19 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.476 -0.186 25776 14310 1 19 . 1 1 9 9 ILE CB C 9 42.091 42.091 38.373 3.718 25776 14311 1 19 . 1 1 9 9 ILE H H 9 8.628 8.628 8.416 0.212 25776 14312 1 19 . 1 1 10 10 ARG N N 10 125.025 125.025 126.451 -1.426 25776 14313 1 19 . 1 1 10 10 ARG C C 10 175.074 175.074 175.749 -0.675 25776 14314 1 19 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.223 0.271 25776 14315 1 19 . 1 1 10 10 ARG CB C 10 32.772 32.772 34.015 -1.243 25776 14316 1 19 . 1 1 10 10 ARG H H 10 9.225 9.225 9.085 0.140 25776 14317 1 19 . 1 1 11 11 GLY N N 11 106.141 106.141 107.435 -1.294 25776 14318 1 19 . 1 1 11 11 GLY C C 11 171.959 171.959 172.395 -0.436 25776 14319 1 19 . 1 1 11 11 GLY CA C 11 45.207 45.207 45.487 -0.280 25776 14320 1 19 . 1 1 11 11 GLY H H 11 8.885 8.885 8.668 0.217 25776 14321 1 19 . 1 1 12 12 GLY N N 12 107.818 107.818 108.319 -0.501 25776 14322 1 19 . 1 1 12 12 GLY C C 12 171.465 171.465 172.219 -0.754 25776 14323 1 19 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.227 3.086 25776 14324 1 19 . 1 1 12 12 GLY H H 12 8.433 8.433 7.761 0.672 25776 14325 1 19 . 1 1 13 13 PHE N N 13 120.233 120.233 119.453 0.780 25776 14326 1 19 . 1 1 13 13 PHE C C 13 174.056 174.056 175.976 -1.920 25776 14327 1 19 . 1 1 13 13 PHE CA C 13 57.151 57.151 58.923 -1.772 25776 14328 1 19 . 1 1 13 13 PHE CB C 13 41.625 41.625 39.572 2.053 25776 14329 1 19 . 1 1 13 13 PHE H H 13 8.606 8.606 8.735 -0.129 25776 14330 1 19 . 1 1 18 18 PRO C C 18 176.552 176.552 176.660 -0.108 25776 14331 1 19 . 1 1 18 18 PRO CA C 18 64.091 64.091 62.625 1.466 25776 14332 1 19 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.370 1.278 25776 14333 1 19 . 1 1 19 19 ASP N N 19 121.094 121.094 119.405 1.689 25776 14334 1 19 . 1 1 19 19 ASP C C 19 176.047 176.047 175.747 0.300 25776 14335 1 19 . 1 1 19 19 ASP CA C 19 55.274 55.274 53.818 1.456 25776 14336 1 19 . 1 1 19 19 ASP CB C 19 42.043 42.043 39.625 2.418 25776 14337 1 19 . 1 1 19 19 ASP H H 19 8.372 8.372 8.546 -0.174 25776 14338 1 19 . 1 1 20 20 ASP N N 20 123.179 123.179 119.005 4.174 25776 14339 1 19 . 1 1 20 20 ASP C C 20 176.790 176.790 176.560 0.230 25776 14340 1 19 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.141 -0.046 25776 14341 1 19 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.024 0.810 25776 14342 1 19 . 1 1 20 20 ASP H H 20 8.357 8.357 8.287 0.070 25776 14343 1 19 . 1 1 21 21 SER N N 21 117.319 117.319 115.281 2.038 25776 14344 1 19 . 1 1 21 21 SER C C 21 175.218 175.218 173.723 1.495 25776 14345 1 19 . 1 1 21 21 SER CA C 21 60.134 60.134 57.650 2.484 25776 14346 1 19 . 1 1 21 21 SER CB C 21 64.701 64.701 65.738 -1.037 25776 14347 1 19 . 1 1 21 21 SER H H 21 8.398 8.398 8.119 0.279 25776 14348 1 19 . 1 1 22 22 SER N N 22 117.994 117.994 115.075 2.919 25776 14349 1 19 . 1 1 22 22 SER C C 22 174.877 174.877 173.923 0.954 25776 14350 1 19 . 1 1 22 22 SER CA C 22 59.839 59.839 59.118 0.721 25776 14351 1 19 . 1 1 22 22 SER CB C 22 64.669 64.669 63.861 0.808 25776 14352 1 19 . 1 1 22 22 SER H H 22 8.314 8.314 8.247 0.067 25776 14353 1 19 . 1 1 23 23 SER N N 23 117.809 117.809 117.699 0.110 25776 14354 1 19 . 1 1 23 23 SER C C 23 174.298 174.298 173.154 1.144 25776 14355 1 19 . 1 1 23 23 SER CA C 23 59.629 59.629 58.365 1.264 25776 14356 1 19 . 1 1 23 23 SER CB C 23 64.802 64.802 63.544 1.258 25776 14357 1 19 . 1 1 23 23 SER H H 23 8.143 8.143 8.151 -0.008 25776 14358 1 19 . 1 1 24 24 ASP N N 24 122.829 122.829 120.538 2.291 25776 14359 1 19 . 1 1 24 24 ASP C C 24 176.250 176.250 175.601 0.649 25776 14360 1 19 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.658 0.834 25776 14361 1 19 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.227 0.614 25776 14362 1 19 . 1 1 24 24 ASP H H 24 8.234 8.234 7.843 0.391 25776 14363 1 19 . 1 1 25 25 ILE N N 25 120.717 120.717 119.721 0.996 25776 14364 1 19 . 1 1 25 25 ILE C C 25 176.204 176.204 175.429 0.775 25776 14365 1 19 . 1 1 25 25 ILE CA C 25 62.556 62.556 62.335 0.221 25776 14366 1 19 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.492 1.176 25776 14367 1 19 . 1 1 25 25 ILE H H 25 7.884 7.884 8.417 -0.533 25776 14368 1 19 . 1 1 26 26 LYS N N 26 124.527 124.527 121.969 2.558 25776 14369 1 19 . 1 1 26 26 LYS C C 26 176.616 176.616 176.066 0.550 25776 14370 1 19 . 1 1 26 26 LYS CA C 26 57.192 57.192 55.817 1.375 25776 14371 1 19 . 1 1 26 26 LYS CB C 26 33.809 33.809 33.253 0.556 25776 14372 1 19 . 1 1 26 26 LYS H H 26 8.164 8.164 8.102 0.062 25776 14373 1 19 . 1 1 27 27 LEU N N 27 123.292 123.292 121.451 1.841 25776 14374 1 19 . 1 1 27 27 LEU C C 27 177.077 177.077 176.650 0.427 25776 14375 1 19 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.238 1.935 25776 14376 1 19 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.930 0.387 25776 14377 1 19 . 1 1 27 27 LEU H H 27 8.100 8.100 8.096 0.004 25776 14378 1 19 . 1 1 28 28 ASP N N 28 121.059 121.059 121.645 -0.586 25776 14379 1 19 . 1 1 28 28 ASP C C 28 176.929 176.929 176.240 0.689 25776 14380 1 19 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.868 1.480 25776 14381 1 19 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.121 0.954 25776 14382 1 19 . 1 1 28 28 ASP H H 28 8.209 8.209 8.366 -0.157 25776 14383 1 19 . 1 1 29 29 GLY N N 29 110.032 110.032 109.673 0.359 25776 14384 1 19 . 1 1 29 29 GLY C C 29 174.364 174.364 173.909 0.455 25776 14385 1 19 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.510 2.368 25776 14386 1 19 . 1 1 29 29 GLY H H 29 8.274 8.274 8.388 -0.114 25776 14387 1 19 . 1 1 30 30 ALA N N 30 124.102 124.102 122.250 1.852 25776 14388 1 19 . 1 1 30 30 ALA C C 30 178.005 178.005 178.280 -0.275 25776 14389 1 19 . 1 1 30 30 ALA CA C 30 53.824 53.824 53.265 0.559 25776 14390 1 19 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.593 0.534 25776 14391 1 19 . 1 1 30 30 ALA H H 30 8.085 8.085 8.102 -0.017 25776 14392 1 19 . 1 1 31 31 LYS N N 31 119.810 119.810 119.996 -0.186 25776 14393 1 19 . 1 1 31 31 LYS C C 31 176.650 176.650 175.561 1.089 25776 14394 1 19 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.017 1.455 25776 14395 1 19 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.294 1.654 25776 14396 1 19 . 1 1 31 31 LYS H H 31 8.075 8.075 8.218 -0.143 25776 14397 1 19 . 1 1 32 32 GLN N N 32 121.045 121.045 119.528 1.517 25776 14398 1 19 . 1 1 32 32 GLN C C 32 175.862 175.862 174.782 1.080 25776 14399 1 19 . 1 1 32 32 GLN CA C 32 56.939 56.939 54.947 1.992 25776 14400 1 19 . 1 1 32 32 GLN CB C 32 30.194 30.194 31.049 -0.855 25776 14401 1 19 . 1 1 32 32 GLN H H 32 8.182 8.182 7.689 0.493 25776 14402 1 19 . 1 1 33 33 ARG N N 33 122.683 122.683 121.705 0.978 25776 14403 1 19 . 1 1 33 33 ARG C C 33 176.492 176.492 175.621 0.871 25776 14404 1 19 . 1 1 33 33 ARG CA C 33 57.082 57.082 55.383 1.699 25776 14405 1 19 . 1 1 33 33 ARG CB C 33 31.952 31.952 31.036 0.916 25776 14406 1 19 . 1 1 33 33 ARG H H 33 8.288 8.288 8.339 -0.051 25776 14407 1 19 . 1 1 36 36 LYS C C 36 176.028 176.028 175.369 0.659 25776 14408 1 19 . 1 1 36 36 LYS CA C 36 57.223 57.223 55.315 1.908 25776 14409 1 19 . 1 1 36 36 LYS CB C 36 34.262 34.262 34.471 -0.209 25776 14410 1 19 . 1 1 37 37 ALA N N 37 125.793 125.793 123.440 2.353 25776 14411 1 19 . 1 1 37 37 ALA C C 37 177.567 177.567 176.376 1.191 25776 14412 1 19 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.545 1.022 25776 14413 1 19 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.239 1.169 25776 14414 1 19 . 1 1 37 37 ALA H H 37 8.329 8.329 8.681 -0.352 25776 14415 1 19 . 1 1 38 38 THR N N 38 113.398 113.398 114.209 -0.811 25776 14416 1 19 . 1 1 38 38 THR C C 38 174.556 174.556 173.463 1.093 25776 14417 1 19 . 1 1 38 38 THR CA C 38 62.551 62.551 61.966 0.585 25776 14418 1 19 . 1 1 38 38 THR CB C 38 71.054 71.054 69.282 1.772 25776 14419 1 19 . 1 1 38 38 THR H H 38 8.007 8.007 7.495 0.512 25776 14420 1 19 . 1 1 39 39 VAL N N 39 120.865 120.865 124.391 -3.526 25776 14421 1 19 . 1 1 39 39 VAL C C 39 175.523 175.523 175.756 -0.233 25776 14422 1 19 . 1 1 39 39 VAL CA C 39 63.100 63.100 61.258 1.842 25776 14423 1 19 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.504 1.540 25776 14424 1 19 . 1 1 39 39 VAL H H 39 8.043 8.043 8.325 -0.282 25776 14425 1 19 . 1 1 40 40 ASP N N 40 124.053 124.053 120.803 3.250 25776 14426 1 19 . 1 1 40 40 ASP C C 40 176.132 176.132 175.837 0.295 25776 14427 1 19 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.484 0.797 25776 14428 1 19 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.639 0.580 25776 14429 1 19 . 1 1 40 40 ASP H H 40 8.333 8.333 8.189 0.144 25776 14430 1 19 . 1 1 41 41 SER N N 41 115.655 115.655 118.741 -3.086 25776 14431 1 19 . 1 1 41 41 SER C C 41 174.147 174.147 173.734 0.413 25776 14432 1 19 . 1 1 41 41 SER CA C 41 59.367 59.367 58.339 1.028 25776 14433 1 19 . 1 1 41 41 SER CB C 41 65.027 65.027 63.120 1.907 25776 14434 1 19 . 1 1 41 41 SER H H 41 8.142 8.142 8.642 -0.500 25776 14435 1 19 . 1 1 42 42 ASP N N 42 123.005 123.005 123.479 -0.474 25776 14436 1 19 . 1 1 42 42 ASP C C 42 176.578 176.578 176.294 0.284 25776 14437 1 19 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.126 1.313 25776 14438 1 19 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.257 1.147 25776 14439 1 19 . 1 1 42 42 ASP H H 42 8.433 8.433 8.156 0.277 25776 14440 1 19 . 1 1 43 43 THR C C 43 176.244 176.244 174.786 1.458 25776 14441 1 19 . 1 1 43 43 THR CA C 43 62.772 62.772 62.257 0.515 25776 14442 1 19 . 1 1 43 43 THR CB C 43 71.018 71.018 69.548 1.470 25776 14443 1 19 . 1 1 44 44 GLN N N 44 123.824 123.824 120.280 3.544 25776 14444 1 19 . 1 1 44 44 GLN C C 44 177.061 177.061 175.558 1.503 25776 14445 1 19 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.957 1.322 25776 14446 1 19 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.453 4.209 25776 14447 1 19 . 1 1 44 44 GLN H H 44 8.270 8.270 7.805 0.465 25776 14448 1 19 . 1 1 45 45 LEU N N 45 122.159 122.159 118.417 3.742 25776 14449 1 19 . 1 1 45 45 LEU C C 45 176.419 176.419 176.512 -0.093 25776 14450 1 19 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.859 1.259 25776 14451 1 19 . 1 1 45 45 LEU CB C 45 42.621 42.621 42.062 0.559 25776 14452 1 19 . 1 1 45 45 LEU H H 45 7.940 7.940 7.900 0.040 25776 14453 1 19 . 1 1 46 46 GLY N N 46 107.861 107.861 105.474 2.387 25776 14454 1 19 . 1 1 46 46 GLY C C 46 171.538 171.538 171.962 -0.424 25776 14455 1 19 . 1 1 46 46 GLY CA C 46 44.775 44.775 43.831 0.944 25776 14456 1 19 . 1 1 46 46 GLY H H 46 8.566 8.566 7.735 0.831 25776 14457 1 19 . 1 1 47 47 LEU N N 47 122.959 122.959 121.325 1.634 25776 14458 1 19 . 1 1 47 47 LEU C C 47 175.422 175.422 175.098 0.324 25776 14459 1 19 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.547 0.784 25776 14460 1 19 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.243 2.100 25776 14461 1 19 . 1 1 47 47 LEU H H 47 8.457 8.457 7.818 0.639 25776 14462 1 19 . 1 1 48 48 THR N N 48 112.144 112.144 115.915 -3.771 25776 14463 1 19 . 1 1 48 48 THR C C 48 172.347 172.347 173.265 -0.918 25776 14464 1 19 . 1 1 48 48 THR CA C 48 59.573 59.573 61.257 -1.684 25776 14465 1 19 . 1 1 48 48 THR CB C 48 72.843 72.843 71.532 1.311 25776 14466 1 19 . 1 1 48 48 THR H H 48 8.814 8.814 8.787 0.027 25776 14467 1 19 . 1 1 49 49 PHE N N 49 118.787 118.787 122.955 -4.168 25776 14468 1 19 . 1 1 49 49 PHE C C 49 174.623 174.623 175.810 -1.187 25776 14469 1 19 . 1 1 49 49 PHE CA C 49 55.737 55.737 56.911 -1.174 25776 14470 1 19 . 1 1 49 49 PHE CB C 49 42.986 42.986 40.632 2.354 25776 14471 1 19 . 1 1 49 49 PHE H H 49 8.455 8.455 8.411 0.044 25776 14472 1 19 . 1 1 50 50 THR N N 50 121.279 121.279 113.980 7.299 25776 14473 1 19 . 1 1 50 50 THR C C 50 173.272 173.272 173.376 -0.104 25776 14474 1 19 . 1 1 50 50 THR CA C 50 63.315 63.315 61.274 2.041 25776 14475 1 19 . 1 1 50 50 THR CB C 50 74.327 74.327 71.276 3.051 25776 14476 1 19 . 1 1 50 50 THR H H 50 9.372 9.372 8.077 1.295 25776 14477 1 19 . 1 1 51 51 TYR N N 51 126.005 126.005 125.086 0.919 25776 14478 1 19 . 1 1 51 51 TYR C C 51 174.837 174.837 175.408 -0.571 25776 14479 1 19 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.656 0.204 25776 14480 1 19 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.762 2.685 25776 14481 1 19 . 1 1 51 51 TYR H H 51 9.157 9.157 8.681 0.476 25776 14482 1 19 . 1 1 52 52 MET N N 52 127.601 127.601 120.166 7.435 25776 14483 1 19 . 1 1 52 52 MET C C 52 174.466 174.466 174.377 0.089 25776 14484 1 19 . 1 1 52 52 MET CA C 52 53.171 53.171 55.116 -1.945 25776 14485 1 19 . 1 1 52 52 MET CB C 52 29.467 29.467 34.343 -4.876 25776 14486 1 19 . 1 1 52 52 MET H H 52 7.998 7.998 8.201 -0.203 25776 14487 1 19 . 1 1 53 53 PHE N N 53 123.918 123.918 122.283 1.635 25776 14488 1 19 . 1 1 53 53 PHE C C 53 173.685 173.685 175.205 -1.520 25776 14489 1 19 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.083 1.532 25776 14490 1 19 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.105 -2.994 25776 14491 1 19 . 1 1 53 53 PHE H H 53 7.762 7.762 9.240 -1.478 25776 14492 1 19 . 1 1 54 54 ALA N N 54 125.892 125.892 130.798 -4.906 25776 14493 1 19 . 1 1 54 54 ALA C C 54 174.976 174.976 177.743 -2.767 25776 14494 1 19 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.719 -2.276 25776 14495 1 19 . 1 1 54 54 ALA CB C 54 23.534 23.534 17.683 5.851 25776 14496 1 19 . 1 1 54 54 ALA H H 54 8.396 8.396 8.491 -0.095 25776 14497 1 19 . 1 1 55 55 ASP N N 55 118.951 118.951 122.331 -3.380 25776 14498 1 19 . 1 1 55 55 ASP C C 55 174.777 174.777 175.024 -0.247 25776 14499 1 19 . 1 1 55 55 ASP CA C 55 59.139 59.139 55.653 3.486 25776 14500 1 19 . 1 1 55 55 ASP CB C 55 40.948 40.948 39.939 1.009 25776 14501 1 19 . 1 1 55 55 ASP H H 55 8.632 8.632 8.792 -0.160 25776 14502 1 19 . 1 1 56 56 LYS N N 56 106.363 106.363 115.739 -9.376 25776 14503 1 19 . 1 1 56 56 LYS C C 56 174.930 174.930 176.138 -1.208 25776 14504 1 19 . 1 1 56 56 LYS CA C 56 55.870 55.870 57.290 -1.420 25776 14505 1 19 . 1 1 56 56 LYS CB C 56 35.437 35.437 36.059 -0.622 25776 14506 1 19 . 1 1 56 56 LYS H H 56 7.300 7.300 8.637 -1.337 25776 14507 1 19 . 1 1 57 57 TRP N N 57 115.784 115.784 117.602 -1.818 25776 14508 1 19 . 1 1 57 57 TRP C C 57 173.960 173.960 173.782 0.178 25776 14509 1 19 . 1 1 57 57 TRP CA C 57 55.957 55.957 56.809 -0.851 25776 14510 1 19 . 1 1 57 57 TRP CB C 57 35.176 35.176 30.155 5.021 25776 14511 1 19 . 1 1 57 57 TRP H H 57 6.612 6.612 8.159 -1.547 25776 14512 1 19 . 1 1 58 58 GLY N N 58 107.657 107.657 105.517 2.140 25776 14513 1 19 . 1 1 58 58 GLY C C 58 172.720 172.720 171.533 1.187 25776 14514 1 19 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.333 0.451 25776 14515 1 19 . 1 1 58 58 GLY H H 58 9.271 9.271 9.298 -0.027 25776 14516 1 19 . 1 1 59 59 VAL N N 59 118.434 118.434 121.752 -3.318 25776 14517 1 19 . 1 1 59 59 VAL C C 59 172.973 172.973 174.939 -1.966 25776 14518 1 19 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.003 0.635 25776 14519 1 19 . 1 1 59 59 VAL CB C 59 36.036 36.036 34.426 1.610 25776 14520 1 19 . 1 1 59 59 VAL H H 59 9.080 9.080 8.186 0.894 25776 14521 1 19 . 1 1 60 60 GLU N N 60 127.915 127.915 122.059 5.856 25776 14522 1 19 . 1 1 60 60 GLU C C 60 174.464 174.464 174.635 -0.171 25776 14523 1 19 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.520 -0.769 25776 14524 1 19 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.638 2.404 25776 14525 1 19 . 1 1 60 60 GLU H H 60 9.431 9.431 9.358 0.073 25776 14526 1 19 . 1 1 61 61 LEU N N 61 127.764 127.764 125.258 2.506 25776 14527 1 19 . 1 1 61 61 LEU C C 61 174.746 174.746 175.432 -0.686 25776 14528 1 19 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.342 -0.351 25776 14529 1 19 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.696 1.185 25776 14530 1 19 . 1 1 61 61 LEU H H 61 8.730 8.730 8.293 0.437 25776 14531 1 19 . 1 1 62 62 VAL N N 62 126.465 126.465 123.238 3.227 25776 14532 1 19 . 1 1 62 62 VAL C C 62 174.453 174.453 174.994 -0.541 25776 14533 1 19 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.306 0.979 25776 14534 1 19 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.810 2.276 25776 14535 1 19 . 1 1 62 62 VAL H H 62 9.068 9.068 8.530 0.538 25776 14536 1 19 . 1 1 63 63 ALA N N 63 130.444 130.444 127.560 2.884 25776 14537 1 19 . 1 1 63 63 ALA C C 63 174.030 174.030 175.570 -1.540 25776 14538 1 19 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.741 -0.491 25776 14539 1 19 . 1 1 63 63 ALA CB C 63 23.503 23.503 21.949 1.554 25776 14540 1 19 . 1 1 63 63 ALA H H 63 9.124 9.124 8.417 0.707 25776 14541 1 19 . 1 1 64 64 ALA N N 64 121.285 121.285 125.500 -4.215 25776 14542 1 19 . 1 1 64 64 ALA C C 64 176.843 176.843 177.222 -0.379 25776 14543 1 19 . 1 1 64 64 ALA CA C 64 52.170 52.170 52.023 0.147 25776 14544 1 19 . 1 1 64 64 ALA CB C 64 23.172 23.172 19.716 3.456 25776 14545 1 19 . 1 1 64 64 ALA H H 64 7.995 7.995 8.687 -0.692 25776 14546 1 19 . 1 1 65 65 THR N N 65 109.734 109.734 115.127 -5.393 25776 14547 1 19 . 1 1 65 65 THR C C 65 176.739 176.739 173.123 3.616 25776 14548 1 19 . 1 1 65 65 THR CA C 65 61.660 61.660 60.038 1.622 25776 14549 1 19 . 1 1 65 65 THR CB C 65 68.341 68.341 69.956 -1.615 25776 14550 1 19 . 1 1 65 65 THR H H 65 8.108 8.108 8.325 -0.217 25776 14551 1 19 . 1 1 67 67 PHE N N 67 123.676 123.676 115.163 8.513 25776 14552 1 19 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.916 -1.067 25776 14553 1 19 . 1 1 67 67 PHE H H 67 8.382 8.382 8.141 0.241 25776 14554 1 19 . 1 1 74 74 LYS C C 74 177.704 177.704 175.652 2.052 25776 14555 1 19 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.763 -0.735 25776 14556 1 19 . 1 1 74 74 LYS CB C 74 34.062 34.062 30.912 3.150 25776 14557 1 19 . 1 1 75 75 GLY N N 75 108.841 108.841 107.834 1.007 25776 14558 1 19 . 1 1 75 75 GLY C C 75 174.405 174.405 173.598 0.807 25776 14559 1 19 . 1 1 75 75 GLY CA C 75 46.712 46.712 45.943 0.769 25776 14560 1 19 . 1 1 75 75 GLY H H 75 8.069 8.069 8.116 -0.047 25776 14561 1 19 . 1 1 76 76 LEU N N 76 120.093 120.093 124.093 -4.000 25776 14562 1 19 . 1 1 76 76 LEU C C 76 176.997 176.997 175.761 1.236 25776 14563 1 19 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.635 1.545 25776 14564 1 19 . 1 1 76 76 LEU CB C 76 45.997 45.997 43.084 2.913 25776 14565 1 19 . 1 1 76 76 LEU H H 76 7.623 7.623 8.115 -0.492 25776 14566 1 19 . 1 1 79 79 GLY C C 79 175.675 175.675 172.947 2.728 25776 14567 1 19 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.799 1.300 25776 14568 1 19 . 1 1 80 80 LEU N N 80 130.062 130.062 121.189 8.873 25776 14569 1 19 . 1 1 80 80 LEU C C 80 176.062 176.062 175.321 0.741 25776 14570 1 19 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.483 -0.079 25776 14571 1 19 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.370 -0.364 25776 14572 1 19 . 1 1 80 80 LEU H H 80 9.441 9.441 7.857 1.584 25776 14573 1 19 . 1 1 81 81 ASP N N 81 124.816 124.816 120.999 3.817 25776 14574 1 19 . 1 1 81 81 ASP C C 81 178.992 178.992 175.845 3.147 25776 14575 1 19 . 1 1 81 81 ASP CA C 81 55.769 55.769 53.597 2.172 25776 14576 1 19 . 1 1 81 81 ASP CB C 81 41.947 41.947 40.667 1.280 25776 14577 1 19 . 1 1 81 81 ASP H H 81 7.854 7.854 8.180 -0.326 25776 14578 1 19 . 1 1 91 91 PRO C C 91 175.297 175.297 175.741 -0.444 25776 14579 1 19 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.509 -1.676 25776 14580 1 19 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.076 1.455 25776 14581 1 19 . 1 1 92 92 ALA N N 92 123.521 123.521 126.938 -3.417 25776 14582 1 19 . 1 1 92 92 ALA C C 92 175.643 175.643 175.984 -0.341 25776 14583 1 19 . 1 1 92 92 ALA CA C 92 52.675 52.675 50.823 1.852 25776 14584 1 19 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.731 -0.006 25776 14585 1 19 . 1 1 92 92 ALA H H 92 8.829 8.829 8.136 0.693 25776 14586 1 19 . 1 1 93 93 THR N N 93 117.599 117.599 118.992 -1.393 25776 14587 1 19 . 1 1 93 93 THR C C 93 171.440 171.440 172.968 -1.528 25776 14588 1 19 . 1 1 93 93 THR CA C 93 62.066 62.066 62.157 -0.091 25776 14589 1 19 . 1 1 93 93 THR CB C 93 72.352 72.352 70.874 1.478 25776 14590 1 19 . 1 1 93 93 THR H H 93 8.237 8.237 8.204 0.033 25776 14591 1 19 . 1 1 94 94 LEU N N 94 129.530 129.530 129.484 0.046 25776 14592 1 19 . 1 1 94 94 LEU C C 94 174.995 174.995 173.931 1.064 25776 14593 1 19 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.332 -0.138 25776 14594 1 19 . 1 1 94 94 LEU CB C 94 47.165 47.165 45.280 1.885 25776 14595 1 19 . 1 1 94 94 LEU H H 94 8.732 8.732 8.391 0.341 25776 14596 1 19 . 1 1 95 95 LEU N N 95 124.181 124.181 125.841 -1.660 25776 14597 1 19 . 1 1 95 95 LEU C C 95 175.270 175.270 174.679 0.591 25776 14598 1 19 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.246 1.287 25776 14599 1 19 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.692 -0.020 25776 14600 1 19 . 1 1 95 95 LEU H H 95 9.485 9.485 9.357 0.128 25776 14601 1 19 . 1 1 96 96 LEU N N 96 123.444 123.444 121.751 1.693 25776 14602 1 19 . 1 1 96 96 LEU C C 96 174.997 174.997 175.878 -0.881 25776 14603 1 19 . 1 1 96 96 LEU CA C 96 55.313 55.313 54.134 1.179 25776 14604 1 19 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.429 1.719 25776 14605 1 19 . 1 1 96 96 LEU H H 96 8.836 8.836 9.290 -0.454 25776 14606 1 19 . 1 1 97 97 GLN N N 97 121.545 121.545 122.777 -1.232 25776 14607 1 19 . 1 1 97 97 GLN C C 97 174.324 174.324 174.347 -0.023 25776 14608 1 19 . 1 1 97 97 GLN CA C 97 55.388 55.388 53.855 1.533 25776 14609 1 19 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.577 5.947 25776 14610 1 19 . 1 1 97 97 GLN H H 97 9.566 9.566 9.310 0.256 25776 14611 1 19 . 1 1 98 98 TYR N N 98 122.246 122.246 116.836 5.410 25776 14612 1 19 . 1 1 98 98 TYR C C 98 173.409 173.409 174.143 -0.734 25776 14613 1 19 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.895 -0.240 25776 14614 1 19 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.741 1.467 25776 14615 1 19 . 1 1 98 98 TYR H H 98 9.053 9.053 8.751 0.302 25776 14616 1 19 . 1 1 99 99 TYR N N 99 126.872 126.872 119.731 7.141 25776 14617 1 19 . 1 1 99 99 TYR C C 99 175.310 175.310 173.280 2.030 25776 14618 1 19 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.008 0.748 25776 14619 1 19 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.648 1.987 25776 14620 1 19 . 1 1 99 99 TYR H H 99 8.344 8.344 8.383 -0.039 25776 14621 1 19 . 1 1 100 100 PRO C C 100 178.304 178.304 177.016 1.288 25776 14622 1 19 . 1 1 100 100 PRO CA C 100 65.410 65.410 63.725 1.685 25776 14623 1 19 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.488 0.619 25776 14624 1 19 . 1 1 101 101 MET N N 101 114.703 114.703 118.844 -4.141 25776 14625 1 19 . 1 1 101 101 MET C C 101 178.218 178.218 176.791 1.427 25776 14626 1 19 . 1 1 101 101 MET CA C 101 54.147 54.147 56.178 -2.031 25776 14627 1 19 . 1 1 101 101 MET CB C 101 30.956 30.956 32.502 -1.546 25776 14628 1 19 . 1 1 101 101 MET H H 101 9.432 9.432 8.065 1.367 25776 14629 1 19 . 1 1 102 102 GLY N N 102 117.671 117.671 105.418 12.253 25776 14630 1 19 . 1 1 102 102 GLY C C 102 175.611 175.611 173.924 1.687 25776 14631 1 19 . 1 1 102 102 GLY CA C 102 47.452 47.452 44.873 2.579 25776 14632 1 19 . 1 1 102 102 GLY H H 102 8.671 8.671 7.829 0.842 25776 14633 1 19 . 1 1 103 103 GLY N N 103 111.298 111.298 108.393 2.905 25776 14634 1 19 . 1 1 103 103 GLY C C 103 174.054 174.054 174.431 -0.377 25776 14635 1 19 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.734 2.086 25776 14636 1 19 . 1 1 103 103 GLY H H 103 9.436 9.436 8.707 0.729 25776 14637 1 19 . 1 1 104 104 THR N N 104 109.330 109.330 114.271 -4.941 25776 14638 1 19 . 1 1 104 104 THR C C 104 174.248 174.248 174.957 -0.709 25776 14639 1 19 . 1 1 104 104 THR CA C 104 61.454 61.454 60.802 0.652 25776 14640 1 19 . 1 1 104 104 THR CB C 104 72.711 72.711 69.810 2.901 25776 14641 1 19 . 1 1 104 104 THR H H 104 7.321 7.321 7.713 -0.392 25776 14642 1 19 . 1 1 105 105 ASN C C 105 175.032 175.032 174.077 0.955 25776 14643 1 19 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.199 0.214 25776 14644 1 19 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.434 0.409 25776 14645 1 19 . 1 1 106 106 SER N N 106 113.116 113.116 114.932 -1.816 25776 14646 1 19 . 1 1 106 106 SER C C 106 175.961 175.961 175.162 0.799 25776 14647 1 19 . 1 1 106 106 SER CA C 106 59.289 59.289 57.802 1.487 25776 14648 1 19 . 1 1 106 106 SER CB C 106 65.208 65.208 63.515 1.693 25776 14649 1 19 . 1 1 106 106 SER H H 106 7.487 7.487 7.556 -0.069 25776 14650 1 19 . 1 1 107 107 ALA N N 107 132.317 132.317 129.639 2.678 25776 14651 1 19 . 1 1 107 107 ALA C C 107 176.554 176.554 176.774 -0.220 25776 14652 1 19 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.400 1.599 25776 14653 1 19 . 1 1 107 107 ALA CB C 107 19.530 19.530 18.905 0.625 25776 14654 1 19 . 1 1 107 107 ALA H H 107 8.891 8.891 8.503 0.388 25776 14655 1 19 . 1 1 108 108 PHE N N 108 116.265 116.265 113.579 2.686 25776 14656 1 19 . 1 1 108 108 PHE C C 108 174.254 174.254 175.208 -0.954 25776 14657 1 19 . 1 1 108 108 PHE CA C 108 56.664 56.664 55.670 0.994 25776 14658 1 19 . 1 1 108 108 PHE CB C 108 41.235 41.235 40.837 0.399 25776 14659 1 19 . 1 1 108 108 PHE H H 108 7.592 7.592 7.078 0.514 25776 14660 1 19 . 1 1 109 109 GLN N N 109 128.401 128.401 121.856 6.545 25776 14661 1 19 . 1 1 109 109 GLN C C 109 172.298 172.298 174.248 -1.950 25776 14662 1 19 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.184 -0.246 25776 14663 1 19 . 1 1 109 109 GLN CB C 109 29.980 29.980 29.535 0.445 25776 14664 1 19 . 1 1 109 109 GLN H H 109 9.095 9.095 8.790 0.305 25776 14665 1 19 . 1 1 110 110 PRO C C 110 175.005 175.005 176.060 -1.055 25776 14666 1 19 . 1 1 110 110 PRO CA C 110 62.224 62.224 63.221 -0.997 25776 14667 1 19 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.582 1.547 25776 14668 1 19 . 1 1 111 111 TYR N N 111 115.731 115.731 119.012 -3.281 25776 14669 1 19 . 1 1 111 111 TYR C C 111 173.783 173.783 174.172 -0.389 25776 14670 1 19 . 1 1 111 111 TYR CA C 111 57.072 57.072 57.789 -0.717 25776 14671 1 19 . 1 1 111 111 TYR CB C 111 39.435 39.435 43.305 -3.870 25776 14672 1 19 . 1 1 111 111 TYR H H 111 8.510 8.510 8.036 0.474 25776 14673 1 19 . 1 1 112 112 GLY N N 112 103.737 103.737 108.556 -4.819 25776 14674 1 19 . 1 1 112 112 GLY C C 112 172.014 172.014 171.776 0.238 25776 14675 1 19 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.156 0.488 25776 14676 1 19 . 1 1 112 112 GLY H H 112 8.149 8.149 8.270 -0.121 25776 14677 1 19 . 1 1 113 113 GLY N N 113 108.372 108.372 109.512 -1.140 25776 14678 1 19 . 1 1 113 113 GLY C C 113 171.486 171.486 172.072 -0.586 25776 14679 1 19 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.616 1.224 25776 14680 1 19 . 1 1 113 113 GLY H H 113 9.028 9.028 8.353 0.675 25776 14681 1 19 . 1 1 114 114 LEU N N 114 120.469 120.469 114.719 5.750 25776 14682 1 19 . 1 1 114 114 LEU C C 114 175.878 175.878 175.082 0.796 25776 14683 1 19 . 1 1 114 114 LEU CA C 114 54.611 54.611 52.953 1.658 25776 14684 1 19 . 1 1 114 114 LEU CB C 114 48.977 48.977 44.791 4.186 25776 14685 1 19 . 1 1 114 114 LEU H H 114 8.741 8.741 7.902 0.839 25776 14686 1 19 . 1 1 115 115 GLY N N 115 111.145 111.145 105.423 5.722 25776 14687 1 19 . 1 1 115 115 GLY C C 115 171.336 171.336 172.211 -0.875 25776 14688 1 19 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.629 2.226 25776 14689 1 19 . 1 1 115 115 GLY H H 115 8.952 8.952 7.645 1.307 25776 14690 1 19 . 1 1 116 116 VAL N N 116 118.641 118.641 118.418 0.223 25776 14691 1 19 . 1 1 116 116 VAL C C 116 172.617 172.617 174.237 -1.620 25776 14692 1 19 . 1 1 116 116 VAL CA C 116 60.716 60.716 61.370 -0.654 25776 14693 1 19 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.741 1.631 25776 14694 1 19 . 1 1 116 116 VAL H H 116 8.844 8.844 8.696 0.148 25776 14695 1 19 . 1 1 117 117 ASN N N 117 123.839 123.839 123.110 0.729 25776 14696 1 19 . 1 1 117 117 ASN C C 117 171.105 171.105 173.377 -2.272 25776 14697 1 19 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.299 0.643 25776 14698 1 19 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.710 2.868 25776 14699 1 19 . 1 1 117 117 ASN H H 117 9.647 9.647 8.978 0.669 25776 14700 1 19 . 1 1 118 118 TYR N N 118 125.160 125.160 127.940 -2.780 25776 14701 1 19 . 1 1 118 118 TYR C C 118 174.349 174.349 173.807 0.542 25776 14702 1 19 . 1 1 118 118 TYR CA C 118 56.557 56.557 57.208 -0.651 25776 14703 1 19 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.165 0.399 25776 14704 1 19 . 1 1 118 118 TYR H H 118 8.989 8.989 8.273 0.716 25776 14705 1 19 . 1 1 119 119 THR N N 119 124.319 124.319 121.490 2.829 25776 14706 1 19 . 1 1 119 119 THR C C 119 171.231 171.231 173.265 -2.034 25776 14707 1 19 . 1 1 119 119 THR CA C 119 62.951 62.951 60.784 2.167 25776 14708 1 19 . 1 1 119 119 THR CB C 119 72.427 72.427 71.532 0.895 25776 14709 1 19 . 1 1 119 119 THR H H 119 8.806 8.806 8.055 0.751 25776 14710 1 19 . 1 1 120 120 THR N N 120 119.978 119.978 121.889 -1.911 25776 14711 1 19 . 1 1 120 120 THR C C 120 171.174 171.174 173.782 -2.608 25776 14712 1 19 . 1 1 120 120 THR CA C 120 59.197 59.197 61.481 -2.284 25776 14713 1 19 . 1 1 120 120 THR CB C 120 72.088 72.088 69.995 2.093 25776 14714 1 19 . 1 1 120 120 THR H H 120 7.559 7.559 8.377 -0.818 25776 14715 1 19 . 1 1 121 121 PHE C C 121 175.289 175.289 175.007 0.282 25776 14716 1 19 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.550 2.819 25776 14717 1 19 . 1 1 122 122 PHE N N 122 117.578 117.578 121.905 -4.327 25776 14718 1 19 . 1 1 122 122 PHE C C 122 172.555 172.555 175.753 -3.198 25776 14719 1 19 . 1 1 122 122 PHE CA C 122 56.884 56.884 58.350 -1.466 25776 14720 1 19 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.869 0.362 25776 14721 1 19 . 1 1 122 122 PHE H H 122 8.541 8.541 8.127 0.414 25776 14722 1 19 . 1 1 123 123 ASP N N 123 116.448 116.448 119.304 -2.856 25776 14723 1 19 . 1 1 123 123 ASP C C 123 175.240 175.240 175.195 0.045 25776 14724 1 19 . 1 1 123 123 ASP CA C 123 55.834 55.834 53.413 2.421 25776 14725 1 19 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.184 -1.340 25776 14726 1 19 . 1 1 123 123 ASP H H 123 8.940 8.940 8.221 0.719 25776 14727 1 19 . 1 1 124 124 GLU C C 124 177.545 177.545 174.964 2.581 25776 14728 1 19 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.489 3.401 25776 14729 1 19 . 1 1 124 124 GLU CB C 124 29.458 29.458 32.007 -2.549 25776 14730 1 19 . 1 1 125 125 ASP N N 125 126.424 126.424 122.734 3.690 25776 14731 1 19 . 1 1 125 125 ASP C C 125 176.191 176.191 175.602 0.589 25776 14732 1 19 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.275 -0.264 25776 14733 1 19 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.558 1.991 25776 14734 1 19 . 1 1 125 125 ASP H H 125 9.100 9.100 8.480 0.620 25776 14735 1 19 . 1 1 126 126 LEU N N 126 127.990 127.990 121.023 6.967 25776 14736 1 19 . 1 1 126 126 LEU C C 126 175.808 175.808 175.448 0.360 25776 14737 1 19 . 1 1 126 126 LEU CA C 126 56.268 56.268 53.882 2.386 25776 14738 1 19 . 1 1 126 126 LEU CB C 126 44.856 44.856 43.836 1.020 25776 14739 1 19 . 1 1 126 126 LEU H H 126 8.570 8.570 7.940 0.630 25776 14740 1 19 . 1 1 127 127 ALA N N 127 124.126 124.126 124.824 -0.698 25776 14741 1 19 . 1 1 127 127 ALA C C 127 179.833 179.833 176.582 3.251 25776 14742 1 19 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.923 -0.202 25776 14743 1 19 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.102 0.957 25776 14744 1 19 . 1 1 127 127 ALA H H 127 7.885 7.885 8.387 -0.502 25776 14745 1 19 . 1 1 129 129 ASN C C 129 176.927 176.927 176.140 0.787 25776 14746 1 19 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.546 -1.073 25776 14747 1 19 . 1 1 130 130 ARG N N 130 117.748 117.748 124.492 -6.744 25776 14748 1 19 . 1 1 130 130 ARG C C 130 179.430 179.430 177.889 1.541 25776 14749 1 19 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.068 -1.225 25776 14750 1 19 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.463 -0.137 25776 14751 1 19 . 1 1 130 130 ARG H H 130 7.435 7.435 8.859 -1.424 25776 14752 1 19 . 1 1 131 131 LYS N N 131 122.261 122.261 119.886 2.375 25776 14753 1 19 . 1 1 131 131 LYS C C 131 180.937 180.937 177.308 3.629 25776 14754 1 19 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.009 2.452 25776 14755 1 19 . 1 1 131 131 LYS CB C 131 32.911 32.911 32.412 0.499 25776 14756 1 19 . 1 1 131 131 LYS H H 131 7.945 7.945 8.122 -0.177 25776 14757 1 19 . 1 1 132 132 ALA N N 132 122.083 122.083 120.630 1.453 25776 14758 1 19 . 1 1 132 132 ALA C C 132 178.748 178.748 179.501 -0.753 25776 14759 1 19 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.480 0.889 25776 14760 1 19 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.539 0.590 25776 14761 1 19 . 1 1 132 132 ALA H H 132 7.770 7.770 7.714 0.056 25776 14762 1 19 . 1 1 133 133 GLN N N 133 116.102 116.102 116.650 -0.548 25776 14763 1 19 . 1 1 133 133 GLN C C 133 175.525 175.525 176.900 -1.375 25776 14764 1 19 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.400 0.698 25776 14765 1 19 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.282 1.073 25776 14766 1 19 . 1 1 133 133 GLN H H 133 7.302 7.302 7.819 -0.517 25776 14767 1 19 . 1 1 134 134 GLY N N 134 104.444 104.444 108.536 -4.092 25776 14768 1 19 . 1 1 134 134 GLY C C 134 174.460 174.460 174.519 -0.059 25776 14769 1 19 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.669 0.213 25776 14770 1 19 . 1 1 134 134 GLY H H 134 7.596 7.596 7.632 -0.036 25776 14771 1 19 . 1 1 135 135 PHE N N 135 119.775 119.775 118.012 1.763 25776 14772 1 19 . 1 1 135 135 PHE C C 135 174.922 174.922 176.060 -1.138 25776 14773 1 19 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.070 2.824 25776 14774 1 19 . 1 1 135 135 PHE CB C 135 40.291 40.291 40.472 -0.181 25776 14775 1 19 . 1 1 135 135 PHE H H 135 7.737 7.737 8.071 -0.334 25776 14776 1 19 . 1 1 136 136 SER N N 136 115.673 115.673 119.466 -3.793 25776 14777 1 19 . 1 1 136 136 SER C C 136 174.415 174.415 174.860 -0.445 25776 14778 1 19 . 1 1 136 136 SER CA C 136 59.679 59.679 59.767 -0.088 25776 14779 1 19 . 1 1 136 136 SER CB C 136 66.246 66.246 63.430 2.816 25776 14780 1 19 . 1 1 136 136 SER H H 136 8.862 8.862 8.957 -0.095 25776 14781 1 19 . 1 1 137 137 SER N N 137 114.341 114.341 114.107 0.234 25776 14782 1 19 . 1 1 137 137 SER C C 137 172.164 172.164 173.016 -0.852 25776 14783 1 19 . 1 1 137 137 SER CA C 137 58.955 58.955 57.380 1.575 25776 14784 1 19 . 1 1 137 137 SER CB C 137 65.592 65.592 64.499 1.093 25776 14785 1 19 . 1 1 137 137 SER H H 137 7.912 7.912 8.052 -0.140 25776 14786 1 19 . 1 1 138 138 MET N N 138 120.555 120.555 122.079 -1.524 25776 14787 1 19 . 1 1 138 138 MET C C 138 173.189 173.189 175.637 -2.448 25776 14788 1 19 . 1 1 138 138 MET CA C 138 55.879 55.879 56.139 -0.260 25776 14789 1 19 . 1 1 138 138 MET CB C 138 36.962 36.962 33.709 3.253 25776 14790 1 19 . 1 1 138 138 MET H H 138 8.461 8.461 8.482 -0.021 25776 14791 1 19 . 1 1 141 141 GLN C C 141 176.182 176.182 174.845 1.337 25776 14792 1 19 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.721 2.714 25776 14793 1 19 . 1 1 142 142 ASP N N 142 124.414 124.414 119.746 4.668 25776 14794 1 19 . 1 1 142 142 ASP C C 142 175.702 175.702 175.370 0.332 25776 14795 1 19 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.458 1.849 25776 14796 1 19 . 1 1 142 142 ASP CB C 142 41.738 41.738 42.629 -0.891 25776 14797 1 19 . 1 1 142 142 ASP H H 142 8.728 8.728 8.894 -0.166 25776 14798 1 19 . 1 1 143 143 SER N N 143 114.920 114.920 113.962 0.958 25776 14799 1 19 . 1 1 143 143 SER C C 143 172.289 172.289 172.256 0.033 25776 14800 1 19 . 1 1 143 143 SER CA C 143 57.652 57.652 58.289 -0.637 25776 14801 1 19 . 1 1 143 143 SER CB C 143 66.215 66.215 65.219 0.996 25776 14802 1 19 . 1 1 143 143 SER H H 143 8.703 8.703 8.274 0.429 25776 14803 1 19 . 1 1 144 144 TRP N N 144 126.444 126.444 123.700 2.744 25776 14804 1 19 . 1 1 144 144 TRP C C 144 177.307 177.307 173.858 3.449 25776 14805 1 19 . 1 1 144 144 TRP CA C 144 56.875 56.875 55.934 0.941 25776 14806 1 19 . 1 1 144 144 TRP CB C 144 33.364 33.364 30.912 2.452 25776 14807 1 19 . 1 1 144 144 TRP H H 144 8.101 8.101 7.908 0.193 25776 14808 1 19 . 1 1 145 145 GLY N N 145 108.757 108.757 108.883 -0.126 25776 14809 1 19 . 1 1 145 145 GLY C C 145 171.985 171.985 172.621 -0.636 25776 14810 1 19 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.730 2.818 25776 14811 1 19 . 1 1 145 145 GLY H H 145 8.889 8.889 8.100 0.789 25776 14812 1 19 . 1 1 146 146 LEU N N 146 121.579 121.579 120.259 1.320 25776 14813 1 19 . 1 1 146 146 LEU C C 146 174.909 174.909 176.091 -1.182 25776 14814 1 19 . 1 1 146 146 LEU CA C 146 56.175 56.175 53.526 2.650 25776 14815 1 19 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.322 1.841 25776 14816 1 19 . 1 1 146 146 LEU H H 146 9.035 9.035 7.898 1.137 25776 14817 1 19 . 1 1 147 147 ALA N N 147 121.342 121.342 120.507 0.835 25776 14818 1 19 . 1 1 147 147 ALA C C 147 175.588 175.588 176.393 -0.805 25776 14819 1 19 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.356 0.578 25776 14820 1 19 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.741 2.364 25776 14821 1 19 . 1 1 147 147 ALA H H 147 8.123 8.123 8.969 -0.846 25776 14822 1 19 . 1 1 148 148 GLY N N 148 106.598 106.598 105.473 1.125 25776 14823 1 19 . 1 1 148 148 GLY C C 148 171.829 171.829 171.603 0.226 25776 14824 1 19 . 1 1 148 148 GLY CA C 148 44.748 44.748 45.259 -0.511 25776 14825 1 19 . 1 1 148 148 GLY H H 148 9.216 9.216 7.868 1.348 25776 14826 1 19 . 1 1 149 149 GLU N N 149 122.775 122.775 122.671 0.104 25776 14827 1 19 . 1 1 149 149 GLU C C 149 174.078 174.078 173.781 0.297 25776 14828 1 19 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.174 0.628 25776 14829 1 19 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.223 5.192 25776 14830 1 19 . 1 1 149 149 GLU H H 149 8.493 8.493 8.171 0.322 25776 14831 1 19 . 1 1 150 150 LEU N N 150 126.310 126.310 126.463 -0.153 25776 14832 1 19 . 1 1 150 150 LEU C C 150 174.309 174.309 174.837 -0.528 25776 14833 1 19 . 1 1 150 150 LEU CA C 150 54.942 54.942 53.904 1.038 25776 14834 1 19 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.785 2.705 25776 14835 1 19 . 1 1 150 150 LEU H H 150 8.580 8.580 7.939 0.641 25776 14836 1 19 . 1 1 151 151 GLY N N 151 109.909 109.909 110.414 -0.505 25776 14837 1 19 . 1 1 151 151 GLY C C 151 170.538 170.538 171.417 -0.879 25776 14838 1 19 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.861 0.759 25776 14839 1 19 . 1 1 151 151 GLY H H 151 8.115 8.115 8.548 -0.433 25776 14840 1 19 . 1 1 152 152 PHE N N 152 111.012 111.012 116.772 -5.760 25776 14841 1 19 . 1 1 152 152 PHE C C 152 171.455 171.455 174.319 -2.864 25776 14842 1 19 . 1 1 152 152 PHE CA C 152 58.712 58.712 57.510 1.202 25776 14843 1 19 . 1 1 152 152 PHE CB C 152 42.495 42.495 43.112 -0.617 25776 14844 1 19 . 1 1 152 152 PHE H H 152 8.365 8.365 8.607 -0.242 25776 14845 1 19 . 1 1 153 153 ASP N N 153 119.057 119.057 123.845 -4.788 25776 14846 1 19 . 1 1 153 153 ASP C C 153 176.522 176.522 175.362 1.160 25776 14847 1 19 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.893 -0.427 25776 14848 1 19 . 1 1 153 153 ASP CB C 153 45.097 45.097 41.952 3.145 25776 14849 1 19 . 1 1 153 153 ASP H H 153 8.014 8.014 8.811 -0.797 25776 14850 1 19 . 1 1 154 154 TYR N N 154 123.640 123.640 125.727 -2.087 25776 14851 1 19 . 1 1 154 154 TYR C C 154 175.593 175.593 175.077 0.516 25776 14852 1 19 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.240 0.648 25776 14853 1 19 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.886 3.936 25776 14854 1 19 . 1 1 154 154 TYR H H 154 9.744 9.744 8.393 1.351 25776 14855 1 19 . 1 1 155 155 MET N N 155 126.409 126.409 121.271 5.138 25776 14856 1 19 . 1 1 155 155 MET C C 155 174.938 174.938 175.121 -0.183 25776 14857 1 19 . 1 1 155 155 MET CA C 155 55.410 55.410 55.607 -0.197 25776 14858 1 19 . 1 1 155 155 MET CB C 155 29.170 29.170 33.047 -3.877 25776 14859 1 19 . 1 1 155 155 MET H H 155 8.659 8.659 8.221 0.438 25776 14860 1 19 . 1 1 156 156 LEU N N 156 125.396 125.396 125.022 0.374 25776 14861 1 19 . 1 1 156 156 LEU C C 156 177.567 177.567 177.301 0.266 25776 14862 1 19 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.827 0.746 25776 14863 1 19 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.959 0.953 25776 14864 1 19 . 1 1 156 156 LEU H H 156 9.232 9.232 8.195 1.037 25776 14865 1 19 . 1 1 157 157 ASN N N 157 114.903 114.903 113.658 1.245 25776 14866 1 19 . 1 1 157 157 ASN C C 157 173.568 173.568 175.880 -2.312 25776 14867 1 19 . 1 1 157 157 ASN CA C 157 53.192 53.192 55.232 -2.040 25776 14868 1 19 . 1 1 157 157 ASN CB C 157 37.911 37.911 36.300 1.611 25776 14869 1 19 . 1 1 157 157 ASN H H 157 8.099 8.099 8.133 -0.034 25776 14870 1 19 . 1 1 158 158 GLU N N 158 114.724 114.724 118.650 -3.926 25776 14871 1 19 . 1 1 158 158 GLU C C 158 176.032 176.032 177.689 -1.657 25776 14872 1 19 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.488 2.190 25776 14873 1 19 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.266 0.249 25776 14874 1 19 . 1 1 158 158 GLU H H 158 8.625 8.625 8.581 0.044 25776 14875 1 19 . 1 1 159 159 HIS N N 159 111.022 111.022 114.346 -3.324 25776 14876 1 19 . 1 1 159 159 HIS C C 159 173.158 173.158 173.909 -0.751 25776 14877 1 19 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.160 1.276 25776 14878 1 19 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.300 1.092 25776 14879 1 19 . 1 1 159 159 HIS H H 159 8.201 8.201 8.048 0.153 25776 14880 1 19 . 1 1 160 160 ALA N N 160 122.967 122.967 119.340 3.627 25776 14881 1 19 . 1 1 160 160 ALA C C 160 176.212 176.212 174.851 1.361 25776 14882 1 19 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.631 0.691 25776 14883 1 19 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.918 1.508 25776 14884 1 19 . 1 1 160 160 ALA H H 160 8.389 8.389 7.513 0.875 25776 14885 1 19 . 1 1 161 161 LEU N N 161 116.648 116.648 118.061 -1.413 25776 14886 1 19 . 1 1 161 161 LEU C C 161 174.922 174.922 175.585 -0.663 25776 14887 1 19 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.808 1.077 25776 14888 1 19 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.836 1.659 25776 14889 1 19 . 1 1 161 161 LEU H H 161 8.616 8.616 8.327 0.289 25776 14890 1 19 . 1 1 162 162 PHE N N 162 121.938 121.938 118.031 3.907 25776 14891 1 19 . 1 1 162 162 PHE C C 162 171.989 171.989 175.346 -3.357 25776 14892 1 19 . 1 1 162 162 PHE CA C 162 57.018 57.018 55.744 1.274 25776 14893 1 19 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.105 1.984 25776 14894 1 19 . 1 1 162 162 PHE H H 162 9.221 9.221 8.385 0.836 25776 14895 1 19 . 1 1 163 163 ASN N N 163 127.932 127.932 119.374 8.558 25776 14896 1 19 . 1 1 163 163 ASN C C 163 171.357 171.357 174.158 -2.801 25776 14897 1 19 . 1 1 163 163 ASN CA C 163 52.949 52.949 53.116 -0.167 25776 14898 1 19 . 1 1 163 163 ASN CB C 163 47.040 47.040 40.842 6.198 25776 14899 1 19 . 1 1 163 163 ASN H H 163 7.735 7.735 8.670 -0.935 25776 14900 1 19 . 1 1 164 164 MET N N 164 120.121 120.121 122.701 -2.580 25776 14901 1 19 . 1 1 164 164 MET C C 164 172.837 172.837 174.271 -1.434 25776 14902 1 19 . 1 1 164 164 MET CA C 164 55.914 55.914 55.122 0.792 25776 14903 1 19 . 1 1 164 164 MET CB C 164 38.643 38.643 37.142 1.501 25776 14904 1 19 . 1 1 164 164 MET H H 164 7.092 7.092 8.139 -1.047 25776 14905 1 19 . 1 1 165 165 ALA N N 165 120.745 120.745 123.729 -2.984 25776 14906 1 19 . 1 1 165 165 ALA C C 165 174.047 174.047 174.339 -0.292 25776 14907 1 19 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.209 1.205 25776 14908 1 19 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.497 0.646 25776 14909 1 19 . 1 1 165 165 ALA H H 165 8.370 8.370 8.631 -0.261 25776 14910 1 19 . 1 1 166 166 VAL N N 166 118.385 118.385 119.001 -0.616 25776 14911 1 19 . 1 1 166 166 VAL C C 166 172.556 172.556 175.028 -2.472 25776 14912 1 19 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.100 0.528 25776 14913 1 19 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.702 2.425 25776 14914 1 19 . 1 1 166 166 VAL H H 166 8.723 8.723 8.537 0.186 25776 14915 1 19 . 1 1 167 167 TRP N N 167 123.258 123.258 129.730 -6.472 25776 14916 1 19 . 1 1 167 167 TRP C C 167 174.016 174.016 175.211 -1.195 25776 14917 1 19 . 1 1 167 167 TRP CA C 167 57.604 57.604 56.572 1.032 25776 14918 1 19 . 1 1 167 167 TRP CB C 167 33.659 33.659 32.089 1.571 25776 14919 1 19 . 1 1 167 167 TRP H H 167 9.312 9.312 8.167 1.145 25776 14920 1 19 . 1 1 168 168 TYR N N 168 121.455 121.455 123.512 -2.057 25776 14921 1 19 . 1 1 168 168 TYR C C 168 175.110 175.110 174.338 0.772 25776 14922 1 19 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.127 0.059 25776 14923 1 19 . 1 1 168 168 TYR CB C 168 42.440 42.440 41.992 0.447 25776 14924 1 19 . 1 1 168 168 TYR H H 168 8.398 8.398 8.178 0.220 25776 14925 1 19 . 1 1 169 169 MET N N 169 124.800 124.800 126.616 -1.816 25776 14926 1 19 . 1 1 169 169 MET C C 169 172.688 172.688 174.144 -1.456 25776 14927 1 19 . 1 1 169 169 MET CA C 169 55.640 55.640 54.956 0.684 25776 14928 1 19 . 1 1 169 169 MET CB C 169 34.143 34.143 34.039 0.104 25776 14929 1 19 . 1 1 169 169 MET H H 169 8.131 8.131 8.529 -0.398 25776 14930 1 19 . 1 1 170 170 ASP N N 170 122.780 122.780 128.754 -5.974 25776 14931 1 19 . 1 1 170 170 ASP C C 170 174.864 174.864 175.220 -0.356 25776 14932 1 19 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.343 1.540 25776 14933 1 19 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.242 -0.564 25776 14934 1 19 . 1 1 170 170 ASP H H 170 8.191 8.191 8.330 -0.139 25776 14935 1 19 . 1 1 171 171 ILE N N 171 127.252 127.252 120.597 6.655 25776 14936 1 19 . 1 1 171 171 ILE C C 171 174.476 174.476 174.841 -0.365 25776 14937 1 19 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.702 -0.759 25776 14938 1 19 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.311 2.210 25776 14939 1 19 . 1 1 171 171 ILE H H 171 7.805 7.805 8.190 -0.385 25776 14940 1 19 . 1 1 172 172 ASP N N 172 129.369 129.369 126.476 2.893 25776 14941 1 19 . 1 1 172 172 ASP C C 172 174.520 174.520 175.335 -0.815 25776 14942 1 19 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.211 0.590 25776 14943 1 19 . 1 1 172 172 ASP CB C 172 43.089 43.089 43.463 -0.374 25776 14944 1 19 . 1 1 172 172 ASP H H 172 8.541 8.541 8.465 0.076 25776 14945 1 19 . 1 1 173 173 THR N N 173 118.920 118.920 115.210 3.710 25776 14946 1 19 . 1 1 173 173 THR C C 173 172.170 172.170 174.702 -2.532 25776 14947 1 19 . 1 1 173 173 THR CA C 173 60.936 60.936 61.360 -0.424 25776 14948 1 19 . 1 1 173 173 THR CB C 173 70.002 70.002 70.091 -0.089 25776 14949 1 19 . 1 1 173 173 THR H H 173 8.814 8.814 8.062 0.752 25776 14950 1 19 . 1 1 176 176 SER C C 176 174.672 174.672 174.028 0.644 25776 14951 1 19 . 1 1 176 176 SER CA C 176 58.834 58.834 57.380 1.454 25776 14952 1 19 . 1 1 176 176 SER CB C 176 64.984 64.984 62.815 2.169 25776 14953 1 19 . 1 1 177 177 ILE N N 177 121.645 121.645 123.466 -1.821 25776 14954 1 19 . 1 1 177 177 ILE C C 177 174.945 174.945 175.594 -0.649 25776 14955 1 19 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.349 1.997 25776 14956 1 19 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.769 1.370 25776 14957 1 19 . 1 1 177 177 ILE H H 177 7.993 7.993 8.221 -0.228 25776 14958 1 19 . 1 1 178 178 ASN N N 178 127.223 127.223 123.115 4.108 25776 14959 1 19 . 1 1 178 178 ASN C C 178 179.120 179.120 174.594 4.526 25776 14960 1 19 . 1 1 178 178 ASN CA C 178 55.663 55.663 52.961 2.702 25776 14961 1 19 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.843 3.076 25776 14962 1 19 . 1 1 178 178 ASN H H 178 7.882 7.882 8.536 -0.654 25776 14963 1 19 . 1 1 182 182 ALA N N 182 124.095 124.095 123.647 0.448 25776 14964 1 19 . 1 1 182 182 ALA C C 182 177.680 177.680 175.114 2.566 25776 14965 1 19 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.780 2.436 25776 14966 1 19 . 1 1 182 182 ALA CB C 182 19.769 19.769 20.494 -0.726 25776 14967 1 19 . 1 1 182 182 ALA H H 182 8.100 8.100 7.814 0.286 25776 14968 1 19 . 1 1 183 183 LEU N N 183 118.394 118.394 116.494 1.900 25776 14969 1 19 . 1 1 183 183 LEU C C 183 177.352 177.352 176.552 0.800 25776 14970 1 19 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.217 0.610 25776 14971 1 19 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.639 -0.455 25776 14972 1 19 . 1 1 183 183 LEU H H 183 7.854 7.854 8.273 -0.419 25776 14973 1 19 . 1 1 184 184 GLY N N 184 107.897 107.897 111.980 -4.083 25776 14974 1 19 . 1 1 184 184 GLY C C 184 174.288 174.288 174.961 -0.673 25776 14975 1 19 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.723 1.953 25776 14976 1 19 . 1 1 184 184 GLY H H 184 7.883 7.883 8.475 -0.592 25776 14977 1 19 . 1 1 185 185 VAL N N 185 118.254 118.254 119.515 -1.261 25776 14978 1 19 . 1 1 185 185 VAL C C 185 175.475 175.475 175.941 -0.466 25776 14979 1 19 . 1 1 185 185 VAL CA C 185 63.048 63.048 60.568 2.480 25776 14980 1 19 . 1 1 185 185 VAL CB C 185 33.471 33.471 30.631 2.840 25776 14981 1 19 . 1 1 185 185 VAL H H 185 7.676 7.676 8.447 -0.771 25776 14982 1 19 . 1 1 186 186 ASN N N 186 121.756 121.756 117.570 4.186 25776 14983 1 19 . 1 1 186 186 ASN C C 186 174.724 174.724 174.724 0.000 25776 14984 1 19 . 1 1 186 186 ASN CA C 186 54.593 54.593 54.210 0.383 25776 14985 1 19 . 1 1 186 186 ASN CB C 186 39.898 39.898 38.210 1.688 25776 14986 1 19 . 1 1 186 186 ASN H H 186 8.331 8.331 8.373 -0.042 25776 14987 1 19 . 1 1 187 187 LYS N N 187 120.959 120.959 118.697 2.262 25776 14988 1 19 . 1 1 187 187 LYS C C 187 174.652 174.652 174.639 0.013 25776 14989 1 19 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.338 0.860 25776 14990 1 19 . 1 1 187 187 LYS CB C 187 34.043 34.043 34.243 -0.200 25776 14991 1 19 . 1 1 187 187 LYS H H 187 8.031 8.031 7.810 0.221 25776 14992 1 19 . 1 1 189 189 LYS C C 189 176.088 176.088 174.593 1.495 25776 14993 1 19 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.187 1.255 25776 14994 1 19 . 1 1 190 190 VAL N N 190 121.122 121.122 121.553 -0.431 25776 14995 1 19 . 1 1 190 190 VAL C C 190 175.545 175.545 173.744 1.801 25776 14996 1 19 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.359 0.762 25776 14997 1 19 . 1 1 190 190 VAL CB C 190 33.948 33.948 34.450 -0.502 25776 14998 1 19 . 1 1 190 190 VAL H H 190 8.067 8.067 8.676 -0.609 25776 14999 1 19 . 1 1 191 191 ASP N N 191 124.022 124.022 124.957 -0.935 25776 15000 1 19 . 1 1 191 191 ASP C C 191 175.710 175.710 174.609 1.101 25776 15001 1 19 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.636 1.633 25776 15002 1 19 . 1 1 191 191 ASP CB C 191 41.978 41.978 42.849 -0.871 25776 15003 1 19 . 1 1 191 191 ASP H H 191 8.282 8.282 8.339 -0.057 25776 15004 1 19 . 1 1 192 192 VAL N N 192 118.928 118.928 119.047 -0.119 25776 15005 1 19 . 1 1 192 192 VAL C C 192 175.433 175.433 174.781 0.652 25776 15006 1 19 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.898 0.922 25776 15007 1 19 . 1 1 192 192 VAL CB C 192 34.105 34.105 33.435 0.670 25776 15008 1 19 . 1 1 192 192 VAL H H 192 7.877 7.877 8.190 -0.313 25776 15009 1 19 . 1 1 193 193 ASP N N 193 124.364 124.364 128.092 -3.728 25776 15010 1 19 . 1 1 193 193 ASP C C 193 176.118 176.118 175.087 1.031 25776 15011 1 19 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.450 0.761 25776 15012 1 19 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.797 0.236 25776 15013 1 19 . 1 1 193 193 ASP H H 193 8.335 8.335 8.555 -0.220 25776 15014 1 19 . 1 1 198 198 VAL N N 198 126.400 126.400 117.600 8.800 25776 15015 1 19 . 1 1 198 198 VAL C C 198 174.600 174.600 173.885 0.715 25776 15016 1 19 . 1 1 198 198 VAL CA C 198 60.440 60.440 60.862 -0.422 25776 15017 1 19 . 1 1 198 198 VAL CB C 198 35.100 35.100 34.878 0.222 25776 15018 1 19 . 1 1 198 198 VAL H H 198 8.474 8.474 8.244 0.230 25776 15019 1 19 . 1 1 199 199 TYR N N 199 123.900 123.900 121.660 2.240 25776 15020 1 19 . 1 1 199 199 TYR C C 199 173.600 173.600 175.338 -1.738 25776 15021 1 19 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.079 -1.569 25776 15022 1 19 . 1 1 199 199 TYR CB C 199 40.630 40.630 40.740 -0.110 25776 15023 1 19 . 1 1 199 199 TYR H H 199 8.748 8.748 8.352 0.396 25776 15024 1 19 . 1 1 200 200 MET N N 200 123.700 123.700 122.834 0.866 25776 15025 1 19 . 1 1 200 200 MET CA C 200 49.420 49.420 54.184 -4.764 25776 15026 1 19 . 1 1 200 200 MET H H 200 9.057 9.057 8.442 0.615 25776 15027 1 19 . 1 1 201 201 ILE C C 201 174.016 174.016 173.642 0.374 25776 15028 1 19 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.663 0.811 25776 15029 1 19 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.545 1.889 25776 15030 1 19 . 1 1 202 202 GLY N N 202 113.215 113.215 111.610 1.605 25776 15031 1 19 . 1 1 202 202 GLY C C 202 170.124 170.124 172.293 -2.169 25776 15032 1 19 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.090 3.470 25776 15033 1 19 . 1 1 202 202 GLY H H 202 8.646 8.646 7.701 0.945 25776 15034 1 19 . 1 1 203 203 PHE N N 203 116.782 116.782 117.187 -0.405 25776 15035 1 19 . 1 1 203 203 PHE C C 203 174.063 174.063 175.028 -0.965 25776 15036 1 19 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.861 -0.409 25776 15037 1 19 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.710 1.989 25776 15038 1 19 . 1 1 203 203 PHE H H 203 8.482 8.482 8.528 -0.046 25776 15039 1 19 . 1 1 204 204 GLY N N 204 105.936 105.936 106.720 -0.784 25776 15040 1 19 . 1 1 204 204 GLY C C 204 171.097 171.097 171.820 -0.723 25776 15041 1 19 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.605 2.869 25776 15042 1 19 . 1 1 204 204 GLY H H 204 9.003 9.003 8.585 0.418 25776 15043 1 19 . 1 1 205 205 TYR N N 205 121.196 121.196 119.034 2.162 25776 15044 1 19 . 1 1 205 205 TYR C C 205 172.994 172.994 173.594 -0.600 25776 15045 1 19 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.470 1.216 25776 15046 1 19 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.946 2.244 25776 15047 1 19 . 1 1 205 205 TYR H H 205 9.413 9.413 8.346 1.067 25776 15048 1 19 . 1 1 206 206 LYS N N 206 126.788 126.788 125.246 1.542 25776 15049 1 19 . 1 1 206 206 LYS C C 206 174.161 174.161 174.559 -0.398 25776 15050 1 19 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.428 0.002 25776 15051 1 19 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.187 2.238 25776 15052 1 19 . 1 1 206 206 LYS H H 206 8.364 8.364 7.979 0.385 25776 15053 1 19 . 1 1 207 207 PHE N N 207 126.168 126.168 121.526 4.642 25776 15054 1 19 . 1 1 207 207 PHE C C 207 175.094 175.094 174.848 0.246 25776 15055 1 19 . 1 1 207 207 PHE CA C 207 58.690 58.690 57.518 1.172 25776 15056 1 19 . 1 1 207 207 PHE CB C 207 41.663 41.663 41.315 0.348 25776 15057 1 19 . 1 1 207 207 PHE H H 207 9.308 9.308 8.005 1.303 25776 15058 1 19 . 1 1 208 208 LEU N N 208 123.199 123.199 123.575 -0.376 25776 15059 1 19 . 1 1 208 208 LEU C C 208 176.580 176.580 176.543 0.037 25776 15060 1 19 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.755 0.716 25776 15061 1 19 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.919 0.794 25776 15062 1 19 . 1 1 208 208 LEU H H 208 8.376 8.376 8.429 -0.053 25776 15063 1 19 . 1 1 209 209 GLU N N 209 121.960 121.960 123.276 -1.316 25776 15064 1 19 . 1 1 209 209 GLU C C 209 176.226 176.226 176.482 -0.256 25776 15065 1 19 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.524 1.208 25776 15066 1 19 . 1 1 209 209 GLU CB C 209 31.453 31.453 29.992 1.461 25776 15067 1 19 . 1 1 209 209 GLU H H 209 8.500 8.500 9.020 -0.520 25776 15068 1 20 . 1 1 2 2 HIS C C 2 175.393 175.393 175.096 0.297 25776 15069 1 20 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.316 -1.512 25776 15070 1 20 . 1 1 2 2 HIS CB C 2 30.780 30.780 29.452 1.328 25776 15071 1 20 . 1 1 3 3 LYS N N 3 121.908 121.908 123.183 -1.275 25776 15072 1 20 . 1 1 3 3 LYS C C 3 173.475 173.475 174.965 -1.490 25776 15073 1 20 . 1 1 3 3 LYS CA C 3 55.027 55.027 54.476 0.551 25776 15074 1 20 . 1 1 3 3 LYS CB C 3 35.200 35.200 36.442 -1.242 25776 15075 1 20 . 1 1 3 3 LYS H H 3 8.608 8.608 8.030 0.578 25776 15076 1 20 . 1 1 4 4 ALA N N 4 120.771 120.771 121.302 -0.531 25776 15077 1 20 . 1 1 4 4 ALA C C 4 178.118 178.118 178.625 -0.507 25776 15078 1 20 . 1 1 4 4 ALA CA C 4 53.439 53.439 53.397 0.042 25776 15079 1 20 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.756 -0.707 25776 15080 1 20 . 1 1 4 4 ALA H H 4 8.581 8.581 8.273 0.308 25776 15081 1 20 . 1 1 5 5 GLY N N 5 112.807 112.807 110.380 2.427 25776 15082 1 20 . 1 1 5 5 GLY C C 5 173.788 173.788 174.056 -0.268 25776 15083 1 20 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.721 0.099 25776 15084 1 20 . 1 1 5 5 GLY H H 5 9.170 9.170 8.523 0.647 25776 15085 1 20 . 1 1 6 6 ASP N N 6 121.504 121.504 121.773 -0.269 25776 15086 1 20 . 1 1 6 6 ASP C C 6 174.307 174.307 174.701 -0.394 25776 15087 1 20 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.045 0.773 25776 15088 1 20 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.171 0.404 25776 15089 1 20 . 1 1 6 6 ASP H H 6 7.619 7.619 7.485 0.134 25776 15090 1 20 . 1 1 7 7 PHE N N 7 121.212 121.212 119.842 1.370 25776 15091 1 20 . 1 1 7 7 PHE C C 7 174.030 174.030 173.759 0.271 25776 15092 1 20 . 1 1 7 7 PHE CA C 7 56.601 56.601 54.770 1.831 25776 15093 1 20 . 1 1 7 7 PHE CB C 7 43.076 43.076 40.263 2.813 25776 15094 1 20 . 1 1 7 7 PHE H H 7 8.285 8.285 8.192 0.093 25776 15095 1 20 . 1 1 8 8 ILE N N 8 128.185 128.185 117.740 10.445 25776 15096 1 20 . 1 1 8 8 ILE C C 8 173.961 173.961 174.091 -0.130 25776 15097 1 20 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.094 2.628 25776 15098 1 20 . 1 1 8 8 ILE CB C 8 43.669 43.669 42.261 1.408 25776 15099 1 20 . 1 1 8 8 ILE H H 8 9.245 9.245 8.909 0.336 25776 15100 1 20 . 1 1 9 9 ILE N N 9 125.624 125.624 123.032 2.592 25776 15101 1 20 . 1 1 9 9 ILE C C 9 173.731 173.731 175.454 -1.723 25776 15102 1 20 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.357 -0.067 25776 15103 1 20 . 1 1 9 9 ILE CB C 9 42.091 42.091 38.520 3.571 25776 15104 1 20 . 1 1 9 9 ILE H H 9 8.628 8.628 8.419 0.209 25776 15105 1 20 . 1 1 10 10 ARG N N 10 125.025 125.025 127.074 -2.049 25776 15106 1 20 . 1 1 10 10 ARG C C 10 175.074 175.074 176.474 -1.400 25776 15107 1 20 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.792 -0.298 25776 15108 1 20 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.289 -0.517 25776 15109 1 20 . 1 1 10 10 ARG H H 10 9.225 9.225 8.040 1.185 25776 15110 1 20 . 1 1 11 11 GLY N N 11 106.141 106.141 105.281 0.860 25776 15111 1 20 . 1 1 11 11 GLY C C 11 171.959 171.959 172.477 -0.518 25776 15112 1 20 . 1 1 11 11 GLY CA C 11 45.207 45.207 44.674 0.533 25776 15113 1 20 . 1 1 11 11 GLY H H 11 8.885 8.885 8.643 0.242 25776 15114 1 20 . 1 1 12 12 GLY N N 12 107.818 107.818 105.081 2.737 25776 15115 1 20 . 1 1 12 12 GLY C C 12 171.465 171.465 172.575 -1.110 25776 15116 1 20 . 1 1 12 12 GLY CA C 12 47.313 47.313 45.480 1.833 25776 15117 1 20 . 1 1 12 12 GLY H H 12 8.433 8.433 7.771 0.662 25776 15118 1 20 . 1 1 13 13 PHE N N 13 120.233 120.233 120.650 -0.417 25776 15119 1 20 . 1 1 13 13 PHE C C 13 174.056 174.056 176.159 -2.103 25776 15120 1 20 . 1 1 13 13 PHE CA C 13 57.151 57.151 58.208 -1.056 25776 15121 1 20 . 1 1 13 13 PHE CB C 13 41.625 41.625 40.140 1.485 25776 15122 1 20 . 1 1 13 13 PHE H H 13 8.606 8.606 8.735 -0.129 25776 15123 1 20 . 1 1 18 18 PRO C C 18 176.552 176.552 175.382 1.170 25776 15124 1 20 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.179 0.912 25776 15125 1 20 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.607 1.042 25776 15126 1 20 . 1 1 19 19 ASP N N 19 121.094 121.094 118.450 2.644 25776 15127 1 20 . 1 1 19 19 ASP C C 19 176.047 176.047 175.873 0.174 25776 15128 1 20 . 1 1 19 19 ASP CA C 19 55.274 55.274 55.352 -0.078 25776 15129 1 20 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.550 1.493 25776 15130 1 20 . 1 1 19 19 ASP H H 19 8.372 8.372 8.398 -0.026 25776 15131 1 20 . 1 1 20 20 ASP N N 20 123.179 123.179 120.526 2.653 25776 15132 1 20 . 1 1 20 20 ASP C C 20 176.790 176.790 177.375 -0.585 25776 15133 1 20 . 1 1 20 20 ASP CA C 20 55.095 55.095 54.730 0.365 25776 15134 1 20 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.461 0.373 25776 15135 1 20 . 1 1 20 20 ASP H H 20 8.357 8.357 8.611 -0.254 25776 15136 1 20 . 1 1 21 21 SER N N 21 117.319 117.319 115.845 1.474 25776 15137 1 20 . 1 1 21 21 SER C C 21 175.218 175.218 174.927 0.291 25776 15138 1 20 . 1 1 21 21 SER CA C 21 60.134 60.134 60.529 -0.395 25776 15139 1 20 . 1 1 21 21 SER CB C 21 64.701 64.701 63.296 1.405 25776 15140 1 20 . 1 1 21 21 SER H H 21 8.398 8.398 8.449 -0.051 25776 15141 1 20 . 1 1 22 22 SER N N 22 117.994 117.994 115.995 1.999 25776 15142 1 20 . 1 1 22 22 SER C C 22 174.877 174.877 174.214 0.663 25776 15143 1 20 . 1 1 22 22 SER CA C 22 59.839 59.839 58.739 1.101 25776 15144 1 20 . 1 1 22 22 SER CB C 22 64.669 64.669 62.448 2.221 25776 15145 1 20 . 1 1 22 22 SER H H 22 8.314 8.314 8.260 0.054 25776 15146 1 20 . 1 1 23 23 SER N N 23 117.809 117.809 120.136 -2.327 25776 15147 1 20 . 1 1 23 23 SER C C 23 174.298 174.298 173.909 0.389 25776 15148 1 20 . 1 1 23 23 SER CA C 23 59.629 59.629 58.425 1.204 25776 15149 1 20 . 1 1 23 23 SER CB C 23 64.802 64.802 64.434 0.368 25776 15150 1 20 . 1 1 23 23 SER H H 23 8.143 8.143 8.288 -0.145 25776 15151 1 20 . 1 1 24 24 ASP N N 24 122.829 122.829 122.299 0.530 25776 15152 1 20 . 1 1 24 24 ASP C C 24 176.250 176.250 175.194 1.056 25776 15153 1 20 . 1 1 24 24 ASP CA C 24 55.493 55.493 55.664 -0.171 25776 15154 1 20 . 1 1 24 24 ASP CB C 24 41.841 41.841 40.622 1.219 25776 15155 1 20 . 1 1 24 24 ASP H H 24 8.234 8.234 8.144 0.090 25776 15156 1 20 . 1 1 25 25 ILE N N 25 120.717 120.717 123.474 -2.757 25776 15157 1 20 . 1 1 25 25 ILE C C 25 176.204 176.204 176.597 -0.393 25776 15158 1 20 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.526 1.030 25776 15159 1 20 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.742 0.926 25776 15160 1 20 . 1 1 25 25 ILE H H 25 7.884 7.884 8.229 -0.345 25776 15161 1 20 . 1 1 26 26 LYS N N 26 124.527 124.527 119.123 5.404 25776 15162 1 20 . 1 1 26 26 LYS C C 26 176.616 176.616 174.840 1.776 25776 15163 1 20 . 1 1 26 26 LYS CA C 26 57.192 57.192 57.170 0.022 25776 15164 1 20 . 1 1 26 26 LYS CB C 26 33.809 33.809 31.835 1.974 25776 15165 1 20 . 1 1 26 26 LYS H H 26 8.164 8.164 8.304 -0.140 25776 15166 1 20 . 1 1 27 27 LEU N N 27 123.292 123.292 119.575 3.717 25776 15167 1 20 . 1 1 27 27 LEU C C 27 177.077 177.077 174.731 2.346 25776 15168 1 20 . 1 1 27 27 LEU CA C 27 56.173 56.173 54.371 1.802 25776 15169 1 20 . 1 1 27 27 LEU CB C 27 43.317 43.317 44.342 -1.024 25776 15170 1 20 . 1 1 27 27 LEU H H 27 8.100 8.100 7.572 0.528 25776 15171 1 20 . 1 1 28 28 ASP N N 28 121.059 121.059 123.886 -2.827 25776 15172 1 20 . 1 1 28 28 ASP C C 28 176.929 176.929 175.507 1.422 25776 15173 1 20 . 1 1 28 28 ASP CA C 28 55.348 55.348 53.910 1.438 25776 15174 1 20 . 1 1 28 28 ASP CB C 28 42.075 42.075 42.152 -0.077 25776 15175 1 20 . 1 1 28 28 ASP H H 28 8.209 8.209 8.495 -0.286 25776 15176 1 20 . 1 1 29 29 GLY N N 29 110.032 110.032 110.490 -0.458 25776 15177 1 20 . 1 1 29 29 GLY C C 29 174.364 174.364 173.344 1.020 25776 15178 1 20 . 1 1 29 29 GLY CA C 29 46.878 46.878 45.386 1.492 25776 15179 1 20 . 1 1 29 29 GLY H H 29 8.274 8.274 8.226 0.048 25776 15180 1 20 . 1 1 30 30 ALA N N 30 124.102 124.102 121.834 2.268 25776 15181 1 20 . 1 1 30 30 ALA C C 30 178.005 178.005 176.572 1.433 25776 15182 1 20 . 1 1 30 30 ALA CA C 30 53.824 53.824 51.737 2.087 25776 15183 1 20 . 1 1 30 30 ALA CB C 30 20.127 20.127 20.217 -0.090 25776 15184 1 20 . 1 1 30 30 ALA H H 30 8.085 8.085 7.943 0.142 25776 15185 1 20 . 1 1 31 31 LYS N N 31 119.810 119.810 120.321 -0.511 25776 15186 1 20 . 1 1 31 31 LYS C C 31 176.650 176.650 175.005 1.645 25776 15187 1 20 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.834 0.638 25776 15188 1 20 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.036 1.912 25776 15189 1 20 . 1 1 31 31 LYS H H 31 8.075 8.075 8.292 -0.217 25776 15190 1 20 . 1 1 32 32 GLN N N 32 121.045 121.045 121.278 -0.233 25776 15191 1 20 . 1 1 32 32 GLN C C 32 175.862 175.862 175.540 0.322 25776 15192 1 20 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.349 1.590 25776 15193 1 20 . 1 1 32 32 GLN CB C 32 30.194 30.194 30.392 -0.198 25776 15194 1 20 . 1 1 32 32 GLN H H 32 8.182 8.182 8.208 -0.026 25776 15195 1 20 . 1 1 33 33 ARG N N 33 122.683 122.683 123.093 -0.410 25776 15196 1 20 . 1 1 33 33 ARG C C 33 176.492 176.492 176.624 -0.132 25776 15197 1 20 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.456 0.626 25776 15198 1 20 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.816 1.136 25776 15199 1 20 . 1 1 33 33 ARG H H 33 8.288 8.288 8.344 -0.056 25776 15200 1 20 . 1 1 36 36 LYS C C 36 176.028 176.028 176.358 -0.330 25776 15201 1 20 . 1 1 36 36 LYS CA C 36 57.223 57.223 55.728 1.494 25776 15202 1 20 . 1 1 36 36 LYS CB C 36 34.262 34.262 32.865 1.397 25776 15203 1 20 . 1 1 37 37 ALA N N 37 125.793 125.793 126.877 -1.084 25776 15204 1 20 . 1 1 37 37 ALA C C 37 177.567 177.567 177.118 0.449 25776 15205 1 20 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.498 1.070 25776 15206 1 20 . 1 1 37 37 ALA CB C 37 20.408 20.408 17.450 2.958 25776 15207 1 20 . 1 1 37 37 ALA H H 37 8.329 8.329 8.893 -0.564 25776 15208 1 20 . 1 1 38 38 THR N N 38 113.398 113.398 108.421 4.977 25776 15209 1 20 . 1 1 38 38 THR C C 38 174.556 174.556 174.758 -0.202 25776 15210 1 20 . 1 1 38 38 THR CA C 38 62.551 62.551 62.398 0.152 25776 15211 1 20 . 1 1 38 38 THR CB C 38 71.054 71.054 68.873 2.181 25776 15212 1 20 . 1 1 38 38 THR H H 38 8.007 8.007 7.713 0.294 25776 15213 1 20 . 1 1 39 39 VAL N N 39 120.865 120.865 124.300 -3.435 25776 15214 1 20 . 1 1 39 39 VAL C C 39 175.523 175.523 176.792 -1.269 25776 15215 1 20 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.578 0.522 25776 15216 1 20 . 1 1 39 39 VAL CB C 39 34.044 34.044 31.695 2.349 25776 15217 1 20 . 1 1 39 39 VAL H H 39 8.043 8.043 8.353 -0.310 25776 15218 1 20 . 1 1 40 40 ASP N N 40 124.053 124.053 119.442 4.611 25776 15219 1 20 . 1 1 40 40 ASP C C 40 176.132 176.132 175.673 0.459 25776 15220 1 20 . 1 1 40 40 ASP CA C 40 55.281 55.281 55.077 0.204 25776 15221 1 20 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.016 1.203 25776 15222 1 20 . 1 1 40 40 ASP H H 40 8.333 8.333 7.960 0.373 25776 15223 1 20 . 1 1 41 41 SER N N 41 115.655 115.655 115.681 -0.026 25776 15224 1 20 . 1 1 41 41 SER C C 41 174.147 174.147 172.501 1.646 25776 15225 1 20 . 1 1 41 41 SER CA C 41 59.367 59.367 58.540 0.827 25776 15226 1 20 . 1 1 41 41 SER CB C 41 65.027 65.027 63.261 1.766 25776 15227 1 20 . 1 1 41 41 SER H H 41 8.142 8.142 8.448 -0.306 25776 15228 1 20 . 1 1 42 42 ASP N N 42 123.005 123.005 120.477 2.528 25776 15229 1 20 . 1 1 42 42 ASP C C 42 176.578 176.578 175.524 1.054 25776 15230 1 20 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.433 1.006 25776 15231 1 20 . 1 1 42 42 ASP CB C 42 42.404 42.404 42.453 -0.049 25776 15232 1 20 . 1 1 42 42 ASP H H 42 8.433 8.433 8.035 0.398 25776 15233 1 20 . 1 1 43 43 THR C C 43 176.244 176.244 174.524 1.720 25776 15234 1 20 . 1 1 43 43 THR CA C 43 62.772 62.772 62.345 0.427 25776 15235 1 20 . 1 1 43 43 THR CB C 43 71.018 71.018 69.754 1.264 25776 15236 1 20 . 1 1 44 44 GLN N N 44 123.824 123.824 122.503 1.321 25776 15237 1 20 . 1 1 44 44 GLN C C 44 177.061 177.061 173.804 3.257 25776 15238 1 20 . 1 1 44 44 GLN CA C 44 57.279 57.279 54.910 2.369 25776 15239 1 20 . 1 1 44 44 GLN CB C 44 33.662 33.662 29.890 3.772 25776 15240 1 20 . 1 1 44 44 GLN H H 44 8.270 8.270 8.184 0.086 25776 15241 1 20 . 1 1 45 45 LEU N N 45 122.159 122.159 125.508 -3.349 25776 15242 1 20 . 1 1 45 45 LEU C C 45 176.419 176.419 176.475 -0.056 25776 15243 1 20 . 1 1 45 45 LEU CA C 45 56.118 56.118 53.422 2.696 25776 15244 1 20 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.657 -1.036 25776 15245 1 20 . 1 1 45 45 LEU H H 45 7.940 7.940 8.506 -0.566 25776 15246 1 20 . 1 1 46 46 GLY N N 46 107.861 107.861 109.156 -1.295 25776 15247 1 20 . 1 1 46 46 GLY C C 46 171.538 171.538 172.304 -0.766 25776 15248 1 20 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.225 0.550 25776 15249 1 20 . 1 1 46 46 GLY H H 46 8.566 8.566 8.131 0.435 25776 15250 1 20 . 1 1 47 47 LEU N N 47 122.959 122.959 125.890 -2.931 25776 15251 1 20 . 1 1 47 47 LEU C C 47 175.422 175.422 175.737 -0.315 25776 15252 1 20 . 1 1 47 47 LEU CA C 47 54.331 54.331 53.947 0.385 25776 15253 1 20 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.301 2.042 25776 15254 1 20 . 1 1 47 47 LEU H H 47 8.457 8.457 7.909 0.548 25776 15255 1 20 . 1 1 48 48 THR N N 48 112.144 112.144 116.055 -3.911 25776 15256 1 20 . 1 1 48 48 THR C C 48 172.347 172.347 173.675 -1.328 25776 15257 1 20 . 1 1 48 48 THR CA C 48 59.573 59.573 59.956 -0.383 25776 15258 1 20 . 1 1 48 48 THR CB C 48 72.843 72.843 71.851 0.992 25776 15259 1 20 . 1 1 48 48 THR H H 48 8.814 8.814 8.492 0.322 25776 15260 1 20 . 1 1 49 49 PHE N N 49 118.787 118.787 122.122 -3.335 25776 15261 1 20 . 1 1 49 49 PHE C C 49 174.623 174.623 174.184 0.439 25776 15262 1 20 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.044 -1.307 25776 15263 1 20 . 1 1 49 49 PHE CB C 49 42.986 42.986 42.609 0.377 25776 15264 1 20 . 1 1 49 49 PHE H H 49 8.455 8.455 8.392 0.063 25776 15265 1 20 . 1 1 50 50 THR N N 50 121.279 121.279 123.117 -1.838 25776 15266 1 20 . 1 1 50 50 THR C C 50 173.272 173.272 173.474 -0.202 25776 15267 1 20 . 1 1 50 50 THR CA C 50 63.315 63.315 60.892 2.424 25776 15268 1 20 . 1 1 50 50 THR CB C 50 74.327 74.327 70.569 3.758 25776 15269 1 20 . 1 1 50 50 THR H H 50 9.372 9.372 9.313 0.059 25776 15270 1 20 . 1 1 51 51 TYR N N 51 126.005 126.005 125.602 0.403 25776 15271 1 20 . 1 1 51 51 TYR C C 51 174.837 174.837 175.268 -0.431 25776 15272 1 20 . 1 1 51 51 TYR CA C 51 56.860 56.860 57.313 -0.453 25776 15273 1 20 . 1 1 51 51 TYR CB C 51 42.447 42.447 40.577 1.870 25776 15274 1 20 . 1 1 51 51 TYR H H 51 9.157 9.157 8.558 0.599 25776 15275 1 20 . 1 1 52 52 MET N N 52 127.601 127.601 124.552 3.049 25776 15276 1 20 . 1 1 52 52 MET C C 52 174.466 174.466 175.246 -0.780 25776 15277 1 20 . 1 1 52 52 MET CA C 52 53.171 53.171 56.527 -3.356 25776 15278 1 20 . 1 1 52 52 MET CB C 52 29.467 29.467 33.394 -3.927 25776 15279 1 20 . 1 1 52 52 MET H H 52 7.998 7.998 9.016 -1.018 25776 15280 1 20 . 1 1 53 53 PHE N N 53 123.918 123.918 125.006 -1.088 25776 15281 1 20 . 1 1 53 53 PHE C C 53 173.685 173.685 174.301 -0.616 25776 15282 1 20 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.522 1.092 25776 15283 1 20 . 1 1 53 53 PHE CB C 53 40.111 40.111 43.328 -3.217 25776 15284 1 20 . 1 1 53 53 PHE H H 53 7.762 7.762 9.591 -1.829 25776 15285 1 20 . 1 1 54 54 ALA N N 54 125.892 125.892 123.840 2.052 25776 15286 1 20 . 1 1 54 54 ALA C C 54 174.976 174.976 177.976 -3.000 25776 15287 1 20 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.922 -2.479 25776 15288 1 20 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.908 4.626 25776 15289 1 20 . 1 1 54 54 ALA H H 54 8.396 8.396 8.509 -0.113 25776 15290 1 20 . 1 1 55 55 ASP N N 55 118.951 118.951 117.234 1.717 25776 15291 1 20 . 1 1 55 55 ASP C C 55 174.777 174.777 175.565 -0.788 25776 15292 1 20 . 1 1 55 55 ASP CA C 55 59.139 59.139 57.264 1.875 25776 15293 1 20 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.198 0.750 25776 15294 1 20 . 1 1 55 55 ASP H H 55 8.632 8.632 8.841 -0.209 25776 15295 1 20 . 1 1 56 56 LYS N N 56 106.363 106.363 114.007 -7.644 25776 15296 1 20 . 1 1 56 56 LYS C C 56 174.930 174.930 174.473 0.457 25776 15297 1 20 . 1 1 56 56 LYS CA C 56 55.870 55.870 55.812 0.058 25776 15298 1 20 . 1 1 56 56 LYS CB C 56 35.437 35.437 30.755 4.683 25776 15299 1 20 . 1 1 56 56 LYS H H 56 7.300 7.300 8.259 -0.959 25776 15300 1 20 . 1 1 57 57 TRP N N 57 115.784 115.784 123.520 -7.736 25776 15301 1 20 . 1 1 57 57 TRP C C 57 173.960 173.960 175.399 -1.439 25776 15302 1 20 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.383 -1.426 25776 15303 1 20 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.760 2.416 25776 15304 1 20 . 1 1 57 57 TRP H H 57 6.612 6.612 8.081 -1.469 25776 15305 1 20 . 1 1 58 58 GLY N N 58 107.657 107.657 111.595 -3.938 25776 15306 1 20 . 1 1 58 58 GLY C C 58 172.720 172.720 172.205 0.515 25776 15307 1 20 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.062 0.722 25776 15308 1 20 . 1 1 58 58 GLY H H 58 9.271 9.271 9.228 0.043 25776 15309 1 20 . 1 1 59 59 VAL N N 59 118.434 118.434 126.784 -8.350 25776 15310 1 20 . 1 1 59 59 VAL C C 59 172.973 172.973 175.084 -2.111 25776 15311 1 20 . 1 1 59 59 VAL CA C 59 60.638 60.638 61.956 -1.317 25776 15312 1 20 . 1 1 59 59 VAL CB C 59 36.036 36.036 32.831 3.205 25776 15313 1 20 . 1 1 59 59 VAL H H 59 9.080 9.080 8.315 0.765 25776 15314 1 20 . 1 1 60 60 GLU N N 60 127.915 127.915 128.219 -0.304 25776 15315 1 20 . 1 1 60 60 GLU C C 60 174.464 174.464 175.279 -0.815 25776 15316 1 20 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.205 -0.454 25776 15317 1 20 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.276 2.766 25776 15318 1 20 . 1 1 60 60 GLU H H 60 9.431 9.431 9.236 0.195 25776 15319 1 20 . 1 1 61 61 LEU N N 61 127.764 127.764 124.821 2.943 25776 15320 1 20 . 1 1 61 61 LEU C C 61 174.746 174.746 175.435 -0.689 25776 15321 1 20 . 1 1 61 61 LEU CA C 61 53.991 53.991 54.192 -0.201 25776 15322 1 20 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.065 1.815 25776 15323 1 20 . 1 1 61 61 LEU H H 61 8.730 8.730 8.258 0.472 25776 15324 1 20 . 1 1 62 62 VAL N N 62 126.465 126.465 123.417 3.048 25776 15325 1 20 . 1 1 62 62 VAL C C 62 174.453 174.453 174.971 -0.518 25776 15326 1 20 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.163 1.122 25776 15327 1 20 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.500 2.586 25776 15328 1 20 . 1 1 62 62 VAL H H 62 9.068 9.068 8.838 0.230 25776 15329 1 20 . 1 1 63 63 ALA N N 63 130.444 130.444 127.842 2.602 25776 15330 1 20 . 1 1 63 63 ALA C C 63 174.030 174.030 174.944 -0.914 25776 15331 1 20 . 1 1 63 63 ALA CA C 63 51.250 51.250 52.222 -0.972 25776 15332 1 20 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.100 1.403 25776 15333 1 20 . 1 1 63 63 ALA H H 63 9.124 9.124 8.876 0.248 25776 15334 1 20 . 1 1 64 64 ALA N N 64 121.285 121.285 124.308 -3.023 25776 15335 1 20 . 1 1 64 64 ALA C C 64 176.843 176.843 176.635 0.208 25776 15336 1 20 . 1 1 64 64 ALA CA C 64 52.170 52.170 50.782 1.388 25776 15337 1 20 . 1 1 64 64 ALA CB C 64 23.172 23.172 21.865 1.307 25776 15338 1 20 . 1 1 64 64 ALA H H 64 7.995 7.995 8.296 -0.301 25776 15339 1 20 . 1 1 65 65 THR N N 65 109.734 109.734 116.770 -7.036 25776 15340 1 20 . 1 1 65 65 THR C C 65 176.739 176.739 174.286 2.453 25776 15341 1 20 . 1 1 65 65 THR CA C 65 61.660 61.660 59.006 2.654 25776 15342 1 20 . 1 1 65 65 THR CB C 65 68.341 68.341 69.738 -1.397 25776 15343 1 20 . 1 1 65 65 THR H H 65 8.108 8.108 8.512 -0.404 25776 15344 1 20 . 1 1 67 67 PHE N N 67 123.676 123.676 118.312 5.364 25776 15345 1 20 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.808 -0.959 25776 15346 1 20 . 1 1 67 67 PHE H H 67 8.382 8.382 7.587 0.795 25776 15347 1 20 . 1 1 74 74 LYS C C 74 177.704 177.704 176.531 1.173 25776 15348 1 20 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.165 -0.137 25776 15349 1 20 . 1 1 74 74 LYS CB C 74 34.062 34.062 33.132 0.930 25776 15350 1 20 . 1 1 75 75 GLY N N 75 108.841 108.841 109.285 -0.444 25776 15351 1 20 . 1 1 75 75 GLY C C 75 174.405 174.405 172.522 1.883 25776 15352 1 20 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.531 2.181 25776 15353 1 20 . 1 1 75 75 GLY H H 75 8.069 8.069 8.039 0.030 25776 15354 1 20 . 1 1 76 76 LEU N N 76 120.093 120.093 122.116 -2.023 25776 15355 1 20 . 1 1 76 76 LEU C C 76 176.997 176.997 177.017 -0.020 25776 15356 1 20 . 1 1 76 76 LEU CA C 76 56.180 56.180 54.294 1.886 25776 15357 1 20 . 1 1 76 76 LEU CB C 76 45.997 45.997 44.623 1.373 25776 15358 1 20 . 1 1 76 76 LEU H H 76 7.623 7.623 8.851 -1.228 25776 15359 1 20 . 1 1 79 79 GLY C C 79 175.675 175.675 173.773 1.902 25776 15360 1 20 . 1 1 79 79 GLY CA C 79 47.099 47.099 44.767 2.332 25776 15361 1 20 . 1 1 80 80 LEU N N 80 130.062 130.062 120.654 9.408 25776 15362 1 20 . 1 1 80 80 LEU C C 80 176.062 176.062 175.987 0.075 25776 15363 1 20 . 1 1 80 80 LEU CA C 80 55.404 55.404 54.002 1.402 25776 15364 1 20 . 1 1 80 80 LEU CB C 80 43.006 43.006 44.574 -1.568 25776 15365 1 20 . 1 1 80 80 LEU H H 80 9.441 9.441 7.681 1.760 25776 15366 1 20 . 1 1 81 81 ASP N N 81 124.816 124.816 121.137 3.679 25776 15367 1 20 . 1 1 81 81 ASP C C 81 178.992 178.992 175.753 3.239 25776 15368 1 20 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.060 1.709 25776 15369 1 20 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.382 0.565 25776 15370 1 20 . 1 1 81 81 ASP H H 81 7.854 7.854 8.410 -0.556 25776 15371 1 20 . 1 1 91 91 PRO C C 91 175.297 175.297 176.086 -0.789 25776 15372 1 20 . 1 1 91 91 PRO CA C 91 61.833 61.833 63.115 -1.282 25776 15373 1 20 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.093 1.438 25776 15374 1 20 . 1 1 92 92 ALA N N 92 123.521 123.521 128.017 -4.496 25776 15375 1 20 . 1 1 92 92 ALA C C 92 175.643 175.643 176.815 -1.172 25776 15376 1 20 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.235 1.440 25776 15377 1 20 . 1 1 92 92 ALA CB C 92 22.725 22.725 20.505 2.220 25776 15378 1 20 . 1 1 92 92 ALA H H 92 8.829 8.829 8.110 0.719 25776 15379 1 20 . 1 1 93 93 THR N N 93 117.599 117.599 121.798 -4.199 25776 15380 1 20 . 1 1 93 93 THR C C 93 171.440 171.440 173.912 -2.472 25776 15381 1 20 . 1 1 93 93 THR CA C 93 62.066 62.066 61.666 0.400 25776 15382 1 20 . 1 1 93 93 THR CB C 93 72.352 72.352 69.476 2.876 25776 15383 1 20 . 1 1 93 93 THR H H 93 8.237 8.237 8.082 0.155 25776 15384 1 20 . 1 1 94 94 LEU N N 94 129.530 129.530 129.698 -0.168 25776 15385 1 20 . 1 1 94 94 LEU C C 94 174.995 174.995 175.364 -0.369 25776 15386 1 20 . 1 1 94 94 LEU CA C 94 54.194 54.194 54.438 -0.244 25776 15387 1 20 . 1 1 94 94 LEU CB C 94 47.165 47.165 42.257 4.908 25776 15388 1 20 . 1 1 94 94 LEU H H 94 8.732 8.732 8.410 0.322 25776 15389 1 20 . 1 1 95 95 LEU N N 95 124.181 124.181 122.592 1.589 25776 15390 1 20 . 1 1 95 95 LEU C C 95 175.270 175.270 175.173 0.097 25776 15391 1 20 . 1 1 95 95 LEU CA C 95 55.533 55.533 53.579 1.954 25776 15392 1 20 . 1 1 95 95 LEU CB C 95 46.672 46.672 45.234 1.438 25776 15393 1 20 . 1 1 95 95 LEU H H 95 9.485 9.485 8.837 0.648 25776 15394 1 20 . 1 1 96 96 LEU N N 96 123.444 123.444 121.523 1.921 25776 15395 1 20 . 1 1 96 96 LEU C C 96 174.997 174.997 175.413 -0.416 25776 15396 1 20 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.789 1.524 25776 15397 1 20 . 1 1 96 96 LEU CB C 96 45.148 45.148 44.440 0.709 25776 15398 1 20 . 1 1 96 96 LEU H H 96 8.836 8.836 9.124 -0.288 25776 15399 1 20 . 1 1 97 97 GLN N N 97 121.545 121.545 121.966 -0.421 25776 15400 1 20 . 1 1 97 97 GLN C C 97 174.324 174.324 174.053 0.271 25776 15401 1 20 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.001 1.387 25776 15402 1 20 . 1 1 97 97 GLN CB C 97 37.524 37.524 33.303 4.221 25776 15403 1 20 . 1 1 97 97 GLN H H 97 9.566 9.566 8.955 0.611 25776 15404 1 20 . 1 1 98 98 TYR N N 98 122.246 122.246 114.732 7.514 25776 15405 1 20 . 1 1 98 98 TYR C C 98 173.409 173.409 175.077 -1.668 25776 15406 1 20 . 1 1 98 98 TYR CA C 98 55.655 55.655 56.154 -0.499 25776 15407 1 20 . 1 1 98 98 TYR CB C 98 43.208 43.208 42.677 0.531 25776 15408 1 20 . 1 1 98 98 TYR H H 98 9.053 9.053 9.185 -0.132 25776 15409 1 20 . 1 1 99 99 TYR N N 99 126.872 126.872 119.038 7.834 25776 15410 1 20 . 1 1 99 99 TYR C C 99 175.310 175.310 173.919 1.391 25776 15411 1 20 . 1 1 99 99 TYR CA C 99 54.756 54.756 54.325 0.431 25776 15412 1 20 . 1 1 99 99 TYR CB C 99 39.635 39.635 39.011 0.624 25776 15413 1 20 . 1 1 99 99 TYR H H 99 8.344 8.344 7.919 0.425 25776 15414 1 20 . 1 1 100 100 PRO C C 100 178.304 178.304 177.319 0.985 25776 15415 1 20 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.127 1.283 25776 15416 1 20 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.343 0.764 25776 15417 1 20 . 1 1 101 101 MET N N 101 114.703 114.703 117.432 -2.729 25776 15418 1 20 . 1 1 101 101 MET C C 101 178.218 178.218 176.766 1.452 25776 15419 1 20 . 1 1 101 101 MET CA C 101 54.147 54.147 55.654 -1.507 25776 15420 1 20 . 1 1 101 101 MET CB C 101 30.956 30.956 32.471 -1.515 25776 15421 1 20 . 1 1 101 101 MET H H 101 9.432 9.432 8.167 1.265 25776 15422 1 20 . 1 1 102 102 GLY N N 102 117.671 117.671 105.448 12.223 25776 15423 1 20 . 1 1 102 102 GLY C C 102 175.611 175.611 174.136 1.475 25776 15424 1 20 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.224 2.228 25776 15425 1 20 . 1 1 102 102 GLY H H 102 8.671 8.671 7.939 0.732 25776 15426 1 20 . 1 1 103 103 GLY N N 103 111.298 111.298 110.438 0.860 25776 15427 1 20 . 1 1 103 103 GLY C C 103 174.054 174.054 173.379 0.675 25776 15428 1 20 . 1 1 103 103 GLY CA C 103 46.820 46.820 44.991 1.829 25776 15429 1 20 . 1 1 103 103 GLY H H 103 9.436 9.436 8.715 0.721 25776 15430 1 20 . 1 1 104 104 THR N N 104 109.330 109.330 110.953 -1.623 25776 15431 1 20 . 1 1 104 104 THR C C 104 174.248 174.248 173.440 0.808 25776 15432 1 20 . 1 1 104 104 THR CA C 104 61.454 61.454 60.839 0.615 25776 15433 1 20 . 1 1 104 104 THR CB C 104 72.711 72.711 70.273 2.438 25776 15434 1 20 . 1 1 104 104 THR H H 104 7.321 7.321 7.428 -0.107 25776 15435 1 20 . 1 1 105 105 ASN C C 105 175.032 175.032 174.782 0.250 25776 15436 1 20 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.333 0.080 25776 15437 1 20 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.683 0.160 25776 15438 1 20 . 1 1 106 106 SER N N 106 113.116 113.116 115.080 -1.964 25776 15439 1 20 . 1 1 106 106 SER C C 106 175.961 175.961 174.256 1.705 25776 15440 1 20 . 1 1 106 106 SER CA C 106 59.289 59.289 58.177 1.112 25776 15441 1 20 . 1 1 106 106 SER CB C 106 65.208 65.208 64.601 0.607 25776 15442 1 20 . 1 1 106 106 SER H H 106 7.487 7.487 7.874 -0.387 25776 15443 1 20 . 1 1 107 107 ALA N N 107 132.317 132.317 124.206 8.111 25776 15444 1 20 . 1 1 107 107 ALA C C 107 176.554 176.554 176.404 0.150 25776 15445 1 20 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.086 1.913 25776 15446 1 20 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.353 0.177 25776 15447 1 20 . 1 1 107 107 ALA H H 107 8.891 8.891 8.654 0.237 25776 15448 1 20 . 1 1 108 108 PHE N N 108 116.265 116.265 117.954 -1.689 25776 15449 1 20 . 1 1 108 108 PHE C C 108 174.254 174.254 175.122 -0.868 25776 15450 1 20 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.920 -0.256 25776 15451 1 20 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.064 2.171 25776 15452 1 20 . 1 1 108 108 PHE H H 108 7.592 7.592 8.078 -0.486 25776 15453 1 20 . 1 1 109 109 GLN N N 109 128.401 128.401 124.119 4.282 25776 15454 1 20 . 1 1 109 109 GLN C C 109 172.298 172.298 174.341 -2.043 25776 15455 1 20 . 1 1 109 109 GLN CA C 109 52.937 52.937 52.737 0.200 25776 15456 1 20 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.267 -0.287 25776 15457 1 20 . 1 1 109 109 GLN H H 109 9.095 9.095 8.308 0.787 25776 15458 1 20 . 1 1 110 110 PRO C C 110 175.005 175.005 175.971 -0.966 25776 15459 1 20 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.766 -0.542 25776 15460 1 20 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.732 1.397 25776 15461 1 20 . 1 1 111 111 TYR N N 111 115.731 115.731 114.896 0.835 25776 15462 1 20 . 1 1 111 111 TYR C C 111 173.783 173.783 173.544 0.239 25776 15463 1 20 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.847 0.225 25776 15464 1 20 . 1 1 111 111 TYR CB C 111 39.435 39.435 40.522 -1.087 25776 15465 1 20 . 1 1 111 111 TYR H H 111 8.510 8.510 8.096 0.414 25776 15466 1 20 . 1 1 112 112 GLY N N 112 103.737 103.737 106.989 -3.252 25776 15467 1 20 . 1 1 112 112 GLY C C 112 172.014 172.014 172.480 -0.466 25776 15468 1 20 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.304 0.340 25776 15469 1 20 . 1 1 112 112 GLY H H 112 8.149 8.149 8.848 -0.699 25776 15470 1 20 . 1 1 113 113 GLY N N 113 108.372 108.372 107.763 0.609 25776 15471 1 20 . 1 1 113 113 GLY C C 113 171.486 171.486 171.828 -0.342 25776 15472 1 20 . 1 1 113 113 GLY CA C 113 46.840 46.840 46.004 0.836 25776 15473 1 20 . 1 1 113 113 GLY H H 113 9.028 9.028 8.868 0.160 25776 15474 1 20 . 1 1 114 114 LEU N N 114 120.469 120.469 118.089 2.380 25776 15475 1 20 . 1 1 114 114 LEU C C 114 175.878 175.878 175.522 0.356 25776 15476 1 20 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.752 0.860 25776 15477 1 20 . 1 1 114 114 LEU CB C 114 48.977 48.977 46.476 2.501 25776 15478 1 20 . 1 1 114 114 LEU H H 114 8.741 8.741 7.927 0.814 25776 15479 1 20 . 1 1 115 115 GLY N N 115 111.145 111.145 106.211 4.934 25776 15480 1 20 . 1 1 115 115 GLY C C 115 171.336 171.336 172.318 -0.982 25776 15481 1 20 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.036 2.819 25776 15482 1 20 . 1 1 115 115 GLY H H 115 8.952 8.952 8.744 0.208 25776 15483 1 20 . 1 1 116 116 VAL N N 116 118.641 118.641 113.345 5.296 25776 15484 1 20 . 1 1 116 116 VAL C C 116 172.617 172.617 173.339 -0.722 25776 15485 1 20 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.864 0.852 25776 15486 1 20 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.605 1.767 25776 15487 1 20 . 1 1 116 116 VAL H H 116 8.844 8.844 8.842 0.002 25776 15488 1 20 . 1 1 117 117 ASN N N 117 123.839 123.839 120.096 3.743 25776 15489 1 20 . 1 1 117 117 ASN C C 117 171.105 171.105 173.422 -2.317 25776 15490 1 20 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.419 0.523 25776 15491 1 20 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.215 3.363 25776 15492 1 20 . 1 1 117 117 ASN H H 117 9.647 9.647 7.939 1.708 25776 15493 1 20 . 1 1 118 118 TYR N N 118 125.160 125.160 128.138 -2.978 25776 15494 1 20 . 1 1 118 118 TYR C C 118 174.349 174.349 174.104 0.245 25776 15495 1 20 . 1 1 118 118 TYR CA C 118 56.557 56.557 55.779 0.778 25776 15496 1 20 . 1 1 118 118 TYR CB C 118 42.564 42.564 42.842 -0.278 25776 15497 1 20 . 1 1 118 118 TYR H H 118 8.989 8.989 8.097 0.892 25776 15498 1 20 . 1 1 119 119 THR N N 119 124.319 124.319 118.097 6.222 25776 15499 1 20 . 1 1 119 119 THR C C 119 171.231 171.231 174.292 -3.061 25776 15500 1 20 . 1 1 119 119 THR CA C 119 62.951 62.951 60.348 2.603 25776 15501 1 20 . 1 1 119 119 THR CB C 119 72.427 72.427 69.933 2.494 25776 15502 1 20 . 1 1 119 119 THR H H 119 8.806 8.806 8.186 0.620 25776 15503 1 20 . 1 1 120 120 THR N N 120 119.978 119.978 118.417 1.561 25776 15504 1 20 . 1 1 120 120 THR C C 120 171.174 171.174 173.625 -2.451 25776 15505 1 20 . 1 1 120 120 THR CA C 120 59.197 59.197 61.228 -2.031 25776 15506 1 20 . 1 1 120 120 THR CB C 120 72.088 72.088 68.553 3.535 25776 15507 1 20 . 1 1 120 120 THR H H 120 7.559 7.559 8.266 -0.707 25776 15508 1 20 . 1 1 121 121 PHE C C 121 175.289 175.289 175.254 0.035 25776 15509 1 20 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.916 2.453 25776 15510 1 20 . 1 1 122 122 PHE N N 122 117.578 117.578 122.954 -5.376 25776 15511 1 20 . 1 1 122 122 PHE C C 122 172.555 172.555 175.705 -3.150 25776 15512 1 20 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.869 -0.985 25776 15513 1 20 . 1 1 122 122 PHE CB C 122 40.231 40.231 39.839 0.392 25776 15514 1 20 . 1 1 122 122 PHE H H 122 8.541 8.541 8.829 -0.288 25776 15515 1 20 . 1 1 123 123 ASP N N 123 116.448 116.448 121.079 -4.631 25776 15516 1 20 . 1 1 123 123 ASP C C 123 175.240 175.240 176.284 -1.044 25776 15517 1 20 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.064 1.770 25776 15518 1 20 . 1 1 123 123 ASP CB C 123 39.844 39.844 43.042 -3.198 25776 15519 1 20 . 1 1 123 123 ASP H H 123 8.940 8.940 8.489 0.451 25776 15520 1 20 . 1 1 124 124 GLU C C 124 177.545 177.545 175.540 2.005 25776 15521 1 20 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.797 3.092 25776 15522 1 20 . 1 1 124 124 GLU CB C 124 29.458 29.458 32.493 -3.035 25776 15523 1 20 . 1 1 125 125 ASP N N 125 126.424 126.424 123.730 2.694 25776 15524 1 20 . 1 1 125 125 ASP C C 125 176.191 176.191 177.460 -1.269 25776 15525 1 20 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.688 -0.677 25776 15526 1 20 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.329 2.220 25776 15527 1 20 . 1 1 125 125 ASP H H 125 9.100 9.100 8.652 0.448 25776 15528 1 20 . 1 1 126 126 LEU N N 126 127.990 127.990 119.856 8.134 25776 15529 1 20 . 1 1 126 126 LEU C C 126 175.808 175.808 177.061 -1.253 25776 15530 1 20 . 1 1 126 126 LEU CA C 126 56.268 56.268 55.691 0.577 25776 15531 1 20 . 1 1 126 126 LEU CB C 126 44.856 44.856 41.209 3.647 25776 15532 1 20 . 1 1 126 126 LEU H H 126 8.570 8.570 7.941 0.629 25776 15533 1 20 . 1 1 127 127 ALA N N 127 124.126 124.126 120.688 3.438 25776 15534 1 20 . 1 1 127 127 ALA C C 127 179.833 179.833 177.777 2.056 25776 15535 1 20 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.291 0.430 25776 15536 1 20 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.571 0.488 25776 15537 1 20 . 1 1 127 127 ALA H H 127 7.885 7.885 7.707 0.178 25776 15538 1 20 . 1 1 129 129 ASN C C 129 176.927 176.927 177.156 -0.229 25776 15539 1 20 . 1 1 129 129 ASN CB C 129 37.473 37.473 38.701 -1.228 25776 15540 1 20 . 1 1 130 130 ARG N N 130 117.748 117.748 120.662 -2.914 25776 15541 1 20 . 1 1 130 130 ARG C C 130 179.430 179.430 178.800 0.630 25776 15542 1 20 . 1 1 130 130 ARG CA C 130 56.843 56.843 59.463 -2.620 25776 15543 1 20 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.289 0.037 25776 15544 1 20 . 1 1 130 130 ARG H H 130 7.435 7.435 8.489 -1.054 25776 15545 1 20 . 1 1 131 131 LYS N N 131 122.261 122.261 118.442 3.819 25776 15546 1 20 . 1 1 131 131 LYS C C 131 180.937 180.937 178.552 2.385 25776 15547 1 20 . 1 1 131 131 LYS CA C 131 60.461 60.461 59.302 1.159 25776 15548 1 20 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.827 1.084 25776 15549 1 20 . 1 1 131 131 LYS H H 131 7.945 7.945 8.669 -0.724 25776 15550 1 20 . 1 1 132 132 ALA N N 132 122.083 122.083 121.662 0.421 25776 15551 1 20 . 1 1 132 132 ALA C C 132 178.748 178.748 179.469 -0.721 25776 15552 1 20 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.367 1.002 25776 15553 1 20 . 1 1 132 132 ALA CB C 132 19.129 19.129 17.951 1.179 25776 15554 1 20 . 1 1 132 132 ALA H H 132 7.770 7.770 7.961 -0.191 25776 15555 1 20 . 1 1 133 133 GLN N N 133 116.102 116.102 117.172 -1.070 25776 15556 1 20 . 1 1 133 133 GLN C C 133 175.525 175.525 177.332 -1.807 25776 15557 1 20 . 1 1 133 133 GLN CA C 133 57.098 57.098 57.030 0.068 25776 15558 1 20 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.264 1.091 25776 15559 1 20 . 1 1 133 133 GLN H H 133 7.302 7.302 7.835 -0.533 25776 15560 1 20 . 1 1 134 134 GLY N N 134 104.444 104.444 109.168 -4.724 25776 15561 1 20 . 1 1 134 134 GLY C C 134 174.460 174.460 174.093 0.367 25776 15562 1 20 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.256 0.626 25776 15563 1 20 . 1 1 134 134 GLY H H 134 7.596 7.596 7.925 -0.329 25776 15564 1 20 . 1 1 135 135 PHE N N 135 119.775 119.775 117.667 2.108 25776 15565 1 20 . 1 1 135 135 PHE C C 135 174.922 174.922 175.419 -0.497 25776 15566 1 20 . 1 1 135 135 PHE CA C 135 58.894 58.894 54.962 3.932 25776 15567 1 20 . 1 1 135 135 PHE CB C 135 40.291 40.291 39.842 0.449 25776 15568 1 20 . 1 1 135 135 PHE H H 135 7.737 7.737 7.463 0.274 25776 15569 1 20 . 1 1 136 136 SER N N 136 115.673 115.673 115.604 0.069 25776 15570 1 20 . 1 1 136 136 SER C C 136 174.415 174.415 174.444 -0.029 25776 15571 1 20 . 1 1 136 136 SER CA C 136 59.679 59.679 60.463 -0.784 25776 15572 1 20 . 1 1 136 136 SER CB C 136 66.246 66.246 63.415 2.831 25776 15573 1 20 . 1 1 136 136 SER H H 136 8.862 8.862 8.816 0.046 25776 15574 1 20 . 1 1 137 137 SER N N 137 114.341 114.341 113.152 1.189 25776 15575 1 20 . 1 1 137 137 SER C C 137 172.164 172.164 173.787 -1.623 25776 15576 1 20 . 1 1 137 137 SER CA C 137 58.955 58.955 58.222 0.733 25776 15577 1 20 . 1 1 137 137 SER CB C 137 65.592 65.592 64.263 1.329 25776 15578 1 20 . 1 1 137 137 SER H H 137 7.912 7.912 8.043 -0.131 25776 15579 1 20 . 1 1 138 138 MET N N 138 120.555 120.555 122.695 -2.140 25776 15580 1 20 . 1 1 138 138 MET C C 138 173.189 173.189 175.357 -2.168 25776 15581 1 20 . 1 1 138 138 MET CA C 138 55.879 55.879 56.596 -0.717 25776 15582 1 20 . 1 1 138 138 MET CB C 138 36.962 36.962 32.918 4.044 25776 15583 1 20 . 1 1 138 138 MET H H 138 8.461 8.461 8.774 -0.313 25776 15584 1 20 . 1 1 141 141 GLN C C 141 176.182 176.182 174.476 1.706 25776 15585 1 20 . 1 1 141 141 GLN CB C 141 31.435 31.435 28.253 3.182 25776 15586 1 20 . 1 1 142 142 ASP N N 142 124.414 124.414 121.601 2.813 25776 15587 1 20 . 1 1 142 142 ASP C C 142 175.702 175.702 175.944 -0.242 25776 15588 1 20 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.522 1.785 25776 15589 1 20 . 1 1 142 142 ASP CB C 142 41.738 41.738 42.115 -0.377 25776 15590 1 20 . 1 1 142 142 ASP H H 142 8.728 8.728 8.588 0.140 25776 15591 1 20 . 1 1 143 143 SER N N 143 114.920 114.920 118.699 -3.779 25776 15592 1 20 . 1 1 143 143 SER C C 143 172.289 172.289 173.046 -0.757 25776 15593 1 20 . 1 1 143 143 SER CA C 143 57.652 57.652 58.997 -1.345 25776 15594 1 20 . 1 1 143 143 SER CB C 143 66.215 66.215 63.141 3.074 25776 15595 1 20 . 1 1 143 143 SER H H 143 8.703 8.703 8.301 0.402 25776 15596 1 20 . 1 1 144 144 TRP N N 144 126.444 126.444 128.924 -2.480 25776 15597 1 20 . 1 1 144 144 TRP C C 144 177.307 177.307 174.588 2.719 25776 15598 1 20 . 1 1 144 144 TRP CA C 144 56.875 56.875 57.274 -0.399 25776 15599 1 20 . 1 1 144 144 TRP CB C 144 33.364 33.364 32.558 0.806 25776 15600 1 20 . 1 1 144 144 TRP H H 144 8.101 8.101 7.824 0.277 25776 15601 1 20 . 1 1 145 145 GLY N N 145 108.757 108.757 112.666 -3.909 25776 15602 1 20 . 1 1 145 145 GLY C C 145 171.985 171.985 171.779 0.206 25776 15603 1 20 . 1 1 145 145 GLY CA C 145 46.548 46.548 43.600 2.948 25776 15604 1 20 . 1 1 145 145 GLY H H 145 8.889 8.889 7.592 1.297 25776 15605 1 20 . 1 1 146 146 LEU N N 146 121.579 121.579 115.760 5.819 25776 15606 1 20 . 1 1 146 146 LEU C C 146 174.909 174.909 175.203 -0.294 25776 15607 1 20 . 1 1 146 146 LEU CA C 146 56.175 56.175 52.816 3.358 25776 15608 1 20 . 1 1 146 146 LEU CB C 146 45.163 45.163 45.221 -0.058 25776 15609 1 20 . 1 1 146 146 LEU H H 146 9.035 9.035 8.112 0.923 25776 15610 1 20 . 1 1 147 147 ALA N N 147 121.342 121.342 123.044 -1.702 25776 15611 1 20 . 1 1 147 147 ALA C C 147 175.588 175.588 176.696 -1.108 25776 15612 1 20 . 1 1 147 147 ALA CA C 147 50.934 50.934 49.854 1.080 25776 15613 1 20 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.785 2.320 25776 15614 1 20 . 1 1 147 147 ALA H H 147 8.123 8.123 8.406 -0.283 25776 15615 1 20 . 1 1 148 148 GLY N N 148 106.598 106.598 107.037 -0.439 25776 15616 1 20 . 1 1 148 148 GLY C C 148 171.829 171.829 172.378 -0.549 25776 15617 1 20 . 1 1 148 148 GLY CA C 148 44.748 44.748 43.802 0.946 25776 15618 1 20 . 1 1 148 148 GLY H H 148 9.216 9.216 8.378 0.838 25776 15619 1 20 . 1 1 149 149 GLU N N 149 122.775 122.775 121.426 1.349 25776 15620 1 20 . 1 1 149 149 GLU C C 149 174.078 174.078 174.408 -0.330 25776 15621 1 20 . 1 1 149 149 GLU CA C 149 55.802 55.802 56.194 -0.392 25776 15622 1 20 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.738 4.677 25776 15623 1 20 . 1 1 149 149 GLU H H 149 8.493 8.493 8.628 -0.135 25776 15624 1 20 . 1 1 150 150 LEU N N 150 126.310 126.310 126.273 0.037 25776 15625 1 20 . 1 1 150 150 LEU C C 150 174.309 174.309 174.853 -0.544 25776 15626 1 20 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.338 0.604 25776 15627 1 20 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.823 2.668 25776 15628 1 20 . 1 1 150 150 LEU H H 150 8.580 8.580 8.101 0.479 25776 15629 1 20 . 1 1 151 151 GLY N N 151 109.909 109.909 111.089 -1.180 25776 15630 1 20 . 1 1 151 151 GLY C C 151 170.538 170.538 171.667 -1.129 25776 15631 1 20 . 1 1 151 151 GLY CA C 151 46.620 46.620 46.046 0.574 25776 15632 1 20 . 1 1 151 151 GLY H H 151 8.115 8.115 8.233 -0.118 25776 15633 1 20 . 1 1 152 152 PHE N N 152 111.012 111.012 114.541 -3.529 25776 15634 1 20 . 1 1 152 152 PHE C C 152 171.455 171.455 173.266 -1.811 25776 15635 1 20 . 1 1 152 152 PHE CA C 152 58.712 58.712 55.970 2.742 25776 15636 1 20 . 1 1 152 152 PHE CB C 152 42.495 42.495 41.723 0.772 25776 15637 1 20 . 1 1 152 152 PHE H H 152 8.365 8.365 8.495 -0.130 25776 15638 1 20 . 1 1 153 153 ASP N N 153 119.057 119.057 119.860 -0.803 25776 15639 1 20 . 1 1 153 153 ASP C C 153 176.522 176.522 174.881 1.641 25776 15640 1 20 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.890 -0.424 25776 15641 1 20 . 1 1 153 153 ASP CB C 153 45.097 45.097 44.559 0.538 25776 15642 1 20 . 1 1 153 153 ASP H H 153 8.014 8.014 8.495 -0.481 25776 15643 1 20 . 1 1 154 154 TYR N N 154 123.640 123.640 123.416 0.224 25776 15644 1 20 . 1 1 154 154 TYR C C 154 175.593 175.593 174.855 0.738 25776 15645 1 20 . 1 1 154 154 TYR CA C 154 57.888 57.888 57.322 0.566 25776 15646 1 20 . 1 1 154 154 TYR CB C 154 42.822 42.822 39.260 3.562 25776 15647 1 20 . 1 1 154 154 TYR H H 154 9.744 9.744 8.970 0.774 25776 15648 1 20 . 1 1 155 155 MET N N 155 126.409 126.409 121.202 5.207 25776 15649 1 20 . 1 1 155 155 MET C C 155 174.938 174.938 174.994 -0.056 25776 15650 1 20 . 1 1 155 155 MET CA C 155 55.410 55.410 55.559 -0.149 25776 15651 1 20 . 1 1 155 155 MET CB C 155 29.170 29.170 33.469 -4.299 25776 15652 1 20 . 1 1 155 155 MET H H 155 8.659 8.659 7.956 0.703 25776 15653 1 20 . 1 1 156 156 LEU N N 156 125.396 125.396 124.765 0.631 25776 15654 1 20 . 1 1 156 156 LEU C C 156 177.567 177.567 177.806 -0.239 25776 15655 1 20 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.084 1.489 25776 15656 1 20 . 1 1 156 156 LEU CB C 156 43.912 43.912 43.374 0.538 25776 15657 1 20 . 1 1 156 156 LEU H H 156 9.232 9.232 8.426 0.806 25776 15658 1 20 . 1 1 157 157 ASN N N 157 114.903 114.903 116.382 -1.479 25776 15659 1 20 . 1 1 157 157 ASN C C 157 173.568 173.568 175.999 -2.431 25776 15660 1 20 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.663 -1.471 25776 15661 1 20 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.377 0.534 25776 15662 1 20 . 1 1 157 157 ASN H H 157 8.099 8.099 8.085 0.014 25776 15663 1 20 . 1 1 158 158 GLU N N 158 114.724 114.724 118.259 -3.535 25776 15664 1 20 . 1 1 158 158 GLU C C 158 176.032 176.032 177.574 -1.542 25776 15665 1 20 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.028 2.650 25776 15666 1 20 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.233 0.282 25776 15667 1 20 . 1 1 158 158 GLU H H 158 8.625 8.625 8.696 -0.071 25776 15668 1 20 . 1 1 159 159 HIS N N 159 111.022 111.022 115.720 -4.698 25776 15669 1 20 . 1 1 159 159 HIS C C 159 173.158 173.158 174.324 -1.166 25776 15670 1 20 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.322 1.114 25776 15671 1 20 . 1 1 159 159 HIS CB C 159 33.392 33.392 31.767 1.625 25776 15672 1 20 . 1 1 159 159 HIS H H 159 8.201 8.201 8.187 0.014 25776 15673 1 20 . 1 1 160 160 ALA N N 160 122.967 122.967 119.998 2.969 25776 15674 1 20 . 1 1 160 160 ALA C C 160 176.212 176.212 174.695 1.517 25776 15675 1 20 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.835 0.487 25776 15676 1 20 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.618 1.808 25776 15677 1 20 . 1 1 160 160 ALA H H 160 8.389 8.389 7.626 0.763 25776 15678 1 20 . 1 1 161 161 LEU N N 161 116.648 116.648 114.677 1.971 25776 15679 1 20 . 1 1 161 161 LEU C C 161 174.922 174.922 175.002 -0.080 25776 15680 1 20 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.654 1.231 25776 15681 1 20 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.395 2.099 25776 15682 1 20 . 1 1 161 161 LEU H H 161 8.616 8.616 8.611 0.005 25776 15683 1 20 . 1 1 162 162 PHE N N 162 121.938 121.938 117.925 4.013 25776 15684 1 20 . 1 1 162 162 PHE C C 162 171.989 171.989 174.784 -2.795 25776 15685 1 20 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.903 0.115 25776 15686 1 20 . 1 1 162 162 PHE CB C 162 44.089 44.089 43.276 0.813 25776 15687 1 20 . 1 1 162 162 PHE H H 162 9.221 9.221 8.451 0.770 25776 15688 1 20 . 1 1 163 163 ASN N N 163 127.932 127.932 122.084 5.848 25776 15689 1 20 . 1 1 163 163 ASN C C 163 171.357 171.357 173.926 -2.569 25776 15690 1 20 . 1 1 163 163 ASN CA C 163 52.949 52.949 53.133 -0.184 25776 15691 1 20 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.205 5.835 25776 15692 1 20 . 1 1 163 163 ASN H H 163 7.735 7.735 8.491 -0.756 25776 15693 1 20 . 1 1 164 164 MET N N 164 120.121 120.121 122.958 -2.837 25776 15694 1 20 . 1 1 164 164 MET C C 164 172.837 172.837 173.746 -0.909 25776 15695 1 20 . 1 1 164 164 MET CA C 164 55.914 55.914 54.579 1.335 25776 15696 1 20 . 1 1 164 164 MET CB C 164 38.643 38.643 35.611 3.032 25776 15697 1 20 . 1 1 164 164 MET H H 164 7.092 7.092 9.217 -2.125 25776 15698 1 20 . 1 1 165 165 ALA N N 165 120.745 120.745 125.007 -4.262 25776 15699 1 20 . 1 1 165 165 ALA C C 165 174.047 174.047 174.051 -0.004 25776 15700 1 20 . 1 1 165 165 ALA CA C 165 52.414 52.414 50.727 1.687 25776 15701 1 20 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.681 0.462 25776 15702 1 20 . 1 1 165 165 ALA H H 165 8.370 8.370 8.630 -0.260 25776 15703 1 20 . 1 1 166 166 VAL N N 166 118.385 118.385 117.516 0.869 25776 15704 1 20 . 1 1 166 166 VAL C C 166 172.556 172.556 173.882 -1.326 25776 15705 1 20 . 1 1 166 166 VAL CA C 166 60.628 60.628 60.392 0.236 25776 15706 1 20 . 1 1 166 166 VAL CB C 166 36.127 36.127 34.581 1.546 25776 15707 1 20 . 1 1 166 166 VAL H H 166 8.723 8.723 8.437 0.286 25776 15708 1 20 . 1 1 167 167 TRP N N 167 123.258 123.258 129.752 -6.494 25776 15709 1 20 . 1 1 167 167 TRP C C 167 174.016 174.016 174.572 -0.556 25776 15710 1 20 . 1 1 167 167 TRP CA C 167 57.604 57.604 54.654 2.950 25776 15711 1 20 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.068 3.591 25776 15712 1 20 . 1 1 167 167 TRP H H 167 9.312 9.312 8.364 0.948 25776 15713 1 20 . 1 1 168 168 TYR N N 168 121.455 121.455 126.707 -5.252 25776 15714 1 20 . 1 1 168 168 TYR C C 168 175.110 175.110 176.982 -1.872 25776 15715 1 20 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.765 -0.579 25776 15716 1 20 . 1 1 168 168 TYR CB C 168 42.440 42.440 39.449 2.991 25776 15717 1 20 . 1 1 168 168 TYR H H 168 8.398 8.398 8.794 -0.396 25776 15718 1 20 . 1 1 169 169 MET N N 169 124.800 124.800 121.226 3.574 25776 15719 1 20 . 1 1 169 169 MET C C 169 172.688 172.688 175.597 -2.909 25776 15720 1 20 . 1 1 169 169 MET CA C 169 55.640 55.640 55.902 -0.262 25776 15721 1 20 . 1 1 169 169 MET CB C 169 34.143 34.143 33.049 1.094 25776 15722 1 20 . 1 1 169 169 MET H H 169 8.131 8.131 8.353 -0.222 25776 15723 1 20 . 1 1 170 170 ASP N N 170 122.780 122.780 120.031 2.749 25776 15724 1 20 . 1 1 170 170 ASP C C 170 174.864 174.864 176.134 -1.270 25776 15725 1 20 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.146 1.737 25776 15726 1 20 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.723 -1.045 25776 15727 1 20 . 1 1 170 170 ASP H H 170 8.191 8.191 8.269 -0.078 25776 15728 1 20 . 1 1 171 171 ILE N N 171 127.252 127.252 120.837 6.415 25776 15729 1 20 . 1 1 171 171 ILE C C 171 174.476 174.476 175.422 -0.946 25776 15730 1 20 . 1 1 171 171 ILE CA C 171 60.943 60.943 61.527 -0.584 25776 15731 1 20 . 1 1 171 171 ILE CB C 171 40.521 40.521 38.648 1.873 25776 15732 1 20 . 1 1 171 171 ILE H H 171 7.805 7.805 8.196 -0.391 25776 15733 1 20 . 1 1 172 172 ASP N N 172 129.369 129.369 126.215 3.154 25776 15734 1 20 . 1 1 172 172 ASP C C 172 174.520 174.520 176.368 -1.848 25776 15735 1 20 . 1 1 172 172 ASP CA C 172 53.801 53.801 52.742 1.058 25776 15736 1 20 . 1 1 172 172 ASP CB C 172 43.089 43.089 43.113 -0.024 25776 15737 1 20 . 1 1 172 172 ASP H H 172 8.541 8.541 8.528 0.013 25776 15738 1 20 . 1 1 173 173 THR N N 173 118.920 118.920 112.133 6.787 25776 15739 1 20 . 1 1 173 173 THR C C 173 172.170 172.170 175.059 -2.889 25776 15740 1 20 . 1 1 173 173 THR CA C 173 60.936 60.936 62.767 -1.831 25776 15741 1 20 . 1 1 173 173 THR CB C 173 70.002 70.002 69.461 0.541 25776 15742 1 20 . 1 1 173 173 THR H H 173 8.814 8.814 8.301 0.513 25776 15743 1 20 . 1 1 176 176 SER C C 176 174.672 174.672 173.148 1.524 25776 15744 1 20 . 1 1 176 176 SER CA C 176 58.834 58.834 58.752 0.082 25776 15745 1 20 . 1 1 176 176 SER CB C 176 64.984 64.984 63.516 1.468 25776 15746 1 20 . 1 1 177 177 ILE N N 177 121.645 121.645 117.623 4.022 25776 15747 1 20 . 1 1 177 177 ILE C C 177 174.945 174.945 174.776 0.169 25776 15748 1 20 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.701 1.645 25776 15749 1 20 . 1 1 177 177 ILE CB C 177 40.139 40.139 39.213 0.926 25776 15750 1 20 . 1 1 177 177 ILE H H 177 7.993 7.993 8.066 -0.073 25776 15751 1 20 . 1 1 178 178 ASN N N 178 127.223 127.223 122.853 4.370 25776 15752 1 20 . 1 1 178 178 ASN C C 178 179.120 179.120 175.192 3.928 25776 15753 1 20 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.218 2.445 25776 15754 1 20 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.901 3.018 25776 15755 1 20 . 1 1 178 178 ASN H H 178 7.882 7.882 8.545 -0.663 25776 15756 1 20 . 1 1 182 182 ALA N N 182 124.095 124.095 121.956 2.139 25776 15757 1 20 . 1 1 182 182 ALA C C 182 177.680 177.680 176.625 1.055 25776 15758 1 20 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.559 2.657 25776 15759 1 20 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.844 -0.075 25776 15760 1 20 . 1 1 182 182 ALA H H 182 8.100 8.100 7.632 0.468 25776 15761 1 20 . 1 1 183 183 LEU N N 183 118.394 118.394 116.533 1.861 25776 15762 1 20 . 1 1 183 183 LEU C C 183 177.352 177.352 176.317 1.035 25776 15763 1 20 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.809 0.017 25776 15764 1 20 . 1 1 183 183 LEU CB C 183 43.184 43.184 42.376 0.808 25776 15765 1 20 . 1 1 183 183 LEU H H 183 7.854 7.854 8.536 -0.682 25776 15766 1 20 . 1 1 184 184 GLY N N 184 107.897 107.897 108.726 -0.829 25776 15767 1 20 . 1 1 184 184 GLY C C 184 174.288 174.288 173.221 1.067 25776 15768 1 20 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.700 1.976 25776 15769 1 20 . 1 1 184 184 GLY H H 184 7.883 7.883 7.648 0.235 25776 15770 1 20 . 1 1 185 185 VAL N N 185 118.254 118.254 121.045 -2.791 25776 15771 1 20 . 1 1 185 185 VAL C C 185 175.475 175.475 175.376 0.099 25776 15772 1 20 . 1 1 185 185 VAL CA C 185 63.048 63.048 63.734 -0.686 25776 15773 1 20 . 1 1 185 185 VAL CB C 185 33.471 33.471 31.297 2.174 25776 15774 1 20 . 1 1 185 185 VAL H H 185 7.676 7.676 8.317 -0.641 25776 15775 1 20 . 1 1 186 186 ASN N N 186 121.756 121.756 125.625 -3.869 25776 15776 1 20 . 1 1 186 186 ASN C C 186 174.724 174.724 175.542 -0.818 25776 15777 1 20 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.055 1.538 25776 15778 1 20 . 1 1 186 186 ASN CB C 186 39.898 39.898 40.204 -0.306 25776 15779 1 20 . 1 1 186 186 ASN H H 186 8.331 8.331 8.574 -0.243 25776 15780 1 20 . 1 1 187 187 LYS N N 187 120.959 120.959 119.469 1.490 25776 15781 1 20 . 1 1 187 187 LYS C C 187 174.652 174.652 174.824 -0.172 25776 15782 1 20 . 1 1 187 187 LYS CA C 187 57.198 57.198 57.415 -0.217 25776 15783 1 20 . 1 1 187 187 LYS CB C 187 34.043 34.043 31.536 2.507 25776 15784 1 20 . 1 1 187 187 LYS H H 187 8.031 8.031 8.511 -0.480 25776 15785 1 20 . 1 1 189 189 LYS C C 189 176.088 176.088 176.604 -0.516 25776 15786 1 20 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.131 1.311 25776 15787 1 20 . 1 1 190 190 VAL N N 190 121.122 121.122 122.987 -1.865 25776 15788 1 20 . 1 1 190 190 VAL C C 190 175.545 175.545 175.044 0.501 25776 15789 1 20 . 1 1 190 190 VAL CA C 190 63.121 63.121 61.606 1.515 25776 15790 1 20 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.006 1.942 25776 15791 1 20 . 1 1 190 190 VAL H H 190 8.067 8.067 7.723 0.344 25776 15792 1 20 . 1 1 191 191 ASP N N 191 124.022 124.022 127.740 -3.718 25776 15793 1 20 . 1 1 191 191 ASP C C 191 175.710 175.710 176.181 -0.471 25776 15794 1 20 . 1 1 191 191 ASP CA C 191 55.269 55.269 53.046 2.223 25776 15795 1 20 . 1 1 191 191 ASP CB C 191 41.978 41.978 43.591 -1.613 25776 15796 1 20 . 1 1 191 191 ASP H H 191 8.282 8.282 8.551 -0.269 25776 15797 1 20 . 1 1 192 192 VAL N N 192 118.928 118.928 119.374 -0.446 25776 15798 1 20 . 1 1 192 192 VAL C C 192 175.433 175.433 175.349 0.084 25776 15799 1 20 . 1 1 192 192 VAL CA C 192 62.820 62.820 61.149 1.671 25776 15800 1 20 . 1 1 192 192 VAL CB C 192 34.105 34.105 31.461 2.644 25776 15801 1 20 . 1 1 192 192 VAL H H 192 7.877 7.877 8.344 -0.467 25776 15802 1 20 . 1 1 193 193 ASP N N 193 124.364 124.364 127.079 -2.715 25776 15803 1 20 . 1 1 193 193 ASP C C 193 176.118 176.118 175.064 1.054 25776 15804 1 20 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.504 0.707 25776 15805 1 20 . 1 1 193 193 ASP CB C 193 42.033 42.033 42.549 -0.516 25776 15806 1 20 . 1 1 193 193 ASP H H 193 8.335 8.335 8.543 -0.208 25776 15807 1 20 . 1 1 198 198 VAL N N 198 126.400 126.400 117.158 9.242 25776 15808 1 20 . 1 1 198 198 VAL C C 198 174.600 174.600 174.199 0.401 25776 15809 1 20 . 1 1 198 198 VAL CA C 198 60.440 60.440 62.882 -2.442 25776 15810 1 20 . 1 1 198 198 VAL CB C 198 35.100 35.100 31.238 3.862 25776 15811 1 20 . 1 1 198 198 VAL H H 198 8.474 8.474 7.869 0.605 25776 15812 1 20 . 1 1 199 199 TYR N N 199 123.900 123.900 128.827 -4.927 25776 15813 1 20 . 1 1 199 199 TYR C C 199 173.600 173.600 173.985 -0.385 25776 15814 1 20 . 1 1 199 199 TYR CA C 199 55.510 55.510 57.337 -1.827 25776 15815 1 20 . 1 1 199 199 TYR CB C 199 40.630 40.630 42.301 -1.671 25776 15816 1 20 . 1 1 199 199 TYR H H 199 8.748 8.748 8.025 0.723 25776 15817 1 20 . 1 1 200 200 MET N N 200 123.700 123.700 125.045 -1.345 25776 15818 1 20 . 1 1 200 200 MET CA C 200 49.420 49.420 53.622 -4.202 25776 15819 1 20 . 1 1 200 200 MET H H 200 9.057 9.057 8.754 0.303 25776 15820 1 20 . 1 1 201 201 ILE C C 201 174.016 174.016 174.322 -0.306 25776 15821 1 20 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.836 0.638 25776 15822 1 20 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.553 1.882 25776 15823 1 20 . 1 1 202 202 GLY N N 202 113.215 113.215 113.052 0.163 25776 15824 1 20 . 1 1 202 202 GLY C C 202 170.124 170.124 172.429 -2.305 25776 15825 1 20 . 1 1 202 202 GLY CA C 202 47.560 47.560 43.595 3.965 25776 15826 1 20 . 1 1 202 202 GLY H H 202 8.646 8.646 8.593 0.053 25776 15827 1 20 . 1 1 203 203 PHE N N 203 116.782 116.782 117.894 -1.112 25776 15828 1 20 . 1 1 203 203 PHE C C 203 174.063 174.063 174.479 -0.416 25776 15829 1 20 . 1 1 203 203 PHE CA C 203 56.451 56.451 57.200 -0.749 25776 15830 1 20 . 1 1 203 203 PHE CB C 203 45.699 45.699 43.888 1.811 25776 15831 1 20 . 1 1 203 203 PHE H H 203 8.482 8.482 8.365 0.117 25776 15832 1 20 . 1 1 204 204 GLY N N 204 105.936 105.936 106.649 -0.713 25776 15833 1 20 . 1 1 204 204 GLY C C 204 171.097 171.097 171.539 -0.442 25776 15834 1 20 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.793 2.681 25776 15835 1 20 . 1 1 204 204 GLY H H 204 9.003 9.003 8.054 0.949 25776 15836 1 20 . 1 1 205 205 TYR N N 205 121.196 121.196 122.853 -1.657 25776 15837 1 20 . 1 1 205 205 TYR C C 205 172.994 172.994 173.803 -0.809 25776 15838 1 20 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.471 1.215 25776 15839 1 20 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.717 2.473 25776 15840 1 20 . 1 1 205 205 TYR H H 205 9.413 9.413 8.953 0.460 25776 15841 1 20 . 1 1 206 206 LYS N N 206 126.788 126.788 127.346 -0.558 25776 15842 1 20 . 1 1 206 206 LYS C C 206 174.161 174.161 174.363 -0.202 25776 15843 1 20 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.188 0.242 25776 15844 1 20 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.643 1.782 25776 15845 1 20 . 1 1 206 206 LYS H H 206 8.364 8.364 8.033 0.331 25776 15846 1 20 . 1 1 207 207 PHE N N 207 126.168 126.168 124.932 1.236 25776 15847 1 20 . 1 1 207 207 PHE C C 207 175.094 175.094 173.880 1.214 25776 15848 1 20 . 1 1 207 207 PHE CA C 207 58.690 58.690 56.338 2.352 25776 15849 1 20 . 1 1 207 207 PHE CB C 207 41.663 41.663 41.418 0.245 25776 15850 1 20 . 1 1 207 207 PHE H H 207 9.308 9.308 7.774 1.534 25776 15851 1 20 . 1 1 208 208 LEU N N 208 123.199 123.199 122.996 0.203 25776 15852 1 20 . 1 1 208 208 LEU C C 208 176.580 176.580 175.354 1.226 25776 15853 1 20 . 1 1 208 208 LEU CA C 208 55.471 55.471 53.681 1.790 25776 15854 1 20 . 1 1 208 208 LEU CB C 208 44.713 44.713 45.027 -0.314 25776 15855 1 20 . 1 1 208 208 LEU H H 208 8.376 8.376 7.660 0.716 25776 15856 1 20 . 1 1 209 209 GLU N N 209 121.960 121.960 123.130 -1.170 25776 15857 1 20 . 1 1 209 209 GLU C C 209 176.226 176.226 175.022 1.204 25776 15858 1 20 . 1 1 209 209 GLU CA C 209 57.732 57.732 55.852 1.880 25776 15859 1 20 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.776 0.677 25776 15860 1 20 . 1 1 209 209 GLU H H 209 8.500 8.500 8.565 -0.065 25776 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 154 3.348 -0.292 3.346 25776 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25776 3 1 1 "Average Difference" C 169 1.231 0.066 1.233 25776 4 1 1 "Average Difference" CA 168 1.416 -0.655 1.259 25776 5 1 1 "Average Difference" CB 148 2.103 -1.212 1.724 25776 6 1 1 "Average Difference" HN 154 0.636 -0.169 0.616 25776 7 1 2 "Average Difference" N 154 3.521 -0.511 3.496 25776 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25776 9 1 2 "Average Difference" C 169 1.363 0.138 1.360 25776 10 1 2 "Average Difference" CA 168 1.470 -0.633 1.331 25776 11 1 2 "Average Difference" CB 148 2.171 -1.249 1.781 25776 12 1 2 "Average Difference" HN 154 0.622 -0.135 0.609 25776 13 1 3 "Average Difference" N 154 3.771 -0.359 3.766 25776 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25776 15 1 3 "Average Difference" C 169 1.423 0.090 1.425 25776 16 1 3 "Average Difference" CA 168 1.516 -0.674 1.362 25776 17 1 3 "Average Difference" CB 148 2.169 -1.231 1.792 25776 18 1 3 "Average Difference" HN 154 0.615 -0.161 0.595 25776 19 1 4 "Average Difference" N 154 3.392 -0.087 3.402 25776 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25776 21 1 4 "Average Difference" C 169 1.303 -0.032 1.307 25776 22 1 4 "Average Difference" CA 168 1.528 -0.686 1.370 25776 23 1 4 "Average Difference" CB 148 2.069 -1.089 1.765 25776 24 1 4 "Average Difference" HN 154 0.640 -0.152 0.624 25776 25 1 5 "Average Difference" N 154 3.940 -0.495 3.921 25776 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25776 27 1 5 "Average Difference" C 169 1.311 0.172 1.303 25776 28 1 5 "Average Difference" CA 168 1.431 -0.640 1.284 25776 29 1 5 "Average Difference" CB 148 2.149 -1.316 1.705 25776 30 1 5 "Average Difference" HN 154 0.640 -0.145 0.625 25776 31 1 6 "Average Difference" N 154 3.886 -0.207 3.893 25776 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25776 33 1 6 "Average Difference" C 169 1.328 0.059 1.330 25776 34 1 6 "Average Difference" CA 168 1.477 -0.544 1.378 25776 35 1 6 "Average Difference" CB 148 2.107 -1.201 1.737 25776 36 1 6 "Average Difference" HN 154 0.637 -0.093 0.632 25776 37 1 7 "Average Difference" N 154 3.459 -0.055 3.470 25776 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25776 39 1 7 "Average Difference" C 169 1.337 0.096 1.337 25776 40 1 7 "Average Difference" CA 168 1.469 -0.761 1.260 25776 41 1 7 "Average Difference" CB 148 2.123 -1.375 1.623 25776 42 1 7 "Average Difference" HN 154 0.607 -0.131 0.594 25776 43 1 8 "Average Difference" N 154 3.596 -0.208 3.601 25776 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25776 45 1 8 "Average Difference" C 169 1.272 0.062 1.275 25776 46 1 8 "Average Difference" CA 168 1.408 -0.572 1.291 25776 47 1 8 "Average Difference" CB 148 2.077 -1.276 1.644 25776 48 1 8 "Average Difference" HN 154 0.588 -0.153 0.569 25776 49 1 9 "Average Difference" N 154 3.321 -0.171 3.327 25776 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25776 51 1 9 "Average Difference" C 169 1.278 0.064 1.280 25776 52 1 9 "Average Difference" CA 168 1.422 -0.669 1.259 25776 53 1 9 "Average Difference" CB 148 2.101 -1.243 1.700 25776 54 1 9 "Average Difference" HN 154 0.580 -0.111 0.571 25776 55 1 10 "Average Difference" N 154 3.585 -0.197 3.591 25776 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25776 57 1 10 "Average Difference" C 169 1.294 0.076 1.296 25776 58 1 10 "Average Difference" CA 168 1.487 -0.670 1.332 25776 59 1 10 "Average Difference" CB 148 2.092 -1.197 1.722 25776 60 1 10 "Average Difference" HN 154 0.631 -0.115 0.623 25776 61 1 11 "Average Difference" N 154 3.607 -0.553 3.576 25776 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25776 63 1 11 "Average Difference" C 169 1.317 0.091 1.318 25776 64 1 11 "Average Difference" CA 168 1.515 -0.639 1.378 25776 65 1 11 "Average Difference" CB 148 2.011 -1.218 1.606 25776 66 1 11 "Average Difference" HN 154 0.591 -0.139 0.576 25776 67 1 12 "Average Difference" N 154 3.469 -0.361 3.462 25776 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25776 69 1 12 "Average Difference" C 169 1.322 0.067 1.324 25776 70 1 12 "Average Difference" CA 168 1.445 -0.586 1.325 25776 71 1 12 "Average Difference" CB 148 2.140 -1.292 1.711 25776 72 1 12 "Average Difference" HN 154 0.620 -0.123 0.610 25776 73 1 13 "Average Difference" N 154 3.590 -0.455 3.573 25776 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25776 75 1 13 "Average Difference" C 169 1.231 0.035 1.235 25776 76 1 13 "Average Difference" CA 168 1.465 -0.596 1.342 25776 77 1 13 "Average Difference" CB 148 2.164 -1.267 1.760 25776 78 1 13 "Average Difference" HN 154 0.602 -0.141 0.587 25776 79 1 14 "Average Difference" N 154 3.760 -0.444 3.746 25776 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25776 81 1 14 "Average Difference" C 169 1.259 0.146 1.255 25776 82 1 14 "Average Difference" CA 168 1.527 -0.701 1.361 25776 83 1 14 "Average Difference" CB 148 2.096 -1.238 1.698 25776 84 1 14 "Average Difference" HN 154 0.621 -0.151 0.604 25776 85 1 15 "Average Difference" N 154 3.507 -0.336 3.503 25776 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25776 87 1 15 "Average Difference" C 169 1.287 0.084 1.288 25776 88 1 15 "Average Difference" CA 168 1.483 -0.623 1.350 25776 89 1 15 "Average Difference" CB 148 2.147 -1.200 1.786 25776 90 1 15 "Average Difference" HN 154 0.621 -0.139 0.607 25776 91 1 16 "Average Difference" N 154 3.846 -0.507 3.825 25776 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25776 93 1 16 "Average Difference" C 169 1.333 0.032 1.337 25776 94 1 16 "Average Difference" CA 168 1.472 -0.674 1.313 25776 95 1 16 "Average Difference" CB 148 2.131 -1.162 1.792 25776 96 1 16 "Average Difference" HN 154 0.619 -0.128 0.607 25776 97 1 17 "Average Difference" N 154 3.583 -0.364 3.576 25776 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25776 99 1 17 "Average Difference" C 169 1.250 0.140 1.246 25776 100 1 17 "Average Difference" CA 168 1.506 -0.689 1.343 25776 101 1 17 "Average Difference" CB 148 2.113 -1.191 1.751 25776 102 1 17 "Average Difference" HN 154 0.602 -0.150 0.585 25776 103 1 18 "Average Difference" N 154 3.777 -0.333 3.775 25776 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25776 105 1 18 "Average Difference" C 169 1.278 0.070 1.280 25776 106 1 18 "Average Difference" CA 168 1.391 -0.599 1.260 25776 107 1 18 "Average Difference" CB 148 2.088 -1.140 1.755 25776 108 1 18 "Average Difference" HN 154 0.597 -0.105 0.590 25776 109 1 19 "Average Difference" N 154 3.666 -0.529 3.639 25776 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25776 111 1 19 "Average Difference" C 169 1.363 0.032 1.367 25776 112 1 19 "Average Difference" CA 168 1.482 -0.689 1.316 25776 113 1 19 "Average Difference" CB 148 2.079 -1.165 1.728 25776 114 1 19 "Average Difference" HN 154 0.615 -0.150 0.599 25776 115 1 20 "Average Difference" N 154 3.761 -0.418 3.750 25776 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25776 117 1 20 "Average Difference" C 169 1.341 0.150 1.337 25776 118 1 20 "Average Difference" CA 168 1.520 -0.661 1.372 25776 119 1 20 "Average Difference" CB 148 2.126 -1.240 1.732 25776 120 1 20 "Average Difference" HN 154 0.602 -0.105 0.595 25776 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 25776 _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 HIS C C 2 175.393 175.393 174.195 1.198 25776 2 1 . 1 1 2 2 HIS CA C 2 53.804 53.804 55.751 -1.947 25776 3 1 . 1 1 2 2 HIS CB C 2 30.780 30.780 30.605 0.175 25776 4 1 . 1 1 3 3 LYS N N 3 121.908 121.908 120.783 1.125 25776 5 1 . 1 1 3 3 LYS C C 3 173.475 173.475 174.714 -1.239 25776 6 1 . 1 1 3 3 LYS CA C 3 55.027 55.027 55.195 -0.168 25776 7 1 . 1 1 3 3 LYS CB C 3 35.200 35.200 35.582 -0.382 25776 8 1 . 1 1 3 3 LYS H H 3 8.608 8.608 8.135 0.473 25776 9 1 . 1 1 4 4 ALA N N 4 120.771 120.771 122.494 -1.723 25776 10 1 . 1 1 4 4 ALA C C 4 178.118 178.118 178.152 -0.034 25776 11 1 . 1 1 4 4 ALA CA C 4 53.439 53.439 52.660 0.780 25776 12 1 . 1 1 4 4 ALA CB C 4 18.049 18.049 18.352 -0.303 25776 13 1 . 1 1 4 4 ALA H H 4 8.581 8.581 8.269 0.312 25776 14 1 . 1 1 5 5 GLY N N 5 112.807 112.807 112.007 0.800 25776 15 1 . 1 1 5 5 GLY C C 5 173.788 173.788 174.164 -0.376 25776 16 1 . 1 1 5 5 GLY CA C 5 44.820 44.820 44.649 0.171 25776 17 1 . 1 1 5 5 GLY H H 5 9.170 9.170 8.431 0.739 25776 18 1 . 1 1 6 6 ASP N N 6 121.504 121.504 121.367 0.137 25776 19 1 . 1 1 6 6 ASP C C 6 174.307 174.307 174.797 -0.490 25776 20 1 . 1 1 6 6 ASP CA C 6 55.818 55.818 55.224 0.594 25776 21 1 . 1 1 6 6 ASP CB C 6 41.575 41.575 41.641 -0.066 25776 22 1 . 1 1 6 6 ASP H H 6 7.619 7.619 7.537 0.082 25776 23 1 . 1 1 7 7 PHE N N 7 121.212 121.212 122.826 -1.614 25776 24 1 . 1 1 7 7 PHE C C 7 174.030 174.030 174.325 -0.294 25776 25 1 . 1 1 7 7 PHE CA C 7 56.601 56.601 57.210 -0.608 25776 26 1 . 1 1 7 7 PHE CB C 7 43.076 43.076 39.979 3.097 25776 27 1 . 1 1 7 7 PHE H H 7 8.285 8.285 8.516 -0.231 25776 28 1 . 1 1 8 8 ILE N N 8 128.185 128.185 123.954 4.231 25776 29 1 . 1 1 8 8 ILE C C 8 173.961 173.961 174.281 -0.320 25776 30 1 . 1 1 8 8 ILE CA C 8 61.723 61.723 59.394 2.329 25776 31 1 . 1 1 8 8 ILE CB C 8 43.669 43.669 41.104 2.565 25776 32 1 . 1 1 8 8 ILE H H 8 9.245 9.245 8.487 0.758 25776 33 1 . 1 1 9 9 ILE N N 9 125.624 125.624 124.033 1.591 25776 34 1 . 1 1 9 9 ILE C C 9 173.731 173.731 174.720 -0.989 25776 35 1 . 1 1 9 9 ILE CA C 9 60.290 60.290 60.042 0.248 25776 36 1 . 1 1 9 9 ILE CB C 9 42.091 42.091 39.402 2.689 25776 37 1 . 1 1 9 9 ILE H H 9 8.628 8.628 8.530 0.098 25776 38 1 . 1 1 10 10 ARG N N 10 125.025 125.025 125.474 -0.449 25776 39 1 . 1 1 10 10 ARG C C 10 175.074 175.074 175.098 -0.024 25776 40 1 . 1 1 10 10 ARG CA C 10 54.494 54.494 54.406 0.088 25776 41 1 . 1 1 10 10 ARG CB C 10 32.772 32.772 33.993 -1.221 25776 42 1 . 1 1 10 10 ARG H H 10 9.225 9.225 8.928 0.297 25776 43 1 . 1 1 11 11 GLY N N 11 106.141 106.141 109.024 -2.883 25776 44 1 . 1 1 11 11 GLY C C 11 171.959 171.959 172.278 -0.319 25776 45 1 . 1 1 11 11 GLY CA C 11 45.207 45.207 44.925 0.282 25776 46 1 . 1 1 11 11 GLY H H 11 8.885 8.885 8.413 0.472 25776 47 1 . 1 1 12 12 GLY N N 12 107.818 107.818 106.695 1.123 25776 48 1 . 1 1 12 12 GLY C C 12 171.465 171.465 171.985 -0.520 25776 49 1 . 1 1 12 12 GLY CA C 12 47.313 47.313 44.693 2.619 25776 50 1 . 1 1 12 12 GLY H H 12 8.433 8.433 7.658 0.775 25776 51 1 . 1 1 13 13 PHE N N 13 120.233 120.233 118.585 1.648 25776 52 1 . 1 1 13 13 PHE C C 13 174.056 174.056 174.994 -0.938 25776 53 1 . 1 1 13 13 PHE CA C 13 57.151 57.151 57.270 -0.119 25776 54 1 . 1 1 13 13 PHE CB C 13 41.625 41.625 40.780 0.845 25776 55 1 . 1 1 13 13 PHE H H 13 8.606 8.606 8.292 0.314 25776 56 1 . 1 1 18 18 PRO C C 18 176.552 176.552 176.086 0.466 25776 57 1 . 1 1 18 18 PRO CA C 18 64.091 64.091 63.020 1.071 25776 58 1 . 1 1 18 18 PRO CB C 18 33.649 33.649 32.622 1.027 25776 59 1 . 1 1 19 19 ASP N N 19 121.094 121.094 119.598 1.496 25776 60 1 . 1 1 19 19 ASP C C 19 176.047 176.047 176.111 -0.064 25776 61 1 . 1 1 19 19 ASP CA C 19 55.274 55.274 54.649 0.625 25776 62 1 . 1 1 19 19 ASP CB C 19 42.043 42.043 40.985 1.058 25776 63 1 . 1 1 19 19 ASP H H 19 8.372 8.372 8.452 -0.080 25776 64 1 . 1 1 20 20 ASP N N 20 123.179 123.179 119.337 3.842 25776 65 1 . 1 1 20 20 ASP C C 20 176.790 176.790 176.789 0.001 25776 66 1 . 1 1 20 20 ASP CA C 20 55.095 55.095 55.123 -0.028 25776 67 1 . 1 1 20 20 ASP CB C 20 41.834 41.834 41.158 0.676 25776 68 1 . 1 1 20 20 ASP H H 20 8.357 8.357 8.289 0.068 25776 69 1 . 1 1 21 21 SER N N 21 117.319 117.319 114.894 2.425 25776 70 1 . 1 1 21 21 SER C C 21 175.218 175.218 174.097 1.121 25776 71 1 . 1 1 21 21 SER CA C 21 60.134 60.134 58.532 1.602 25776 72 1 . 1 1 21 21 SER CB C 21 64.701 64.701 63.757 0.944 25776 73 1 . 1 1 21 21 SER H H 21 8.398 8.398 8.042 0.356 25776 74 1 . 1 1 22 22 SER N N 22 117.994 117.994 117.820 0.174 25776 75 1 . 1 1 22 22 SER C C 22 174.877 174.877 173.907 0.970 25776 76 1 . 1 1 22 22 SER CA C 22 59.839 59.839 58.591 1.249 25776 77 1 . 1 1 22 22 SER CB C 22 64.669 64.669 63.862 0.807 25776 78 1 . 1 1 22 22 SER H H 22 8.314 8.314 8.218 0.096 25776 79 1 . 1 1 23 23 SER N N 23 117.809 117.809 118.076 -0.267 25776 80 1 . 1 1 23 23 SER C C 23 174.298 174.298 173.367 0.931 25776 81 1 . 1 1 23 23 SER CA C 23 59.629 59.629 58.091 1.538 25776 82 1 . 1 1 23 23 SER CB C 23 64.802 64.802 64.310 0.492 25776 83 1 . 1 1 23 23 SER H H 23 8.143 8.143 8.307 -0.164 25776 84 1 . 1 1 24 24 ASP N N 24 122.829 122.829 122.162 0.667 25776 85 1 . 1 1 24 24 ASP C C 24 176.250 176.250 175.825 0.425 25776 86 1 . 1 1 24 24 ASP CA C 24 55.493 55.493 54.391 1.102 25776 87 1 . 1 1 24 24 ASP CB C 24 41.841 41.841 41.456 0.385 25776 88 1 . 1 1 24 24 ASP H H 24 8.234 8.234 8.360 -0.126 25776 89 1 . 1 1 25 25 ILE N N 25 120.717 120.717 119.093 1.624 25776 90 1 . 1 1 25 25 ILE C C 25 176.204 176.204 175.660 0.544 25776 91 1 . 1 1 25 25 ILE CA C 25 62.556 62.556 61.770 0.786 25776 92 1 . 1 1 25 25 ILE CB C 25 39.668 39.668 38.168 1.499 25776 93 1 . 1 1 25 25 ILE H H 25 7.884 7.884 8.131 -0.247 25776 94 1 . 1 1 26 26 LYS N N 26 124.527 124.527 121.172 3.354 25776 95 1 . 1 1 26 26 LYS C C 26 176.616 176.616 175.973 0.643 25776 96 1 . 1 1 26 26 LYS CA C 26 57.192 57.192 56.347 0.845 25776 97 1 . 1 1 26 26 LYS CB C 26 33.809 33.809 32.866 0.943 25776 98 1 . 1 1 26 26 LYS H H 26 8.164 8.164 7.998 0.166 25776 99 1 . 1 1 27 27 LEU N N 27 123.292 123.292 122.212 1.080 25776 100 1 . 1 1 27 27 LEU C C 27 177.077 177.077 176.094 0.983 25776 101 1 . 1 1 27 27 LEU CA C 27 56.173 56.173 55.040 1.133 25776 102 1 . 1 1 27 27 LEU CB C 27 43.317 43.317 42.631 0.686 25776 103 1 . 1 1 27 27 LEU H H 27 8.100 8.100 8.214 -0.114 25776 104 1 . 1 1 28 28 ASP N N 28 121.059 121.059 121.286 -0.227 25776 105 1 . 1 1 28 28 ASP C C 28 176.929 176.929 176.249 0.680 25776 106 1 . 1 1 28 28 ASP CA C 28 55.348 55.348 54.234 1.114 25776 107 1 . 1 1 28 28 ASP CB C 28 42.075 42.075 41.796 0.279 25776 108 1 . 1 1 28 28 ASP H H 28 8.209 8.209 8.317 -0.108 25776 109 1 . 1 1 29 29 GLY N N 29 110.032 110.032 109.067 0.965 25776 110 1 . 1 1 29 29 GLY C C 29 174.364 174.364 173.470 0.894 25776 111 1 . 1 1 29 29 GLY CA C 29 46.878 46.878 44.959 1.919 25776 112 1 . 1 1 29 29 GLY H H 29 8.274 8.274 8.304 -0.030 25776 113 1 . 1 1 30 30 ALA N N 30 124.102 124.102 123.243 0.859 25776 114 1 . 1 1 30 30 ALA C C 30 178.005 178.005 176.872 1.133 25776 115 1 . 1 1 30 30 ALA CA C 30 53.824 53.824 52.306 1.518 25776 116 1 . 1 1 30 30 ALA CB C 30 20.127 20.127 19.850 0.277 25776 117 1 . 1 1 30 30 ALA H H 30 8.085 8.085 8.090 -0.005 25776 118 1 . 1 1 31 31 LYS N N 31 119.810 119.810 120.919 -1.110 25776 119 1 . 1 1 31 31 LYS C C 31 176.650 176.650 175.948 0.702 25776 120 1 . 1 1 31 31 LYS CA C 31 57.472 57.472 56.517 0.955 25776 121 1 . 1 1 31 31 LYS CB C 31 33.948 33.948 32.913 1.035 25776 122 1 . 1 1 31 31 LYS H H 31 8.075 8.075 8.420 -0.345 25776 123 1 . 1 1 32 32 GLN N N 32 121.045 121.045 120.136 0.909 25776 124 1 . 1 1 32 32 GLN C C 32 175.862 175.862 175.769 0.093 25776 125 1 . 1 1 32 32 GLN CA C 32 56.939 56.939 55.749 1.190 25776 126 1 . 1 1 32 32 GLN CB C 32 30.194 30.194 29.810 0.384 25776 127 1 . 1 1 32 32 GLN H H 32 8.182 8.182 8.283 -0.101 25776 128 1 . 1 1 33 33 ARG N N 33 122.683 122.683 121.716 0.967 25776 129 1 . 1 1 33 33 ARG C C 33 176.492 176.492 176.015 0.477 25776 130 1 . 1 1 33 33 ARG CA C 33 57.082 57.082 56.346 0.736 25776 131 1 . 1 1 33 33 ARG CB C 33 31.952 31.952 30.646 1.306 25776 132 1 . 1 1 33 33 ARG H H 33 8.288 8.288 8.530 -0.242 25776 133 1 . 1 1 36 36 LYS C C 36 176.028 176.028 175.372 0.656 25776 134 1 . 1 1 36 36 LYS CA C 36 57.223 57.223 56.251 0.972 25776 135 1 . 1 1 36 36 LYS CB C 36 34.262 34.262 33.067 1.195 25776 136 1 . 1 1 37 37 ALA N N 37 125.793 125.793 125.426 0.367 25776 137 1 . 1 1 37 37 ALA C C 37 177.567 177.567 176.869 0.698 25776 138 1 . 1 1 37 37 ALA CA C 37 53.568 53.568 52.159 1.409 25776 139 1 . 1 1 37 37 ALA CB C 37 20.408 20.408 19.364 1.044 25776 140 1 . 1 1 37 37 ALA H H 37 8.329 8.329 8.263 0.066 25776 141 1 . 1 1 38 38 THR N N 38 113.398 113.398 114.288 -0.890 25776 142 1 . 1 1 38 38 THR C C 38 174.556 174.556 174.430 0.126 25776 143 1 . 1 1 38 38 THR CA C 38 62.551 62.551 62.198 0.353 25776 144 1 . 1 1 38 38 THR CB C 38 71.054 71.054 69.213 1.841 25776 145 1 . 1 1 38 38 THR H H 38 8.007 8.007 8.185 -0.178 25776 146 1 . 1 1 39 39 VAL N N 39 120.865 120.865 120.809 0.056 25776 147 1 . 1 1 39 39 VAL C C 39 175.523 175.523 175.420 0.103 25776 148 1 . 1 1 39 39 VAL CA C 39 63.100 63.100 62.530 0.570 25776 149 1 . 1 1 39 39 VAL CB C 39 34.044 34.044 32.381 1.663 25776 150 1 . 1 1 39 39 VAL H H 39 8.043 8.043 8.119 -0.076 25776 151 1 . 1 1 40 40 ASP N N 40 124.053 124.053 121.160 2.893 25776 152 1 . 1 1 40 40 ASP C C 40 176.132 176.132 175.888 0.244 25776 153 1 . 1 1 40 40 ASP CA C 40 55.281 55.281 54.446 0.835 25776 154 1 . 1 1 40 40 ASP CB C 40 42.219 42.219 41.407 0.812 25776 155 1 . 1 1 40 40 ASP H H 40 8.333 8.333 8.228 0.105 25776 156 1 . 1 1 41 41 SER N N 41 115.655 115.655 117.473 -1.818 25776 157 1 . 1 1 41 41 SER C C 41 174.147 174.147 173.676 0.471 25776 158 1 . 1 1 41 41 SER CA C 41 59.367 59.367 58.560 0.807 25776 159 1 . 1 1 41 41 SER CB C 41 65.027 65.027 63.890 1.137 25776 160 1 . 1 1 41 41 SER H H 41 8.142 8.142 8.420 -0.278 25776 161 1 . 1 1 42 42 ASP N N 42 123.005 123.005 122.865 0.140 25776 162 1 . 1 1 42 42 ASP C C 42 176.578 176.578 175.797 0.781 25776 163 1 . 1 1 42 42 ASP CA C 42 55.439 55.439 54.441 0.998 25776 164 1 . 1 1 42 42 ASP CB C 42 42.404 42.404 41.538 0.866 25776 165 1 . 1 1 42 42 ASP H H 42 8.433 8.433 8.281 0.152 25776 166 1 . 1 1 43 43 THR C C 43 176.244 176.244 174.609 1.635 25776 167 1 . 1 1 43 43 THR CA C 43 62.772 62.772 62.570 0.202 25776 168 1 . 1 1 43 43 THR CB C 43 71.018 71.018 69.562 1.456 25776 169 1 . 1 1 44 44 GLN N N 44 123.824 123.824 121.143 2.681 25776 170 1 . 1 1 44 44 GLN C C 44 177.061 177.061 174.848 2.213 25776 171 1 . 1 1 44 44 GLN CA C 44 57.279 57.279 55.577 1.702 25776 172 1 . 1 1 44 44 GLN CB C 44 33.662 33.662 30.000 3.662 25776 173 1 . 1 1 44 44 GLN H H 44 8.270 8.270 7.955 0.315 25776 174 1 . 1 1 45 45 LEU N N 45 122.159 122.159 122.332 -0.173 25776 175 1 . 1 1 45 45 LEU C C 45 176.419 176.419 176.439 -0.020 25776 176 1 . 1 1 45 45 LEU CA C 45 56.118 56.118 54.035 2.083 25776 177 1 . 1 1 45 45 LEU CB C 45 42.621 42.621 43.543 -0.922 25776 178 1 . 1 1 45 45 LEU H H 45 7.940 7.940 8.293 -0.354 25776 179 1 . 1 1 46 46 GLY N N 46 107.861 107.861 107.715 0.146 25776 180 1 . 1 1 46 46 GLY C C 46 171.538 171.538 172.152 -0.614 25776 181 1 . 1 1 46 46 GLY CA C 46 44.775 44.775 44.548 0.227 25776 182 1 . 1 1 46 46 GLY H H 46 8.566 8.566 7.967 0.599 25776 183 1 . 1 1 47 47 LEU N N 47 122.959 122.959 123.049 -0.090 25776 184 1 . 1 1 47 47 LEU C C 47 175.422 175.422 175.201 0.221 25776 185 1 . 1 1 47 47 LEU CA C 47 54.331 54.331 54.015 0.316 25776 186 1 . 1 1 47 47 LEU CB C 47 48.343 48.343 46.036 2.307 25776 187 1 . 1 1 47 47 LEU H H 47 8.457 8.457 8.087 0.370 25776 188 1 . 1 1 48 48 THR N N 48 112.144 112.144 116.237 -4.094 25776 189 1 . 1 1 48 48 THR C C 48 172.347 172.347 173.203 -0.856 25776 190 1 . 1 1 48 48 THR CA C 48 59.573 59.573 60.746 -1.173 25776 191 1 . 1 1 48 48 THR CB C 48 72.843 72.843 71.623 1.220 25776 192 1 . 1 1 48 48 THR H H 48 8.814 8.814 8.837 -0.023 25776 193 1 . 1 1 49 49 PHE N N 49 118.787 118.787 124.003 -5.216 25776 194 1 . 1 1 49 49 PHE C C 49 174.623 174.623 175.211 -0.588 25776 195 1 . 1 1 49 49 PHE CA C 49 55.737 55.737 57.002 -1.265 25776 196 1 . 1 1 49 49 PHE CB C 49 42.986 42.986 41.183 1.803 25776 197 1 . 1 1 49 49 PHE H H 49 8.455 8.455 8.586 -0.131 25776 198 1 . 1 1 50 50 THR N N 50 121.279 121.279 118.596 2.683 25776 199 1 . 1 1 50 50 THR C C 50 173.272 173.272 173.248 0.024 25776 200 1 . 1 1 50 50 THR CA C 50 63.315 63.315 60.895 2.420 25776 201 1 . 1 1 50 50 THR CB C 50 74.327 74.327 70.680 3.647 25776 202 1 . 1 1 50 50 THR H H 50 9.372 9.372 8.872 0.500 25776 203 1 . 1 1 51 51 TYR N N 51 126.005 126.005 125.585 0.420 25776 204 1 . 1 1 51 51 TYR C C 51 174.837 174.837 175.328 -0.491 25776 205 1 . 1 1 51 51 TYR CA C 51 56.860 56.860 56.644 0.216 25776 206 1 . 1 1 51 51 TYR CB C 51 42.447 42.447 39.785 2.663 25776 207 1 . 1 1 51 51 TYR H H 51 9.157 9.157 8.586 0.571 25776 208 1 . 1 1 52 52 MET N N 52 127.601 127.601 123.891 3.710 25776 209 1 . 1 1 52 52 MET C C 52 174.466 174.466 174.917 -0.451 25776 210 1 . 1 1 52 52 MET CA C 52 53.171 53.171 56.236 -3.065 25776 211 1 . 1 1 52 52 MET CB C 52 29.467 29.467 33.423 -3.956 25776 212 1 . 1 1 52 52 MET H H 52 7.998 7.998 8.308 -0.310 25776 213 1 . 1 1 53 53 PHE N N 53 123.918 123.918 125.004 -1.086 25776 214 1 . 1 1 53 53 PHE C C 53 173.685 173.685 175.015 -1.330 25776 215 1 . 1 1 53 53 PHE CA C 53 57.614 57.614 56.390 1.224 25776 216 1 . 1 1 53 53 PHE CB C 53 40.111 40.111 42.698 -2.587 25776 217 1 . 1 1 53 53 PHE H H 53 7.762 7.762 9.073 -1.312 25776 218 1 . 1 1 54 54 ALA N N 54 125.892 125.892 125.300 0.592 25776 219 1 . 1 1 54 54 ALA C C 54 174.976 174.976 177.710 -2.734 25776 220 1 . 1 1 54 54 ALA CA C 54 51.443 51.443 53.481 -2.038 25776 221 1 . 1 1 54 54 ALA CB C 54 23.534 23.534 18.714 4.820 25776 222 1 . 1 1 54 54 ALA H H 54 8.396 8.396 8.372 0.024 25776 223 1 . 1 1 55 55 ASP N N 55 118.951 118.951 119.640 -0.689 25776 224 1 . 1 1 55 55 ASP C C 55 174.777 174.777 175.679 -0.902 25776 225 1 . 1 1 55 55 ASP CA C 55 59.139 59.139 56.589 2.550 25776 226 1 . 1 1 55 55 ASP CB C 55 40.948 40.948 40.369 0.579 25776 227 1 . 1 1 55 55 ASP H H 55 8.632 8.632 8.803 -0.171 25776 228 1 . 1 1 56 56 LYS N N 56 106.363 106.363 114.481 -8.118 25776 229 1 . 1 1 56 56 LYS C C 56 174.930 174.930 174.792 0.138 25776 230 1 . 1 1 56 56 LYS CA C 56 55.870 55.870 56.350 -0.480 25776 231 1 . 1 1 56 56 LYS CB C 56 35.437 35.437 32.170 3.267 25776 232 1 . 1 1 56 56 LYS H H 56 7.300 7.300 8.318 -1.018 25776 233 1 . 1 1 57 57 TRP N N 57 115.784 115.784 121.667 -5.883 25776 234 1 . 1 1 57 57 TRP C C 57 173.960 173.960 175.547 -1.587 25776 235 1 . 1 1 57 57 TRP CA C 57 55.957 55.957 57.052 -1.095 25776 236 1 . 1 1 57 57 TRP CB C 57 35.176 35.176 32.875 2.301 25776 237 1 . 1 1 57 57 TRP H H 57 6.612 6.612 7.980 -1.368 25776 238 1 . 1 1 58 58 GLY N N 58 107.657 107.657 107.001 0.656 25776 239 1 . 1 1 58 58 GLY C C 58 172.720 172.720 172.075 0.645 25776 240 1 . 1 1 58 58 GLY CA C 58 45.784 45.784 45.424 0.360 25776 241 1 . 1 1 58 58 GLY H H 58 9.271 9.271 8.503 0.768 25776 242 1 . 1 1 59 59 VAL N N 59 118.434 118.434 123.231 -4.797 25776 243 1 . 1 1 59 59 VAL C C 59 172.973 172.973 174.643 -1.670 25776 244 1 . 1 1 59 59 VAL CA C 59 60.638 60.638 60.998 -0.360 25776 245 1 . 1 1 59 59 VAL CB C 59 36.036 36.036 33.528 2.508 25776 246 1 . 1 1 59 59 VAL H H 59 9.080 9.080 8.242 0.838 25776 247 1 . 1 1 60 60 GLU N N 60 127.915 127.915 127.449 0.466 25776 248 1 . 1 1 60 60 GLU C C 60 174.464 174.464 174.628 -0.164 25776 249 1 . 1 1 60 60 GLU CA C 60 53.751 53.751 54.368 -0.617 25776 250 1 . 1 1 60 60 GLU CB C 60 36.042 36.042 33.446 2.596 25776 251 1 . 1 1 60 60 GLU H H 60 9.431 9.431 9.049 0.383 25776 252 1 . 1 1 61 61 LEU N N 61 127.764 127.764 125.645 2.119 25776 253 1 . 1 1 61 61 LEU C C 61 174.746 174.746 175.111 -0.365 25776 254 1 . 1 1 61 61 LEU CA C 61 53.991 53.991 53.885 0.106 25776 255 1 . 1 1 61 61 LEU CB C 61 46.880 46.880 45.341 1.539 25776 256 1 . 1 1 61 61 LEU H H 61 8.730 8.730 8.331 0.399 25776 257 1 . 1 1 62 62 VAL N N 62 126.465 126.465 124.193 2.272 25776 258 1 . 1 1 62 62 VAL C C 62 174.453 174.453 174.707 -0.254 25776 259 1 . 1 1 62 62 VAL CA C 62 62.285 62.285 61.283 1.002 25776 260 1 . 1 1 62 62 VAL CB C 62 35.086 35.086 32.646 2.440 25776 261 1 . 1 1 62 62 VAL H H 62 9.068 9.068 8.434 0.634 25776 262 1 . 1 1 63 63 ALA N N 63 130.444 130.444 128.169 2.275 25776 263 1 . 1 1 63 63 ALA C C 63 174.030 174.030 175.060 -1.030 25776 264 1 . 1 1 63 63 ALA CA C 63 51.250 51.250 51.948 -0.698 25776 265 1 . 1 1 63 63 ALA CB C 63 23.503 23.503 22.046 1.457 25776 266 1 . 1 1 63 63 ALA H H 63 9.124 9.124 8.634 0.490 25776 267 1 . 1 1 64 64 ALA N N 64 121.285 121.285 124.236 -2.951 25776 268 1 . 1 1 64 64 ALA C C 64 176.843 176.843 176.699 0.144 25776 269 1 . 1 1 64 64 ALA CA C 64 52.170 52.170 51.736 0.434 25776 270 1 . 1 1 64 64 ALA CB C 64 23.172 23.172 20.690 2.482 25776 271 1 . 1 1 64 64 ALA H H 64 7.995 7.995 8.443 -0.448 25776 272 1 . 1 1 65 65 THR N N 65 109.734 109.734 116.144 -6.410 25776 273 1 . 1 1 65 65 THR C C 65 176.739 176.739 173.433 3.306 25776 274 1 . 1 1 65 65 THR CA C 65 61.660 61.660 59.724 1.937 25776 275 1 . 1 1 65 65 THR CB C 65 68.341 68.341 69.587 -1.246 25776 276 1 . 1 1 65 65 THR H H 65 8.108 8.108 8.229 -0.121 25776 277 1 . 1 1 67 67 PHE N N 67 123.676 123.676 118.527 5.149 25776 278 1 . 1 1 67 67 PHE CA C 67 56.849 56.849 57.897 -1.048 25776 279 1 . 1 1 67 67 PHE H H 67 8.382 8.382 8.029 0.353 25776 280 1 . 1 1 74 74 LYS C C 74 177.704 177.704 176.665 1.039 25776 281 1 . 1 1 74 74 LYS CA C 74 56.028 56.028 56.462 -0.434 25776 282 1 . 1 1 74 74 LYS CB C 74 34.062 34.062 32.661 1.401 25776 283 1 . 1 1 75 75 GLY N N 75 108.841 108.841 108.351 0.490 25776 284 1 . 1 1 75 75 GLY C C 75 174.405 174.405 173.367 1.038 25776 285 1 . 1 1 75 75 GLY CA C 75 46.712 46.712 44.821 1.891 25776 286 1 . 1 1 75 75 GLY H H 75 8.069 8.069 7.968 0.101 25776 287 1 . 1 1 76 76 LEU N N 76 120.093 120.093 121.469 -1.376 25776 288 1 . 1 1 76 76 LEU C C 76 176.997 176.997 176.949 0.048 25776 289 1 . 1 1 76 76 LEU CA C 76 56.180 56.180 55.017 1.163 25776 290 1 . 1 1 76 76 LEU CB C 76 45.997 45.997 42.842 3.155 25776 291 1 . 1 1 76 76 LEU H H 76 7.623 7.623 8.439 -0.816 25776 292 1 . 1 1 79 79 GLY C C 79 175.675 175.675 173.562 2.113 25776 293 1 . 1 1 79 79 GLY CA C 79 47.099 47.099 45.012 2.087 25776 294 1 . 1 1 80 80 LEU N N 80 130.062 130.062 121.681 8.381 25776 295 1 . 1 1 80 80 LEU C C 80 176.062 176.062 176.166 -0.104 25776 296 1 . 1 1 80 80 LEU CA C 80 55.404 55.404 55.308 0.096 25776 297 1 . 1 1 80 80 LEU CB C 80 43.006 43.006 43.153 -0.147 25776 298 1 . 1 1 80 80 LEU H H 80 9.441 9.441 8.033 1.408 25776 299 1 . 1 1 81 81 ASP N N 81 124.816 124.816 121.666 3.150 25776 300 1 . 1 1 81 81 ASP C C 81 178.992 178.992 176.065 2.927 25776 301 1 . 1 1 81 81 ASP CA C 81 55.769 55.769 54.029 1.740 25776 302 1 . 1 1 81 81 ASP CB C 81 41.947 41.947 41.509 0.438 25776 303 1 . 1 1 81 81 ASP H H 81 7.854 7.854 8.337 -0.482 25776 304 1 . 1 1 91 91 PRO C C 91 175.297 175.297 175.653 -0.356 25776 305 1 . 1 1 91 91 PRO CA C 91 61.833 61.833 62.822 -0.989 25776 306 1 . 1 1 91 91 PRO CB C 91 33.531 33.531 32.338 1.193 25776 307 1 . 1 1 92 92 ALA N N 92 123.521 123.521 124.289 -0.768 25776 308 1 . 1 1 92 92 ALA C C 92 175.643 175.643 175.854 -0.211 25776 309 1 . 1 1 92 92 ALA CA C 92 52.675 52.675 51.223 1.452 25776 310 1 . 1 1 92 92 ALA CB C 92 22.725 22.725 22.072 0.653 25776 311 1 . 1 1 92 92 ALA H H 92 8.829 8.829 8.080 0.749 25776 312 1 . 1 1 93 93 THR N N 93 117.599 117.599 118.922 -1.323 25776 313 1 . 1 1 93 93 THR C C 93 171.440 171.440 173.343 -1.903 25776 314 1 . 1 1 93 93 THR CA C 93 62.066 62.066 61.928 0.138 25776 315 1 . 1 1 93 93 THR CB C 93 72.352 72.352 70.818 1.534 25776 316 1 . 1 1 93 93 THR H H 93 8.237 8.237 8.119 0.118 25776 317 1 . 1 1 94 94 LEU N N 94 129.530 129.530 127.786 1.744 25776 318 1 . 1 1 94 94 LEU C C 94 174.995 174.995 174.585 0.411 25776 319 1 . 1 1 94 94 LEU CA C 94 54.194 54.194 53.990 0.204 25776 320 1 . 1 1 94 94 LEU CB C 94 47.165 47.165 44.902 2.263 25776 321 1 . 1 1 94 94 LEU H H 94 8.732 8.732 8.399 0.333 25776 322 1 . 1 1 95 95 LEU N N 95 124.181 124.181 122.613 1.568 25776 323 1 . 1 1 95 95 LEU C C 95 175.270 175.270 174.566 0.704 25776 324 1 . 1 1 95 95 LEU CA C 95 55.533 55.533 54.384 1.149 25776 325 1 . 1 1 95 95 LEU CB C 95 46.672 46.672 46.147 0.525 25776 326 1 . 1 1 95 95 LEU H H 95 9.485 9.485 8.897 0.588 25776 327 1 . 1 1 96 96 LEU N N 96 123.444 123.444 122.246 1.198 25776 328 1 . 1 1 96 96 LEU C C 96 174.997 174.997 175.654 -0.657 25776 329 1 . 1 1 96 96 LEU CA C 96 55.313 55.313 53.926 1.387 25776 330 1 . 1 1 96 96 LEU CB C 96 45.148 45.148 43.621 1.527 25776 331 1 . 1 1 96 96 LEU H H 96 8.836 8.836 8.903 -0.067 25776 332 1 . 1 1 97 97 GLN N N 97 121.545 121.545 122.362 -0.817 25776 333 1 . 1 1 97 97 GLN C C 97 174.324 174.324 174.349 -0.025 25776 334 1 . 1 1 97 97 GLN CA C 97 55.388 55.388 54.248 1.140 25776 335 1 . 1 1 97 97 GLN CB C 97 37.524 37.524 31.811 5.713 25776 336 1 . 1 1 97 97 GLN H H 97 9.566 9.566 8.965 0.601 25776 337 1 . 1 1 98 98 TYR N N 98 122.246 122.246 119.774 2.472 25776 338 1 . 1 1 98 98 TYR C C 98 173.409 173.409 174.687 -1.278 25776 339 1 . 1 1 98 98 TYR CA C 98 55.655 55.655 55.793 -0.138 25776 340 1 . 1 1 98 98 TYR CB C 98 43.208 43.208 41.602 1.606 25776 341 1 . 1 1 98 98 TYR H H 98 9.053 9.053 8.852 0.201 25776 342 1 . 1 1 99 99 TYR N N 99 126.872 126.872 122.684 4.188 25776 343 1 . 1 1 99 99 TYR C C 99 175.310 175.310 174.503 0.807 25776 344 1 . 1 1 99 99 TYR CA C 99 54.756 54.756 55.120 -0.364 25776 345 1 . 1 1 99 99 TYR CB C 99 39.635 39.635 37.979 1.656 25776 346 1 . 1 1 99 99 TYR H H 99 8.344 8.344 8.346 -0.002 25776 347 1 . 1 1 100 100 PRO C C 100 178.304 178.304 177.095 1.209 25776 348 1 . 1 1 100 100 PRO CA C 100 65.410 65.410 64.707 0.703 25776 349 1 . 1 1 100 100 PRO CB C 100 33.107 33.107 32.261 0.846 25776 350 1 . 1 1 101 101 MET N N 101 114.703 114.703 116.881 -2.178 25776 351 1 . 1 1 101 101 MET C C 101 178.218 178.218 175.964 2.254 25776 352 1 . 1 1 101 101 MET CA C 101 54.147 54.147 55.051 -0.904 25776 353 1 . 1 1 101 101 MET CB C 101 30.956 30.956 33.261 -2.305 25776 354 1 . 1 1 101 101 MET H H 101 9.432 9.432 8.000 1.432 25776 355 1 . 1 1 102 102 GLY N N 102 117.671 117.671 107.492 10.179 25776 356 1 . 1 1 102 102 GLY C C 102 175.611 175.611 174.236 1.375 25776 357 1 . 1 1 102 102 GLY CA C 102 47.452 47.452 45.343 2.109 25776 358 1 . 1 1 102 102 GLY H H 102 8.671 8.671 7.806 0.865 25776 359 1 . 1 1 103 103 GLY N N 103 111.298 111.298 111.445 -0.147 25776 360 1 . 1 1 103 103 GLY C C 103 174.054 174.054 173.927 0.127 25776 361 1 . 1 1 103 103 GLY CA C 103 46.820 46.820 45.020 1.800 25776 362 1 . 1 1 103 103 GLY H H 103 9.436 9.436 8.480 0.956 25776 363 1 . 1 1 104 104 THR N N 104 109.330 109.330 113.563 -4.233 25776 364 1 . 1 1 104 104 THR C C 104 174.248 174.248 174.106 0.142 25776 365 1 . 1 1 104 104 THR CA C 104 61.454 61.454 60.486 0.968 25776 366 1 . 1 1 104 104 THR CB C 104 72.711 72.711 69.999 2.712 25776 367 1 . 1 1 104 104 THR H H 104 7.321 7.321 7.640 -0.319 25776 368 1 . 1 1 105 105 ASN C C 105 175.032 175.032 174.927 0.105 25776 369 1 . 1 1 105 105 ASN CA C 105 53.413 53.413 53.216 0.197 25776 370 1 . 1 1 105 105 ASN CB C 105 38.843 38.843 38.432 0.411 25776 371 1 . 1 1 106 106 SER N N 106 113.116 113.116 115.415 -2.299 25776 372 1 . 1 1 106 106 SER C C 106 175.961 175.961 174.590 1.371 25776 373 1 . 1 1 106 106 SER CA C 106 59.289 59.289 58.210 1.079 25776 374 1 . 1 1 106 106 SER CB C 106 65.208 65.208 63.813 1.395 25776 375 1 . 1 1 106 106 SER H H 106 7.487 7.487 7.542 -0.055 25776 376 1 . 1 1 107 107 ALA N N 107 132.317 132.317 126.083 6.234 25776 377 1 . 1 1 107 107 ALA C C 107 176.554 176.554 177.068 -0.514 25776 378 1 . 1 1 107 107 ALA CA C 107 54.999 54.999 53.029 1.970 25776 379 1 . 1 1 107 107 ALA CB C 107 19.530 19.530 19.092 0.438 25776 380 1 . 1 1 107 107 ALA H H 107 8.891 8.891 8.422 0.469 25776 381 1 . 1 1 108 108 PHE N N 108 116.265 116.265 115.964 0.301 25776 382 1 . 1 1 108 108 PHE C C 108 174.254 174.254 174.976 -0.722 25776 383 1 . 1 1 108 108 PHE CA C 108 56.664 56.664 56.289 0.375 25776 384 1 . 1 1 108 108 PHE CB C 108 41.235 41.235 39.914 1.321 25776 385 1 . 1 1 108 108 PHE H H 108 7.592 7.592 7.479 0.113 25776 386 1 . 1 1 109 109 GLN N N 109 128.401 128.401 122.647 5.754 25776 387 1 . 1 1 109 109 GLN C C 109 172.298 172.298 174.219 -1.921 25776 388 1 . 1 1 109 109 GLN CA C 109 52.937 52.937 53.035 -0.098 25776 389 1 . 1 1 109 109 GLN CB C 109 29.980 29.980 30.014 -0.034 25776 390 1 . 1 1 109 109 GLN H H 109 9.095 9.095 8.590 0.505 25776 391 1 . 1 1 110 110 PRO C C 110 175.005 175.005 175.733 -0.728 25776 392 1 . 1 1 110 110 PRO CA C 110 62.224 62.224 62.724 -0.500 25776 393 1 . 1 1 110 110 PRO CB C 110 34.129 34.129 32.448 1.681 25776 394 1 . 1 1 111 111 TYR N N 111 115.731 115.731 117.814 -2.083 25776 395 1 . 1 1 111 111 TYR C C 111 173.783 173.783 173.704 0.079 25776 396 1 . 1 1 111 111 TYR CA C 111 57.072 57.072 56.568 0.504 25776 397 1 . 1 1 111 111 TYR CB C 111 39.435 39.435 41.564 -2.129 25776 398 1 . 1 1 111 111 TYR H H 111 8.510 8.510 8.396 0.114 25776 399 1 . 1 1 112 112 GLY N N 112 103.737 103.737 107.555 -3.818 25776 400 1 . 1 1 112 112 GLY C C 112 172.014 172.014 172.291 -0.277 25776 401 1 . 1 1 112 112 GLY CA C 112 44.644 44.644 44.030 0.614 25776 402 1 . 1 1 112 112 GLY H H 112 8.149 8.149 8.517 -0.368 25776 403 1 . 1 1 113 113 GLY N N 113 108.372 108.372 108.685 -0.313 25776 404 1 . 1 1 113 113 GLY C C 113 171.486 171.486 172.060 -0.574 25776 405 1 . 1 1 113 113 GLY CA C 113 46.840 46.840 45.366 1.474 25776 406 1 . 1 1 113 113 GLY H H 113 9.028 9.028 8.692 0.336 25776 407 1 . 1 1 114 114 LEU N N 114 120.469 120.469 118.141 2.328 25776 408 1 . 1 1 114 114 LEU C C 114 175.878 175.878 175.156 0.722 25776 409 1 . 1 1 114 114 LEU CA C 114 54.611 54.611 53.763 0.848 25776 410 1 . 1 1 114 114 LEU CB C 114 48.977 48.977 45.896 3.081 25776 411 1 . 1 1 114 114 LEU H H 114 8.741 8.741 7.905 0.836 25776 412 1 . 1 1 115 115 GLY N N 115 111.145 111.145 106.934 4.211 25776 413 1 . 1 1 115 115 GLY C C 115 171.336 171.336 172.077 -0.741 25776 414 1 . 1 1 115 115 GLY CA C 115 47.855 47.855 45.564 2.291 25776 415 1 . 1 1 115 115 GLY H H 115 8.952 8.952 8.499 0.453 25776 416 1 . 1 1 116 116 VAL N N 116 118.641 118.641 116.065 2.576 25776 417 1 . 1 1 116 116 VAL C C 116 172.617 172.617 173.809 -1.192 25776 418 1 . 1 1 116 116 VAL CA C 116 60.716 60.716 59.719 0.997 25776 419 1 . 1 1 116 116 VAL CB C 116 37.372 37.372 35.212 2.160 25776 420 1 . 1 1 116 116 VAL H H 116 8.844 8.844 8.473 0.371 25776 421 1 . 1 1 117 117 ASN N N 117 123.839 123.839 121.468 2.371 25776 422 1 . 1 1 117 117 ASN C C 117 171.105 171.105 173.445 -2.340 25776 423 1 . 1 1 117 117 ASN CA C 117 52.942 52.942 52.296 0.646 25776 424 1 . 1 1 117 117 ASN CB C 117 44.578 44.578 41.805 2.773 25776 425 1 . 1 1 117 117 ASN H H 117 9.647 9.647 8.576 1.071 25776 426 1 . 1 1 118 118 TYR N N 118 125.160 125.160 124.825 0.335 25776 427 1 . 1 1 118 118 TYR C C 118 174.349 174.349 174.044 0.305 25776 428 1 . 1 1 118 118 TYR CA C 118 56.557 56.557 56.724 -0.167 25776 429 1 . 1 1 118 118 TYR CB C 118 42.564 42.564 41.750 0.814 25776 430 1 . 1 1 118 118 TYR H H 118 8.989 8.989 8.221 0.768 25776 431 1 . 1 1 119 119 THR N N 119 124.319 124.319 118.976 5.343 25776 432 1 . 1 1 119 119 THR C C 119 171.231 171.231 173.721 -2.490 25776 433 1 . 1 1 119 119 THR CA C 119 62.951 62.951 60.785 2.166 25776 434 1 . 1 1 119 119 THR CB C 119 72.427 72.427 70.335 2.092 25776 435 1 . 1 1 119 119 THR H H 119 8.806 8.806 8.274 0.532 25776 436 1 . 1 1 120 120 THR N N 120 119.978 119.978 119.753 0.225 25776 437 1 . 1 1 120 120 THR C C 120 171.174 171.174 173.598 -2.424 25776 438 1 . 1 1 120 120 THR CA C 120 59.197 59.197 61.408 -2.211 25776 439 1 . 1 1 120 120 THR CB C 120 72.088 72.088 70.094 1.994 25776 440 1 . 1 1 120 120 THR H H 120 7.559 7.559 8.331 -0.772 25776 441 1 . 1 1 121 121 PHE C C 121 175.289 175.289 174.541 0.748 25776 442 1 . 1 1 121 121 PHE CB C 121 44.369 44.369 41.268 3.101 25776 443 1 . 1 1 122 122 PHE N N 122 117.578 117.578 122.525 -4.946 25776 444 1 . 1 1 122 122 PHE C C 122 172.555 172.555 175.235 -2.680 25776 445 1 . 1 1 122 122 PHE CA C 122 56.884 56.884 57.855 -0.971 25776 446 1 . 1 1 122 122 PHE CB C 122 40.231 40.231 40.365 -0.134 25776 447 1 . 1 1 122 122 PHE H H 122 8.541 8.541 8.383 0.158 25776 448 1 . 1 1 123 123 ASP N N 123 116.448 116.448 121.188 -4.740 25776 449 1 . 1 1 123 123 ASP C C 123 175.240 175.240 175.393 -0.153 25776 450 1 . 1 1 123 123 ASP CA C 123 55.834 55.834 54.265 1.569 25776 451 1 . 1 1 123 123 ASP CB C 123 39.844 39.844 41.836 -1.992 25776 452 1 . 1 1 123 123 ASP H H 123 8.940 8.940 8.418 0.522 25776 453 1 . 1 1 124 124 GLU C C 124 177.545 177.545 175.945 1.600 25776 454 1 . 1 1 124 124 GLU CA C 124 59.890 59.890 56.639 3.251 25776 455 1 . 1 1 124 124 GLU CB C 124 29.458 29.458 30.922 -1.464 25776 456 1 . 1 1 125 125 ASP N N 125 126.424 126.424 121.582 4.842 25776 457 1 . 1 1 125 125 ASP C C 125 176.191 176.191 176.513 -0.322 25776 458 1 . 1 1 125 125 ASP CA C 125 54.011 54.011 54.559 -0.548 25776 459 1 . 1 1 125 125 ASP CB C 125 43.549 43.549 41.244 2.305 25776 460 1 . 1 1 125 125 ASP H H 125 9.100 9.100 8.521 0.579 25776 461 1 . 1 1 126 126 LEU N N 126 127.990 127.990 120.336 7.654 25776 462 1 . 1 1 126 126 LEU C C 126 175.808 175.808 176.051 -0.243 25776 463 1 . 1 1 126 126 LEU CA C 126 56.268 56.268 54.999 1.269 25776 464 1 . 1 1 126 126 LEU CB C 126 44.856 44.856 42.454 2.402 25776 465 1 . 1 1 126 126 LEU H H 126 8.570 8.570 7.771 0.799 25776 466 1 . 1 1 127 127 ALA N N 127 124.126 124.126 123.823 0.303 25776 467 1 . 1 1 127 127 ALA C C 127 179.833 179.833 176.955 2.878 25776 468 1 . 1 1 127 127 ALA CA C 127 52.721 52.721 52.154 0.567 25776 469 1 . 1 1 127 127 ALA CB C 127 20.059 20.059 19.509 0.550 25776 470 1 . 1 1 127 127 ALA H H 127 7.885 7.885 8.109 -0.224 25776 471 1 . 1 1 129 129 ASN C C 129 176.927 176.927 175.791 1.136 25776 472 1 . 1 1 129 129 ASN CB C 129 37.473 37.473 39.142 -1.669 25776 473 1 . 1 1 130 130 ARG N N 130 117.748 117.748 122.779 -5.031 25776 474 1 . 1 1 130 130 ARG C C 130 179.430 179.430 177.767 1.663 25776 475 1 . 1 1 130 130 ARG CA C 130 56.843 56.843 58.942 -2.099 25776 476 1 . 1 1 130 130 ARG CB C 130 30.326 30.326 30.436 -0.110 25776 477 1 . 1 1 130 130 ARG H H 130 7.435 7.435 8.556 -1.121 25776 478 1 . 1 1 131 131 LYS N N 131 122.261 122.261 119.552 2.709 25776 479 1 . 1 1 131 131 LYS C C 131 180.937 180.937 178.089 2.848 25776 480 1 . 1 1 131 131 LYS CA C 131 60.461 60.461 58.578 1.883 25776 481 1 . 1 1 131 131 LYS CB C 131 32.911 32.911 31.974 0.937 25776 482 1 . 1 1 131 131 LYS H H 131 7.945 7.945 8.335 -0.390 25776 483 1 . 1 1 132 132 ALA N N 132 122.083 122.083 121.001 1.082 25776 484 1 . 1 1 132 132 ALA C C 132 178.748 178.748 179.043 -0.295 25776 485 1 . 1 1 132 132 ALA CA C 132 55.369 55.369 54.232 1.137 25776 486 1 . 1 1 132 132 ALA CB C 132 19.129 19.129 18.188 0.941 25776 487 1 . 1 1 132 132 ALA H H 132 7.770 7.770 8.017 -0.247 25776 488 1 . 1 1 133 133 GLN N N 133 116.102 116.102 117.290 -1.188 25776 489 1 . 1 1 133 133 GLN C C 133 175.525 175.525 176.802 -1.277 25776 490 1 . 1 1 133 133 GLN CA C 133 57.098 57.098 56.007 1.091 25776 491 1 . 1 1 133 133 GLN CB C 133 30.355 30.355 29.497 0.858 25776 492 1 . 1 1 133 133 GLN H H 133 7.302 7.302 7.805 -0.503 25776 493 1 . 1 1 134 134 GLY N N 134 104.444 104.444 107.779 -3.335 25776 494 1 . 1 1 134 134 GLY C C 134 174.460 174.460 174.120 0.340 25776 495 1 . 1 1 134 134 GLY CA C 134 45.882 45.882 45.252 0.630 25776 496 1 . 1 1 134 134 GLY H H 134 7.596 7.596 7.856 -0.260 25776 497 1 . 1 1 135 135 PHE N N 135 119.775 119.775 119.561 0.214 25776 498 1 . 1 1 135 135 PHE C C 135 174.922 174.922 175.407 -0.485 25776 499 1 . 1 1 135 135 PHE CA C 135 58.894 58.894 56.902 1.992 25776 500 1 . 1 1 135 135 PHE CB C 135 40.291 40.291 40.029 0.262 25776 501 1 . 1 1 135 135 PHE H H 135 7.737 7.737 7.758 -0.021 25776 502 1 . 1 1 136 136 SER N N 136 115.673 115.673 118.700 -3.027 25776 503 1 . 1 1 136 136 SER C C 136 174.415 174.415 174.271 0.144 25776 504 1 . 1 1 136 136 SER CA C 136 59.679 59.679 59.078 0.601 25776 505 1 . 1 1 136 136 SER CB C 136 66.246 66.246 63.959 2.287 25776 506 1 . 1 1 136 136 SER H H 136 8.862 8.862 8.669 0.193 25776 507 1 . 1 1 137 137 SER N N 137 114.341 114.341 115.575 -1.234 25776 508 1 . 1 1 137 137 SER C C 137 172.164 172.164 173.716 -1.552 25776 509 1 . 1 1 137 137 SER CA C 137 58.955 58.955 57.712 1.243 25776 510 1 . 1 1 137 137 SER CB C 137 65.592 65.592 64.593 0.999 25776 511 1 . 1 1 137 137 SER H H 137 7.912 7.912 7.938 -0.026 25776 512 1 . 1 1 138 138 MET N N 138 120.555 120.555 120.844 -0.289 25776 513 1 . 1 1 138 138 MET C C 138 173.189 173.189 175.527 -2.337 25776 514 1 . 1 1 138 138 MET CA C 138 55.879 55.879 55.997 -0.118 25776 515 1 . 1 1 138 138 MET CB C 138 36.962 36.962 33.360 3.602 25776 516 1 . 1 1 138 138 MET H H 138 8.461 8.461 8.522 -0.061 25776 517 1 . 1 1 141 141 GLN C C 141 176.182 176.182 175.211 0.971 25776 518 1 . 1 1 141 141 GLN CB C 141 31.435 31.435 29.296 2.139 25776 519 1 . 1 1 142 142 ASP N N 142 124.414 124.414 121.013 3.401 25776 520 1 . 1 1 142 142 ASP C C 142 175.702 175.702 175.122 0.580 25776 521 1 . 1 1 142 142 ASP CA C 142 56.307 56.307 54.456 1.851 25776 522 1 . 1 1 142 142 ASP CB C 142 41.738 41.738 41.722 0.016 25776 523 1 . 1 1 142 142 ASP H H 142 8.728 8.728 8.624 0.104 25776 524 1 . 1 1 143 143 SER N N 143 114.920 114.920 116.101 -1.181 25776 525 1 . 1 1 143 143 SER C C 143 172.289 172.289 173.108 -0.819 25776 526 1 . 1 1 143 143 SER CA C 143 57.652 57.652 57.976 -0.324 25776 527 1 . 1 1 143 143 SER CB C 143 66.215 66.215 64.359 1.856 25776 528 1 . 1 1 143 143 SER H H 143 8.703 8.703 8.153 0.550 25776 529 1 . 1 1 144 144 TRP N N 144 126.444 126.444 123.156 3.288 25776 530 1 . 1 1 144 144 TRP C C 144 177.307 177.307 174.964 2.343 25776 531 1 . 1 1 144 144 TRP CA C 144 56.875 56.875 56.109 0.766 25776 532 1 . 1 1 144 144 TRP CB C 144 33.364 33.364 31.168 2.196 25776 533 1 . 1 1 144 144 TRP H H 144 8.101 8.101 7.908 0.193 25776 534 1 . 1 1 145 145 GLY N N 145 108.757 108.757 108.664 0.093 25776 535 1 . 1 1 145 145 GLY C C 145 171.985 171.985 172.514 -0.529 25776 536 1 . 1 1 145 145 GLY CA C 145 46.548 46.548 44.012 2.536 25776 537 1 . 1 1 145 145 GLY H H 145 8.889 8.889 8.191 0.698 25776 538 1 . 1 1 146 146 LEU N N 146 121.579 121.579 121.062 0.517 25776 539 1 . 1 1 146 146 LEU C C 146 174.909 174.909 176.137 -1.228 25776 540 1 . 1 1 146 146 LEU CA C 146 56.175 56.175 54.894 1.281 25776 541 1 . 1 1 146 146 LEU CB C 146 45.163 45.163 43.278 1.885 25776 542 1 . 1 1 146 146 LEU H H 146 9.035 9.035 8.411 0.624 25776 543 1 . 1 1 147 147 ALA N N 147 121.342 121.342 124.919 -3.577 25776 544 1 . 1 1 147 147 ALA C C 147 175.588 175.588 176.225 -0.637 25776 545 1 . 1 1 147 147 ALA CA C 147 50.934 50.934 50.173 0.762 25776 546 1 . 1 1 147 147 ALA CB C 147 25.105 25.105 22.723 2.382 25776 547 1 . 1 1 147 147 ALA H H 147 8.123 8.123 8.823 -0.700 25776 548 1 . 1 1 148 148 GLY N N 148 106.598 106.598 106.746 -0.148 25776 549 1 . 1 1 148 148 GLY C C 148 171.829 171.829 171.989 -0.160 25776 550 1 . 1 1 148 148 GLY CA C 148 44.748 44.748 44.605 0.143 25776 551 1 . 1 1 148 148 GLY H H 148 9.216 9.216 8.097 1.119 25776 552 1 . 1 1 149 149 GLU N N 149 122.775 122.775 121.618 1.157 25776 553 1 . 1 1 149 149 GLU C C 149 174.078 174.078 174.292 -0.214 25776 554 1 . 1 1 149 149 GLU CA C 149 55.802 55.802 55.273 0.529 25776 555 1 . 1 1 149 149 GLU CB C 149 38.415 38.415 33.740 4.675 25776 556 1 . 1 1 149 149 GLU H H 149 8.493 8.493 8.306 0.187 25776 557 1 . 1 1 150 150 LEU N N 150 126.310 126.310 125.156 1.154 25776 558 1 . 1 1 150 150 LEU C C 150 174.309 174.309 174.921 -0.612 25776 559 1 . 1 1 150 150 LEU CA C 150 54.942 54.942 54.271 0.671 25776 560 1 . 1 1 150 150 LEU CB C 150 48.491 48.491 45.585 2.906 25776 561 1 . 1 1 150 150 LEU H H 150 8.580 8.580 8.027 0.553 25776 562 1 . 1 1 151 151 GLY N N 151 109.909 109.909 111.470 -1.561 25776 563 1 . 1 1 151 151 GLY C C 151 170.538 170.538 171.561 -1.023 25776 564 1 . 1 1 151 151 GLY CA C 151 46.620 46.620 45.943 0.677 25776 565 1 . 1 1 151 151 GLY H H 151 8.115 8.115 8.389 -0.273 25776 566 1 . 1 1 152 152 PHE N N 152 111.012 111.012 115.178 -4.166 25776 567 1 . 1 1 152 152 PHE C C 152 171.455 171.455 173.433 -1.978 25776 568 1 . 1 1 152 152 PHE CA C 152 58.712 58.712 56.435 2.277 25776 569 1 . 1 1 152 152 PHE CB C 152 42.495 42.495 42.481 0.014 25776 570 1 . 1 1 152 152 PHE H H 152 8.365 8.365 8.677 -0.312 25776 571 1 . 1 1 153 153 ASP N N 153 119.057 119.057 121.207 -2.150 25776 572 1 . 1 1 153 153 ASP C C 153 176.522 176.522 175.032 1.490 25776 573 1 . 1 1 153 153 ASP CA C 153 53.466 53.466 53.647 -0.181 25776 574 1 . 1 1 153 153 ASP CB C 153 45.097 45.097 43.367 1.730 25776 575 1 . 1 1 153 153 ASP H H 153 8.014 8.014 8.765 -0.751 25776 576 1 . 1 1 154 154 TYR N N 154 123.640 123.640 126.284 -2.644 25776 577 1 . 1 1 154 154 TYR C C 154 175.593 175.593 174.876 0.717 25776 578 1 . 1 1 154 154 TYR CA C 154 57.888 57.888 56.980 0.908 25776 579 1 . 1 1 154 154 TYR CB C 154 42.822 42.822 38.665 4.157 25776 580 1 . 1 1 154 154 TYR H H 154 9.744 9.744 8.491 1.253 25776 581 1 . 1 1 155 155 MET N N 155 126.409 126.409 121.755 4.654 25776 582 1 . 1 1 155 155 MET C C 155 174.938 174.938 175.341 -0.403 25776 583 1 . 1 1 155 155 MET CA C 155 55.410 55.410 55.787 -0.377 25776 584 1 . 1 1 155 155 MET CB C 155 29.170 29.170 33.274 -4.104 25776 585 1 . 1 1 155 155 MET H H 155 8.659 8.659 8.170 0.489 25776 586 1 . 1 1 156 156 LEU N N 156 125.396 125.396 123.910 1.486 25776 587 1 . 1 1 156 156 LEU C C 156 177.567 177.567 177.731 -0.164 25776 588 1 . 1 1 156 156 LEU CA C 156 56.573 56.573 55.442 1.131 25776 589 1 . 1 1 156 156 LEU CB C 156 43.912 43.912 42.994 0.918 25776 590 1 . 1 1 156 156 LEU H H 156 9.232 9.232 8.477 0.755 25776 591 1 . 1 1 157 157 ASN N N 157 114.903 114.903 114.799 0.104 25776 592 1 . 1 1 157 157 ASN C C 157 173.568 173.568 175.783 -2.215 25776 593 1 . 1 1 157 157 ASN CA C 157 53.192 53.192 54.984 -1.792 25776 594 1 . 1 1 157 157 ASN CB C 157 37.911 37.911 37.168 0.743 25776 595 1 . 1 1 157 157 ASN H H 157 8.099 8.099 8.087 0.012 25776 596 1 . 1 1 158 158 GLU N N 158 114.724 114.724 118.216 -3.492 25776 597 1 . 1 1 158 158 GLU C C 158 176.032 176.032 177.410 -1.378 25776 598 1 . 1 1 158 158 GLU CA C 158 60.678 60.678 58.125 2.553 25776 599 1 . 1 1 158 158 GLU CB C 158 30.515 30.515 30.357 0.158 25776 600 1 . 1 1 158 158 GLU H H 158 8.625 8.625 8.672 -0.047 25776 601 1 . 1 1 159 159 HIS N N 159 111.022 111.022 114.878 -3.856 25776 602 1 . 1 1 159 159 HIS C C 159 173.158 173.158 173.937 -0.779 25776 603 1 . 1 1 159 159 HIS CA C 159 57.436 57.436 56.446 0.990 25776 604 1 . 1 1 159 159 HIS CB C 159 33.392 33.392 32.043 1.349 25776 605 1 . 1 1 159 159 HIS H H 159 8.201 8.201 8.102 0.099 25776 606 1 . 1 1 160 160 ALA N N 160 122.967 122.967 120.414 2.553 25776 607 1 . 1 1 160 160 ALA C C 160 176.212 176.212 174.933 1.279 25776 608 1 . 1 1 160 160 ALA CA C 160 52.322 52.322 51.579 0.743 25776 609 1 . 1 1 160 160 ALA CB C 160 22.426 22.426 20.976 1.450 25776 610 1 . 1 1 160 160 ALA H H 160 8.389 8.389 7.478 0.911 25776 611 1 . 1 1 161 161 LEU N N 161 116.648 116.648 116.187 0.462 25776 612 1 . 1 1 161 161 LEU C C 161 174.922 174.922 175.358 -0.436 25776 613 1 . 1 1 161 161 LEU CA C 161 54.885 54.885 53.800 1.085 25776 614 1 . 1 1 161 161 LEU CB C 161 46.495 46.495 44.817 1.678 25776 615 1 . 1 1 161 161 LEU H H 161 8.616 8.616 8.275 0.341 25776 616 1 . 1 1 162 162 PHE N N 162 121.938 121.938 119.594 2.344 25776 617 1 . 1 1 162 162 PHE C C 162 171.989 171.989 174.469 -2.480 25776 618 1 . 1 1 162 162 PHE CA C 162 57.018 57.018 56.637 0.381 25776 619 1 . 1 1 162 162 PHE CB C 162 44.089 44.089 42.740 1.349 25776 620 1 . 1 1 162 162 PHE H H 162 9.221 9.221 8.506 0.715 25776 621 1 . 1 1 163 163 ASN N N 163 127.932 127.932 123.044 4.888 25776 622 1 . 1 1 163 163 ASN C C 163 171.357 171.357 173.571 -2.214 25776 623 1 . 1 1 163 163 ASN CA C 163 52.949 52.949 52.813 0.136 25776 624 1 . 1 1 163 163 ASN CB C 163 47.040 47.040 41.520 5.520 25776 625 1 . 1 1 163 163 ASN H H 163 7.735 7.735 8.409 -0.674 25776 626 1 . 1 1 164 164 MET N N 164 120.121 120.121 123.974 -3.853 25776 627 1 . 1 1 164 164 MET C C 164 172.837 172.837 173.550 -0.713 25776 628 1 . 1 1 164 164 MET CA C 164 55.914 55.914 54.465 1.449 25776 629 1 . 1 1 164 164 MET CB C 164 38.643 38.643 36.443 2.200 25776 630 1 . 1 1 164 164 MET H H 164 7.092 7.092 8.718 -1.626 25776 631 1 . 1 1 165 165 ALA N N 165 120.745 120.745 125.402 -4.657 25776 632 1 . 1 1 165 165 ALA C C 165 174.047 174.047 174.398 -0.351 25776 633 1 . 1 1 165 165 ALA CA C 165 52.414 52.414 51.370 1.044 25776 634 1 . 1 1 165 165 ALA CB C 165 23.143 23.143 22.613 0.530 25776 635 1 . 1 1 165 165 ALA H H 165 8.370 8.370 8.668 -0.298 25776 636 1 . 1 1 166 166 VAL N N 166 118.385 118.385 117.200 1.185 25776 637 1 . 1 1 166 166 VAL C C 166 172.556 172.556 174.894 -2.338 25776 638 1 . 1 1 166 166 VAL CA C 166 60.628 60.628 61.177 -0.549 25776 639 1 . 1 1 166 166 VAL CB C 166 36.127 36.127 33.005 3.122 25776 640 1 . 1 1 166 166 VAL H H 166 8.723 8.723 8.430 0.293 25776 641 1 . 1 1 167 167 TRP N N 167 123.258 123.258 128.733 -5.474 25776 642 1 . 1 1 167 167 TRP C C 167 174.016 174.016 175.325 -1.309 25776 643 1 . 1 1 167 167 TRP CA C 167 57.604 57.604 55.688 1.916 25776 644 1 . 1 1 167 167 TRP CB C 167 33.659 33.659 30.809 2.850 25776 645 1 . 1 1 167 167 TRP H H 167 9.312 9.312 8.304 1.008 25776 646 1 . 1 1 168 168 TYR N N 168 121.455 121.455 126.188 -4.733 25776 647 1 . 1 1 168 168 TYR C C 168 175.110 175.110 174.834 0.276 25776 648 1 . 1 1 168 168 TYR CA C 168 57.186 57.186 57.922 -0.736 25776 649 1 . 1 1 168 168 TYR CB C 168 42.440 42.440 40.739 1.701 25776 650 1 . 1 1 168 168 TYR H H 168 8.398 8.398 8.354 0.044 25776 651 1 . 1 1 169 169 MET N N 169 124.800 124.800 123.582 1.218 25776 652 1 . 1 1 169 169 MET C C 169 172.688 172.688 175.007 -2.319 25776 653 1 . 1 1 169 169 MET CA C 169 55.640 55.640 55.069 0.571 25776 654 1 . 1 1 169 169 MET CB C 169 34.143 34.143 33.955 0.188 25776 655 1 . 1 1 169 169 MET H H 169 8.131 8.131 8.273 -0.142 25776 656 1 . 1 1 170 170 ASP N N 170 122.780 122.780 122.826 -0.046 25776 657 1 . 1 1 170 170 ASP C C 170 174.864 174.864 175.411 -0.547 25776 658 1 . 1 1 170 170 ASP CA C 170 54.883 54.883 53.540 1.343 25776 659 1 . 1 1 170 170 ASP CB C 170 41.678 41.678 42.604 -0.926 25776 660 1 . 1 1 170 170 ASP H H 170 8.191 8.191 8.332 -0.141 25776 661 1 . 1 1 171 171 ILE N N 171 127.252 127.252 120.502 6.750 25776 662 1 . 1 1 171 171 ILE C C 171 174.476 174.476 174.981 -0.505 25776 663 1 . 1 1 171 171 ILE CA C 171 60.943 60.943 60.926 0.017 25776 664 1 . 1 1 171 171 ILE CB C 171 40.521 40.521 39.011 1.510 25776 665 1 . 1 1 171 171 ILE H H 171 7.805 7.805 8.268 -0.463 25776 666 1 . 1 1 172 172 ASP N N 172 129.369 129.369 127.041 2.328 25776 667 1 . 1 1 172 172 ASP C C 172 174.520 174.520 175.671 -1.151 25776 668 1 . 1 1 172 172 ASP CA C 172 53.801 53.801 53.558 0.243 25776 669 1 . 1 1 172 172 ASP CB C 172 43.089 43.089 42.468 0.621 25776 670 1 . 1 1 172 172 ASP H H 172 8.541 8.541 8.488 0.053 25776 671 1 . 1 1 173 173 THR N N 173 118.920 118.920 115.323 3.597 25776 672 1 . 1 1 173 173 THR C C 173 172.170 172.170 174.446 -2.276 25776 673 1 . 1 1 173 173 THR CA C 173 60.936 60.936 61.800 -0.865 25776 674 1 . 1 1 173 173 THR CB C 173 70.002 70.002 69.940 0.062 25776 675 1 . 1 1 173 173 THR H H 173 8.814 8.814 8.209 0.605 25776 676 1 . 1 1 176 176 SER C C 176 174.672 174.672 174.190 0.482 25776 677 1 . 1 1 176 176 SER CA C 176 58.834 58.834 58.366 0.468 25776 678 1 . 1 1 176 176 SER CB C 176 64.984 64.984 63.629 1.355 25776 679 1 . 1 1 177 177 ILE N N 177 121.645 121.645 121.302 0.343 25776 680 1 . 1 1 177 177 ILE C C 177 174.945 174.945 175.078 -0.133 25776 681 1 . 1 1 177 177 ILE CA C 177 62.346 62.346 60.881 1.465 25776 682 1 . 1 1 177 177 ILE CB C 177 40.139 40.139 38.543 1.596 25776 683 1 . 1 1 177 177 ILE H H 177 7.993 7.993 8.009 -0.016 25776 684 1 . 1 1 178 178 ASN N N 178 127.223 127.223 122.743 4.480 25776 685 1 . 1 1 178 178 ASN C C 178 179.120 179.120 175.196 3.924 25776 686 1 . 1 1 178 178 ASN CA C 178 55.663 55.663 53.222 2.441 25776 687 1 . 1 1 178 178 ASN CB C 178 41.919 41.919 38.943 2.976 25776 688 1 . 1 1 178 178 ASN H H 178 7.882 7.882 8.385 -0.503 25776 689 1 . 1 1 182 182 ALA N N 182 124.095 124.095 125.119 -1.024 25776 690 1 . 1 1 182 182 ALA C C 182 177.680 177.680 176.246 1.434 25776 691 1 . 1 1 182 182 ALA CA C 182 54.216 54.216 51.856 2.360 25776 692 1 . 1 1 182 182 ALA CB C 182 19.769 19.769 19.693 0.076 25776 693 1 . 1 1 182 182 ALA H H 182 8.100 8.100 8.032 0.068 25776 694 1 . 1 1 183 183 LEU N N 183 118.394 118.394 120.445 -2.051 25776 695 1 . 1 1 183 183 LEU C C 183 177.352 177.352 176.517 0.835 25776 696 1 . 1 1 183 183 LEU CA C 183 55.827 55.827 55.096 0.731 25776 697 1 . 1 1 183 183 LEU CB C 183 43.184 43.184 43.020 0.164 25776 698 1 . 1 1 183 183 LEU H H 183 7.854 7.854 8.315 -0.461 25776 699 1 . 1 1 184 184 GLY N N 184 107.897 107.897 109.945 -2.048 25776 700 1 . 1 1 184 184 GLY C C 184 174.288 174.288 173.614 0.674 25776 701 1 . 1 1 184 184 GLY CA C 184 46.676 46.676 44.969 1.707 25776 702 1 . 1 1 184 184 GLY H H 184 7.883 7.883 8.262 -0.379 25776 703 1 . 1 1 185 185 VAL N N 185 118.254 118.254 119.334 -1.080 25776 704 1 . 1 1 185 185 VAL C C 185 175.475 175.475 175.334 0.141 25776 705 1 . 1 1 185 185 VAL CA C 185 63.048 63.048 61.935 1.113 25776 706 1 . 1 1 185 185 VAL CB C 185 33.471 33.471 32.166 1.305 25776 707 1 . 1 1 185 185 VAL H H 185 7.676 7.676 8.124 -0.448 25776 708 1 . 1 1 186 186 ASN N N 186 121.756 121.756 120.713 1.043 25776 709 1 . 1 1 186 186 ASN C C 186 174.724 174.724 174.725 -0.001 25776 710 1 . 1 1 186 186 ASN CA C 186 54.593 54.593 53.453 1.140 25776 711 1 . 1 1 186 186 ASN CB C 186 39.898 39.898 39.309 0.589 25776 712 1 . 1 1 186 186 ASN H H 186 8.331 8.331 8.401 -0.070 25776 713 1 . 1 1 187 187 LYS N N 187 120.959 120.959 120.291 0.668 25776 714 1 . 1 1 187 187 LYS C C 187 174.652 174.652 175.576 -0.924 25776 715 1 . 1 1 187 187 LYS CA C 187 57.198 57.198 56.465 0.733 25776 716 1 . 1 1 187 187 LYS CB C 187 34.043 34.043 33.215 0.828 25776 717 1 . 1 1 187 187 LYS H H 187 8.031 8.031 8.285 -0.254 25776 718 1 . 1 1 189 189 LYS C C 189 176.088 176.088 175.749 0.339 25776 719 1 . 1 1 189 189 LYS CA C 189 57.442 57.442 56.281 1.161 25776 720 1 . 1 1 190 190 VAL N N 190 121.122 121.122 120.495 0.627 25776 721 1 . 1 1 190 190 VAL C C 190 175.545 175.545 175.064 0.481 25776 722 1 . 1 1 190 190 VAL CA C 190 63.121 63.121 62.410 0.711 25776 723 1 . 1 1 190 190 VAL CB C 190 33.948 33.948 32.478 1.470 25776 724 1 . 1 1 190 190 VAL H H 190 8.067 8.067 8.151 -0.084 25776 725 1 . 1 1 191 191 ASP N N 191 124.022 124.022 123.473 0.549 25776 726 1 . 1 1 191 191 ASP C C 191 175.710 175.710 175.804 -0.094 25776 727 1 . 1 1 191 191 ASP CA C 191 55.269 55.269 54.194 1.075 25776 728 1 . 1 1 191 191 ASP CB C 191 41.978 41.978 41.814 0.164 25776 729 1 . 1 1 191 191 ASP H H 191 8.282 8.282 8.365 -0.083 25776 730 1 . 1 1 192 192 VAL N N 192 118.928 118.928 120.565 -1.637 25776 731 1 . 1 1 192 192 VAL C C 192 175.433 175.433 175.337 0.096 25776 732 1 . 1 1 192 192 VAL CA C 192 62.820 62.820 62.361 0.459 25776 733 1 . 1 1 192 192 VAL CB C 192 34.105 34.105 32.776 1.329 25776 734 1 . 1 1 192 192 VAL H H 192 7.877 7.877 8.024 -0.147 25776 735 1 . 1 1 193 193 ASP N N 193 124.364 124.364 124.182 0.182 25776 736 1 . 1 1 193 193 ASP C C 193 176.118 176.118 175.672 0.446 25776 737 1 . 1 1 193 193 ASP CA C 193 55.211 55.211 54.623 0.588 25776 738 1 . 1 1 193 193 ASP CB C 193 42.033 42.033 41.608 0.425 25776 739 1 . 1 1 193 193 ASP H H 193 8.335 8.335 8.448 -0.113 25776 740 1 . 1 1 198 198 VAL N N 198 126.400 126.400 120.677 5.723 25776 741 1 . 1 1 198 198 VAL C C 198 174.600 174.600 174.437 0.163 25776 742 1 . 1 1 198 198 VAL CA C 198 60.440 60.440 61.583 -1.143 25776 743 1 . 1 1 198 198 VAL CB C 198 35.100 35.100 33.063 2.037 25776 744 1 . 1 1 198 198 VAL H H 198 8.474 8.474 8.208 0.266 25776 745 1 . 1 1 199 199 TYR N N 199 123.900 123.900 124.107 -0.207 25776 746 1 . 1 1 199 199 TYR C C 199 173.600 173.600 174.520 -0.920 25776 747 1 . 1 1 199 199 TYR CA C 199 55.510 55.510 56.813 -1.303 25776 748 1 . 1 1 199 199 TYR CB C 199 40.630 40.630 41.062 -0.432 25776 749 1 . 1 1 199 199 TYR H H 199 8.748 8.748 8.187 0.561 25776 750 1 . 1 1 200 200 MET N N 200 123.700 123.700 123.585 0.114 25776 751 1 . 1 1 200 200 MET CA C 200 49.420 49.420 54.191 -4.771 25776 752 1 . 1 1 200 200 MET H H 200 9.057 9.057 8.693 0.364 25776 753 1 . 1 1 201 201 ILE C C 201 174.016 174.016 174.419 -0.403 25776 754 1 . 1 1 201 201 ILE CA C 201 60.474 60.474 59.399 1.075 25776 755 1 . 1 1 201 201 ILE CB C 201 42.435 42.435 40.930 1.504 25776 756 1 . 1 1 202 202 GLY N N 202 113.215 113.215 111.815 1.400 25776 757 1 . 1 1 202 202 GLY C C 202 170.124 170.124 171.967 -1.843 25776 758 1 . 1 1 202 202 GLY CA C 202 47.560 47.560 44.212 3.348 25776 759 1 . 1 1 202 202 GLY H H 202 8.646 8.646 8.325 0.321 25776 760 1 . 1 1 203 203 PHE N N 203 116.782 116.782 116.991 -0.209 25776 761 1 . 1 1 203 203 PHE C C 203 174.063 174.063 174.530 -0.467 25776 762 1 . 1 1 203 203 PHE CA C 203 56.451 56.451 56.164 0.287 25776 763 1 . 1 1 203 203 PHE CB C 203 45.699 45.699 42.941 2.758 25776 764 1 . 1 1 203 203 PHE H H 203 8.482 8.482 8.246 0.236 25776 765 1 . 1 1 204 204 GLY N N 204 105.936 105.936 106.956 -1.020 25776 766 1 . 1 1 204 204 GLY C C 204 171.097 171.097 171.777 -0.680 25776 767 1 . 1 1 204 204 GLY CA C 204 47.474 47.474 44.698 2.776 25776 768 1 . 1 1 204 204 GLY H H 204 9.003 9.003 8.109 0.894 25776 769 1 . 1 1 205 205 TYR N N 205 121.196 121.196 119.009 2.187 25776 770 1 . 1 1 205 205 TYR C C 205 172.994 172.994 173.628 -0.634 25776 771 1 . 1 1 205 205 TYR CA C 205 57.686 57.686 56.928 0.758 25776 772 1 . 1 1 205 205 TYR CB C 205 45.190 45.190 42.918 2.272 25776 773 1 . 1 1 205 205 TYR H H 205 9.413 9.413 8.722 0.691 25776 774 1 . 1 1 206 206 LYS N N 206 126.788 126.788 123.826 2.962 25776 775 1 . 1 1 206 206 LYS C C 206 174.161 174.161 175.062 -0.901 25776 776 1 . 1 1 206 206 LYS CA C 206 55.430 55.430 55.331 0.099 25776 777 1 . 1 1 206 206 LYS CB C 206 35.425 35.425 33.878 1.547 25776 778 1 . 1 1 206 206 LYS H H 206 8.364 8.364 8.122 0.242 25776 779 1 . 1 1 207 207 PHE N N 207 126.168 126.168 123.949 2.219 25776 780 1 . 1 1 207 207 PHE C C 207 175.094 175.094 175.056 0.038 25776 781 1 . 1 1 207 207 PHE CA C 207 58.690 58.690 58.065 0.625 25776 782 1 . 1 1 207 207 PHE CB C 207 41.663 41.663 40.725 0.938 25776 783 1 . 1 1 207 207 PHE H H 207 9.308 9.308 8.162 1.146 25776 784 1 . 1 1 208 208 LEU N N 208 123.199 123.199 124.643 -1.444 25776 785 1 . 1 1 208 208 LEU C C 208 176.580 176.580 176.230 0.350 25776 786 1 . 1 1 208 208 LEU CA C 208 55.471 55.471 54.488 0.983 25776 787 1 . 1 1 208 208 LEU CB C 208 44.713 44.713 43.493 1.220 25776 788 1 . 1 1 208 208 LEU H H 208 8.376 8.376 8.246 0.130 25776 789 1 . 1 1 209 209 GLU N N 209 121.960 121.960 122.237 -0.277 25776 790 1 . 1 1 209 209 GLU C C 209 176.226 176.226 175.659 0.567 25776 791 1 . 1 1 209 209 GLU CA C 209 57.732 57.732 56.315 1.417 25776 792 1 . 1 1 209 209 GLU CB C 209 31.453 31.453 30.579 0.874 25776 793 1 . 1 1 209 209 GLU H H 209 8.500 8.500 8.716 -0.216 25776 stop_ save_