data_17849 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17849 _Entry.PDB_ID 2LHH 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 17849 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.507 4.507 4.627 -0.120 17849 2 1 1 . 1 1 2 2 SER CA C 2 58.342 58.342 57.941 0.400 17849 3 1 1 . 1 1 2 2 SER CB C 2 63.883 63.883 63.752 0.131 17849 4 1 1 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.963 -0.199 17849 5 1 1 . 1 1 3 3 ASN C C 3 174.784 174.784 173.927 0.857 17849 6 1 1 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.430 0.695 17849 7 1 1 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.976 -2.083 17849 8 1 1 . 1 1 4 4 LEU N N 4 121.466 121.466 121.499 -0.033 17849 9 1 1 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.569 0.131 17849 10 1 1 . 1 1 4 4 LEU C C 4 177.665 177.665 176.825 0.840 17849 11 1 1 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.504 -0.992 17849 12 1 1 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.412 1.227 17849 13 1 1 . 1 1 4 4 LEU H H 4 8.097 8.097 8.577 -0.480 17849 14 1 1 . 1 1 5 5 THR N N 5 112.990 112.990 114.617 -1.627 17849 15 1 1 . 1 1 5 5 THR HA H 5 4.481 4.481 4.729 -0.248 17849 16 1 1 . 1 1 5 5 THR C C 5 175.474 175.474 175.188 0.286 17849 17 1 1 . 1 1 5 5 THR CA C 5 60.528 60.528 59.546 0.982 17849 18 1 1 . 1 1 5 5 THR CB C 5 71.244 71.244 71.620 -0.376 17849 19 1 1 . 1 1 5 5 THR H H 5 8.778 8.778 7.958 0.820 17849 20 1 1 . 1 1 6 6 GLU N N 6 120.343 120.343 121.056 -0.713 17849 21 1 1 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.933 0.069 17849 22 1 1 . 1 1 6 6 GLU C C 6 179.568 179.568 178.527 1.041 17849 23 1 1 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.739 0.437 17849 24 1 1 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.167 0.058 17849 25 1 1 . 1 1 6 6 GLU H H 6 9.078 9.078 9.055 0.023 17849 26 1 1 . 1 1 7 7 GLU N N 7 119.544 119.544 119.844 -0.300 17849 27 1 1 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.988 0.123 17849 28 1 1 . 1 1 7 7 GLU C C 7 179.170 179.170 178.982 0.188 17849 29 1 1 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.167 0.870 17849 30 1 1 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.444 -0.327 17849 31 1 1 . 1 1 7 7 GLU H H 7 8.820 8.820 7.645 1.175 17849 32 1 1 . 1 1 8 8 GLN N N 8 119.824 119.824 118.870 0.954 17849 33 1 1 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.957 0.207 17849 34 1 1 . 1 1 8 8 GLN C C 8 179.652 179.652 178.960 0.692 17849 35 1 1 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.835 -0.083 17849 36 1 1 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.811 0.928 17849 37 1 1 . 1 1 8 8 GLN H H 8 7.812 7.812 7.562 0.250 17849 38 1 1 . 1 1 9 9 ILE N N 9 120.978 120.978 120.024 0.954 17849 39 1 1 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.933 -0.081 17849 40 1 1 . 1 1 9 9 ILE C C 9 177.899 177.899 178.223 -0.324 17849 41 1 1 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.681 0.895 17849 42 1 1 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.728 0.261 17849 43 1 1 . 1 1 9 9 ILE H H 9 8.634 8.634 8.512 0.122 17849 44 1 1 . 1 1 10 10 ALA N N 10 121.528 121.528 121.601 -0.073 17849 45 1 1 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.148 -0.042 17849 46 1 1 . 1 1 10 10 ALA C C 10 180.886 180.886 179.189 1.697 17849 47 1 1 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.069 0.349 17849 48 1 1 . 1 1 10 10 ALA CB C 10 17.775 17.775 18.107 -0.332 17849 49 1 1 . 1 1 10 10 ALA H H 10 8.142 8.142 8.047 0.095 17849 50 1 1 . 1 1 11 11 GLU N N 11 118.807 118.807 116.918 1.889 17849 51 1 1 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.272 -0.058 17849 52 1 1 . 1 1 11 11 GLU C C 11 180.292 180.292 178.603 1.689 17849 53 1 1 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.070 1.294 17849 54 1 1 . 1 1 11 11 GLU CB C 11 29.788 29.788 30.001 -0.213 17849 55 1 1 . 1 1 11 11 GLU H H 11 7.810 7.810 7.887 -0.077 17849 56 1 1 . 1 1 12 12 PHE N N 12 118.671 118.671 120.418 -1.747 17849 57 1 1 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.455 0.192 17849 58 1 1 . 1 1 12 12 PHE C C 12 179.032 179.032 177.668 1.364 17849 59 1 1 . 1 1 12 12 PHE CA C 12 63.160 63.160 61.003 2.157 17849 60 1 1 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.888 0.127 17849 61 1 1 . 1 1 12 12 PHE H H 12 8.432 8.432 8.680 -0.248 17849 62 1 1 . 1 1 13 13 LYS N N 13 123.536 123.536 118.976 4.560 17849 63 1 1 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.747 0.093 17849 64 1 1 . 1 1 13 13 LYS C C 13 179.114 179.114 178.915 0.199 17849 65 1 1 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.704 0.384 17849 66 1 1 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.016 -0.363 17849 67 1 1 . 1 1 13 13 LYS H H 13 8.981 8.981 8.529 0.452 17849 68 1 1 . 1 1 14 14 GLU N N 14 119.691 119.691 119.392 0.299 17849 69 1 1 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.251 -0.154 17849 70 1 1 . 1 1 14 14 GLU C C 14 179.285 179.285 178.360 0.925 17849 71 1 1 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.400 0.845 17849 72 1 1 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.665 -0.024 17849 73 1 1 . 1 1 14 14 GLU H H 14 7.737 7.737 7.564 0.173 17849 74 1 1 . 1 1 15 15 ALA N N 15 120.127 120.127 123.017 -2.890 17849 75 1 1 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.108 0.059 17849 76 1 1 . 1 1 15 15 ALA C C 15 178.607 178.607 179.825 -1.218 17849 77 1 1 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.006 0.053 17849 78 1 1 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.531 0.600 17849 79 1 1 . 1 1 15 15 ALA H H 15 7.747 7.747 7.645 0.102 17849 80 1 1 . 1 1 16 16 PHE N N 16 119.058 119.058 118.343 0.715 17849 81 1 1 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.016 -0.709 17849 82 1 1 . 1 1 16 16 PHE C C 16 177.236 177.236 176.959 0.277 17849 83 1 1 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.353 0.352 17849 84 1 1 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.067 0.685 17849 85 1 1 . 1 1 16 16 PHE H H 16 8.908 8.908 8.738 0.170 17849 86 1 1 . 1 1 17 17 ALA N N 17 119.352 119.352 122.760 -3.408 17849 87 1 1 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.007 0.116 17849 88 1 1 . 1 1 17 17 ALA C C 17 178.680 178.680 179.120 -0.440 17849 89 1 1 . 1 1 17 17 ALA CA C 17 54.539 54.539 55.046 -0.507 17849 90 1 1 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.015 0.200 17849 91 1 1 . 1 1 17 17 ALA H H 17 7.877 7.877 8.053 -0.176 17849 92 1 1 . 1 1 18 18 LEU N N 18 115.281 115.281 116.799 -1.518 17849 93 1 1 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.008 0.047 17849 94 1 1 . 1 1 18 18 LEU C C 18 178.393 178.393 178.330 0.063 17849 95 1 1 . 1 1 18 18 LEU CA C 18 56.642 56.642 56.818 -0.176 17849 96 1 1 . 1 1 18 18 LEU CB C 18 41.743 41.743 40.735 1.008 17849 97 1 1 . 1 1 18 18 LEU H H 18 7.369 7.369 7.710 -0.341 17849 98 1 1 . 1 1 19 19 PHE N N 19 115.719 115.719 112.953 2.766 17849 99 1 1 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.348 -0.139 17849 100 1 1 . 1 1 19 19 PHE C C 19 176.704 176.704 175.567 1.137 17849 101 1 1 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.048 0.185 17849 102 1 1 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.089 1.581 17849 103 1 1 . 1 1 19 19 PHE H H 19 7.468 7.468 7.844 -0.376 17849 104 1 1 . 1 1 20 20 ASP N N 20 117.209 117.209 119.838 -2.629 17849 105 1 1 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.794 -0.333 17849 106 1 1 . 1 1 20 20 ASP C C 20 176.557 176.557 175.911 0.646 17849 107 1 1 . 1 1 20 20 ASP CA C 20 52.245 52.245 53.543 -1.298 17849 108 1 1 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.524 -2.377 17849 109 1 1 . 1 1 20 20 ASP H H 20 7.488 7.488 7.958 -0.470 17849 110 1 1 . 1 1 21 21 LYS N N 21 124.086 124.086 126.118 -2.032 17849 111 1 1 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.251 -0.253 17849 112 1 1 . 1 1 21 21 LYS C C 21 177.844 177.844 177.968 -0.124 17849 113 1 1 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.204 0.104 17849 114 1 1 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.850 -0.398 17849 115 1 1 . 1 1 21 21 LYS H H 21 7.376 7.376 8.374 -0.998 17849 116 1 1 . 1 1 22 22 ASP N N 22 114.097 114.097 115.794 -1.697 17849 117 1 1 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.493 0.111 17849 118 1 1 . 1 1 22 22 ASP C C 22 176.349 176.349 176.421 -0.072 17849 119 1 1 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.848 -1.145 17849 120 1 1 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.379 -1.024 17849 121 1 1 . 1 1 22 22 ASP H H 22 8.113 8.113 7.978 0.135 17849 122 1 1 . 1 1 23 23 ASN N N 23 115.562 115.562 118.307 -2.745 17849 123 1 1 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.519 -0.124 17849 124 1 1 . 1 1 23 23 ASN C C 23 174.864 174.864 174.750 0.114 17849 125 1 1 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.642 0.758 17849 126 1 1 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.543 0.381 17849 127 1 1 . 1 1 23 23 ASN H H 23 8.048 8.048 8.199 -0.151 17849 128 1 1 . 1 1 24 24 ASN N N 24 117.615 117.615 118.083 -0.468 17849 129 1 1 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.782 0.053 17849 130 1 1 . 1 1 24 24 ASN C C 24 177.445 177.445 176.179 1.266 17849 131 1 1 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.424 -1.009 17849 132 1 1 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.870 -1.389 17849 133 1 1 . 1 1 24 24 ASN H H 24 8.517 8.517 8.955 -0.438 17849 134 1 1 . 1 1 25 25 GLY N N 25 114.308 114.308 108.964 5.344 17849 135 1 1 . 1 1 25 25 GLY C C 25 173.105 173.105 173.488 -0.383 17849 136 1 1 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.063 0.417 17849 137 1 1 . 1 1 25 25 GLY H H 25 10.729 10.729 8.771 1.958 17849 138 1 1 . 1 1 26 26 SER N N 26 113.267 113.267 116.618 -3.351 17849 139 1 1 . 1 1 26 26 SER HA H 26 5.330 5.330 5.561 -0.231 17849 140 1 1 . 1 1 26 26 SER C C 26 172.610 172.610 173.787 -1.177 17849 141 1 1 . 1 1 26 26 SER CA C 26 57.375 57.375 56.769 0.606 17849 142 1 1 . 1 1 26 26 SER CB C 26 66.504 66.504 65.396 1.108 17849 143 1 1 . 1 1 26 26 SER H H 26 7.773 7.773 7.986 -0.213 17849 144 1 1 . 1 1 27 27 ILE N N 27 127.124 127.124 125.422 1.702 17849 145 1 1 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.668 0.220 17849 146 1 1 . 1 1 27 27 ILE C C 27 175.876 175.876 175.605 0.271 17849 147 1 1 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.218 -0.182 17849 148 1 1 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.262 -2.366 17849 149 1 1 . 1 1 27 27 ILE H H 27 9.848 9.848 8.112 1.736 17849 150 1 1 . 1 1 28 28 SER N N 28 124.825 124.825 119.615 5.210 17849 151 1 1 . 1 1 28 28 SER HA H 28 4.771 4.771 5.406 -0.635 17849 152 1 1 . 1 1 28 28 SER C C 28 175.395 175.395 176.178 -0.783 17849 153 1 1 . 1 1 28 28 SER CA C 28 56.680 56.680 56.302 0.378 17849 154 1 1 . 1 1 28 28 SER CB C 28 66.154 66.154 66.085 0.068 17849 155 1 1 . 1 1 28 28 SER H H 28 9.347 9.347 8.309 1.038 17849 156 1 1 . 1 1 29 29 SER N N 29 116.882 116.882 120.176 -3.294 17849 157 1 1 . 1 1 29 29 SER HA H 29 4.144 4.144 4.166 -0.022 17849 158 1 1 . 1 1 29 29 SER C C 29 176.516 176.516 176.533 -0.017 17849 159 1 1 . 1 1 29 29 SER CA C 29 62.634 62.634 61.740 0.894 17849 160 1 1 . 1 1 29 29 SER CB C 29 62.227 62.227 62.922 -0.695 17849 161 1 1 . 1 1 29 29 SER H H 29 9.604 9.604 9.061 0.543 17849 162 1 1 . 1 1 30 30 SER N N 30 116.141 116.141 117.421 -1.280 17849 163 1 1 . 1 1 30 30 SER HA H 30 4.327 4.327 4.158 0.169 17849 164 1 1 . 1 1 30 30 SER C C 30 177.965 177.965 176.727 1.238 17849 165 1 1 . 1 1 30 30 SER CA C 30 61.341 61.341 61.755 -0.414 17849 166 1 1 . 1 1 30 30 SER CB C 30 62.429 62.429 62.932 -0.503 17849 167 1 1 . 1 1 30 30 SER H H 30 8.184 8.184 8.595 -0.411 17849 168 1 1 . 1 1 31 31 GLU N N 31 124.933 124.933 122.234 2.699 17849 169 1 1 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.079 0.012 17849 170 1 1 . 1 1 31 31 GLU C C 31 179.355 179.355 179.173 0.182 17849 171 1 1 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.953 0.489 17849 172 1 1 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.709 -0.374 17849 173 1 1 . 1 1 31 31 GLU H H 31 7.973 7.973 8.181 -0.208 17849 174 1 1 . 1 1 32 32 LEU N N 32 120.778 120.778 120.504 0.274 17849 175 1 1 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.203 -0.036 17849 176 1 1 . 1 1 32 32 LEU C C 32 178.364 178.364 178.970 -0.606 17849 177 1 1 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.581 0.766 17849 178 1 1 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.255 0.855 17849 179 1 1 . 1 1 32 32 LEU H H 32 8.616 8.616 8.490 0.126 17849 180 1 1 . 1 1 33 33 ALA N N 33 120.423 120.423 120.107 0.316 17849 181 1 1 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.045 -0.169 17849 182 1 1 . 1 1 33 33 ALA C C 33 179.394 179.394 179.306 0.088 17849 183 1 1 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.412 0.376 17849 184 1 1 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.251 0.267 17849 185 1 1 . 1 1 33 33 ALA H H 33 8.688 8.688 8.458 0.230 17849 186 1 1 . 1 1 34 34 THR N N 34 114.299 114.299 114.311 -0.012 17849 187 1 1 . 1 1 34 34 THR HA H 34 3.902 3.902 4.014 -0.112 17849 188 1 1 . 1 1 34 34 THR C C 34 177.161 177.161 175.729 1.432 17849 189 1 1 . 1 1 34 34 THR CA C 34 67.173 67.173 66.729 0.444 17849 190 1 1 . 1 1 34 34 THR CB C 34 68.712 68.712 68.702 0.010 17849 191 1 1 . 1 1 34 34 THR H H 34 8.219 8.219 7.793 0.426 17849 192 1 1 . 1 1 35 35 VAL N N 35 122.638 122.638 119.866 2.772 17849 193 1 1 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.714 -0.130 17849 194 1 1 . 1 1 35 35 VAL C C 35 178.403 178.403 177.191 1.212 17849 195 1 1 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.922 0.962 17849 196 1 1 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.674 -0.313 17849 197 1 1 . 1 1 35 35 VAL H H 35 7.791 7.791 7.630 0.161 17849 198 1 1 . 1 1 36 36 MET N N 36 117.307 117.307 118.646 -1.339 17849 199 1 1 . 1 1 36 36 MET HA H 36 3.906 3.906 4.171 -0.265 17849 200 1 1 . 1 1 36 36 MET C C 36 178.456 178.456 178.470 -0.014 17849 201 1 1 . 1 1 36 36 MET CA C 36 59.787 59.787 57.048 2.739 17849 202 1 1 . 1 1 36 36 MET CB C 36 32.548 32.548 31.179 1.369 17849 203 1 1 . 1 1 36 36 MET H H 36 8.308 8.308 7.621 0.687 17849 204 1 1 . 1 1 37 37 ARG N N 37 118.384 118.384 116.484 1.900 17849 205 1 1 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.328 0.429 17849 206 1 1 . 1 1 37 37 ARG C C 37 181.371 181.371 178.099 3.272 17849 207 1 1 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.530 0.357 17849 208 1 1 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.305 0.793 17849 209 1 1 . 1 1 37 37 ARG H H 37 8.634 8.634 8.400 0.234 17849 210 1 1 . 1 1 38 38 SER N N 38 118.916 118.916 112.630 6.286 17849 211 1 1 . 1 1 38 38 SER HA H 38 4.339 4.339 4.350 -0.011 17849 212 1 1 . 1 1 38 38 SER C C 38 174.705 174.705 175.755 -1.050 17849 213 1 1 . 1 1 38 38 SER CA C 38 61.793 61.793 59.221 2.572 17849 214 1 1 . 1 1 38 38 SER CB C 38 62.713 62.713 63.663 -0.950 17849 215 1 1 . 1 1 38 38 SER H H 38 8.226 8.226 7.527 0.699 17849 216 1 1 . 1 1 39 39 LEU N N 39 119.948 119.948 120.455 -0.507 17849 217 1 1 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.060 0.236 17849 218 1 1 . 1 1 39 39 LEU C C 39 176.723 176.723 177.796 -1.073 17849 219 1 1 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.051 -2.491 17849 220 1 1 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.358 -0.368 17849 221 1 1 . 1 1 39 39 LEU H H 39 7.331 7.331 7.953 -0.622 17849 222 1 1 . 1 1 40 40 GLY N N 40 105.997 105.997 103.029 2.968 17849 223 1 1 . 1 1 40 40 GLY C C 40 174.405 174.405 173.770 0.635 17849 224 1 1 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.225 -0.037 17849 225 1 1 . 1 1 40 40 GLY H H 40 7.889 7.889 7.678 0.211 17849 226 1 1 . 1 1 41 41 LEU N N 41 120.071 120.071 119.307 0.764 17849 227 1 1 . 1 1 41 41 LEU HA H 41 4.486 4.486 5.028 -0.542 17849 228 1 1 . 1 1 41 41 LEU C C 41 175.829 175.829 175.256 0.573 17849 229 1 1 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.148 1.039 17849 230 1 1 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.697 -1.124 17849 231 1 1 . 1 1 41 41 LEU H H 41 7.592 7.592 7.777 -0.185 17849 232 1 1 . 1 1 42 42 SER N N 42 112.869 112.869 115.303 -2.434 17849 233 1 1 . 1 1 42 42 SER HA H 42 4.797 4.797 4.817 -0.020 17849 234 1 1 . 1 1 42 42 SER CA C 42 54.960 54.960 55.785 -0.825 17849 235 1 1 . 1 1 42 42 SER CB C 42 63.177 63.177 63.727 -0.550 17849 236 1 1 . 1 1 42 42 SER H H 42 8.761 8.761 8.340 0.421 17849 237 1 1 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.552 0.156 17849 238 1 1 . 1 1 43 43 PRO C C 43 177.533 177.533 175.827 1.706 17849 239 1 1 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.599 -0.424 17849 240 1 1 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.258 -0.384 17849 241 1 1 . 1 1 44 44 SER N N 44 119.089 119.089 118.249 0.840 17849 242 1 1 . 1 1 44 44 SER HA H 44 4.574 4.574 4.537 0.037 17849 243 1 1 . 1 1 44 44 SER C C 44 174.803 174.803 175.634 -0.831 17849 244 1 1 . 1 1 44 44 SER CA C 44 56.786 56.786 57.411 -0.625 17849 245 1 1 . 1 1 44 44 SER CB C 44 65.387 65.387 64.594 0.793 17849 246 1 1 . 1 1 44 44 SER H H 44 9.014 9.014 8.282 0.732 17849 247 1 1 . 1 1 45 45 GLU N N 45 121.343 121.343 126.021 -4.678 17849 248 1 1 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.865 0.079 17849 249 1 1 . 1 1 45 45 GLU C C 45 178.978 178.978 178.350 0.628 17849 250 1 1 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.440 -0.334 17849 251 1 1 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.757 -0.454 17849 252 1 1 . 1 1 45 45 GLU H H 45 8.925 8.925 9.031 -0.106 17849 253 1 1 . 1 1 46 46 ALA N N 46 120.822 120.822 120.069 0.753 17849 254 1 1 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.169 -0.023 17849 255 1 1 . 1 1 46 46 ALA C C 46 179.782 179.782 180.026 -0.244 17849 256 1 1 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.832 0.254 17849 257 1 1 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.759 0.497 17849 258 1 1 . 1 1 46 46 ALA H H 46 8.339 8.339 8.455 -0.116 17849 259 1 1 . 1 1 47 47 GLU N N 47 118.432 118.432 118.017 0.415 17849 260 1 1 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.225 -0.151 17849 261 1 1 . 1 1 47 47 GLU C C 47 180.222 180.222 178.745 1.477 17849 262 1 1 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.774 0.435 17849 263 1 1 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.298 0.587 17849 264 1 1 . 1 1 47 47 GLU H H 47 7.759 7.759 7.597 0.162 17849 265 1 1 . 1 1 48 48 VAL N N 48 120.023 120.023 120.269 -0.246 17849 266 1 1 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.747 -0.249 17849 267 1 1 . 1 1 48 48 VAL C C 48 177.380 177.380 177.659 -0.279 17849 268 1 1 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.080 2.178 17849 269 1 1 . 1 1 48 48 VAL CB C 48 31.361 31.361 30.838 0.523 17849 270 1 1 . 1 1 48 48 VAL H H 48 8.174 8.174 8.342 -0.168 17849 271 1 1 . 1 1 49 49 ASN N N 49 118.475 118.475 118.540 -0.065 17849 272 1 1 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.196 0.209 17849 273 1 1 . 1 1 49 49 ASN C C 49 177.352 177.352 177.132 0.220 17849 274 1 1 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.687 0.023 17849 275 1 1 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.956 0.314 17849 276 1 1 . 1 1 49 49 ASN H H 49 8.208 8.208 8.652 -0.444 17849 277 1 1 . 1 1 50 50 ASP N N 50 120.147 120.147 120.489 -0.342 17849 278 1 1 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.425 0.057 17849 279 1 1 . 1 1 50 50 ASP C C 50 178.973 178.973 178.403 0.570 17849 280 1 1 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.804 0.636 17849 281 1 1 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.897 -0.717 17849 282 1 1 . 1 1 50 50 ASP H H 50 8.400 8.400 7.587 0.813 17849 283 1 1 . 1 1 51 51 LEU N N 51 121.706 121.706 118.686 3.020 17849 284 1 1 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.140 -0.032 17849 285 1 1 . 1 1 51 51 LEU C C 51 178.796 178.796 178.388 0.408 17849 286 1 1 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.049 1.083 17849 287 1 1 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.858 0.031 17849 288 1 1 . 1 1 51 51 LEU H H 51 7.830 7.830 8.090 -0.260 17849 289 1 1 . 1 1 52 52 MET N N 52 117.267 117.267 117.284 -0.017 17849 290 1 1 . 1 1 52 52 MET HA H 52 4.145 4.145 4.251 -0.106 17849 291 1 1 . 1 1 52 52 MET C C 52 178.260 178.260 178.750 -0.490 17849 292 1 1 . 1 1 52 52 MET CA C 52 57.418 57.418 56.738 0.680 17849 293 1 1 . 1 1 52 52 MET CB C 52 30.089 30.089 30.999 -0.910 17849 294 1 1 . 1 1 52 52 MET H H 52 8.601 8.601 8.600 0.001 17849 295 1 1 . 1 1 53 53 ASN N N 53 115.368 115.368 118.669 -3.301 17849 296 1 1 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.420 0.153 17849 297 1 1 . 1 1 53 53 ASN C C 53 176.890 176.890 176.289 0.601 17849 298 1 1 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.875 -0.543 17849 299 1 1 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.359 -0.205 17849 300 1 1 . 1 1 53 53 ASN H H 53 8.239 8.239 8.120 0.119 17849 301 1 1 . 1 1 54 54 GLU N N 54 117.437 117.437 117.906 -0.469 17849 302 1 1 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.075 0.175 17849 303 1 1 . 1 1 54 54 GLU C C 54 177.019 177.019 179.232 -2.213 17849 304 1 1 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.729 -1.042 17849 305 1 1 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.795 0.298 17849 306 1 1 . 1 1 54 54 GLU H H 54 7.625 7.625 7.615 0.010 17849 307 1 1 . 1 1 55 55 ILE N N 55 117.098 117.098 118.183 -1.085 17849 308 1 1 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.724 0.177 17849 309 1 1 . 1 1 55 55 ILE C C 55 176.027 176.027 175.905 0.122 17849 310 1 1 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.885 -1.248 17849 311 1 1 . 1 1 55 55 ILE CB C 55 40.036 40.036 37.963 2.073 17849 312 1 1 . 1 1 55 55 ILE H H 55 7.496 7.496 7.360 0.136 17849 313 1 1 . 1 1 56 56 ASP N N 56 118.367 118.367 119.485 -1.118 17849 314 1 1 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.678 -0.261 17849 315 1 1 . 1 1 56 56 ASP C C 56 175.761 175.761 176.095 -0.334 17849 316 1 1 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.867 -0.459 17849 317 1 1 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.234 -0.001 17849 318 1 1 . 1 1 56 56 ASP H H 56 8.329 8.329 7.589 0.740 17849 319 1 1 . 1 1 57 57 VAL N N 57 126.262 126.262 123.402 2.860 17849 320 1 1 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.990 0.016 17849 321 1 1 . 1 1 57 57 VAL C C 57 177.253 177.253 176.595 0.658 17849 322 1 1 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.085 0.140 17849 323 1 1 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.603 0.583 17849 324 1 1 . 1 1 57 57 VAL H H 57 8.116 8.116 8.497 -0.381 17849 325 1 1 . 1 1 58 58 ASP N N 58 116.896 116.896 118.394 -1.498 17849 326 1 1 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.644 -0.072 17849 327 1 1 . 1 1 58 58 ASP C C 58 177.670 177.670 176.913 0.757 17849 328 1 1 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.815 -0.010 17849 329 1 1 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.286 -1.293 17849 330 1 1 . 1 1 58 58 ASP H H 58 8.356 8.356 8.218 0.138 17849 331 1 1 . 1 1 59 59 GLY N N 59 107.989 107.989 108.660 -0.671 17849 332 1 1 . 1 1 59 59 GLY C C 59 174.661 174.661 174.867 -0.206 17849 333 1 1 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.338 1.741 17849 334 1 1 . 1 1 59 59 GLY H H 59 7.622 7.622 8.469 -0.847 17849 335 1 1 . 1 1 60 60 ASN N N 60 118.703 118.703 117.067 1.636 17849 336 1 1 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.633 -0.091 17849 337 1 1 . 1 1 60 60 ASN C C 60 175.787 175.787 175.665 0.122 17849 338 1 1 . 1 1 60 60 ASN CA C 60 52.283 52.283 53.001 -0.718 17849 339 1 1 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.276 -2.092 17849 340 1 1 . 1 1 60 60 ASN H H 60 8.096 8.096 8.428 -0.332 17849 341 1 1 . 1 1 61 61 HIS N N 61 117.475 117.475 115.493 1.982 17849 342 1 1 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.313 -0.445 17849 343 1 1 . 1 1 61 61 HIS C C 61 172.407 172.407 172.816 -0.409 17849 344 1 1 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.828 -0.400 17849 345 1 1 . 1 1 61 61 HIS CB C 61 26.973 26.973 27.834 -0.861 17849 346 1 1 . 1 1 61 61 HIS H H 61 9.998 9.998 8.774 1.224 17849 347 1 1 . 1 1 62 62 GLN N N 62 112.629 112.629 115.062 -2.433 17849 348 1 1 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.408 -0.599 17849 349 1 1 . 1 1 62 62 GLN C C 62 174.654 174.654 174.738 -0.084 17849 350 1 1 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.201 -0.393 17849 351 1 1 . 1 1 62 62 GLN CB C 62 32.125 32.125 33.440 -1.315 17849 352 1 1 . 1 1 62 62 GLN H H 62 7.541 7.541 8.922 -1.381 17849 353 1 1 . 1 1 63 63 ILE N N 63 123.800 123.800 123.859 -0.059 17849 354 1 1 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.450 0.596 17849 355 1 1 . 1 1 63 63 ILE C C 63 176.626 176.626 175.753 0.873 17849 356 1 1 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.334 1.558 17849 357 1 1 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.850 1.330 17849 358 1 1 . 1 1 63 63 ILE H H 63 9.312 9.312 8.792 0.520 17849 359 1 1 . 1 1 64 64 GLU N N 64 128.941 128.941 127.849 1.092 17849 360 1 1 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.533 0.443 17849 361 1 1 . 1 1 64 64 GLU C C 64 178.001 178.001 177.147 0.854 17849 362 1 1 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.344 2.376 17849 363 1 1 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.166 -0.938 17849 364 1 1 . 1 1 64 64 GLU H H 64 8.846 8.846 8.268 0.578 17849 365 1 1 . 1 1 65 65 PHE N N 65 124.119 124.119 123.528 0.591 17849 366 1 1 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.028 -0.502 17849 367 1 1 . 1 1 65 65 PHE C C 65 176.981 176.981 176.968 0.013 17849 368 1 1 . 1 1 65 65 PHE CA C 65 62.264 62.264 60.168 2.096 17849 369 1 1 . 1 1 65 65 PHE CB C 65 37.824 37.824 38.872 -1.048 17849 370 1 1 . 1 1 65 65 PHE H H 65 9.488 9.488 8.965 0.523 17849 371 1 1 . 1 1 66 66 SER N N 66 112.445 112.445 114.075 -1.630 17849 372 1 1 . 1 1 66 66 SER HA H 66 3.667 3.667 4.125 -0.458 17849 373 1 1 . 1 1 66 66 SER C C 66 177.385 177.385 176.365 1.020 17849 374 1 1 . 1 1 66 66 SER CA C 66 61.503 61.503 60.704 0.799 17849 375 1 1 . 1 1 66 66 SER CB C 66 61.285 61.285 62.466 -1.181 17849 376 1 1 . 1 1 66 66 SER H H 66 8.972 8.972 8.128 0.844 17849 377 1 1 . 1 1 67 67 GLU N N 67 122.775 122.775 124.002 -1.227 17849 378 1 1 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.931 0.189 17849 379 1 1 . 1 1 67 67 GLU C C 67 178.567 178.567 178.714 -0.147 17849 380 1 1 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.471 -1.628 17849 381 1 1 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.405 -0.156 17849 382 1 1 . 1 1 67 67 GLU H H 67 6.799 6.799 8.131 -1.332 17849 383 1 1 . 1 1 68 68 PHE N N 68 123.231 123.231 119.364 3.867 17849 384 1 1 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.073 -0.242 17849 385 1 1 . 1 1 68 68 PHE C C 68 175.936 175.936 177.772 -1.836 17849 386 1 1 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.499 -0.383 17849 387 1 1 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.383 0.833 17849 388 1 1 . 1 1 68 68 PHE H H 68 8.176 8.176 8.764 -0.588 17849 389 1 1 . 1 1 69 69 LEU N N 69 118.554 118.554 117.862 0.692 17849 390 1 1 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.841 -0.675 17849 391 1 1 . 1 1 69 69 LEU C C 69 179.074 179.074 178.637 0.437 17849 392 1 1 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.193 -0.061 17849 393 1 1 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.083 0.183 17849 394 1 1 . 1 1 69 69 LEU H H 69 8.626 8.626 7.747 0.879 17849 395 1 1 . 1 1 70 70 ALA N N 70 120.878 120.878 123.505 -2.627 17849 396 1 1 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.940 -0.055 17849 397 1 1 . 1 1 70 70 ALA C C 70 179.914 179.914 179.237 0.677 17849 398 1 1 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.594 0.376 17849 399 1 1 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.841 -0.064 17849 400 1 1 . 1 1 70 70 ALA H H 70 7.322 7.322 7.564 -0.242 17849 401 1 1 . 1 1 71 71 LEU N N 71 118.871 118.871 115.730 3.141 17849 402 1 1 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.636 0.292 17849 403 1 1 . 1 1 71 71 LEU C C 71 178.009 178.009 177.881 0.128 17849 404 1 1 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.876 0.868 17849 405 1 1 . 1 1 71 71 LEU CB C 71 41.412 41.412 40.928 0.484 17849 406 1 1 . 1 1 71 71 LEU H H 71 7.219 7.219 7.368 -0.149 17849 407 1 1 . 1 1 72 72 MET N N 72 113.480 113.480 112.406 1.074 17849 408 1 1 . 1 1 72 72 MET HA H 72 4.165 4.165 4.394 -0.229 17849 409 1 1 . 1 1 72 72 MET CA C 72 55.413 55.413 57.102 -1.690 17849 410 1 1 . 1 1 72 72 MET CB C 72 31.199 31.199 33.515 -2.316 17849 411 1 1 . 1 1 72 72 MET H H 72 7.486 7.486 7.946 -0.460 17849 412 1 1 . 1 1 73 73 SER HA H 73 4.337 4.337 4.396 -0.059 17849 413 1 1 . 1 1 73 73 SER C C 73 174.241 174.241 175.944 -1.703 17849 414 1 1 . 1 1 73 73 SER CA C 73 59.132 59.132 60.091 -0.959 17849 415 1 1 . 1 1 73 73 SER CB C 73 63.649 63.649 63.207 0.442 17849 416 1 1 . 1 1 73 73 SER H H 73 7.699 7.699 7.984 -0.285 17849 417 1 1 . 1 1 74 74 ARG N N 74 121.213 121.213 119.608 1.605 17849 418 1 1 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.904 0.307 17849 419 1 1 . 1 1 74 74 ARG C C 74 175.638 175.638 176.403 -0.765 17849 420 1 1 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.736 -1.886 17849 421 1 1 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.787 0.885 17849 422 1 1 . 1 1 74 74 ARG H H 74 7.400 7.400 8.003 -0.603 17849 423 1 1 . 1 1 75 75 GLN N N 75 118.914 118.914 118.237 0.677 17849 424 1 1 . 1 1 75 75 GLN CB C 75 29.315 29.315 29.164 0.151 17849 425 1 1 . 1 1 75 75 GLN H H 75 8.090 8.090 7.947 0.143 17849 426 1 1 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.138 0.249 17849 427 1 1 . 1 1 77 77 LYS C C 77 176.410 176.410 176.648 -0.238 17849 428 1 1 . 1 1 77 77 LYS CA C 77 56.042 56.042 58.266 -2.224 17849 429 1 1 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.510 0.647 17849 430 1 1 . 1 1 78 78 SER N N 78 116.257 116.257 114.221 2.036 17849 431 1 1 . 1 1 78 78 SER HA H 78 4.422 4.422 4.439 -0.017 17849 432 1 1 . 1 1 78 78 SER C C 78 174.436 174.436 174.196 0.240 17849 433 1 1 . 1 1 78 78 SER CA C 78 58.366 58.366 58.187 0.179 17849 434 1 1 . 1 1 78 78 SER CB C 78 63.855 63.855 63.733 0.122 17849 435 1 1 . 1 1 78 78 SER H H 78 8.332 8.332 7.967 0.365 17849 436 1 1 . 1 1 79 79 ASN N N 79 120.267 120.267 123.809 -3.542 17849 437 1 1 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.757 -0.030 17849 438 1 1 . 1 1 79 79 ASN C C 79 174.966 174.966 174.210 0.756 17849 439 1 1 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.516 -0.049 17849 440 1 1 . 1 1 79 79 ASN CB C 79 38.869 38.869 38.590 0.279 17849 441 1 1 . 1 1 79 79 ASN H H 79 8.548 8.548 8.678 -0.130 17849 442 1 1 . 1 1 80 80 ASP N N 80 119.659 119.659 120.458 -0.799 17849 443 1 1 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.759 -0.142 17849 444 1 1 . 1 1 80 80 ASP C C 80 176.412 176.412 174.472 1.940 17849 445 1 1 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.437 0.273 17849 446 1 1 . 1 1 80 80 ASP CB C 80 41.223 41.223 41.230 -0.007 17849 447 1 1 . 1 1 80 80 ASP H H 80 8.325 8.325 8.173 0.152 17849 448 1 1 . 1 1 81 81 SER N N 81 115.425 115.425 111.730 3.695 17849 449 1 1 . 1 1 81 81 SER HA H 81 4.414 4.414 4.435 -0.021 17849 450 1 1 . 1 1 81 81 SER C C 81 174.733 174.733 173.094 1.639 17849 451 1 1 . 1 1 81 81 SER CA C 81 59.183 59.183 57.077 2.106 17849 452 1 1 . 1 1 81 81 SER CB C 81 63.784 63.784 65.622 -1.838 17849 453 1 1 . 1 1 81 81 SER H H 81 8.256 8.256 7.255 1.001 17849 454 1 1 . 1 1 82 82 GLU N N 82 121.456 121.456 124.325 -2.869 17849 455 1 1 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.117 0.206 17849 456 1 1 . 1 1 82 82 GLU C C 82 176.385 176.385 176.756 -0.371 17849 457 1 1 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.235 -0.507 17849 458 1 1 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.742 0.130 17849 459 1 1 . 1 1 82 82 GLU H H 82 8.375 8.375 8.681 -0.306 17849 460 1 1 . 1 1 83 83 GLN N N 83 120.069 120.069 124.608 -4.539 17849 461 1 1 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.287 0.018 17849 462 1 1 . 1 1 83 83 GLN C C 83 176.054 176.054 177.475 -1.421 17849 463 1 1 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.042 -0.895 17849 464 1 1 . 1 1 83 83 GLN CB C 83 29.303 29.303 28.988 0.315 17849 465 1 1 . 1 1 83 83 GLN H H 83 8.233 8.233 8.736 -0.503 17849 466 1 1 . 1 1 84 84 GLU N N 84 122.390 122.390 120.682 1.708 17849 467 1 1 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.096 0.195 17849 468 1 1 . 1 1 84 84 GLU C C 84 177.528 177.528 178.122 -0.594 17849 469 1 1 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.218 -1.020 17849 470 1 1 . 1 1 84 84 GLU CB C 84 30.113 30.113 28.885 1.228 17849 471 1 1 . 1 1 84 84 GLU H H 84 8.567 8.567 8.683 -0.116 17849 472 1 1 . 1 1 85 85 LEU N N 85 122.788 122.788 120.339 2.449 17849 473 1 1 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.187 0.008 17849 474 1 1 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.350 -0.833 17849 475 1 1 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.471 0.945 17849 476 1 1 . 1 1 85 85 LEU H H 85 8.434 8.434 8.038 0.396 17849 477 1 1 . 1 1 86 86 LEU N N 86 119.558 119.558 117.655 1.903 17849 478 1 1 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.187 -0.030 17849 479 1 1 . 1 1 86 86 LEU CA C 86 56.119 56.119 56.950 -0.831 17849 480 1 1 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.203 0.355 17849 481 1 1 . 1 1 86 86 LEU H H 86 8.037 8.037 7.399 0.638 17849 482 1 1 . 1 1 87 87 GLU N N 87 121.323 121.323 116.270 5.053 17849 483 1 1 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.137 -0.214 17849 484 1 1 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.544 1.003 17849 485 1 1 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.603 -0.260 17849 486 1 1 . 1 1 87 87 GLU H H 87 8.192 8.192 7.450 0.742 17849 487 1 1 . 1 1 88 88 ALA N N 88 119.942 119.942 123.250 -3.308 17849 488 1 1 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.297 -0.221 17849 489 1 1 . 1 1 88 88 ALA C C 88 178.281 178.281 178.925 -0.644 17849 490 1 1 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.355 0.126 17849 491 1 1 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.051 -0.241 17849 492 1 1 . 1 1 88 88 ALA H H 88 8.363 8.363 7.401 0.962 17849 493 1 1 . 1 1 89 89 PHE N N 89 111.807 111.807 115.188 -3.381 17849 494 1 1 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.012 0.477 17849 495 1 1 . 1 1 89 89 PHE C C 89 176.632 176.632 176.495 0.137 17849 496 1 1 . 1 1 89 89 PHE CA C 89 58.478 58.478 58.467 0.011 17849 497 1 1 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.068 0.574 17849 498 1 1 . 1 1 89 89 PHE H H 89 7.855 7.855 7.975 -0.120 17849 499 1 1 . 1 1 90 90 LYS N N 90 120.375 120.375 121.791 -1.416 17849 500 1 1 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.131 -0.133 17849 501 1 1 . 1 1 90 90 LYS C C 90 178.490 178.490 178.059 0.431 17849 502 1 1 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.254 1.740 17849 503 1 1 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.106 -0.192 17849 504 1 1 . 1 1 90 90 LYS H H 90 7.957 7.957 7.310 0.647 17849 505 1 1 . 1 1 91 91 VAL N N 91 116.643 116.643 116.718 -0.075 17849 506 1 1 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.827 0.047 17849 507 1 1 . 1 1 91 91 VAL C C 91 175.413 175.413 176.484 -1.071 17849 508 1 1 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.242 -1.549 17849 509 1 1 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.614 -0.381 17849 510 1 1 . 1 1 91 91 VAL H H 91 7.389 7.389 7.217 0.172 17849 511 1 1 . 1 1 92 92 PHE N N 92 115.769 115.769 115.246 0.523 17849 512 1 1 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.448 0.072 17849 513 1 1 . 1 1 92 92 PHE CA C 92 59.175 59.175 57.457 1.718 17849 514 1 1 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.689 1.545 17849 515 1 1 . 1 1 92 92 PHE H H 92 7.534 7.534 7.405 0.129 17849 516 1 1 . 1 1 93 93 ASP N N 93 115.397 115.397 119.677 -4.280 17849 517 1 1 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.008 -0.150 17849 518 1 1 . 1 1 93 93 ASP C C 93 177.421 177.421 177.165 0.256 17849 519 1 1 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.918 -0.452 17849 520 1 1 . 1 1 93 93 ASP CB C 93 38.980 38.980 39.756 -0.776 17849 521 1 1 . 1 1 93 93 ASP H H 93 7.543 7.543 8.182 -0.639 17849 522 1 1 . 1 1 94 94 LYS N N 94 125.591 125.591 124.240 1.351 17849 523 1 1 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.279 -0.200 17849 524 1 1 . 1 1 94 94 LYS C C 94 177.856 177.856 177.355 0.501 17849 525 1 1 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.592 0.338 17849 526 1 1 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.474 -0.080 17849 527 1 1 . 1 1 94 94 LYS H H 94 7.873 7.873 8.043 -0.170 17849 528 1 1 . 1 1 95 95 ASN N N 95 112.796 112.796 115.783 -2.987 17849 529 1 1 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.713 0.084 17849 530 1 1 . 1 1 95 95 ASN C C 95 176.619 176.619 175.649 0.970 17849 531 1 1 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.757 -0.847 17849 532 1 1 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.835 -0.559 17849 533 1 1 . 1 1 95 95 ASN H H 95 8.272 8.272 7.806 0.466 17849 534 1 1 . 1 1 96 96 GLY N N 96 109.132 109.132 108.648 0.484 17849 535 1 1 . 1 1 96 96 GLY C C 96 174.799 174.799 174.377 0.422 17849 536 1 1 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.502 1.069 17849 537 1 1 . 1 1 96 96 GLY H H 96 7.654 7.654 7.605 0.049 17849 538 1 1 . 1 1 97 97 ASP N N 97 118.796 118.796 120.127 -1.331 17849 539 1 1 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.666 -0.136 17849 540 1 1 . 1 1 97 97 ASP C C 97 177.137 177.137 177.342 -0.205 17849 541 1 1 . 1 1 97 97 ASP CA C 97 53.392 53.392 54.056 -0.664 17849 542 1 1 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.514 -1.125 17849 543 1 1 . 1 1 97 97 ASP H H 97 8.090 8.090 8.358 -0.268 17849 544 1 1 . 1 1 98 98 GLY N N 98 112.962 112.962 107.709 5.253 17849 545 1 1 . 1 1 98 98 GLY C C 98 172.142 172.142 174.045 -1.903 17849 546 1 1 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.588 0.136 17849 547 1 1 . 1 1 98 98 GLY H H 98 10.329 10.329 8.543 1.786 17849 548 1 1 . 1 1 99 99 LEU N N 99 119.691 119.691 120.320 -0.629 17849 549 1 1 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.758 0.004 17849 550 1 1 . 1 1 99 99 LEU C C 99 176.162 176.162 174.864 1.298 17849 551 1 1 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.404 -0.579 17849 552 1 1 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.410 -0.628 17849 553 1 1 . 1 1 99 99 LEU H H 99 8.000 8.000 7.655 0.345 17849 554 1 1 . 1 1 100 100 ILE N N 100 127.464 127.464 119.013 8.451 17849 555 1 1 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.914 -0.240 17849 556 1 1 . 1 1 100 100 ILE C C 100 175.006 175.006 175.170 -0.164 17849 557 1 1 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.876 0.544 17849 558 1 1 . 1 1 100 100 ILE CB C 100 37.811 37.811 41.159 -3.348 17849 559 1 1 . 1 1 100 100 ILE H H 100 9.491 9.491 8.087 1.404 17849 560 1 1 . 1 1 101 101 SER N N 101 123.104 123.104 118.754 4.350 17849 561 1 1 . 1 1 101 101 SER HA H 101 4.770 4.770 4.852 -0.082 17849 562 1 1 . 1 1 101 101 SER C C 101 174.847 174.847 174.756 0.091 17849 563 1 1 . 1 1 101 101 SER CA C 101 55.854 55.854 56.660 -0.806 17849 564 1 1 . 1 1 101 101 SER CB C 101 65.994 65.994 65.966 0.029 17849 565 1 1 . 1 1 101 101 SER H H 101 9.058 9.058 8.294 0.764 17849 566 1 1 . 1 1 102 102 ALA N N 102 124.316 124.316 123.288 1.028 17849 567 1 1 . 1 1 102 102 ALA HA H 102 3.616 3.616 3.969 -0.353 17849 568 1 1 . 1 1 102 102 ALA C C 102 179.388 179.388 178.998 0.390 17849 569 1 1 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.136 0.588 17849 570 1 1 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.346 -0.031 17849 571 1 1 . 1 1 102 102 ALA H H 102 8.587 8.587 8.587 0.000 17849 572 1 1 . 1 1 103 103 ALA N N 103 118.346 118.346 120.189 -1.843 17849 573 1 1 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.872 0.128 17849 574 1 1 . 1 1 103 103 ALA C C 103 181.188 181.188 179.743 1.445 17849 575 1 1 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.370 0.688 17849 576 1 1 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.163 0.226 17849 577 1 1 . 1 1 103 103 ALA H H 103 8.266 8.266 8.348 -0.082 17849 578 1 1 . 1 1 104 104 GLU N N 104 120.568 120.568 118.358 2.210 17849 579 1 1 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.315 -0.259 17849 580 1 1 . 1 1 104 104 GLU C C 104 178.762 178.762 178.434 0.328 17849 581 1 1 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.637 1.331 17849 582 1 1 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.833 -0.922 17849 583 1 1 . 1 1 104 104 GLU H H 104 7.928 7.928 8.345 -0.417 17849 584 1 1 . 1 1 105 105 LEU N N 105 117.903 117.903 120.986 -3.083 17849 585 1 1 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.964 0.065 17849 586 1 1 . 1 1 105 105 LEU C C 105 178.497 178.497 178.361 0.136 17849 587 1 1 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.711 0.742 17849 588 1 1 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.315 0.877 17849 589 1 1 . 1 1 105 105 LEU H H 105 7.926 7.926 8.390 -0.464 17849 590 1 1 . 1 1 106 106 LYS N N 106 115.836 115.836 118.200 -2.364 17849 591 1 1 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.150 -0.351 17849 592 1 1 . 1 1 106 106 LYS C C 106 179.102 179.102 177.948 1.154 17849 593 1 1 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.604 1.568 17849 594 1 1 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.458 0.152 17849 595 1 1 . 1 1 106 106 LYS H H 106 8.337 8.337 8.392 -0.055 17849 596 1 1 . 1 1 107 107 HIS N N 107 119.620 119.620 118.436 1.184 17849 597 1 1 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.441 -0.187 17849 598 1 1 . 1 1 107 107 HIS C C 107 178.167 178.167 177.641 0.526 17849 599 1 1 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.308 1.620 17849 600 1 1 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.207 0.377 17849 601 1 1 . 1 1 107 107 HIS H H 107 8.502 8.502 7.459 1.043 17849 602 1 1 . 1 1 108 108 VAL N N 108 118.595 118.595 121.178 -2.583 17849 603 1 1 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.747 -0.091 17849 604 1 1 . 1 1 108 108 VAL C C 108 178.608 178.608 176.899 1.709 17849 605 1 1 . 1 1 108 108 VAL CA C 108 66.356 66.356 64.503 1.853 17849 606 1 1 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.901 1.414 17849 607 1 1 . 1 1 108 108 VAL H H 108 8.348 8.348 8.257 0.091 17849 608 1 1 . 1 1 109 109 LEU N N 109 116.755 116.755 116.184 0.571 17849 609 1 1 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.883 0.261 17849 610 1 1 . 1 1 109 109 LEU C C 109 179.267 179.267 177.782 1.485 17849 611 1 1 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.515 -0.061 17849 612 1 1 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.519 0.584 17849 613 1 1 . 1 1 109 109 LEU H H 109 8.251 8.251 7.586 0.665 17849 614 1 1 . 1 1 110 110 THR N N 110 111.046 111.046 109.911 1.135 17849 615 1 1 . 1 1 110 110 THR HA H 110 4.256 4.256 4.364 -0.108 17849 616 1 1 . 1 1 110 110 THR C C 110 175.897 175.897 175.640 0.257 17849 617 1 1 . 1 1 110 110 THR CA C 110 64.465 64.465 63.515 0.950 17849 618 1 1 . 1 1 110 110 THR CB C 110 69.431 69.431 69.849 -0.418 17849 619 1 1 . 1 1 110 110 THR H H 110 8.085 8.085 7.278 0.807 17849 620 1 1 . 1 1 111 111 SER N N 111 117.074 117.074 117.554 -0.480 17849 621 1 1 . 1 1 111 111 SER HA H 111 4.406 4.406 4.256 0.150 17849 622 1 1 . 1 1 111 111 SER C C 111 175.051 175.051 175.290 -0.239 17849 623 1 1 . 1 1 111 111 SER CA C 111 59.968 59.968 60.515 -0.547 17849 624 1 1 . 1 1 111 111 SER CB C 111 63.391 63.391 63.563 -0.173 17849 625 1 1 . 1 1 111 111 SER H H 111 7.681 7.681 7.929 -0.248 17849 626 1 1 . 1 1 112 112 ILE N N 112 119.783 119.783 121.505 -1.722 17849 627 1 1 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.826 0.265 17849 628 1 1 . 1 1 112 112 ILE C C 112 177.040 177.040 175.492 1.548 17849 629 1 1 . 1 1 112 112 ILE CA C 112 62.524 62.524 63.393 -0.869 17849 630 1 1 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.488 -0.144 17849 631 1 1 . 1 1 112 112 ILE H H 112 7.444 7.444 7.787 -0.343 17849 632 1 1 . 1 1 113 113 GLY N N 113 110.432 110.432 110.418 0.014 17849 633 1 1 . 1 1 113 113 GLY C C 113 174.442 174.442 173.818 0.624 17849 634 1 1 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.491 1.152 17849 635 1 1 . 1 1 113 113 GLY H H 113 8.148 8.148 8.007 0.141 17849 636 1 1 . 1 1 114 114 GLU N N 114 120.374 120.374 119.669 0.705 17849 637 1 1 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.021 0.245 17849 638 1 1 . 1 1 114 114 GLU C C 114 176.556 176.556 177.295 -0.739 17849 639 1 1 . 1 1 114 114 GLU CA C 114 56.773 56.773 58.893 -2.120 17849 640 1 1 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.878 0.412 17849 641 1 1 . 1 1 114 114 GLU H H 114 8.092 8.092 8.686 -0.594 17849 642 1 1 . 1 1 115 115 LYS N N 115 121.383 121.383 119.763 1.620 17849 643 1 1 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.218 0.117 17849 644 1 1 . 1 1 115 115 LYS C C 115 176.654 176.654 175.647 1.007 17849 645 1 1 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.324 -0.025 17849 646 1 1 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.012 1.827 17849 647 1 1 . 1 1 115 115 LYS H H 115 8.221 8.221 8.161 0.060 17849 648 1 1 . 1 1 116 116 LEU N N 116 123.146 123.146 122.392 0.754 17849 649 1 1 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.531 -0.110 17849 650 1 1 . 1 1 116 116 LEU C C 116 177.677 177.677 175.020 2.657 17849 651 1 1 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.336 0.984 17849 652 1 1 . 1 1 116 116 LEU CB C 116 42.309 42.309 45.242 -2.933 17849 653 1 1 . 1 1 116 116 LEU H H 116 8.265 8.265 8.275 -0.010 17849 654 1 1 . 1 1 117 117 THR N N 117 113.859 113.859 111.739 2.120 17849 655 1 1 . 1 1 117 117 THR HA H 117 4.337 4.337 4.609 -0.272 17849 656 1 1 . 1 1 117 117 THR C C 117 174.535 174.535 173.859 0.676 17849 657 1 1 . 1 1 117 117 THR CA C 117 61.824 61.824 61.283 0.541 17849 658 1 1 . 1 1 117 117 THR CB C 117 70.096 70.096 71.237 -1.141 17849 659 1 1 . 1 1 117 117 THR H H 117 8.182 8.182 8.054 0.128 17849 660 1 1 . 1 1 118 118 ASP N N 118 122.049 122.049 120.915 1.134 17849 661 1 1 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.708 -0.175 17849 662 1 1 . 1 1 118 118 ASP C C 118 176.728 176.728 175.916 0.812 17849 663 1 1 . 1 1 118 118 ASP CA C 118 55.218 55.218 54.539 0.679 17849 664 1 1 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.544 0.308 17849 665 1 1 . 1 1 118 118 ASP H H 118 8.367 8.367 8.937 -0.570 17849 666 1 1 . 1 1 119 119 ALA N N 119 123.432 123.432 119.921 3.511 17849 667 1 1 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.417 -0.198 17849 668 1 1 . 1 1 119 119 ALA C C 119 178.486 178.486 177.844 0.642 17849 669 1 1 . 1 1 119 119 ALA CA C 119 53.433 53.433 51.831 1.602 17849 670 1 1 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.711 0.364 17849 671 1 1 . 1 1 119 119 ALA H H 119 8.206 8.206 7.733 0.473 17849 672 1 1 . 1 1 120 120 GLU N N 120 118.592 118.592 120.049 -1.457 17849 673 1 1 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.080 0.102 17849 674 1 1 . 1 1 120 120 GLU C C 120 177.133 177.133 177.486 -0.353 17849 675 1 1 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.830 -1.725 17849 676 1 1 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.359 0.693 17849 677 1 1 . 1 1 120 120 GLU H H 120 8.187 8.187 8.166 0.021 17849 678 1 1 . 1 1 121 121 LEU N N 121 121.427 121.427 112.977 8.450 17849 679 1 1 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.544 -0.340 17849 680 1 1 . 1 1 121 121 LEU C C 121 177.710 177.710 176.776 0.934 17849 681 1 1 . 1 1 121 121 LEU CA C 121 55.752 55.752 54.933 0.819 17849 682 1 1 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.350 -1.092 17849 683 1 1 . 1 1 121 121 LEU H H 121 8.020 8.020 7.635 0.385 17849 684 1 1 . 1 1 122 122 GLU N N 122 119.850 119.850 120.837 -0.987 17849 685 1 1 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.820 0.307 17849 686 1 1 . 1 1 122 122 GLU C C 122 176.518 176.518 178.036 -1.518 17849 687 1 1 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.259 -0.245 17849 688 1 1 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.587 1.469 17849 689 1 1 . 1 1 122 122 GLU H H 122 8.118 8.118 8.132 -0.014 17849 690 1 1 . 1 1 123 123 HIS N N 123 118.817 118.817 123.555 -4.738 17849 691 1 1 . 1 1 123 123 HIS CA C 123 56.259 56.259 58.414 -2.155 17849 692 1 1 . 1 1 123 123 HIS H H 123 8.106 8.106 8.460 -0.354 17849 693 1 2 . 1 1 2 2 SER HA H 2 4.507 4.507 4.811 -0.304 17849 694 1 2 . 1 1 2 2 SER CA C 2 58.342 58.342 57.689 0.653 17849 695 1 2 . 1 1 2 2 SER CB C 2 63.883 63.883 64.229 -0.346 17849 696 1 2 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.987 -0.223 17849 697 1 2 . 1 1 3 3 ASN C C 3 174.784 174.784 174.656 0.128 17849 698 1 2 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.343 0.783 17849 699 1 2 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.240 -0.347 17849 700 1 2 . 1 1 4 4 LEU N N 4 121.466 121.466 120.096 1.370 17849 701 1 2 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.331 0.369 17849 702 1 2 . 1 1 4 4 LEU C C 4 177.665 177.665 177.143 0.522 17849 703 1 2 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.809 -1.297 17849 704 1 2 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.455 1.185 17849 705 1 2 . 1 1 4 4 LEU H H 4 8.097 8.097 8.505 -0.408 17849 706 1 2 . 1 1 5 5 THR N N 5 112.990 112.990 113.948 -0.958 17849 707 1 2 . 1 1 5 5 THR HA H 5 4.481 4.481 4.571 -0.090 17849 708 1 2 . 1 1 5 5 THR C C 5 175.474 175.474 175.426 0.048 17849 709 1 2 . 1 1 5 5 THR CA C 5 60.528 60.528 60.293 0.235 17849 710 1 2 . 1 1 5 5 THR CB C 5 71.244 71.244 71.267 -0.023 17849 711 1 2 . 1 1 5 5 THR H H 5 8.778 8.778 8.047 0.731 17849 712 1 2 . 1 1 6 6 GLU N N 6 120.343 120.343 120.475 -0.132 17849 713 1 2 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.907 0.095 17849 714 1 2 . 1 1 6 6 GLU C C 6 179.568 179.568 178.589 0.979 17849 715 1 2 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.206 -0.030 17849 716 1 2 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.166 0.059 17849 717 1 2 . 1 1 6 6 GLU H H 6 9.078 9.078 8.926 0.152 17849 718 1 2 . 1 1 7 7 GLU N N 7 119.544 119.544 120.019 -0.475 17849 719 1 2 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.863 0.248 17849 720 1 2 . 1 1 7 7 GLU C C 7 179.170 179.170 179.016 0.154 17849 721 1 2 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.306 0.731 17849 722 1 2 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.185 -0.068 17849 723 1 2 . 1 1 7 7 GLU H H 7 8.820 8.820 8.122 0.698 17849 724 1 2 . 1 1 8 8 GLN N N 8 119.824 119.824 118.001 1.823 17849 725 1 2 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.687 0.477 17849 726 1 2 . 1 1 8 8 GLN C C 8 179.652 179.652 178.113 1.539 17849 727 1 2 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.215 0.537 17849 728 1 2 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.276 1.463 17849 729 1 2 . 1 1 8 8 GLN H H 8 7.812 7.812 7.315 0.497 17849 730 1 2 . 1 1 9 9 ILE N N 9 120.978 120.978 120.602 0.376 17849 731 1 2 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.624 0.228 17849 732 1 2 . 1 1 9 9 ILE C C 9 177.899 177.899 178.095 -0.196 17849 733 1 2 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.650 0.926 17849 734 1 2 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.549 0.440 17849 735 1 2 . 1 1 9 9 ILE H H 9 8.634 8.634 8.147 0.487 17849 736 1 2 . 1 1 10 10 ALA N N 10 121.528 121.528 120.614 0.914 17849 737 1 2 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.008 0.098 17849 738 1 2 . 1 1 10 10 ALA C C 10 180.886 180.886 179.557 1.329 17849 739 1 2 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.465 -0.047 17849 740 1 2 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.926 -0.151 17849 741 1 2 . 1 1 10 10 ALA H H 10 8.142 8.142 8.269 -0.127 17849 742 1 2 . 1 1 11 11 GLU N N 11 118.807 118.807 118.874 -0.067 17849 743 1 2 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.100 0.114 17849 744 1 2 . 1 1 11 11 GLU C C 11 180.292 180.292 179.208 1.084 17849 745 1 2 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.662 0.702 17849 746 1 2 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.208 0.580 17849 747 1 2 . 1 1 11 11 GLU H H 11 7.810 7.810 7.757 0.053 17849 748 1 2 . 1 1 12 12 PHE N N 12 118.671 118.671 119.173 -0.502 17849 749 1 2 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.379 0.268 17849 750 1 2 . 1 1 12 12 PHE C C 12 179.032 179.032 178.493 0.539 17849 751 1 2 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.929 3.231 17849 752 1 2 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.828 1.187 17849 753 1 2 . 1 1 12 12 PHE H H 12 8.432 8.432 8.392 0.040 17849 754 1 2 . 1 1 13 13 LYS N N 13 123.536 123.536 118.524 5.012 17849 755 1 2 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.058 -0.218 17849 756 1 2 . 1 1 13 13 LYS C C 13 179.114 179.114 179.117 -0.003 17849 757 1 2 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.894 0.194 17849 758 1 2 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.182 -0.530 17849 759 1 2 . 1 1 13 13 LYS H H 13 8.981 8.981 8.605 0.376 17849 760 1 2 . 1 1 14 14 GLU N N 14 119.691 119.691 119.597 0.094 17849 761 1 2 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.343 -0.246 17849 762 1 2 . 1 1 14 14 GLU C C 14 179.285 179.285 178.531 0.754 17849 763 1 2 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.630 0.615 17849 764 1 2 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.971 -0.330 17849 765 1 2 . 1 1 14 14 GLU H H 14 7.737 7.737 8.250 -0.513 17849 766 1 2 . 1 1 15 15 ALA N N 15 120.127 120.127 122.612 -2.485 17849 767 1 2 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.267 -0.100 17849 768 1 2 . 1 1 15 15 ALA C C 15 178.607 178.607 179.634 -1.027 17849 769 1 2 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.130 -0.071 17849 770 1 2 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.674 0.457 17849 771 1 2 . 1 1 15 15 ALA H H 15 7.747 7.747 8.184 -0.437 17849 772 1 2 . 1 1 16 16 PHE N N 16 119.058 119.058 117.837 1.221 17849 773 1 2 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.163 -0.856 17849 774 1 2 . 1 1 16 16 PHE C C 16 177.236 177.236 176.267 0.969 17849 775 1 2 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.588 1.117 17849 776 1 2 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.577 0.175 17849 777 1 2 . 1 1 16 16 PHE H H 16 8.908 8.908 8.776 0.132 17849 778 1 2 . 1 1 17 17 ALA N N 17 119.352 119.352 122.452 -3.100 17849 779 1 2 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.148 -0.025 17849 780 1 2 . 1 1 17 17 ALA C C 17 178.680 178.680 178.525 0.155 17849 781 1 2 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.396 0.143 17849 782 1 2 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.475 -0.260 17849 783 1 2 . 1 1 17 17 ALA H H 17 7.877 7.877 8.224 -0.347 17849 784 1 2 . 1 1 18 18 LEU N N 18 115.281 115.281 117.702 -2.421 17849 785 1 2 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.095 -0.040 17849 786 1 2 . 1 1 18 18 LEU C C 18 178.393 178.393 177.989 0.404 17849 787 1 2 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.263 -0.621 17849 788 1 2 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.750 -0.007 17849 789 1 2 . 1 1 18 18 LEU H H 18 7.369 7.369 7.934 -0.565 17849 790 1 2 . 1 1 19 19 PHE N N 19 115.719 115.719 115.067 0.652 17849 791 1 2 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.395 -0.186 17849 792 1 2 . 1 1 19 19 PHE C C 19 176.704 176.704 176.152 0.552 17849 793 1 2 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.841 -0.608 17849 794 1 2 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.545 1.125 17849 795 1 2 . 1 1 19 19 PHE H H 19 7.468 7.468 7.542 -0.074 17849 796 1 2 . 1 1 20 20 ASP N N 20 117.209 117.209 118.934 -1.725 17849 797 1 2 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.535 -0.074 17849 798 1 2 . 1 1 20 20 ASP C C 20 176.557 176.557 175.963 0.594 17849 799 1 2 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.829 -2.584 17849 800 1 2 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.224 -3.077 17849 801 1 2 . 1 1 20 20 ASP H H 20 7.488 7.488 7.875 -0.387 17849 802 1 2 . 1 1 21 21 LYS N N 21 124.086 124.086 123.568 0.518 17849 803 1 2 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.178 -0.180 17849 804 1 2 . 1 1 21 21 LYS C C 21 177.844 177.844 177.674 0.170 17849 805 1 2 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.098 0.210 17849 806 1 2 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.938 -0.486 17849 807 1 2 . 1 1 21 21 LYS H H 21 7.376 7.376 8.516 -1.140 17849 808 1 2 . 1 1 22 22 ASP N N 22 114.097 114.097 115.548 -1.451 17849 809 1 2 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.617 -0.013 17849 810 1 2 . 1 1 22 22 ASP C C 22 176.349 176.349 175.805 0.544 17849 811 1 2 . 1 1 22 22 ASP CA C 22 52.703 52.703 52.908 -0.205 17849 812 1 2 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.402 -1.047 17849 813 1 2 . 1 1 22 22 ASP H H 22 8.113 8.113 8.171 -0.058 17849 814 1 2 . 1 1 23 23 ASN N N 23 115.562 115.562 118.302 -2.740 17849 815 1 2 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.561 -0.166 17849 816 1 2 . 1 1 23 23 ASN C C 23 174.864 174.864 174.823 0.041 17849 817 1 2 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.693 0.707 17849 818 1 2 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.761 0.163 17849 819 1 2 . 1 1 23 23 ASN H H 23 8.048 8.048 8.466 -0.418 17849 820 1 2 . 1 1 24 24 ASN N N 24 117.615 117.615 116.839 0.776 17849 821 1 2 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.728 0.107 17849 822 1 2 . 1 1 24 24 ASN C C 24 177.445 177.445 176.007 1.438 17849 823 1 2 . 1 1 24 24 ASN CA C 24 52.415 52.415 52.916 -0.501 17849 824 1 2 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.182 -0.701 17849 825 1 2 . 1 1 24 24 ASN H H 24 8.517 8.517 8.588 -0.071 17849 826 1 2 . 1 1 25 25 GLY N N 25 114.308 114.308 107.276 7.032 17849 827 1 2 . 1 1 25 25 GLY C C 25 173.105 173.105 173.460 -0.355 17849 828 1 2 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.034 0.446 17849 829 1 2 . 1 1 25 25 GLY H H 25 10.729 10.729 8.167 2.562 17849 830 1 2 . 1 1 26 26 SER N N 26 113.267 113.267 116.184 -2.917 17849 831 1 2 . 1 1 26 26 SER HA H 26 5.330 5.330 5.626 -0.296 17849 832 1 2 . 1 1 26 26 SER C C 26 172.610 172.610 173.991 -1.381 17849 833 1 2 . 1 1 26 26 SER CA C 26 57.375 57.375 56.828 0.547 17849 834 1 2 . 1 1 26 26 SER CB C 26 66.504 66.504 65.855 0.649 17849 835 1 2 . 1 1 26 26 SER H H 26 7.773 7.773 8.528 -0.755 17849 836 1 2 . 1 1 27 27 ILE N N 27 127.124 127.124 125.567 1.557 17849 837 1 2 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.718 0.170 17849 838 1 2 . 1 1 27 27 ILE C C 27 175.876 175.876 175.697 0.179 17849 839 1 2 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.312 -0.276 17849 840 1 2 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.282 -1.386 17849 841 1 2 . 1 1 27 27 ILE H H 27 9.848 9.848 8.271 1.577 17849 842 1 2 . 1 1 28 28 SER N N 28 124.825 124.825 120.182 4.643 17849 843 1 2 . 1 1 28 28 SER HA H 28 4.771 4.771 5.236 -0.465 17849 844 1 2 . 1 1 28 28 SER C C 28 175.395 175.395 175.519 -0.124 17849 845 1 2 . 1 1 28 28 SER CA C 28 56.680 56.680 55.471 1.209 17849 846 1 2 . 1 1 28 28 SER CB C 28 66.154 66.154 65.618 0.536 17849 847 1 2 . 1 1 28 28 SER H H 28 9.347 9.347 8.273 1.074 17849 848 1 2 . 1 1 29 29 SER N N 29 116.882 116.882 118.985 -2.103 17849 849 1 2 . 1 1 29 29 SER HA H 29 4.144 4.144 4.364 -0.220 17849 850 1 2 . 1 1 29 29 SER C C 29 176.516 176.516 176.208 0.308 17849 851 1 2 . 1 1 29 29 SER CA C 29 62.634 62.634 61.547 1.087 17849 852 1 2 . 1 1 29 29 SER CB C 29 62.227 62.227 62.907 -0.680 17849 853 1 2 . 1 1 29 29 SER H H 29 9.604 9.604 9.140 0.464 17849 854 1 2 . 1 1 30 30 SER N N 30 116.141 116.141 117.011 -0.870 17849 855 1 2 . 1 1 30 30 SER HA H 30 4.327 4.327 4.335 -0.008 17849 856 1 2 . 1 1 30 30 SER C C 30 177.965 177.965 175.991 1.974 17849 857 1 2 . 1 1 30 30 SER CA C 30 61.341 61.341 61.304 0.037 17849 858 1 2 . 1 1 30 30 SER CB C 30 62.429 62.429 63.403 -0.974 17849 859 1 2 . 1 1 30 30 SER H H 30 8.184 8.184 7.989 0.195 17849 860 1 2 . 1 1 31 31 GLU N N 31 124.933 124.933 122.600 2.333 17849 861 1 2 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.224 -0.133 17849 862 1 2 . 1 1 31 31 GLU C C 31 179.355 179.355 178.393 0.962 17849 863 1 2 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.654 0.788 17849 864 1 2 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.733 -0.398 17849 865 1 2 . 1 1 31 31 GLU H H 31 7.973 7.973 7.524 0.449 17849 866 1 2 . 1 1 32 32 LEU N N 32 120.778 120.778 120.605 0.173 17849 867 1 2 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.462 -0.295 17849 868 1 2 . 1 1 32 32 LEU C C 32 178.364 178.364 178.205 0.159 17849 869 1 2 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.180 1.167 17849 870 1 2 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.387 -0.276 17849 871 1 2 . 1 1 32 32 LEU H H 32 8.616 8.616 8.131 0.485 17849 872 1 2 . 1 1 33 33 ALA N N 33 120.423 120.423 120.613 -0.190 17849 873 1 2 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.899 -0.023 17849 874 1 2 . 1 1 33 33 ALA C C 33 179.394 179.394 179.228 0.166 17849 875 1 2 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.520 0.268 17849 876 1 2 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.802 0.716 17849 877 1 2 . 1 1 33 33 ALA H H 33 8.688 8.688 7.933 0.755 17849 878 1 2 . 1 1 34 34 THR N N 34 114.299 114.299 113.163 1.136 17849 879 1 2 . 1 1 34 34 THR HA H 34 3.902 3.902 3.981 -0.079 17849 880 1 2 . 1 1 34 34 THR C C 34 177.161 177.161 176.554 0.607 17849 881 1 2 . 1 1 34 34 THR CA C 34 67.173 67.173 66.574 0.599 17849 882 1 2 . 1 1 34 34 THR CB C 34 68.712 68.712 68.796 -0.084 17849 883 1 2 . 1 1 34 34 THR H H 34 8.219 8.219 7.653 0.566 17849 884 1 2 . 1 1 35 35 VAL N N 35 122.638 122.638 119.774 2.864 17849 885 1 2 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.597 -0.013 17849 886 1 2 . 1 1 35 35 VAL C C 35 178.403 178.403 177.359 1.044 17849 887 1 2 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.441 0.443 17849 888 1 2 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.065 0.296 17849 889 1 2 . 1 1 35 35 VAL H H 35 7.791 7.791 8.205 -0.414 17849 890 1 2 . 1 1 36 36 MET N N 36 117.307 117.307 119.308 -2.001 17849 891 1 2 . 1 1 36 36 MET HA H 36 3.906 3.906 4.185 -0.279 17849 892 1 2 . 1 1 36 36 MET C C 36 178.456 178.456 178.368 0.088 17849 893 1 2 . 1 1 36 36 MET CA C 36 59.787 59.787 57.704 2.083 17849 894 1 2 . 1 1 36 36 MET CB C 36 32.548 32.548 30.979 1.569 17849 895 1 2 . 1 1 36 36 MET H H 36 8.308 8.308 7.402 0.906 17849 896 1 2 . 1 1 37 37 ARG N N 37 118.384 118.384 117.743 0.641 17849 897 1 2 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.201 0.556 17849 898 1 2 . 1 1 37 37 ARG C C 37 181.371 181.371 178.878 2.493 17849 899 1 2 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.605 0.282 17849 900 1 2 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.226 0.872 17849 901 1 2 . 1 1 37 37 ARG H H 37 8.634 8.634 8.372 0.262 17849 902 1 2 . 1 1 38 38 SER N N 38 118.916 118.916 114.454 4.462 17849 903 1 2 . 1 1 38 38 SER HA H 38 4.339 4.339 4.289 0.050 17849 904 1 2 . 1 1 38 38 SER C C 38 174.705 174.705 176.386 -1.681 17849 905 1 2 . 1 1 38 38 SER CA C 38 61.793 61.793 60.513 1.280 17849 906 1 2 . 1 1 38 38 SER CB C 38 62.713 62.713 63.353 -0.640 17849 907 1 2 . 1 1 38 38 SER H H 38 8.226 8.226 7.441 0.785 17849 908 1 2 . 1 1 39 39 LEU N N 39 119.948 119.948 120.938 -0.990 17849 909 1 2 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.929 0.367 17849 910 1 2 . 1 1 39 39 LEU C C 39 176.723 176.723 177.904 -1.181 17849 911 1 2 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.993 -3.433 17849 912 1 2 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.482 -0.493 17849 913 1 2 . 1 1 39 39 LEU H H 39 7.331 7.331 8.065 -0.734 17849 914 1 2 . 1 1 40 40 GLY N N 40 105.997 105.997 102.952 3.045 17849 915 1 2 . 1 1 40 40 GLY C C 40 174.405 174.405 173.565 0.840 17849 916 1 2 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.048 0.140 17849 917 1 2 . 1 1 40 40 GLY H H 40 7.889 7.889 7.851 0.038 17849 918 1 2 . 1 1 41 41 LEU N N 41 120.071 120.071 120.152 -0.081 17849 919 1 2 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.982 -0.496 17849 920 1 2 . 1 1 41 41 LEU C C 41 175.829 175.829 175.245 0.584 17849 921 1 2 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.104 1.083 17849 922 1 2 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.562 -0.989 17849 923 1 2 . 1 1 41 41 LEU H H 41 7.592 7.592 7.707 -0.115 17849 924 1 2 . 1 1 42 42 SER N N 42 112.869 112.869 115.763 -2.894 17849 925 1 2 . 1 1 42 42 SER HA H 42 4.797 4.797 4.806 -0.009 17849 926 1 2 . 1 1 42 42 SER CA C 42 54.960 54.960 56.139 -1.179 17849 927 1 2 . 1 1 42 42 SER CB C 42 63.177 63.177 64.201 -1.024 17849 928 1 2 . 1 1 42 42 SER H H 42 8.761 8.761 8.303 0.458 17849 929 1 2 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.702 0.006 17849 930 1 2 . 1 1 43 43 PRO C C 43 177.533 177.533 176.618 0.915 17849 931 1 2 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.314 -0.139 17849 932 1 2 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.377 -0.503 17849 933 1 2 . 1 1 44 44 SER N N 44 119.089 119.089 119.096 -0.007 17849 934 1 2 . 1 1 44 44 SER HA H 44 4.574 4.574 4.432 0.142 17849 935 1 2 . 1 1 44 44 SER C C 44 174.803 174.803 175.806 -1.003 17849 936 1 2 . 1 1 44 44 SER CA C 44 56.786 56.786 58.224 -1.438 17849 937 1 2 . 1 1 44 44 SER CB C 44 65.387 65.387 64.275 1.112 17849 938 1 2 . 1 1 44 44 SER H H 44 9.014 9.014 8.324 0.690 17849 939 1 2 . 1 1 45 45 GLU N N 45 121.343 121.343 126.363 -5.020 17849 940 1 2 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.836 0.108 17849 941 1 2 . 1 1 45 45 GLU C C 45 178.978 178.978 178.241 0.737 17849 942 1 2 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.483 -0.377 17849 943 1 2 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.589 -0.286 17849 944 1 2 . 1 1 45 45 GLU H H 45 8.925 8.925 9.032 -0.107 17849 945 1 2 . 1 1 46 46 ALA N N 46 120.822 120.822 119.156 1.666 17849 946 1 2 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.082 0.064 17849 947 1 2 . 1 1 46 46 ALA C C 46 179.782 179.782 179.412 0.370 17849 948 1 2 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.487 0.599 17849 949 1 2 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.962 0.294 17849 950 1 2 . 1 1 46 46 ALA H H 46 8.339 8.339 8.359 -0.020 17849 951 1 2 . 1 1 47 47 GLU N N 47 118.432 118.432 118.564 -0.132 17849 952 1 2 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.236 -0.162 17849 953 1 2 . 1 1 47 47 GLU C C 47 180.222 180.222 178.640 1.582 17849 954 1 2 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.413 0.796 17849 955 1 2 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.990 -0.105 17849 956 1 2 . 1 1 47 47 GLU H H 47 7.759 7.759 7.940 -0.181 17849 957 1 2 . 1 1 48 48 VAL N N 48 120.023 120.023 119.813 0.210 17849 958 1 2 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.700 -0.202 17849 959 1 2 . 1 1 48 48 VAL C C 48 177.380 177.380 177.343 0.037 17849 960 1 2 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.420 0.838 17849 961 1 2 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.682 -0.321 17849 962 1 2 . 1 1 48 48 VAL H H 48 8.174 8.174 8.361 -0.187 17849 963 1 2 . 1 1 49 49 ASN N N 49 118.475 118.475 116.679 1.796 17849 964 1 2 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.411 -0.006 17849 965 1 2 . 1 1 49 49 ASN C C 49 177.352 177.352 175.877 1.475 17849 966 1 2 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.522 0.188 17849 967 1 2 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.305 -0.035 17849 968 1 2 . 1 1 49 49 ASN H H 49 8.208 8.208 8.479 -0.271 17849 969 1 2 . 1 1 50 50 ASP N N 50 120.147 120.147 119.580 0.567 17849 970 1 2 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.548 -0.066 17849 971 1 2 . 1 1 50 50 ASP C C 50 178.973 178.973 179.074 -0.101 17849 972 1 2 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.379 1.061 17849 973 1 2 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.510 -1.330 17849 974 1 2 . 1 1 50 50 ASP H H 50 8.400 8.400 7.480 0.920 17849 975 1 2 . 1 1 51 51 LEU N N 51 121.706 121.706 121.749 -0.043 17849 976 1 2 . 1 1 51 51 LEU HA H 51 4.108 4.108 3.946 0.162 17849 977 1 2 . 1 1 51 51 LEU C C 51 178.796 178.796 179.590 -0.794 17849 978 1 2 . 1 1 51 51 LEU CA C 51 58.132 58.132 58.043 0.089 17849 979 1 2 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.710 0.180 17849 980 1 2 . 1 1 51 51 LEU H H 51 7.830 7.830 7.656 0.174 17849 981 1 2 . 1 1 52 52 MET N N 52 117.267 117.267 114.490 2.777 17849 982 1 2 . 1 1 52 52 MET HA H 52 4.145 4.145 4.189 -0.044 17849 983 1 2 . 1 1 52 52 MET C C 52 178.260 178.260 178.011 0.249 17849 984 1 2 . 1 1 52 52 MET CA C 52 57.418 57.418 57.459 -0.041 17849 985 1 2 . 1 1 52 52 MET CB C 52 30.089 30.089 30.968 -0.879 17849 986 1 2 . 1 1 52 52 MET H H 52 8.601 8.601 8.815 -0.214 17849 987 1 2 . 1 1 53 53 ASN N N 53 115.368 115.368 117.283 -1.915 17849 988 1 2 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.681 -0.108 17849 989 1 2 . 1 1 53 53 ASN C C 53 176.890 176.890 176.299 0.591 17849 990 1 2 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.932 -0.600 17849 991 1 2 . 1 1 53 53 ASN CB C 53 38.154 38.154 39.030 -0.876 17849 992 1 2 . 1 1 53 53 ASN H H 53 8.239 8.239 8.262 -0.023 17849 993 1 2 . 1 1 54 54 GLU N N 54 117.437 117.437 117.672 -0.235 17849 994 1 2 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.146 0.104 17849 995 1 2 . 1 1 54 54 GLU C C 54 177.019 177.019 177.995 -0.976 17849 996 1 2 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.665 -0.978 17849 997 1 2 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.689 0.404 17849 998 1 2 . 1 1 54 54 GLU H H 54 7.625 7.625 8.074 -0.449 17849 999 1 2 . 1 1 55 55 ILE N N 55 117.098 117.098 117.857 -0.759 17849 1000 1 2 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.965 -0.064 17849 1001 1 2 . 1 1 55 55 ILE C C 55 176.027 176.027 175.703 0.324 17849 1002 1 2 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.521 0.116 17849 1003 1 2 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.378 1.658 17849 1004 1 2 . 1 1 55 55 ILE H H 55 7.496 7.496 7.253 0.243 17849 1005 1 2 . 1 1 56 56 ASP N N 56 118.367 118.367 120.554 -2.187 17849 1006 1 2 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.790 -0.373 17849 1007 1 2 . 1 1 56 56 ASP C C 56 175.761 175.761 176.212 -0.451 17849 1008 1 2 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.628 -0.221 17849 1009 1 2 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.486 -0.253 17849 1010 1 2 . 1 1 56 56 ASP H H 56 8.329 8.329 7.618 0.711 17849 1011 1 2 . 1 1 57 57 VAL N N 57 126.262 126.262 123.218 3.044 17849 1012 1 2 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.995 0.011 17849 1013 1 2 . 1 1 57 57 VAL C C 57 177.253 177.253 176.703 0.550 17849 1014 1 2 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.961 0.264 17849 1015 1 2 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.319 0.867 17849 1016 1 2 . 1 1 57 57 VAL H H 57 8.116 8.116 8.302 -0.186 17849 1017 1 2 . 1 1 58 58 ASP N N 58 116.896 116.896 118.799 -1.903 17849 1018 1 2 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.610 -0.038 17849 1019 1 2 . 1 1 58 58 ASP C C 58 177.670 177.670 176.674 0.996 17849 1020 1 2 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.921 -0.116 17849 1021 1 2 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.245 -1.252 17849 1022 1 2 . 1 1 58 58 ASP H H 58 8.356 8.356 8.111 0.245 17849 1023 1 2 . 1 1 59 59 GLY N N 59 107.989 107.989 108.449 -0.460 17849 1024 1 2 . 1 1 59 59 GLY C C 59 174.661 174.661 174.982 -0.321 17849 1025 1 2 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.281 1.798 17849 1026 1 2 . 1 1 59 59 GLY H H 59 7.622 7.622 8.079 -0.457 17849 1027 1 2 . 1 1 60 60 ASN N N 60 118.703 118.703 118.581 0.122 17849 1028 1 2 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.308 0.234 17849 1029 1 2 . 1 1 60 60 ASN C C 60 175.787 175.787 174.488 1.299 17849 1030 1 2 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.549 -0.266 17849 1031 1 2 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.853 -1.669 17849 1032 1 2 . 1 1 60 60 ASN H H 60 8.096 8.096 8.480 -0.384 17849 1033 1 2 . 1 1 61 61 HIS N N 61 117.475 117.475 112.566 4.909 17849 1034 1 2 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.440 -0.572 17849 1035 1 2 . 1 1 61 61 HIS C C 61 172.407 172.407 173.311 -0.904 17849 1036 1 2 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.793 -0.365 17849 1037 1 2 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.429 0.544 17849 1038 1 2 . 1 1 61 61 HIS H H 61 9.998 9.998 7.797 2.201 17849 1039 1 2 . 1 1 62 62 GLN N N 62 112.629 112.629 116.005 -3.376 17849 1040 1 2 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.267 -0.458 17849 1041 1 2 . 1 1 62 62 GLN C C 62 174.654 174.654 174.700 -0.046 17849 1042 1 2 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.734 -0.926 17849 1043 1 2 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.783 -0.658 17849 1044 1 2 . 1 1 62 62 GLN H H 62 7.541 7.541 8.549 -1.008 17849 1045 1 2 . 1 1 63 63 ILE N N 63 123.800 123.800 125.280 -1.480 17849 1046 1 2 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.305 0.741 17849 1047 1 2 . 1 1 63 63 ILE C C 63 176.626 176.626 176.448 0.178 17849 1048 1 2 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.425 1.468 17849 1049 1 2 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.773 1.407 17849 1050 1 2 . 1 1 63 63 ILE H H 63 9.312 9.312 8.834 0.478 17849 1051 1 2 . 1 1 64 64 GLU N N 64 128.941 128.941 128.199 0.742 17849 1052 1 2 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.614 0.362 17849 1053 1 2 . 1 1 64 64 GLU C C 64 178.001 178.001 177.798 0.203 17849 1054 1 2 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.880 1.840 17849 1055 1 2 . 1 1 64 64 GLU CB C 64 31.228 31.228 31.591 -0.363 17849 1056 1 2 . 1 1 64 64 GLU H H 64 8.846 8.846 8.755 0.091 17849 1057 1 2 . 1 1 65 65 PHE N N 65 124.119 124.119 124.420 -0.301 17849 1058 1 2 . 1 1 65 65 PHE HA H 65 3.526 3.526 3.862 -0.336 17849 1059 1 2 . 1 1 65 65 PHE C C 65 176.981 176.981 176.467 0.514 17849 1060 1 2 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.173 1.091 17849 1061 1 2 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.043 -1.219 17849 1062 1 2 . 1 1 65 65 PHE H H 65 9.488 9.488 8.790 0.698 17849 1063 1 2 . 1 1 66 66 SER N N 66 112.445 112.445 113.984 -1.539 17849 1064 1 2 . 1 1 66 66 SER HA H 66 3.667 3.667 4.041 -0.374 17849 1065 1 2 . 1 1 66 66 SER C C 66 177.385 177.385 176.025 1.360 17849 1066 1 2 . 1 1 66 66 SER CA C 66 61.503 61.503 61.880 -0.377 17849 1067 1 2 . 1 1 66 66 SER CB C 66 61.285 61.285 62.996 -1.711 17849 1068 1 2 . 1 1 66 66 SER H H 66 8.972 8.972 8.520 0.452 17849 1069 1 2 . 1 1 67 67 GLU N N 67 122.775 122.775 123.353 -0.578 17849 1070 1 2 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.975 0.145 17849 1071 1 2 . 1 1 67 67 GLU C C 67 178.567 178.567 178.630 -0.063 17849 1072 1 2 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.072 -1.229 17849 1073 1 2 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.674 -0.425 17849 1074 1 2 . 1 1 67 67 GLU H H 67 6.799 6.799 7.777 -0.978 17849 1075 1 2 . 1 1 68 68 PHE N N 68 123.231 123.231 119.869 3.362 17849 1076 1 2 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.046 -0.215 17849 1077 1 2 . 1 1 68 68 PHE C C 68 175.936 175.936 177.518 -1.582 17849 1078 1 2 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.471 -0.355 17849 1079 1 2 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.356 0.859 17849 1080 1 2 . 1 1 68 68 PHE H H 68 8.176 8.176 8.843 -0.667 17849 1081 1 2 . 1 1 69 69 LEU N N 69 118.554 118.554 118.115 0.439 17849 1082 1 2 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.595 -0.429 17849 1083 1 2 . 1 1 69 69 LEU C C 69 179.074 179.074 178.634 0.440 17849 1084 1 2 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.563 -0.431 17849 1085 1 2 . 1 1 69 69 LEU CB C 69 41.266 41.266 40.988 0.278 17849 1086 1 2 . 1 1 69 69 LEU H H 69 8.626 8.626 7.705 0.921 17849 1087 1 2 . 1 1 70 70 ALA N N 70 120.878 120.878 121.881 -1.003 17849 1088 1 2 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.915 -0.030 17849 1089 1 2 . 1 1 70 70 ALA C C 70 179.914 179.914 179.993 -0.079 17849 1090 1 2 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.426 0.544 17849 1091 1 2 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.913 -0.136 17849 1092 1 2 . 1 1 70 70 ALA H H 70 7.322 7.322 7.683 -0.361 17849 1093 1 2 . 1 1 71 71 LEU N N 71 118.871 118.871 116.907 1.964 17849 1094 1 2 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.630 0.298 17849 1095 1 2 . 1 1 71 71 LEU C C 71 178.009 178.009 178.097 -0.088 17849 1096 1 2 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.960 0.784 17849 1097 1 2 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.164 0.248 17849 1098 1 2 . 1 1 71 71 LEU H H 71 7.219 7.219 7.742 -0.523 17849 1099 1 2 . 1 1 72 72 MET N N 72 113.480 113.480 112.735 0.745 17849 1100 1 2 . 1 1 72 72 MET HA H 72 4.165 4.165 4.412 -0.247 17849 1101 1 2 . 1 1 72 72 MET CA C 72 55.413 55.413 55.812 -0.399 17849 1102 1 2 . 1 1 72 72 MET CB C 72 31.199 31.199 33.345 -2.146 17849 1103 1 2 . 1 1 72 72 MET H H 72 7.486 7.486 7.509 -0.023 17849 1104 1 2 . 1 1 73 73 SER HA H 73 4.337 4.337 4.410 -0.073 17849 1105 1 2 . 1 1 73 73 SER C C 73 174.241 174.241 174.570 -0.329 17849 1106 1 2 . 1 1 73 73 SER CA C 73 59.132 59.132 59.010 0.122 17849 1107 1 2 . 1 1 73 73 SER CB C 73 63.649 63.649 63.757 -0.108 17849 1108 1 2 . 1 1 73 73 SER H H 73 7.699 7.699 7.731 -0.032 17849 1109 1 2 . 1 1 74 74 ARG N N 74 121.213 121.213 120.048 1.165 17849 1110 1 2 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.509 -0.298 17849 1111 1 2 . 1 1 74 74 ARG C C 74 175.638 175.638 175.514 0.124 17849 1112 1 2 . 1 1 74 74 ARG CA C 74 56.850 56.850 54.456 2.394 17849 1113 1 2 . 1 1 74 74 ARG CB C 74 30.672 30.672 31.289 -0.617 17849 1114 1 2 . 1 1 74 74 ARG H H 74 7.400 7.400 7.089 0.311 17849 1115 1 2 . 1 1 75 75 GLN N N 75 118.914 118.914 115.243 3.671 17849 1116 1 2 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.577 1.738 17849 1117 1 2 . 1 1 75 75 GLN H H 75 8.090 8.090 8.612 -0.522 17849 1118 1 2 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.407 -0.020 17849 1119 1 2 . 1 1 77 77 LYS C C 77 176.410 176.410 176.302 0.108 17849 1120 1 2 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.340 -0.298 17849 1121 1 2 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.932 0.225 17849 1122 1 2 . 1 1 78 78 SER N N 78 116.257 116.257 117.970 -1.713 17849 1123 1 2 . 1 1 78 78 SER HA H 78 4.422 4.422 4.167 0.255 17849 1124 1 2 . 1 1 78 78 SER C C 78 174.436 174.436 174.910 -0.474 17849 1125 1 2 . 1 1 78 78 SER CA C 78 58.366 58.366 58.934 -0.568 17849 1126 1 2 . 1 1 78 78 SER CB C 78 63.855 63.855 61.871 1.984 17849 1127 1 2 . 1 1 78 78 SER H H 78 8.332 8.332 8.883 -0.551 17849 1128 1 2 . 1 1 79 79 ASN N N 79 120.267 120.267 117.713 2.554 17849 1129 1 2 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.483 0.244 17849 1130 1 2 . 1 1 79 79 ASN C C 79 174.966 174.966 175.826 -0.860 17849 1131 1 2 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.862 -0.395 17849 1132 1 2 . 1 1 79 79 ASN CB C 79 38.869 38.869 38.490 0.379 17849 1133 1 2 . 1 1 79 79 ASN H H 79 8.548 8.548 8.152 0.396 17849 1134 1 2 . 1 1 80 80 ASP N N 80 119.659 119.659 117.656 2.003 17849 1135 1 2 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.471 0.146 17849 1136 1 2 . 1 1 80 80 ASP C C 80 176.412 176.412 174.821 1.591 17849 1137 1 2 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.876 -0.166 17849 1138 1 2 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.615 1.608 17849 1139 1 2 . 1 1 80 80 ASP H H 80 8.325 8.325 8.390 -0.065 17849 1140 1 2 . 1 1 81 81 SER N N 81 115.425 115.425 114.074 1.351 17849 1141 1 2 . 1 1 81 81 SER HA H 81 4.414 4.414 4.610 -0.196 17849 1142 1 2 . 1 1 81 81 SER C C 81 174.733 174.733 172.380 2.353 17849 1143 1 2 . 1 1 81 81 SER CA C 81 59.183 59.183 57.212 1.971 17849 1144 1 2 . 1 1 81 81 SER CB C 81 63.784 63.784 65.349 -1.565 17849 1145 1 2 . 1 1 81 81 SER H H 81 8.256 8.256 7.824 0.432 17849 1146 1 2 . 1 1 82 82 GLU N N 82 121.456 121.456 121.188 0.268 17849 1147 1 2 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.221 0.102 17849 1148 1 2 . 1 1 82 82 GLU C C 82 176.385 176.385 175.752 0.633 17849 1149 1 2 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.223 -0.495 17849 1150 1 2 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.197 -0.325 17849 1151 1 2 . 1 1 82 82 GLU H H 82 8.375 8.375 8.451 -0.076 17849 1152 1 2 . 1 1 83 83 GLN N N 83 120.069 120.069 121.353 -1.284 17849 1153 1 2 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.363 -0.058 17849 1154 1 2 . 1 1 83 83 GLN C C 83 176.054 176.054 175.992 0.062 17849 1155 1 2 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.603 0.544 17849 1156 1 2 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.266 0.037 17849 1157 1 2 . 1 1 83 83 GLN H H 83 8.233 8.233 8.804 -0.571 17849 1158 1 2 . 1 1 84 84 GLU N N 84 122.390 122.390 119.515 2.875 17849 1159 1 2 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.282 0.009 17849 1160 1 2 . 1 1 84 84 GLU C C 84 177.528 177.528 177.657 -0.129 17849 1161 1 2 . 1 1 84 84 GLU CA C 84 57.198 57.198 57.159 0.039 17849 1162 1 2 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.241 0.872 17849 1163 1 2 . 1 1 84 84 GLU H H 84 8.567 8.567 8.577 -0.010 17849 1164 1 2 . 1 1 85 85 LEU N N 85 122.788 122.788 120.460 2.328 17849 1165 1 2 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.192 0.003 17849 1166 1 2 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.869 -1.352 17849 1167 1 2 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.528 0.888 17849 1168 1 2 . 1 1 85 85 LEU H H 85 8.434 8.434 7.915 0.519 17849 1169 1 2 . 1 1 86 86 LEU N N 86 119.558 119.558 115.592 3.966 17849 1170 1 2 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.088 0.069 17849 1171 1 2 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.593 -1.474 17849 1172 1 2 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.151 0.407 17849 1173 1 2 . 1 1 86 86 LEU H H 86 8.037 8.037 7.995 0.042 17849 1174 1 2 . 1 1 87 87 GLU N N 87 121.323 121.323 118.638 2.685 17849 1175 1 2 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.086 -0.163 17849 1176 1 2 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.881 0.666 17849 1177 1 2 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.420 -0.077 17849 1178 1 2 . 1 1 87 87 GLU H H 87 8.192 8.192 8.661 -0.469 17849 1179 1 2 . 1 1 88 88 ALA N N 88 119.942 119.942 120.960 -1.018 17849 1180 1 2 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.379 -0.303 17849 1181 1 2 . 1 1 88 88 ALA C C 88 178.281 178.281 178.060 0.221 17849 1182 1 2 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.509 0.972 17849 1183 1 2 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.618 -0.808 17849 1184 1 2 . 1 1 88 88 ALA H H 88 8.363 8.363 7.841 0.522 17849 1185 1 2 . 1 1 89 89 PHE N N 89 111.807 111.807 117.198 -5.391 17849 1186 1 2 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.714 -0.225 17849 1187 1 2 . 1 1 89 89 PHE C C 89 176.632 176.632 176.089 0.543 17849 1188 1 2 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.817 1.661 17849 1189 1 2 . 1 1 89 89 PHE CB C 89 38.642 38.642 40.054 -1.412 17849 1190 1 2 . 1 1 89 89 PHE H H 89 7.855 7.855 8.132 -0.277 17849 1191 1 2 . 1 1 90 90 LYS N N 90 120.375 120.375 122.215 -1.840 17849 1192 1 2 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.187 -0.189 17849 1193 1 2 . 1 1 90 90 LYS C C 90 178.490 178.490 178.082 0.408 17849 1194 1 2 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.604 1.390 17849 1195 1 2 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.177 -0.263 17849 1196 1 2 . 1 1 90 90 LYS H H 90 7.957 7.957 7.992 -0.035 17849 1197 1 2 . 1 1 91 91 VAL N N 91 116.643 116.643 118.067 -1.424 17849 1198 1 2 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.705 0.169 17849 1199 1 2 . 1 1 91 91 VAL C C 91 175.413 175.413 176.366 -0.953 17849 1200 1 2 . 1 1 91 91 VAL CA C 91 63.693 63.693 64.788 -1.095 17849 1201 1 2 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.725 -0.491 17849 1202 1 2 . 1 1 91 91 VAL H H 91 7.389 7.389 8.078 -0.689 17849 1203 1 2 . 1 1 92 92 PHE N N 92 115.769 115.769 115.370 0.399 17849 1204 1 2 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.370 0.150 17849 1205 1 2 . 1 1 92 92 PHE CA C 92 59.175 59.175 60.075 -0.900 17849 1206 1 2 . 1 1 92 92 PHE CB C 92 40.234 40.234 39.706 0.528 17849 1207 1 2 . 1 1 92 92 PHE H H 92 7.534 7.534 7.530 0.004 17849 1208 1 2 . 1 1 93 93 ASP N N 93 115.397 115.397 118.450 -3.053 17849 1209 1 2 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.984 -0.126 17849 1210 1 2 . 1 1 93 93 ASP C C 93 177.421 177.421 176.294 1.127 17849 1211 1 2 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.976 -0.510 17849 1212 1 2 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.836 -1.855 17849 1213 1 2 . 1 1 93 93 ASP H H 93 7.543 7.543 8.089 -0.546 17849 1214 1 2 . 1 1 94 94 LYS N N 94 125.591 125.591 124.894 0.697 17849 1215 1 2 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.313 -0.234 17849 1216 1 2 . 1 1 94 94 LYS C C 94 177.856 177.856 177.197 0.659 17849 1217 1 2 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.620 1.310 17849 1218 1 2 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.747 -0.353 17849 1219 1 2 . 1 1 94 94 LYS H H 94 7.873 7.873 8.515 -0.642 17849 1220 1 2 . 1 1 95 95 ASN N N 95 112.796 112.796 116.733 -3.937 17849 1221 1 2 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.756 0.041 17849 1222 1 2 . 1 1 95 95 ASN C C 95 176.619 176.619 175.891 0.728 17849 1223 1 2 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.656 -0.746 17849 1224 1 2 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.666 -0.390 17849 1225 1 2 . 1 1 95 95 ASN H H 95 8.272 8.272 7.781 0.491 17849 1226 1 2 . 1 1 96 96 GLY N N 96 109.132 109.132 108.235 0.897 17849 1227 1 2 . 1 1 96 96 GLY C C 96 174.799 174.799 174.137 0.662 17849 1228 1 2 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.719 0.852 17849 1229 1 2 . 1 1 96 96 GLY H H 96 7.654 7.654 8.071 -0.417 17849 1230 1 2 . 1 1 97 97 ASP N N 97 118.796 118.796 120.549 -1.753 17849 1231 1 2 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.599 -0.069 17849 1232 1 2 . 1 1 97 97 ASP C C 97 177.137 177.137 177.585 -0.448 17849 1233 1 2 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.515 -0.123 17849 1234 1 2 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.673 -1.284 17849 1235 1 2 . 1 1 97 97 ASP H H 97 8.090 8.090 8.399 -0.309 17849 1236 1 2 . 1 1 98 98 GLY N N 98 112.962 112.962 107.016 5.946 17849 1237 1 2 . 1 1 98 98 GLY C C 98 172.142 172.142 173.565 -1.423 17849 1238 1 2 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.526 0.197 17849 1239 1 2 . 1 1 98 98 GLY H H 98 10.329 10.329 8.309 2.020 17849 1240 1 2 . 1 1 99 99 LEU N N 99 119.691 119.691 120.658 -0.967 17849 1241 1 2 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.870 -0.108 17849 1242 1 2 . 1 1 99 99 LEU C C 99 176.162 176.162 174.330 1.832 17849 1243 1 2 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.261 -0.437 17849 1244 1 2 . 1 1 99 99 LEU CB C 99 44.782 44.782 44.706 0.076 17849 1245 1 2 . 1 1 99 99 LEU H H 99 8.000 8.000 7.460 0.540 17849 1246 1 2 . 1 1 100 100 ILE N N 100 127.464 127.464 113.757 13.707 17849 1247 1 2 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.805 -0.131 17849 1248 1 2 . 1 1 100 100 ILE C C 100 175.006 175.006 174.388 0.618 17849 1249 1 2 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.818 0.602 17849 1250 1 2 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.684 -2.873 17849 1251 1 2 . 1 1 100 100 ILE H H 100 9.491 9.491 8.282 1.209 17849 1252 1 2 . 1 1 101 101 SER N N 101 123.104 123.104 118.435 4.669 17849 1253 1 2 . 1 1 101 101 SER HA H 101 4.770 4.770 4.735 0.035 17849 1254 1 2 . 1 1 101 101 SER C C 101 174.847 174.847 175.843 -0.996 17849 1255 1 2 . 1 1 101 101 SER CA C 101 55.854 55.854 57.237 -1.383 17849 1256 1 2 . 1 1 101 101 SER CB C 101 65.994 65.994 66.041 -0.047 17849 1257 1 2 . 1 1 101 101 SER H H 101 9.058 9.058 8.195 0.863 17849 1258 1 2 . 1 1 102 102 ALA N N 102 124.316 124.316 124.444 -0.128 17849 1259 1 2 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.429 -0.813 17849 1260 1 2 . 1 1 102 102 ALA C C 102 179.388 179.388 178.864 0.524 17849 1261 1 2 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.762 -0.038 17849 1262 1 2 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.695 -1.380 17849 1263 1 2 . 1 1 102 102 ALA H H 102 8.587 8.587 9.045 -0.458 17849 1264 1 2 . 1 1 103 103 ALA N N 103 118.346 118.346 120.328 -1.982 17849 1265 1 2 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.863 0.137 17849 1266 1 2 . 1 1 103 103 ALA C C 103 181.188 181.188 179.174 2.014 17849 1267 1 2 . 1 1 103 103 ALA CA C 103 55.058 55.058 55.037 0.021 17849 1268 1 2 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.985 0.404 17849 1269 1 2 . 1 1 103 103 ALA H H 103 8.266 8.266 8.433 -0.167 17849 1270 1 2 . 1 1 104 104 GLU N N 104 120.568 120.568 119.790 0.778 17849 1271 1 2 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.095 -0.039 17849 1272 1 2 . 1 1 104 104 GLU C C 104 178.762 178.762 178.867 -0.105 17849 1273 1 2 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.121 0.847 17849 1274 1 2 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.560 -0.649 17849 1275 1 2 . 1 1 104 104 GLU H H 104 7.928 7.928 8.622 -0.694 17849 1276 1 2 . 1 1 105 105 LEU N N 105 117.903 117.903 120.556 -2.653 17849 1277 1 2 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.432 -0.403 17849 1278 1 2 . 1 1 105 105 LEU C C 105 178.497 178.497 178.358 0.139 17849 1279 1 2 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.920 0.532 17849 1280 1 2 . 1 1 105 105 LEU CB C 105 43.192 43.192 41.760 1.433 17849 1281 1 2 . 1 1 105 105 LEU H H 105 7.926 7.926 8.247 -0.321 17849 1282 1 2 . 1 1 106 106 LYS N N 106 115.836 115.836 117.553 -1.717 17849 1283 1 2 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.320 -0.521 17849 1284 1 2 . 1 1 106 106 LYS C C 106 179.102 179.102 179.368 -0.266 17849 1285 1 2 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.996 1.176 17849 1286 1 2 . 1 1 106 106 LYS CB C 106 32.610 32.610 33.037 -0.427 17849 1287 1 2 . 1 1 106 106 LYS H H 106 8.337 8.337 8.196 0.141 17849 1288 1 2 . 1 1 107 107 HIS N N 107 119.620 119.620 119.055 0.565 17849 1289 1 2 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.461 -0.207 17849 1290 1 2 . 1 1 107 107 HIS C C 107 178.167 178.167 177.686 0.481 17849 1291 1 2 . 1 1 107 107 HIS CA C 107 59.928 59.928 57.716 2.212 17849 1292 1 2 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.103 0.481 17849 1293 1 2 . 1 1 107 107 HIS H H 107 8.502 8.502 8.645 -0.143 17849 1294 1 2 . 1 1 108 108 VAL N N 108 118.595 118.595 121.084 -2.489 17849 1295 1 2 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.739 -0.083 17849 1296 1 2 . 1 1 108 108 VAL C C 108 178.608 178.608 177.555 1.053 17849 1297 1 2 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.656 0.700 17849 1298 1 2 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.526 0.789 17849 1299 1 2 . 1 1 108 108 VAL H H 108 8.348 8.348 7.854 0.494 17849 1300 1 2 . 1 1 109 109 LEU N N 109 116.755 116.755 118.235 -1.480 17849 1301 1 2 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.067 0.077 17849 1302 1 2 . 1 1 109 109 LEU C C 109 179.267 179.267 178.682 0.585 17849 1303 1 2 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.685 -0.232 17849 1304 1 2 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.565 0.538 17849 1305 1 2 . 1 1 109 109 LEU H H 109 8.251 8.251 7.572 0.679 17849 1306 1 2 . 1 1 110 110 THR N N 110 111.046 111.046 114.222 -3.176 17849 1307 1 2 . 1 1 110 110 THR HA H 110 4.256 4.256 4.178 0.078 17849 1308 1 2 . 1 1 110 110 THR C C 110 175.897 175.897 175.234 0.663 17849 1309 1 2 . 1 1 110 110 THR CA C 110 64.465 64.465 64.640 -0.175 17849 1310 1 2 . 1 1 110 110 THR CB C 110 69.431 69.431 68.326 1.105 17849 1311 1 2 . 1 1 110 110 THR H H 110 8.085 8.085 7.961 0.124 17849 1312 1 2 . 1 1 111 111 SER N N 111 117.074 117.074 116.659 0.415 17849 1313 1 2 . 1 1 111 111 SER HA H 111 4.406 4.406 4.301 0.105 17849 1314 1 2 . 1 1 111 111 SER C C 111 175.051 175.051 174.853 0.198 17849 1315 1 2 . 1 1 111 111 SER CA C 111 59.968 59.968 59.621 0.347 17849 1316 1 2 . 1 1 111 111 SER CB C 111 63.391 63.391 63.390 0.001 17849 1317 1 2 . 1 1 111 111 SER H H 111 7.681 7.681 7.380 0.301 17849 1318 1 2 . 1 1 112 112 ILE N N 112 119.783 119.783 121.961 -2.178 17849 1319 1 2 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.678 0.413 17849 1320 1 2 . 1 1 112 112 ILE C C 112 177.040 177.040 175.934 1.106 17849 1321 1 2 . 1 1 112 112 ILE CA C 112 62.524 62.524 63.551 -1.027 17849 1322 1 2 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.264 0.080 17849 1323 1 2 . 1 1 112 112 ILE H H 112 7.444 7.444 7.195 0.249 17849 1324 1 2 . 1 1 113 113 GLY N N 113 110.432 110.432 110.420 0.012 17849 1325 1 2 . 1 1 113 113 GLY C C 113 174.442 174.442 172.925 1.517 17849 1326 1 2 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.877 0.766 17849 1327 1 2 . 1 1 113 113 GLY H H 113 8.148 8.148 8.181 -0.033 17849 1328 1 2 . 1 1 114 114 GLU N N 114 120.374 120.374 119.041 1.333 17849 1329 1 2 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.443 -0.177 17849 1330 1 2 . 1 1 114 114 GLU C C 114 176.556 176.556 176.341 0.215 17849 1331 1 2 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.442 0.331 17849 1332 1 2 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.771 -0.481 17849 1333 1 2 . 1 1 114 114 GLU H H 114 8.092 8.092 8.277 -0.185 17849 1334 1 2 . 1 1 115 115 LYS N N 115 121.383 121.383 122.510 -1.127 17849 1335 1 2 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.205 0.130 17849 1336 1 2 . 1 1 115 115 LYS C C 115 176.654 176.654 174.993 1.661 17849 1337 1 2 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.952 -0.653 17849 1338 1 2 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.009 0.830 17849 1339 1 2 . 1 1 115 115 LYS H H 115 8.221 8.221 8.156 0.065 17849 1340 1 2 . 1 1 116 116 LEU N N 116 123.146 123.146 121.428 1.718 17849 1341 1 2 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.833 -0.412 17849 1342 1 2 . 1 1 116 116 LEU C C 116 177.677 177.677 174.943 2.734 17849 1343 1 2 . 1 1 116 116 LEU CA C 116 55.320 55.320 55.156 0.164 17849 1344 1 2 . 1 1 116 116 LEU CB C 116 42.309 42.309 42.798 -0.489 17849 1345 1 2 . 1 1 116 116 LEU H H 116 8.265 8.265 8.205 0.060 17849 1346 1 2 . 1 1 117 117 THR N N 117 113.859 113.859 114.370 -0.511 17849 1347 1 2 . 1 1 117 117 THR HA H 117 4.337 4.337 4.492 -0.155 17849 1348 1 2 . 1 1 117 117 THR C C 117 174.535 174.535 174.651 -0.116 17849 1349 1 2 . 1 1 117 117 THR CA C 117 61.824 61.824 61.406 0.418 17849 1350 1 2 . 1 1 117 117 THR CB C 117 70.096 70.096 70.586 -0.490 17849 1351 1 2 . 1 1 117 117 THR H H 117 8.182 8.182 8.023 0.159 17849 1352 1 2 . 1 1 118 118 ASP N N 118 122.049 122.049 119.893 2.156 17849 1353 1 2 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.507 0.026 17849 1354 1 2 . 1 1 118 118 ASP C C 118 176.728 176.728 176.953 -0.225 17849 1355 1 2 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.571 -0.353 17849 1356 1 2 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.377 0.475 17849 1357 1 2 . 1 1 118 118 ASP H H 118 8.367 8.367 8.477 -0.110 17849 1358 1 2 . 1 1 119 119 ALA N N 119 123.432 123.432 119.178 4.254 17849 1359 1 2 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.478 -0.259 17849 1360 1 2 . 1 1 119 119 ALA C C 119 178.486 178.486 177.993 0.493 17849 1361 1 2 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.321 1.112 17849 1362 1 2 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.337 0.738 17849 1363 1 2 . 1 1 119 119 ALA H H 119 8.206 8.206 7.751 0.455 17849 1364 1 2 . 1 1 120 120 GLU N N 120 118.592 118.592 119.341 -0.749 17849 1365 1 2 . 1 1 120 120 GLU HA H 120 4.182 4.182 3.999 0.183 17849 1366 1 2 . 1 1 120 120 GLU C C 120 177.133 177.133 177.491 -0.358 17849 1367 1 2 . 1 1 120 120 GLU CA C 120 57.105 57.105 59.013 -1.908 17849 1368 1 2 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.481 0.571 17849 1369 1 2 . 1 1 120 120 GLU H H 120 8.187 8.187 7.644 0.543 17849 1370 1 2 . 1 1 121 121 LEU N N 121 121.427 121.427 112.761 8.666 17849 1371 1 2 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.554 -0.350 17849 1372 1 2 . 1 1 121 121 LEU C C 121 177.710 177.710 177.451 0.259 17849 1373 1 2 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.179 0.573 17849 1374 1 2 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.354 -1.096 17849 1375 1 2 . 1 1 121 121 LEU H H 121 8.020 8.020 7.562 0.458 17849 1376 1 2 . 1 1 122 122 GLU N N 122 119.850 119.850 120.295 -0.445 17849 1377 1 2 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.995 0.132 17849 1378 1 2 . 1 1 122 122 GLU C C 122 176.518 176.518 177.194 -0.676 17849 1379 1 2 . 1 1 122 122 GLU CA C 122 57.014 57.014 56.737 0.277 17849 1380 1 2 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.623 1.433 17849 1381 1 2 . 1 1 122 122 GLU H H 122 8.118 8.118 8.391 -0.273 17849 1382 1 2 . 1 1 123 123 HIS N N 123 118.817 118.817 120.615 -1.798 17849 1383 1 2 . 1 1 123 123 HIS CA C 123 56.259 56.259 56.681 -0.423 17849 1384 1 2 . 1 1 123 123 HIS H H 123 8.106 8.106 7.851 0.255 17849 1385 1 3 . 1 1 2 2 SER HA H 2 4.507 4.507 4.404 0.103 17849 1386 1 3 . 1 1 2 2 SER CA C 2 58.342 58.342 58.626 -0.284 17849 1387 1 3 . 1 1 2 2 SER CB C 2 63.883 63.883 63.431 0.452 17849 1388 1 3 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.681 0.083 17849 1389 1 3 . 1 1 3 3 ASN C C 3 174.784 174.784 175.347 -0.563 17849 1390 1 3 . 1 1 3 3 ASN CA C 3 53.125 53.125 53.438 -0.313 17849 1391 1 3 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.425 -0.532 17849 1392 1 3 . 1 1 4 4 LEU N N 4 121.466 121.466 121.798 -0.332 17849 1393 1 3 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.649 0.051 17849 1394 1 3 . 1 1 4 4 LEU C C 4 177.665 177.665 176.619 1.046 17849 1395 1 3 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.017 -0.504 17849 1396 1 3 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.854 0.785 17849 1397 1 3 . 1 1 4 4 LEU H H 4 8.097 8.097 8.604 -0.507 17849 1398 1 3 . 1 1 5 5 THR N N 5 112.990 112.990 114.032 -1.042 17849 1399 1 3 . 1 1 5 5 THR HA H 5 4.481 4.481 4.671 -0.190 17849 1400 1 3 . 1 1 5 5 THR C C 5 175.474 175.474 175.114 0.360 17849 1401 1 3 . 1 1 5 5 THR CA C 5 60.528 60.528 59.574 0.954 17849 1402 1 3 . 1 1 5 5 THR CB C 5 71.244 71.244 71.636 -0.392 17849 1403 1 3 . 1 1 5 5 THR H H 5 8.778 8.778 7.785 0.993 17849 1404 1 3 . 1 1 6 6 GLU N N 6 120.343 120.343 120.595 -0.252 17849 1405 1 3 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.895 0.107 17849 1406 1 3 . 1 1 6 6 GLU C C 6 179.568 179.568 178.460 1.108 17849 1407 1 3 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.952 0.224 17849 1408 1 3 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.230 -0.005 17849 1409 1 3 . 1 1 6 6 GLU H H 6 9.078 9.078 8.957 0.121 17849 1410 1 3 . 1 1 7 7 GLU N N 7 119.544 119.544 119.735 -0.191 17849 1411 1 3 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.963 0.148 17849 1412 1 3 . 1 1 7 7 GLU C C 7 179.170 179.170 178.930 0.240 17849 1413 1 3 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.959 1.077 17849 1414 1 3 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.248 -0.131 17849 1415 1 3 . 1 1 7 7 GLU H H 7 8.820 8.820 7.636 1.185 17849 1416 1 3 . 1 1 8 8 GLN N N 8 119.824 119.824 118.234 1.590 17849 1417 1 3 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.581 0.583 17849 1418 1 3 . 1 1 8 8 GLN C C 8 179.652 179.652 178.053 1.599 17849 1419 1 3 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.601 0.151 17849 1420 1 3 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.498 1.241 17849 1421 1 3 . 1 1 8 8 GLN H H 8 7.812 7.812 7.372 0.440 17849 1422 1 3 . 1 1 9 9 ILE N N 9 120.978 120.978 119.421 1.557 17849 1423 1 3 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.894 -0.042 17849 1424 1 3 . 1 1 9 9 ILE C C 9 177.899 177.899 177.881 0.018 17849 1425 1 3 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.388 1.188 17849 1426 1 3 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.776 0.213 17849 1427 1 3 . 1 1 9 9 ILE H H 9 8.634 8.634 8.175 0.459 17849 1428 1 3 . 1 1 10 10 ALA N N 10 121.528 121.528 120.211 1.317 17849 1429 1 3 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.153 -0.047 17849 1430 1 3 . 1 1 10 10 ALA C C 10 180.886 180.886 178.473 2.413 17849 1431 1 3 . 1 1 10 10 ALA CA C 10 55.418 55.418 54.753 0.665 17849 1432 1 3 . 1 1 10 10 ALA CB C 10 17.775 17.775 18.056 -0.281 17849 1433 1 3 . 1 1 10 10 ALA H H 10 8.142 8.142 7.685 0.457 17849 1434 1 3 . 1 1 11 11 GLU N N 11 118.807 118.807 117.691 1.116 17849 1435 1 3 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.226 -0.012 17849 1436 1 3 . 1 1 11 11 GLU C C 11 180.292 180.292 178.683 1.609 17849 1437 1 3 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.299 1.065 17849 1438 1 3 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.875 -0.087 17849 1439 1 3 . 1 1 11 11 GLU H H 11 7.810 7.810 7.235 0.575 17849 1440 1 3 . 1 1 12 12 PHE N N 12 118.671 118.671 119.284 -0.613 17849 1441 1 3 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.402 0.245 17849 1442 1 3 . 1 1 12 12 PHE C C 12 179.032 179.032 177.984 1.048 17849 1443 1 3 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.030 4.130 17849 1444 1 3 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.439 1.576 17849 1445 1 3 . 1 1 12 12 PHE H H 12 8.432 8.432 8.385 0.047 17849 1446 1 3 . 1 1 13 13 LYS N N 13 123.536 123.536 119.079 4.457 17849 1447 1 3 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.302 -0.462 17849 1448 1 3 . 1 1 13 13 LYS C C 13 179.114 179.114 177.931 1.183 17849 1449 1 3 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.394 0.694 17849 1450 1 3 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.234 -0.582 17849 1451 1 3 . 1 1 13 13 LYS H H 13 8.981 8.981 8.029 0.952 17849 1452 1 3 . 1 1 14 14 GLU N N 14 119.691 119.691 118.032 1.659 17849 1453 1 3 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.409 -0.312 17849 1454 1 3 . 1 1 14 14 GLU C C 14 179.285 179.285 178.177 1.108 17849 1455 1 3 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.138 1.107 17849 1456 1 3 . 1 1 14 14 GLU CB C 14 29.641 29.641 30.252 -0.611 17849 1457 1 3 . 1 1 14 14 GLU H H 14 7.737 7.737 7.715 0.022 17849 1458 1 3 . 1 1 15 15 ALA N N 15 120.127 120.127 123.259 -3.132 17849 1459 1 3 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.184 -0.017 17849 1460 1 3 . 1 1 15 15 ALA C C 15 178.607 178.607 179.787 -1.180 17849 1461 1 3 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.195 -0.136 17849 1462 1 3 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.527 0.604 17849 1463 1 3 . 1 1 15 15 ALA H H 15 7.747 7.747 7.959 -0.212 17849 1464 1 3 . 1 1 16 16 PHE N N 16 119.058 119.058 117.641 1.417 17849 1465 1 3 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.697 -0.390 17849 1466 1 3 . 1 1 16 16 PHE C C 16 177.236 177.236 176.592 0.644 17849 1467 1 3 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.391 1.314 17849 1468 1 3 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.790 0.962 17849 1469 1 3 . 1 1 16 16 PHE H H 16 8.908 8.908 8.588 0.320 17849 1470 1 3 . 1 1 17 17 ALA N N 17 119.352 119.352 122.308 -2.956 17849 1471 1 3 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.314 -0.191 17849 1472 1 3 . 1 1 17 17 ALA C C 17 178.680 178.680 178.390 0.290 17849 1473 1 3 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.185 0.354 17849 1474 1 3 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.599 -0.384 17849 1475 1 3 . 1 1 17 17 ALA H H 17 7.877 7.877 8.100 -0.223 17849 1476 1 3 . 1 1 18 18 LEU N N 18 115.281 115.281 118.579 -3.298 17849 1477 1 3 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.123 -0.068 17849 1478 1 3 . 1 1 18 18 LEU C C 18 178.393 178.393 178.438 -0.045 17849 1479 1 3 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.496 -0.854 17849 1480 1 3 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.822 -0.078 17849 1481 1 3 . 1 1 18 18 LEU H H 18 7.369 7.369 7.986 -0.617 17849 1482 1 3 . 1 1 19 19 PHE N N 19 115.719 115.719 115.634 0.085 17849 1483 1 3 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.362 -0.153 17849 1484 1 3 . 1 1 19 19 PHE C C 19 176.704 176.704 176.292 0.412 17849 1485 1 3 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.549 -0.316 17849 1486 1 3 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.650 2.020 17849 1487 1 3 . 1 1 19 19 PHE H H 19 7.468 7.468 7.540 -0.072 17849 1488 1 3 . 1 1 20 20 ASP N N 20 117.209 117.209 118.880 -1.671 17849 1489 1 3 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.472 -0.011 17849 1490 1 3 . 1 1 20 20 ASP C C 20 176.557 176.557 176.196 0.361 17849 1491 1 3 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.481 -3.236 17849 1492 1 3 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.555 -2.408 17849 1493 1 3 . 1 1 20 20 ASP H H 20 7.488 7.488 8.063 -0.575 17849 1494 1 3 . 1 1 21 21 LYS N N 21 124.086 124.086 126.775 -2.689 17849 1495 1 3 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.249 -0.251 17849 1496 1 3 . 1 1 21 21 LYS C C 21 177.844 177.844 177.981 -0.137 17849 1497 1 3 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.829 0.479 17849 1498 1 3 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.983 -0.531 17849 1499 1 3 . 1 1 21 21 LYS H H 21 7.376 7.376 8.263 -0.887 17849 1500 1 3 . 1 1 22 22 ASP N N 22 114.097 114.097 115.717 -1.620 17849 1501 1 3 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.539 0.065 17849 1502 1 3 . 1 1 22 22 ASP C C 22 176.349 176.349 176.373 -0.024 17849 1503 1 3 . 1 1 22 22 ASP CA C 22 52.703 52.703 54.222 -1.519 17849 1504 1 3 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.589 -1.234 17849 1505 1 3 . 1 1 22 22 ASP H H 22 8.113 8.113 8.026 0.087 17849 1506 1 3 . 1 1 23 23 ASN N N 23 115.562 115.562 116.395 -0.833 17849 1507 1 3 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.533 -0.138 17849 1508 1 3 . 1 1 23 23 ASN C C 23 174.864 174.864 174.728 0.136 17849 1509 1 3 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.212 0.188 17849 1510 1 3 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.809 1.115 17849 1511 1 3 . 1 1 23 23 ASN H H 23 8.048 8.048 8.638 -0.590 17849 1512 1 3 . 1 1 24 24 ASN N N 24 117.615 117.615 117.057 0.558 17849 1513 1 3 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.715 0.120 17849 1514 1 3 . 1 1 24 24 ASN C C 24 177.445 177.445 176.359 1.086 17849 1515 1 3 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.294 -0.879 17849 1516 1 3 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.199 -0.718 17849 1517 1 3 . 1 1 24 24 ASN H H 24 8.517 8.517 9.223 -0.706 17849 1518 1 3 . 1 1 25 25 GLY N N 25 114.308 114.308 108.184 6.124 17849 1519 1 3 . 1 1 25 25 GLY C C 25 173.105 173.105 173.725 -0.620 17849 1520 1 3 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.971 0.508 17849 1521 1 3 . 1 1 25 25 GLY H H 25 10.729 10.729 9.208 1.521 17849 1522 1 3 . 1 1 26 26 SER N N 26 113.267 113.267 116.820 -3.553 17849 1523 1 3 . 1 1 26 26 SER HA H 26 5.330 5.330 5.962 -0.632 17849 1524 1 3 . 1 1 26 26 SER C C 26 172.610 172.610 173.569 -0.959 17849 1525 1 3 . 1 1 26 26 SER CA C 26 57.375 57.375 56.825 0.550 17849 1526 1 3 . 1 1 26 26 SER CB C 26 66.504 66.504 66.800 -0.296 17849 1527 1 3 . 1 1 26 26 SER H H 26 7.773 7.773 8.192 -0.419 17849 1528 1 3 . 1 1 27 27 ILE N N 27 127.124 127.124 119.921 7.203 17849 1529 1 3 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.428 0.460 17849 1530 1 3 . 1 1 27 27 ILE C C 27 175.876 175.876 174.857 1.019 17849 1531 1 3 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.231 -0.195 17849 1532 1 3 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.141 -2.245 17849 1533 1 3 . 1 1 27 27 ILE H H 27 9.848 9.848 7.929 1.919 17849 1534 1 3 . 1 1 28 28 SER N N 28 124.825 124.825 118.774 6.051 17849 1535 1 3 . 1 1 28 28 SER HA H 28 4.771 4.771 4.822 -0.051 17849 1536 1 3 . 1 1 28 28 SER C C 28 175.395 175.395 175.764 -0.369 17849 1537 1 3 . 1 1 28 28 SER CA C 28 56.680 56.680 55.112 1.568 17849 1538 1 3 . 1 1 28 28 SER CB C 28 66.154 66.154 65.457 0.697 17849 1539 1 3 . 1 1 28 28 SER H H 28 9.347 9.347 8.235 1.112 17849 1540 1 3 . 1 1 29 29 SER N N 29 116.882 116.882 121.657 -4.775 17849 1541 1 3 . 1 1 29 29 SER HA H 29 4.144 4.144 4.106 0.038 17849 1542 1 3 . 1 1 29 29 SER C C 29 176.516 176.516 176.533 -0.017 17849 1543 1 3 . 1 1 29 29 SER CA C 29 62.634 62.634 60.959 1.675 17849 1544 1 3 . 1 1 29 29 SER CB C 29 62.227 62.227 63.028 -0.801 17849 1545 1 3 . 1 1 29 29 SER H H 29 9.604 9.604 8.805 0.799 17849 1546 1 3 . 1 1 30 30 SER N N 30 116.141 116.141 117.549 -1.408 17849 1547 1 3 . 1 1 30 30 SER HA H 30 4.327 4.327 4.230 0.097 17849 1548 1 3 . 1 1 30 30 SER C C 30 177.965 177.965 176.447 1.518 17849 1549 1 3 . 1 1 30 30 SER CA C 30 61.341 61.341 62.130 -0.789 17849 1550 1 3 . 1 1 30 30 SER CB C 30 62.429 62.429 63.079 -0.650 17849 1551 1 3 . 1 1 30 30 SER H H 30 8.184 8.184 8.314 -0.130 17849 1552 1 3 . 1 1 31 31 GLU N N 31 124.933 124.933 121.436 3.497 17849 1553 1 3 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.120 -0.029 17849 1554 1 3 . 1 1 31 31 GLU C C 31 179.355 179.355 178.427 0.928 17849 1555 1 3 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.932 0.510 17849 1556 1 3 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.186 0.149 17849 1557 1 3 . 1 1 31 31 GLU H H 31 7.973 7.973 8.668 -0.695 17849 1558 1 3 . 1 1 32 32 LEU N N 32 120.778 120.778 119.522 1.256 17849 1559 1 3 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.323 -0.156 17849 1560 1 3 . 1 1 32 32 LEU C C 32 178.364 178.364 178.104 0.260 17849 1561 1 3 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.136 1.211 17849 1562 1 3 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.426 -0.315 17849 1563 1 3 . 1 1 32 32 LEU H H 32 8.616 8.616 8.283 0.333 17849 1564 1 3 . 1 1 33 33 ALA N N 33 120.423 120.423 121.606 -1.183 17849 1565 1 3 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.958 -0.082 17849 1566 1 3 . 1 1 33 33 ALA C C 33 179.394 179.394 179.421 -0.027 17849 1567 1 3 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.339 0.449 17849 1568 1 3 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.163 0.355 17849 1569 1 3 . 1 1 33 33 ALA H H 33 8.688 8.688 8.472 0.216 17849 1570 1 3 . 1 1 34 34 THR N N 34 114.299 114.299 113.882 0.417 17849 1571 1 3 . 1 1 34 34 THR HA H 34 3.902 3.902 3.993 -0.091 17849 1572 1 3 . 1 1 34 34 THR C C 34 177.161 177.161 176.096 1.065 17849 1573 1 3 . 1 1 34 34 THR CA C 34 67.173 67.173 66.996 0.177 17849 1574 1 3 . 1 1 34 34 THR CB C 34 68.712 68.712 68.754 -0.042 17849 1575 1 3 . 1 1 34 34 THR H H 34 8.219 8.219 8.311 -0.092 17849 1576 1 3 . 1 1 35 35 VAL N N 35 122.638 122.638 120.101 2.537 17849 1577 1 3 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.629 -0.045 17849 1578 1 3 . 1 1 35 35 VAL C C 35 178.403 178.403 177.126 1.277 17849 1579 1 3 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.816 1.068 17849 1580 1 3 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.756 -0.395 17849 1581 1 3 . 1 1 35 35 VAL H H 35 7.791 7.791 7.674 0.117 17849 1582 1 3 . 1 1 36 36 MET N N 36 117.307 117.307 119.124 -1.817 17849 1583 1 3 . 1 1 36 36 MET HA H 36 3.906 3.906 4.027 -0.121 17849 1584 1 3 . 1 1 36 36 MET C C 36 178.456 178.456 178.234 0.222 17849 1585 1 3 . 1 1 36 36 MET CA C 36 59.787 59.787 58.537 1.250 17849 1586 1 3 . 1 1 36 36 MET CB C 36 32.548 32.548 31.917 0.631 17849 1587 1 3 . 1 1 36 36 MET H H 36 8.308 8.308 7.545 0.763 17849 1588 1 3 . 1 1 37 37 ARG N N 37 118.384 118.384 117.165 1.219 17849 1589 1 3 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.265 0.492 17849 1590 1 3 . 1 1 37 37 ARG C C 37 181.371 181.371 178.829 2.542 17849 1591 1 3 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.691 0.196 17849 1592 1 3 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.249 0.849 17849 1593 1 3 . 1 1 37 37 ARG H H 37 8.634 8.634 8.354 0.280 17849 1594 1 3 . 1 1 38 38 SER N N 38 118.916 118.916 114.909 4.007 17849 1595 1 3 . 1 1 38 38 SER HA H 38 4.339 4.339 4.229 0.110 17849 1596 1 3 . 1 1 38 38 SER C C 38 174.705 174.705 176.477 -1.772 17849 1597 1 3 . 1 1 38 38 SER CA C 38 61.793 61.793 60.659 1.134 17849 1598 1 3 . 1 1 38 38 SER CB C 38 62.713 62.713 63.013 -0.300 17849 1599 1 3 . 1 1 38 38 SER H H 38 8.226 8.226 7.653 0.573 17849 1600 1 3 . 1 1 39 39 LEU N N 39 119.948 119.948 120.014 -0.066 17849 1601 1 3 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.953 0.343 17849 1602 1 3 . 1 1 39 39 LEU C C 39 176.723 176.723 178.317 -1.594 17849 1603 1 3 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.319 -2.759 17849 1604 1 3 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.305 -0.316 17849 1605 1 3 . 1 1 39 39 LEU H H 39 7.331 7.331 7.256 0.075 17849 1606 1 3 . 1 1 40 40 GLY N N 40 105.997 105.997 103.190 2.807 17849 1607 1 3 . 1 1 40 40 GLY C C 40 174.405 174.405 173.725 0.680 17849 1608 1 3 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.991 0.197 17849 1609 1 3 . 1 1 40 40 GLY H H 40 7.889 7.889 7.852 0.037 17849 1610 1 3 . 1 1 41 41 LEU N N 41 120.071 120.071 120.013 0.058 17849 1611 1 3 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.918 -0.432 17849 1612 1 3 . 1 1 41 41 LEU C C 41 175.829 175.829 175.356 0.473 17849 1613 1 3 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.797 0.390 17849 1614 1 3 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.404 -0.831 17849 1615 1 3 . 1 1 41 41 LEU H H 41 7.592 7.592 7.747 -0.155 17849 1616 1 3 . 1 1 42 42 SER N N 42 112.869 112.869 116.343 -3.474 17849 1617 1 3 . 1 1 42 42 SER HA H 42 4.797 4.797 4.805 -0.008 17849 1618 1 3 . 1 1 42 42 SER CA C 42 54.960 54.960 55.621 -0.661 17849 1619 1 3 . 1 1 42 42 SER CB C 42 63.177 63.177 63.873 -0.696 17849 1620 1 3 . 1 1 42 42 SER H H 42 8.761 8.761 8.377 0.384 17849 1621 1 3 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.547 0.161 17849 1622 1 3 . 1 1 43 43 PRO C C 43 177.533 177.533 175.983 1.550 17849 1623 1 3 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.310 -0.135 17849 1624 1 3 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.362 -0.488 17849 1625 1 3 . 1 1 44 44 SER N N 44 119.089 119.089 118.368 0.721 17849 1626 1 3 . 1 1 44 44 SER HA H 44 4.574 4.574 4.643 -0.069 17849 1627 1 3 . 1 1 44 44 SER C C 44 174.803 174.803 175.833 -1.030 17849 1628 1 3 . 1 1 44 44 SER CA C 44 56.786 56.786 57.482 -0.696 17849 1629 1 3 . 1 1 44 44 SER CB C 44 65.387 65.387 64.805 0.582 17849 1630 1 3 . 1 1 44 44 SER H H 44 9.014 9.014 8.316 0.698 17849 1631 1 3 . 1 1 45 45 GLU N N 45 121.343 121.343 125.907 -4.564 17849 1632 1 3 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.931 0.013 17849 1633 1 3 . 1 1 45 45 GLU C C 45 178.978 178.978 177.833 1.145 17849 1634 1 3 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.453 0.653 17849 1635 1 3 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.218 0.085 17849 1636 1 3 . 1 1 45 45 GLU H H 45 8.925 8.925 9.167 -0.242 17849 1637 1 3 . 1 1 46 46 ALA N N 46 120.822 120.822 122.406 -1.584 17849 1638 1 3 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.200 -0.054 17849 1639 1 3 . 1 1 46 46 ALA C C 46 179.782 179.782 179.769 0.013 17849 1640 1 3 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.777 0.309 17849 1641 1 3 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.003 0.253 17849 1642 1 3 . 1 1 46 46 ALA H H 46 8.339 8.339 8.281 0.058 17849 1643 1 3 . 1 1 47 47 GLU N N 47 118.432 118.432 118.951 -0.519 17849 1644 1 3 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.072 0.002 17849 1645 1 3 . 1 1 47 47 GLU C C 47 180.222 180.222 178.956 1.266 17849 1646 1 3 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.352 -0.143 17849 1647 1 3 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.324 0.561 17849 1648 1 3 . 1 1 47 47 GLU H H 47 7.759 7.759 7.656 0.103 17849 1649 1 3 . 1 1 48 48 VAL N N 48 120.023 120.023 119.641 0.382 17849 1650 1 3 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.758 -0.260 17849 1651 1 3 . 1 1 48 48 VAL C C 48 177.380 177.380 178.026 -0.646 17849 1652 1 3 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.510 1.748 17849 1653 1 3 . 1 1 48 48 VAL CB C 48 31.361 31.361 30.760 0.601 17849 1654 1 3 . 1 1 48 48 VAL H H 48 8.174 8.174 8.691 -0.517 17849 1655 1 3 . 1 1 49 49 ASN N N 49 118.475 118.475 118.729 -0.254 17849 1656 1 3 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.516 -0.111 17849 1657 1 3 . 1 1 49 49 ASN C C 49 177.352 177.352 177.695 -0.343 17849 1658 1 3 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.402 0.308 17849 1659 1 3 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.898 0.372 17849 1660 1 3 . 1 1 49 49 ASN H H 49 8.208 8.208 8.182 0.026 17849 1661 1 3 . 1 1 50 50 ASP N N 50 120.147 120.147 120.862 -0.715 17849 1662 1 3 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.492 -0.010 17849 1663 1 3 . 1 1 50 50 ASP C C 50 178.973 178.973 178.431 0.542 17849 1664 1 3 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.900 0.540 17849 1665 1 3 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.873 -0.693 17849 1666 1 3 . 1 1 50 50 ASP H H 50 8.400 8.400 7.660 0.740 17849 1667 1 3 . 1 1 51 51 LEU N N 51 121.706 121.706 120.371 1.335 17849 1668 1 3 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.067 0.041 17849 1669 1 3 . 1 1 51 51 LEU C C 51 178.796 178.796 179.253 -0.457 17849 1670 1 3 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.520 0.612 17849 1671 1 3 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.995 -0.105 17849 1672 1 3 . 1 1 51 51 LEU H H 51 7.830 7.830 8.107 -0.277 17849 1673 1 3 . 1 1 52 52 MET N N 52 117.267 117.267 116.182 1.085 17849 1674 1 3 . 1 1 52 52 MET HA H 52 4.145 4.145 4.123 0.022 17849 1675 1 3 . 1 1 52 52 MET C C 52 178.260 178.260 178.634 -0.374 17849 1676 1 3 . 1 1 52 52 MET CA C 52 57.418 57.418 56.355 1.062 17849 1677 1 3 . 1 1 52 52 MET CB C 52 30.089 30.089 30.769 -0.680 17849 1678 1 3 . 1 1 52 52 MET H H 52 8.601 8.601 8.790 -0.189 17849 1679 1 3 . 1 1 53 53 ASN N N 53 115.368 115.368 118.369 -3.001 17849 1680 1 3 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.487 0.086 17849 1681 1 3 . 1 1 53 53 ASN C C 53 176.890 176.890 176.899 -0.009 17849 1682 1 3 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.001 -0.669 17849 1683 1 3 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.460 -0.306 17849 1684 1 3 . 1 1 53 53 ASN H H 53 8.239 8.239 8.011 0.228 17849 1685 1 3 . 1 1 54 54 GLU N N 54 117.437 117.437 118.468 -1.031 17849 1686 1 3 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.109 0.141 17849 1687 1 3 . 1 1 54 54 GLU C C 54 177.019 177.019 177.744 -0.725 17849 1688 1 3 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.490 -0.804 17849 1689 1 3 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.891 0.202 17849 1690 1 3 . 1 1 54 54 GLU H H 54 7.625 7.625 7.550 0.075 17849 1691 1 3 . 1 1 55 55 ILE N N 55 117.098 117.098 116.202 0.896 17849 1692 1 3 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.728 0.173 17849 1693 1 3 . 1 1 55 55 ILE C C 55 176.027 176.027 176.444 -0.417 17849 1694 1 3 . 1 1 55 55 ILE CA C 55 62.637 62.637 64.268 -1.631 17849 1695 1 3 . 1 1 55 55 ILE CB C 55 40.036 40.036 37.956 2.080 17849 1696 1 3 . 1 1 55 55 ILE H H 55 7.496 7.496 7.849 -0.353 17849 1697 1 3 . 1 1 56 56 ASP N N 56 118.367 118.367 119.913 -1.546 17849 1698 1 3 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.758 -0.341 17849 1699 1 3 . 1 1 56 56 ASP C C 56 175.761 175.761 176.022 -0.261 17849 1700 1 3 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.654 -0.247 17849 1701 1 3 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.554 -0.321 17849 1702 1 3 . 1 1 56 56 ASP H H 56 8.329 8.329 7.798 0.531 17849 1703 1 3 . 1 1 57 57 VAL N N 57 126.262 126.262 122.668 3.594 17849 1704 1 3 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.996 0.010 17849 1705 1 3 . 1 1 57 57 VAL C C 57 177.253 177.253 176.316 0.937 17849 1706 1 3 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.312 -0.087 17849 1707 1 3 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.616 0.570 17849 1708 1 3 . 1 1 57 57 VAL H H 57 8.116 8.116 8.532 -0.416 17849 1709 1 3 . 1 1 58 58 ASP N N 58 116.896 116.896 118.519 -1.623 17849 1710 1 3 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.638 -0.066 17849 1711 1 3 . 1 1 58 58 ASP C C 58 177.670 177.670 176.753 0.917 17849 1712 1 3 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.730 0.075 17849 1713 1 3 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.463 -1.470 17849 1714 1 3 . 1 1 58 58 ASP H H 58 8.356 8.356 8.166 0.190 17849 1715 1 3 . 1 1 59 59 GLY N N 59 107.989 107.989 108.929 -0.940 17849 1716 1 3 . 1 1 59 59 GLY C C 59 174.661 174.661 174.968 -0.307 17849 1717 1 3 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.440 1.639 17849 1718 1 3 . 1 1 59 59 GLY H H 59 7.622 7.622 8.186 -0.564 17849 1719 1 3 . 1 1 60 60 ASN N N 60 118.703 118.703 118.455 0.248 17849 1720 1 3 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.647 -0.105 17849 1721 1 3 . 1 1 60 60 ASN C C 60 175.787 175.787 175.121 0.666 17849 1722 1 3 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.302 -0.019 17849 1723 1 3 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.194 -2.010 17849 1724 1 3 . 1 1 60 60 ASN H H 60 8.096 8.096 8.588 -0.492 17849 1725 1 3 . 1 1 61 61 HIS N N 61 117.475 117.475 117.331 0.144 17849 1726 1 3 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.236 -0.368 17849 1727 1 3 . 1 1 61 61 HIS C C 61 172.407 172.407 172.859 -0.452 17849 1728 1 3 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.293 -0.865 17849 1729 1 3 . 1 1 61 61 HIS CB C 61 26.973 26.973 27.871 -0.898 17849 1730 1 3 . 1 1 61 61 HIS H H 61 9.998 9.998 8.413 1.585 17849 1731 1 3 . 1 1 62 62 GLN N N 62 112.629 112.629 114.977 -2.348 17849 1732 1 3 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.113 -0.304 17849 1733 1 3 . 1 1 62 62 GLN C C 62 174.654 174.654 174.483 0.171 17849 1734 1 3 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.237 -0.429 17849 1735 1 3 . 1 1 62 62 GLN CB C 62 32.125 32.125 33.519 -1.394 17849 1736 1 3 . 1 1 62 62 GLN H H 62 7.541 7.541 8.879 -1.338 17849 1737 1 3 . 1 1 63 63 ILE N N 63 123.800 123.800 123.725 0.075 17849 1738 1 3 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.820 0.226 17849 1739 1 3 . 1 1 63 63 ILE C C 63 176.626 176.626 175.682 0.944 17849 1740 1 3 . 1 1 63 63 ILE CA C 63 59.893 59.893 57.916 1.977 17849 1741 1 3 . 1 1 63 63 ILE CB C 63 39.180 39.180 38.877 0.303 17849 1742 1 3 . 1 1 63 63 ILE H H 63 9.312 9.312 8.290 1.022 17849 1743 1 3 . 1 1 64 64 GLU N N 64 128.941 128.941 126.263 2.678 17849 1744 1 3 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.758 0.218 17849 1745 1 3 . 1 1 64 64 GLU C C 64 178.001 178.001 177.537 0.464 17849 1746 1 3 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.840 2.880 17849 1747 1 3 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.263 -1.035 17849 1748 1 3 . 1 1 64 64 GLU H H 64 8.846 8.846 8.994 -0.148 17849 1749 1 3 . 1 1 65 65 PHE N N 65 124.119 124.119 123.303 0.816 17849 1750 1 3 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.008 -0.482 17849 1751 1 3 . 1 1 65 65 PHE C C 65 176.981 176.981 177.238 -0.257 17849 1752 1 3 . 1 1 65 65 PHE CA C 65 62.264 62.264 62.096 0.168 17849 1753 1 3 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.119 -1.295 17849 1754 1 3 . 1 1 65 65 PHE H H 65 9.488 9.488 9.129 0.359 17849 1755 1 3 . 1 1 66 66 SER N N 66 112.445 112.445 113.629 -1.184 17849 1756 1 3 . 1 1 66 66 SER HA H 66 3.667 3.667 4.323 -0.656 17849 1757 1 3 . 1 1 66 66 SER C C 66 177.385 177.385 176.865 0.520 17849 1758 1 3 . 1 1 66 66 SER CA C 66 61.503 61.503 61.937 -0.434 17849 1759 1 3 . 1 1 66 66 SER CB C 66 61.285 61.285 62.761 -1.476 17849 1760 1 3 . 1 1 66 66 SER H H 66 8.972 8.972 8.584 0.388 17849 1761 1 3 . 1 1 67 67 GLU N N 67 122.775 122.775 122.804 -0.029 17849 1762 1 3 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.026 0.094 17849 1763 1 3 . 1 1 67 67 GLU C C 67 178.567 178.567 178.642 -0.075 17849 1764 1 3 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.193 -1.349 17849 1765 1 3 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.551 -0.302 17849 1766 1 3 . 1 1 67 67 GLU H H 67 6.799 6.799 7.925 -1.126 17849 1767 1 3 . 1 1 68 68 PHE N N 68 123.231 123.231 119.524 3.707 17849 1768 1 3 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.020 -0.189 17849 1769 1 3 . 1 1 68 68 PHE C C 68 175.936 175.936 176.937 -1.001 17849 1770 1 3 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.328 -0.212 17849 1771 1 3 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.156 1.059 17849 1772 1 3 . 1 1 68 68 PHE H H 68 8.176 8.176 8.622 -0.446 17849 1773 1 3 . 1 1 69 69 LEU N N 69 118.554 118.554 116.191 2.363 17849 1774 1 3 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.667 -0.501 17849 1775 1 3 . 1 1 69 69 LEU C C 69 179.074 179.074 178.207 0.867 17849 1776 1 3 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.472 0.660 17849 1777 1 3 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.600 -0.334 17849 1778 1 3 . 1 1 69 69 LEU H H 69 8.626 8.626 7.574 1.052 17849 1779 1 3 . 1 1 70 70 ALA N N 70 120.878 120.878 122.972 -2.094 17849 1780 1 3 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.916 -0.031 17849 1781 1 3 . 1 1 70 70 ALA C C 70 179.914 179.914 179.334 0.580 17849 1782 1 3 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.866 0.104 17849 1783 1 3 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.890 -0.113 17849 1784 1 3 . 1 1 70 70 ALA H H 70 7.322 7.322 7.447 -0.125 17849 1785 1 3 . 1 1 71 71 LEU N N 71 118.871 118.871 115.717 3.154 17849 1786 1 3 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.504 0.424 17849 1787 1 3 . 1 1 71 71 LEU C C 71 178.009 178.009 178.044 -0.035 17849 1788 1 3 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.891 0.853 17849 1789 1 3 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.005 0.407 17849 1790 1 3 . 1 1 71 71 LEU H H 71 7.219 7.219 7.622 -0.403 17849 1791 1 3 . 1 1 72 72 MET N N 72 113.480 113.480 113.872 -0.392 17849 1792 1 3 . 1 1 72 72 MET HA H 72 4.165 4.165 4.283 -0.118 17849 1793 1 3 . 1 1 72 72 MET CA C 72 55.413 55.413 57.789 -2.376 17849 1794 1 3 . 1 1 72 72 MET CB C 72 31.199 31.199 33.531 -2.332 17849 1795 1 3 . 1 1 72 72 MET H H 72 7.486 7.486 7.344 0.142 17849 1796 1 3 . 1 1 73 73 SER HA H 73 4.337 4.337 4.390 -0.053 17849 1797 1 3 . 1 1 73 73 SER C C 73 174.241 174.241 174.841 -0.600 17849 1798 1 3 . 1 1 73 73 SER CA C 73 59.132 59.132 59.304 -0.173 17849 1799 1 3 . 1 1 73 73 SER CB C 73 63.649 63.649 62.629 1.020 17849 1800 1 3 . 1 1 73 73 SER H H 73 7.699 7.699 7.684 0.015 17849 1801 1 3 . 1 1 74 74 ARG N N 74 121.213 121.213 118.255 2.958 17849 1802 1 3 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.379 -0.168 17849 1803 1 3 . 1 1 74 74 ARG C C 74 175.638 175.638 174.913 0.725 17849 1804 1 3 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.048 -0.198 17849 1805 1 3 . 1 1 74 74 ARG CB C 74 30.672 30.672 31.842 -1.170 17849 1806 1 3 . 1 1 74 74 ARG H H 74 7.400 7.400 7.663 -0.263 17849 1807 1 3 . 1 1 75 75 GLN N N 75 118.914 118.914 115.950 2.964 17849 1808 1 3 . 1 1 75 75 GLN CB C 75 29.315 29.315 32.275 -2.960 17849 1809 1 3 . 1 1 75 75 GLN H H 75 8.090 8.090 7.189 0.901 17849 1810 1 3 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.529 -0.142 17849 1811 1 3 . 1 1 77 77 LYS C C 77 176.410 176.410 176.292 0.118 17849 1812 1 3 . 1 1 77 77 LYS CA C 77 56.042 56.042 54.893 1.149 17849 1813 1 3 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.716 0.441 17849 1814 1 3 . 1 1 78 78 SER N N 78 116.257 116.257 117.560 -1.303 17849 1815 1 3 . 1 1 78 78 SER HA H 78 4.422 4.422 4.131 0.291 17849 1816 1 3 . 1 1 78 78 SER C C 78 174.436 174.436 174.142 0.294 17849 1817 1 3 . 1 1 78 78 SER CA C 78 58.366 58.366 59.086 -0.720 17849 1818 1 3 . 1 1 78 78 SER CB C 78 63.855 63.855 62.458 1.397 17849 1819 1 3 . 1 1 78 78 SER H H 78 8.332 8.332 9.058 -0.726 17849 1820 1 3 . 1 1 79 79 ASN N N 79 120.267 120.267 116.076 4.191 17849 1821 1 3 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.390 0.337 17849 1822 1 3 . 1 1 79 79 ASN C C 79 174.966 174.966 174.099 0.867 17849 1823 1 3 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.801 -0.334 17849 1824 1 3 . 1 1 79 79 ASN CB C 79 38.869 38.869 38.336 0.533 17849 1825 1 3 . 1 1 79 79 ASN H H 79 8.548 8.548 8.373 0.175 17849 1826 1 3 . 1 1 80 80 ASP N N 80 119.659 119.659 119.165 0.494 17849 1827 1 3 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.498 0.119 17849 1828 1 3 . 1 1 80 80 ASP C C 80 176.412 176.412 176.582 -0.170 17849 1829 1 3 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.096 -0.386 17849 1830 1 3 . 1 1 80 80 ASP CB C 80 41.223 41.223 41.725 -0.502 17849 1831 1 3 . 1 1 80 80 ASP H H 80 8.325 8.325 8.072 0.253 17849 1832 1 3 . 1 1 81 81 SER N N 81 115.425 115.425 118.480 -3.055 17849 1833 1 3 . 1 1 81 81 SER HA H 81 4.414 4.414 4.329 0.085 17849 1834 1 3 . 1 1 81 81 SER C C 81 174.733 174.733 174.731 0.002 17849 1835 1 3 . 1 1 81 81 SER CA C 81 59.183 59.183 61.100 -1.917 17849 1836 1 3 . 1 1 81 81 SER CB C 81 63.784 63.784 63.645 0.139 17849 1837 1 3 . 1 1 81 81 SER H H 81 8.256 8.256 8.426 -0.170 17849 1838 1 3 . 1 1 82 82 GLU N N 82 121.456 121.456 120.532 0.924 17849 1839 1 3 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.133 0.190 17849 1840 1 3 . 1 1 82 82 GLU C C 82 176.385 176.385 175.491 0.894 17849 1841 1 3 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.162 0.566 17849 1842 1 3 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.258 0.614 17849 1843 1 3 . 1 1 82 82 GLU H H 82 8.375 8.375 7.730 0.645 17849 1844 1 3 . 1 1 83 83 GLN N N 83 120.069 120.069 124.067 -3.998 17849 1845 1 3 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.432 -0.127 17849 1846 1 3 . 1 1 83 83 GLN C C 83 176.054 176.054 176.027 0.027 17849 1847 1 3 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.475 0.672 17849 1848 1 3 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.743 -0.440 17849 1849 1 3 . 1 1 83 83 GLN H H 83 8.233 8.233 8.267 -0.034 17849 1850 1 3 . 1 1 84 84 GLU N N 84 122.390 122.390 121.150 1.240 17849 1851 1 3 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.084 0.207 17849 1852 1 3 . 1 1 84 84 GLU C C 84 177.528 177.528 176.972 0.556 17849 1853 1 3 . 1 1 84 84 GLU CA C 84 57.198 57.198 59.067 -1.869 17849 1854 1 3 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.565 0.548 17849 1855 1 3 . 1 1 84 84 GLU H H 84 8.567 8.567 7.845 0.722 17849 1856 1 3 . 1 1 85 85 LEU N N 85 122.788 122.788 117.976 4.812 17849 1857 1 3 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.306 -0.111 17849 1858 1 3 . 1 1 85 85 LEU CA C 85 56.517 56.517 55.226 1.291 17849 1859 1 3 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.900 1.516 17849 1860 1 3 . 1 1 85 85 LEU H H 85 8.434 8.434 8.027 0.407 17849 1861 1 3 . 1 1 86 86 LEU N N 86 119.558 119.558 118.499 1.059 17849 1862 1 3 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.412 -0.255 17849 1863 1 3 . 1 1 86 86 LEU CA C 86 56.119 56.119 56.913 -0.794 17849 1864 1 3 . 1 1 86 86 LEU CB C 86 41.558 41.558 43.218 -1.660 17849 1865 1 3 . 1 1 86 86 LEU H H 86 8.037 8.037 7.146 0.891 17849 1866 1 3 . 1 1 87 87 GLU N N 87 121.323 121.323 117.489 3.834 17849 1867 1 3 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.183 -0.260 17849 1868 1 3 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.181 1.367 17849 1869 1 3 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.671 -0.327 17849 1870 1 3 . 1 1 87 87 GLU H H 87 8.192 8.192 7.694 0.498 17849 1871 1 3 . 1 1 88 88 ALA N N 88 119.942 119.942 121.003 -1.061 17849 1872 1 3 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.236 -0.160 17849 1873 1 3 . 1 1 88 88 ALA C C 88 178.281 178.281 176.944 1.337 17849 1874 1 3 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.221 1.260 17849 1875 1 3 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.985 -0.175 17849 1876 1 3 . 1 1 88 88 ALA H H 88 8.363 8.363 7.472 0.891 17849 1877 1 3 . 1 1 89 89 PHE N N 89 111.807 111.807 116.458 -4.651 17849 1878 1 3 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.395 0.094 17849 1879 1 3 . 1 1 89 89 PHE C C 89 176.632 176.632 175.481 1.151 17849 1880 1 3 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.190 1.288 17849 1881 1 3 . 1 1 89 89 PHE CB C 89 38.642 38.642 40.352 -1.710 17849 1882 1 3 . 1 1 89 89 PHE H H 89 7.855 7.855 7.260 0.595 17849 1883 1 3 . 1 1 90 90 LYS N N 90 120.375 120.375 122.007 -1.632 17849 1884 1 3 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.238 -0.240 17849 1885 1 3 . 1 1 90 90 LYS C C 90 178.490 178.490 177.571 0.919 17849 1886 1 3 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.140 1.854 17849 1887 1 3 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.781 -0.867 17849 1888 1 3 . 1 1 90 90 LYS H H 90 7.957 7.957 7.442 0.515 17849 1889 1 3 . 1 1 91 91 VAL N N 91 116.643 116.643 119.308 -2.665 17849 1890 1 3 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.722 0.152 17849 1891 1 3 . 1 1 91 91 VAL C C 91 175.413 175.413 176.480 -1.067 17849 1892 1 3 . 1 1 91 91 VAL CA C 91 63.693 63.693 64.957 -1.264 17849 1893 1 3 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.288 -0.054 17849 1894 1 3 . 1 1 91 91 VAL H H 91 7.389 7.389 8.213 -0.824 17849 1895 1 3 . 1 1 92 92 PHE N N 92 115.769 115.769 115.227 0.542 17849 1896 1 3 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.345 0.175 17849 1897 1 3 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.104 1.071 17849 1898 1 3 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.626 1.608 17849 1899 1 3 . 1 1 92 92 PHE H H 92 7.534 7.534 7.431 0.103 17849 1900 1 3 . 1 1 93 93 ASP N N 93 115.397 115.397 119.564 -4.167 17849 1901 1 3 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.710 0.148 17849 1902 1 3 . 1 1 93 93 ASP C C 93 177.421 177.421 176.582 0.839 17849 1903 1 3 . 1 1 93 93 ASP CA C 93 52.466 52.466 54.458 -1.992 17849 1904 1 3 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.672 -1.692 17849 1905 1 3 . 1 1 93 93 ASP H H 93 7.543 7.543 8.081 -0.538 17849 1906 1 3 . 1 1 94 94 LYS N N 94 125.591 125.591 124.957 0.634 17849 1907 1 3 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.253 -0.174 17849 1908 1 3 . 1 1 94 94 LYS C C 94 177.856 177.856 177.396 0.460 17849 1909 1 3 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.752 1.179 17849 1910 1 3 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.760 -0.366 17849 1911 1 3 . 1 1 94 94 LYS H H 94 7.873 7.873 8.276 -0.403 17849 1912 1 3 . 1 1 95 95 ASN N N 95 112.796 112.796 116.564 -3.768 17849 1913 1 3 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.734 0.063 17849 1914 1 3 . 1 1 95 95 ASN C C 95 176.619 176.619 175.512 1.107 17849 1915 1 3 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.684 -0.774 17849 1916 1 3 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.551 -0.275 17849 1917 1 3 . 1 1 95 95 ASN H H 95 8.272 8.272 7.804 0.468 17849 1918 1 3 . 1 1 96 96 GLY N N 96 109.132 109.132 108.440 0.692 17849 1919 1 3 . 1 1 96 96 GLY C C 96 174.799 174.799 174.398 0.401 17849 1920 1 3 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.333 1.238 17849 1921 1 3 . 1 1 96 96 GLY H H 96 7.654 7.654 7.727 -0.073 17849 1922 1 3 . 1 1 97 97 ASP N N 97 118.796 118.796 121.649 -2.853 17849 1923 1 3 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.720 -0.190 17849 1924 1 3 . 1 1 97 97 ASP C C 97 177.137 177.137 177.428 -0.291 17849 1925 1 3 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.355 0.037 17849 1926 1 3 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.431 -1.042 17849 1927 1 3 . 1 1 97 97 ASP H H 97 8.090 8.090 8.451 -0.361 17849 1928 1 3 . 1 1 98 98 GLY N N 98 112.962 112.962 108.343 4.619 17849 1929 1 3 . 1 1 98 98 GLY C C 98 172.142 172.142 173.891 -1.749 17849 1930 1 3 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.910 -0.186 17849 1931 1 3 . 1 1 98 98 GLY H H 98 10.329 10.329 8.449 1.880 17849 1932 1 3 . 1 1 99 99 LEU N N 99 119.691 119.691 118.691 1.000 17849 1933 1 3 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.873 -0.111 17849 1934 1 3 . 1 1 99 99 LEU C C 99 176.162 176.162 174.895 1.267 17849 1935 1 3 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.334 -1.510 17849 1936 1 3 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.796 -1.014 17849 1937 1 3 . 1 1 99 99 LEU H H 99 8.000 8.000 8.487 -0.487 17849 1938 1 3 . 1 1 100 100 ILE N N 100 127.464 127.464 117.473 9.991 17849 1939 1 3 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.851 -0.177 17849 1940 1 3 . 1 1 100 100 ILE C C 100 175.006 175.006 174.490 0.516 17849 1941 1 3 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.875 0.545 17849 1942 1 3 . 1 1 100 100 ILE CB C 100 37.811 37.811 41.211 -3.400 17849 1943 1 3 . 1 1 100 100 ILE H H 100 9.491 9.491 8.101 1.390 17849 1944 1 3 . 1 1 101 101 SER N N 101 123.104 123.104 120.242 2.862 17849 1945 1 3 . 1 1 101 101 SER HA H 101 4.770 4.770 4.710 0.060 17849 1946 1 3 . 1 1 101 101 SER C C 101 174.847 174.847 175.874 -1.027 17849 1947 1 3 . 1 1 101 101 SER CA C 101 55.854 55.854 56.348 -0.494 17849 1948 1 3 . 1 1 101 101 SER CB C 101 65.994 65.994 65.468 0.526 17849 1949 1 3 . 1 1 101 101 SER H H 101 9.058 9.058 8.254 0.804 17849 1950 1 3 . 1 1 102 102 ALA N N 102 124.316 124.316 123.534 0.782 17849 1951 1 3 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.476 -0.860 17849 1952 1 3 . 1 1 102 102 ALA C C 102 179.388 179.388 178.735 0.653 17849 1953 1 3 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.347 0.377 17849 1954 1 3 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.714 -1.399 17849 1955 1 3 . 1 1 102 102 ALA H H 102 8.587 8.587 8.978 -0.391 17849 1956 1 3 . 1 1 103 103 ALA N N 103 118.346 118.346 120.104 -1.758 17849 1957 1 3 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.049 -0.049 17849 1958 1 3 . 1 1 103 103 ALA C C 103 181.188 181.188 178.775 2.413 17849 1959 1 3 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.230 0.828 17849 1960 1 3 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.491 -0.102 17849 1961 1 3 . 1 1 103 103 ALA H H 103 8.266 8.266 8.009 0.257 17849 1962 1 3 . 1 1 104 104 GLU N N 104 120.568 120.568 118.160 2.408 17849 1963 1 3 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.285 -0.229 17849 1964 1 3 . 1 1 104 104 GLU C C 104 178.762 178.762 178.488 0.274 17849 1965 1 3 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.514 1.454 17849 1966 1 3 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.798 -0.887 17849 1967 1 3 . 1 1 104 104 GLU H H 104 7.928 7.928 8.059 -0.131 17849 1968 1 3 . 1 1 105 105 LEU N N 105 117.903 117.903 120.914 -3.011 17849 1969 1 3 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.031 -0.002 17849 1970 1 3 . 1 1 105 105 LEU C C 105 178.497 178.497 179.146 -0.649 17849 1971 1 3 . 1 1 105 105 LEU CA C 105 58.453 58.453 58.105 0.348 17849 1972 1 3 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.233 0.959 17849 1973 1 3 . 1 1 105 105 LEU H H 105 7.926 7.926 8.599 -0.673 17849 1974 1 3 . 1 1 106 106 LYS N N 106 115.836 115.836 119.195 -3.359 17849 1975 1 3 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.099 -0.300 17849 1976 1 3 . 1 1 106 106 LYS C C 106 179.102 179.102 178.475 0.627 17849 1977 1 3 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.098 1.074 17849 1978 1 3 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.224 0.386 17849 1979 1 3 . 1 1 106 106 LYS H H 106 8.337 8.337 7.705 0.631 17849 1980 1 3 . 1 1 107 107 HIS N N 107 119.620 119.620 116.505 3.115 17849 1981 1 3 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.543 -0.289 17849 1982 1 3 . 1 1 107 107 HIS C C 107 178.167 178.167 177.359 0.808 17849 1983 1 3 . 1 1 107 107 HIS CA C 107 59.928 59.928 56.826 3.102 17849 1984 1 3 . 1 1 107 107 HIS CB C 107 30.584 30.584 29.420 1.164 17849 1985 1 3 . 1 1 107 107 HIS H H 107 8.502 8.502 7.290 1.212 17849 1986 1 3 . 1 1 108 108 VAL N N 108 118.595 118.595 121.555 -2.960 17849 1987 1 3 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.559 0.097 17849 1988 1 3 . 1 1 108 108 VAL C C 108 178.608 178.608 176.088 2.520 17849 1989 1 3 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.775 0.581 17849 1990 1 3 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.374 0.941 17849 1991 1 3 . 1 1 108 108 VAL H H 108 8.348 8.348 7.954 0.394 17849 1992 1 3 . 1 1 109 109 LEU N N 109 116.755 116.755 115.635 1.120 17849 1993 1 3 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.049 0.095 17849 1994 1 3 . 1 1 109 109 LEU C C 109 179.267 179.267 177.950 1.317 17849 1995 1 3 . 1 1 109 109 LEU CA C 109 57.454 57.454 56.895 0.559 17849 1996 1 3 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.436 0.667 17849 1997 1 3 . 1 1 109 109 LEU H H 109 8.251 8.251 7.328 0.923 17849 1998 1 3 . 1 1 110 110 THR N N 110 111.046 111.046 110.358 0.688 17849 1999 1 3 . 1 1 110 110 THR HA H 110 4.256 4.256 4.404 -0.148 17849 2000 1 3 . 1 1 110 110 THR C C 110 175.897 175.897 174.580 1.317 17849 2001 1 3 . 1 1 110 110 THR CA C 110 64.465 64.465 62.560 1.905 17849 2002 1 3 . 1 1 110 110 THR CB C 110 69.431 69.431 69.195 0.236 17849 2003 1 3 . 1 1 110 110 THR H H 110 8.085 8.085 7.911 0.174 17849 2004 1 3 . 1 1 111 111 SER N N 111 117.074 117.074 116.924 0.150 17849 2005 1 3 . 1 1 111 111 SER HA H 111 4.406 4.406 4.215 0.191 17849 2006 1 3 . 1 1 111 111 SER C C 111 175.051 175.051 175.772 -0.721 17849 2007 1 3 . 1 1 111 111 SER CA C 111 59.968 59.968 60.930 -0.962 17849 2008 1 3 . 1 1 111 111 SER CB C 111 63.391 63.391 63.820 -0.429 17849 2009 1 3 . 1 1 111 111 SER H H 111 7.681 7.681 7.676 0.005 17849 2010 1 3 . 1 1 112 112 ILE N N 112 119.783 119.783 114.511 5.272 17849 2011 1 3 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.771 0.320 17849 2012 1 3 . 1 1 112 112 ILE C C 112 177.040 177.040 175.341 1.699 17849 2013 1 3 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.443 1.081 17849 2014 1 3 . 1 1 112 112 ILE CB C 112 38.344 38.344 34.915 3.429 17849 2015 1 3 . 1 1 112 112 ILE H H 112 7.444 7.444 7.608 -0.164 17849 2016 1 3 . 1 1 113 113 GLY N N 113 110.432 110.432 108.434 1.998 17849 2017 1 3 . 1 1 113 113 GLY C C 113 174.442 174.442 175.566 -1.124 17849 2018 1 3 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.316 0.327 17849 2019 1 3 . 1 1 113 113 GLY H H 113 8.148 8.148 7.538 0.610 17849 2020 1 3 . 1 1 114 114 GLU N N 114 120.374 120.374 125.835 -5.461 17849 2021 1 3 . 1 1 114 114 GLU HA H 114 4.266 4.266 3.959 0.307 17849 2022 1 3 . 1 1 114 114 GLU C C 114 176.556 176.556 176.539 0.017 17849 2023 1 3 . 1 1 114 114 GLU CA C 114 56.773 56.773 58.288 -1.515 17849 2024 1 3 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.631 0.659 17849 2025 1 3 . 1 1 114 114 GLU H H 114 8.092 8.092 8.511 -0.419 17849 2026 1 3 . 1 1 115 115 LYS N N 115 121.383 121.383 120.601 0.782 17849 2027 1 3 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.563 -0.228 17849 2028 1 3 . 1 1 115 115 LYS C C 115 176.654 176.654 175.474 1.180 17849 2029 1 3 . 1 1 115 115 LYS CA C 115 56.299 56.299 55.655 0.644 17849 2030 1 3 . 1 1 115 115 LYS CB C 115 32.839 32.839 34.502 -1.663 17849 2031 1 3 . 1 1 115 115 LYS H H 115 8.221 8.221 7.895 0.326 17849 2032 1 3 . 1 1 116 116 LEU N N 116 123.146 123.146 123.317 -0.171 17849 2033 1 3 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.653 -0.232 17849 2034 1 3 . 1 1 116 116 LEU C C 116 177.677 177.677 176.560 1.117 17849 2035 1 3 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.753 0.567 17849 2036 1 3 . 1 1 116 116 LEU CB C 116 42.309 42.309 44.024 -1.715 17849 2037 1 3 . 1 1 116 116 LEU H H 116 8.265 8.265 8.349 -0.084 17849 2038 1 3 . 1 1 117 117 THR N N 117 113.859 113.859 113.733 0.126 17849 2039 1 3 . 1 1 117 117 THR HA H 117 4.337 4.337 4.615 -0.278 17849 2040 1 3 . 1 1 117 117 THR C C 117 174.535 174.535 174.831 -0.296 17849 2041 1 3 . 1 1 117 117 THR CA C 117 61.824 61.824 60.411 1.413 17849 2042 1 3 . 1 1 117 117 THR CB C 117 70.096 70.096 71.276 -1.180 17849 2043 1 3 . 1 1 117 117 THR H H 117 8.182 8.182 8.114 0.068 17849 2044 1 3 . 1 1 118 118 ASP N N 118 122.049 122.049 118.852 3.197 17849 2045 1 3 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.906 -0.373 17849 2046 1 3 . 1 1 118 118 ASP C C 118 176.728 176.728 177.026 -0.298 17849 2047 1 3 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.229 -0.011 17849 2048 1 3 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.115 0.737 17849 2049 1 3 . 1 1 118 118 ASP H H 118 8.367 8.367 8.675 -0.308 17849 2050 1 3 . 1 1 119 119 ALA N N 119 123.432 123.432 121.349 2.083 17849 2051 1 3 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.178 0.041 17849 2052 1 3 . 1 1 119 119 ALA C C 119 178.486 178.486 177.946 0.540 17849 2053 1 3 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.360 0.073 17849 2054 1 3 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.438 0.637 17849 2055 1 3 . 1 1 119 119 ALA H H 119 8.206 8.206 7.505 0.701 17849 2056 1 3 . 1 1 120 120 GLU N N 120 118.592 118.592 118.263 0.329 17849 2057 1 3 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.107 0.075 17849 2058 1 3 . 1 1 120 120 GLU C C 120 177.133 177.133 177.583 -0.450 17849 2059 1 3 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.607 -1.502 17849 2060 1 3 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.537 0.515 17849 2061 1 3 . 1 1 120 120 GLU H H 120 8.187 8.187 7.799 0.388 17849 2062 1 3 . 1 1 121 121 LEU N N 121 121.427 121.427 114.872 6.555 17849 2063 1 3 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.647 -0.443 17849 2064 1 3 . 1 1 121 121 LEU C C 121 177.710 177.710 177.765 -0.055 17849 2065 1 3 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.225 0.527 17849 2066 1 3 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.816 -0.558 17849 2067 1 3 . 1 1 121 121 LEU H H 121 8.020 8.020 7.347 0.673 17849 2068 1 3 . 1 1 122 122 GLU N N 122 119.850 119.850 121.033 -1.183 17849 2069 1 3 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.272 -0.145 17849 2070 1 3 . 1 1 122 122 GLU C C 122 176.518 176.518 176.287 0.231 17849 2071 1 3 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.949 -0.935 17849 2072 1 3 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.521 0.535 17849 2073 1 3 . 1 1 122 122 GLU H H 122 8.118 8.118 7.781 0.337 17849 2074 1 3 . 1 1 123 123 HIS N N 123 118.817 118.817 124.307 -5.490 17849 2075 1 3 . 1 1 123 123 HIS CA C 123 56.259 56.259 56.450 -0.191 17849 2076 1 3 . 1 1 123 123 HIS H H 123 8.106 8.106 8.787 -0.681 17849 2077 1 4 . 1 1 2 2 SER HA H 2 4.507 4.507 4.513 -0.006 17849 2078 1 4 . 1 1 2 2 SER CA C 2 58.342 58.342 58.588 -0.246 17849 2079 1 4 . 1 1 2 2 SER CB C 2 63.883 63.883 63.817 0.066 17849 2080 1 4 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.705 0.059 17849 2081 1 4 . 1 1 3 3 ASN C C 3 174.784 174.784 175.163 -0.379 17849 2082 1 4 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.601 0.524 17849 2083 1 4 . 1 1 3 3 ASN CB C 3 38.893 38.893 38.837 0.056 17849 2084 1 4 . 1 1 4 4 LEU N N 4 121.466 121.466 122.912 -1.446 17849 2085 1 4 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.176 0.524 17849 2086 1 4 . 1 1 4 4 LEU C C 4 177.665 177.665 177.929 -0.264 17849 2087 1 4 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.847 -1.335 17849 2088 1 4 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.472 1.167 17849 2089 1 4 . 1 1 4 4 LEU H H 4 8.097 8.097 8.533 -0.436 17849 2090 1 4 . 1 1 5 5 THR N N 5 112.990 112.990 109.879 3.111 17849 2091 1 4 . 1 1 5 5 THR HA H 5 4.481 4.481 4.541 -0.060 17849 2092 1 4 . 1 1 5 5 THR C C 5 175.474 175.474 175.484 -0.010 17849 2093 1 4 . 1 1 5 5 THR CA C 5 60.528 60.528 60.088 0.440 17849 2094 1 4 . 1 1 5 5 THR CB C 5 71.244 71.244 71.520 -0.276 17849 2095 1 4 . 1 1 5 5 THR H H 5 8.778 8.778 8.049 0.729 17849 2096 1 4 . 1 1 6 6 GLU N N 6 120.343 120.343 122.309 -1.966 17849 2097 1 4 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.998 0.004 17849 2098 1 4 . 1 1 6 6 GLU C C 6 179.568 179.568 178.214 1.354 17849 2099 1 4 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.367 0.809 17849 2100 1 4 . 1 1 6 6 GLU CB C 6 29.225 29.225 28.982 0.243 17849 2101 1 4 . 1 1 6 6 GLU H H 6 9.078 9.078 9.065 0.013 17849 2102 1 4 . 1 1 7 7 GLU N N 7 119.544 119.544 120.359 -0.815 17849 2103 1 4 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.050 0.061 17849 2104 1 4 . 1 1 7 7 GLU C C 7 179.170 179.170 178.795 0.375 17849 2105 1 4 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.918 1.119 17849 2106 1 4 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.539 -0.422 17849 2107 1 4 . 1 1 7 7 GLU H H 7 8.820 8.820 7.573 1.247 17849 2108 1 4 . 1 1 8 8 GLN N N 8 119.824 119.824 118.963 0.861 17849 2109 1 4 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.880 0.284 17849 2110 1 4 . 1 1 8 8 GLN C C 8 179.652 179.652 178.851 0.801 17849 2111 1 4 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.951 -0.199 17849 2112 1 4 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.792 0.947 17849 2113 1 4 . 1 1 8 8 GLN H H 8 7.812 7.812 7.589 0.223 17849 2114 1 4 . 1 1 9 9 ILE N N 9 120.978 120.978 119.706 1.272 17849 2115 1 4 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.848 0.004 17849 2116 1 4 . 1 1 9 9 ILE C C 9 177.899 177.899 177.933 -0.034 17849 2117 1 4 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.350 1.226 17849 2118 1 4 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.785 0.204 17849 2119 1 4 . 1 1 9 9 ILE H H 9 8.634 8.634 8.672 -0.038 17849 2120 1 4 . 1 1 10 10 ALA N N 10 121.528 121.528 121.488 0.040 17849 2121 1 4 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.059 0.047 17849 2122 1 4 . 1 1 10 10 ALA C C 10 180.886 180.886 179.382 1.504 17849 2123 1 4 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.137 0.281 17849 2124 1 4 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.951 -0.176 17849 2125 1 4 . 1 1 10 10 ALA H H 10 8.142 8.142 7.958 0.184 17849 2126 1 4 . 1 1 11 11 GLU N N 11 118.807 118.807 117.755 1.052 17849 2127 1 4 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.159 0.055 17849 2128 1 4 . 1 1 11 11 GLU C C 11 180.292 180.292 179.173 1.119 17849 2129 1 4 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.483 0.881 17849 2130 1 4 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.758 0.030 17849 2131 1 4 . 1 1 11 11 GLU H H 11 7.810 7.810 7.663 0.147 17849 2132 1 4 . 1 1 12 12 PHE N N 12 118.671 118.671 119.906 -1.235 17849 2133 1 4 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.404 0.243 17849 2134 1 4 . 1 1 12 12 PHE C C 12 179.032 179.032 178.026 1.006 17849 2135 1 4 . 1 1 12 12 PHE CA C 12 63.160 63.160 60.407 2.753 17849 2136 1 4 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.095 0.920 17849 2137 1 4 . 1 1 12 12 PHE H H 12 8.432 8.432 8.156 0.276 17849 2138 1 4 . 1 1 13 13 LYS N N 13 123.536 123.536 119.856 3.680 17849 2139 1 4 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.618 0.222 17849 2140 1 4 . 1 1 13 13 LYS C C 13 179.114 179.114 179.026 0.088 17849 2141 1 4 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.973 0.115 17849 2142 1 4 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.059 -0.407 17849 2143 1 4 . 1 1 13 13 LYS H H 13 8.981 8.981 8.580 0.401 17849 2144 1 4 . 1 1 14 14 GLU N N 14 119.691 119.691 119.048 0.643 17849 2145 1 4 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.299 -0.202 17849 2146 1 4 . 1 1 14 14 GLU C C 14 179.285 179.285 178.470 0.815 17849 2147 1 4 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.479 0.766 17849 2148 1 4 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.771 -0.130 17849 2149 1 4 . 1 1 14 14 GLU H H 14 7.737 7.737 8.001 -0.264 17849 2150 1 4 . 1 1 15 15 ALA N N 15 120.127 120.127 122.788 -2.661 17849 2151 1 4 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.141 0.026 17849 2152 1 4 . 1 1 15 15 ALA C C 15 178.607 178.607 179.613 -1.006 17849 2153 1 4 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.079 -0.020 17849 2154 1 4 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.472 0.659 17849 2155 1 4 . 1 1 15 15 ALA H H 15 7.747 7.747 7.778 -0.031 17849 2156 1 4 . 1 1 16 16 PHE N N 16 119.058 119.058 118.310 0.748 17849 2157 1 4 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.956 -0.649 17849 2158 1 4 . 1 1 16 16 PHE C C 16 177.236 177.236 176.551 0.685 17849 2159 1 4 . 1 1 16 16 PHE CA C 16 61.705 61.705 59.770 1.935 17849 2160 1 4 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.177 0.575 17849 2161 1 4 . 1 1 16 16 PHE H H 16 8.908 8.908 8.192 0.716 17849 2162 1 4 . 1 1 17 17 ALA N N 17 119.352 119.352 121.756 -2.404 17849 2163 1 4 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.136 -0.013 17849 2164 1 4 . 1 1 17 17 ALA C C 17 178.680 178.680 178.750 -0.070 17849 2165 1 4 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.427 0.112 17849 2166 1 4 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.467 -0.252 17849 2167 1 4 . 1 1 17 17 ALA H H 17 7.877 7.877 7.572 0.305 17849 2168 1 4 . 1 1 18 18 LEU N N 18 115.281 115.281 117.287 -2.006 17849 2169 1 4 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.183 -0.128 17849 2170 1 4 . 1 1 18 18 LEU C C 18 178.393 178.393 177.856 0.537 17849 2171 1 4 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.332 -0.690 17849 2172 1 4 . 1 1 18 18 LEU CB C 18 41.743 41.743 42.142 -0.399 17849 2173 1 4 . 1 1 18 18 LEU H H 18 7.369 7.369 8.178 -0.809 17849 2174 1 4 . 1 1 19 19 PHE N N 19 115.719 115.719 114.245 1.474 17849 2175 1 4 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.393 -0.184 17849 2176 1 4 . 1 1 19 19 PHE C C 19 176.704 176.704 175.808 0.896 17849 2177 1 4 . 1 1 19 19 PHE CA C 19 59.233 59.233 58.766 0.467 17849 2178 1 4 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.619 2.051 17849 2179 1 4 . 1 1 19 19 PHE H H 19 7.468 7.468 7.888 -0.420 17849 2180 1 4 . 1 1 20 20 ASP N N 20 117.209 117.209 119.838 -2.629 17849 2181 1 4 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.764 -0.303 17849 2182 1 4 . 1 1 20 20 ASP C C 20 176.557 176.557 175.957 0.600 17849 2183 1 4 . 1 1 20 20 ASP CA C 20 52.245 52.245 53.996 -1.751 17849 2184 1 4 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.465 -3.317 17849 2185 1 4 . 1 1 20 20 ASP H H 20 7.488 7.488 7.888 -0.400 17849 2186 1 4 . 1 1 21 21 LYS N N 21 124.086 124.086 125.266 -1.180 17849 2187 1 4 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.242 -0.244 17849 2188 1 4 . 1 1 21 21 LYS C C 21 177.844 177.844 177.915 -0.071 17849 2189 1 4 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.012 0.296 17849 2190 1 4 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.906 -0.454 17849 2191 1 4 . 1 1 21 21 LYS H H 21 7.376 7.376 8.494 -1.118 17849 2192 1 4 . 1 1 22 22 ASP N N 22 114.097 114.097 115.686 -1.589 17849 2193 1 4 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.566 0.038 17849 2194 1 4 . 1 1 22 22 ASP C C 22 176.349 176.349 176.244 0.105 17849 2195 1 4 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.468 -0.765 17849 2196 1 4 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.589 -1.234 17849 2197 1 4 . 1 1 22 22 ASP H H 22 8.113 8.113 8.043 0.070 17849 2198 1 4 . 1 1 23 23 ASN N N 23 115.562 115.562 117.644 -2.082 17849 2199 1 4 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.468 -0.073 17849 2200 1 4 . 1 1 23 23 ASN C C 23 174.864 174.864 174.812 0.052 17849 2201 1 4 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.626 0.774 17849 2202 1 4 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.800 0.124 17849 2203 1 4 . 1 1 23 23 ASN H H 23 8.048 8.048 8.546 -0.498 17849 2204 1 4 . 1 1 24 24 ASN N N 24 117.615 117.615 118.014 -0.399 17849 2205 1 4 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.722 0.113 17849 2206 1 4 . 1 1 24 24 ASN C C 24 177.445 177.445 176.247 1.198 17849 2207 1 4 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.263 -0.848 17849 2208 1 4 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.577 -1.096 17849 2209 1 4 . 1 1 24 24 ASN H H 24 8.517 8.517 9.000 -0.483 17849 2210 1 4 . 1 1 25 25 GLY N N 25 114.308 114.308 107.627 6.681 17849 2211 1 4 . 1 1 25 25 GLY C C 25 173.105 173.105 173.292 -0.187 17849 2212 1 4 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.805 0.675 17849 2213 1 4 . 1 1 25 25 GLY H H 25 10.729 10.729 8.763 1.966 17849 2214 1 4 . 1 1 26 26 SER N N 26 113.267 113.267 117.227 -3.960 17849 2215 1 4 . 1 1 26 26 SER HA H 26 5.330 5.330 5.566 -0.236 17849 2216 1 4 . 1 1 26 26 SER C C 26 172.610 172.610 174.109 -1.499 17849 2217 1 4 . 1 1 26 26 SER CA C 26 57.375 57.375 57.591 -0.216 17849 2218 1 4 . 1 1 26 26 SER CB C 26 66.504 66.504 65.439 1.065 17849 2219 1 4 . 1 1 26 26 SER H H 26 7.773 7.773 7.529 0.244 17849 2220 1 4 . 1 1 27 27 ILE N N 27 127.124 127.124 125.347 1.777 17849 2221 1 4 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.476 0.412 17849 2222 1 4 . 1 1 27 27 ILE C C 27 175.876 175.876 175.553 0.323 17849 2223 1 4 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.677 -0.641 17849 2224 1 4 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.103 -1.207 17849 2225 1 4 . 1 1 27 27 ILE H H 27 9.848 9.848 8.583 1.265 17849 2226 1 4 . 1 1 28 28 SER N N 28 124.825 124.825 118.793 6.032 17849 2227 1 4 . 1 1 28 28 SER HA H 28 4.771 4.771 5.321 -0.550 17849 2228 1 4 . 1 1 28 28 SER C C 28 175.395 175.395 175.862 -0.467 17849 2229 1 4 . 1 1 28 28 SER CA C 28 56.680 56.680 55.928 0.752 17849 2230 1 4 . 1 1 28 28 SER CB C 28 66.154 66.154 66.818 -0.664 17849 2231 1 4 . 1 1 28 28 SER H H 28 9.347 9.347 8.110 1.237 17849 2232 1 4 . 1 1 29 29 SER N N 29 116.882 116.882 118.486 -1.604 17849 2233 1 4 . 1 1 29 29 SER HA H 29 4.144 4.144 4.068 0.076 17849 2234 1 4 . 1 1 29 29 SER C C 29 176.516 176.516 176.102 0.414 17849 2235 1 4 . 1 1 29 29 SER CA C 29 62.634 62.634 62.503 0.131 17849 2236 1 4 . 1 1 29 29 SER CB C 29 62.227 62.227 62.679 -0.452 17849 2237 1 4 . 1 1 29 29 SER H H 29 9.604 9.604 9.089 0.515 17849 2238 1 4 . 1 1 30 30 SER N N 30 116.141 116.141 119.491 -3.350 17849 2239 1 4 . 1 1 30 30 SER HA H 30 4.327 4.327 4.103 0.224 17849 2240 1 4 . 1 1 30 30 SER C C 30 177.965 177.965 176.609 1.356 17849 2241 1 4 . 1 1 30 30 SER CA C 30 61.341 61.341 61.753 -0.412 17849 2242 1 4 . 1 1 30 30 SER CB C 30 62.429 62.429 62.918 -0.489 17849 2243 1 4 . 1 1 30 30 SER H H 30 8.184 8.184 8.384 -0.200 17849 2244 1 4 . 1 1 31 31 GLU N N 31 124.933 124.933 121.663 3.270 17849 2245 1 4 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.062 0.029 17849 2246 1 4 . 1 1 31 31 GLU C C 31 179.355 179.355 178.973 0.382 17849 2247 1 4 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.581 0.861 17849 2248 1 4 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.358 -0.023 17849 2249 1 4 . 1 1 31 31 GLU H H 31 7.973 7.973 7.678 0.295 17849 2250 1 4 . 1 1 32 32 LEU N N 32 120.778 120.778 121.292 -0.514 17849 2251 1 4 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.206 -0.039 17849 2252 1 4 . 1 1 32 32 LEU C C 32 178.364 178.364 178.578 -0.214 17849 2253 1 4 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.487 0.860 17849 2254 1 4 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.131 -0.020 17849 2255 1 4 . 1 1 32 32 LEU H H 32 8.616 8.616 8.378 0.238 17849 2256 1 4 . 1 1 33 33 ALA N N 33 120.423 120.423 121.130 -0.707 17849 2257 1 4 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.917 -0.041 17849 2258 1 4 . 1 1 33 33 ALA C C 33 179.394 179.394 179.140 0.254 17849 2259 1 4 . 1 1 33 33 ALA CA C 33 55.788 55.788 54.964 0.824 17849 2260 1 4 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.795 0.723 17849 2261 1 4 . 1 1 33 33 ALA H H 33 8.688 8.688 8.641 0.047 17849 2262 1 4 . 1 1 34 34 THR N N 34 114.299 114.299 114.212 0.087 17849 2263 1 4 . 1 1 34 34 THR HA H 34 3.902 3.902 4.001 -0.099 17849 2264 1 4 . 1 1 34 34 THR C C 34 177.161 177.161 176.512 0.649 17849 2265 1 4 . 1 1 34 34 THR CA C 34 67.173 67.173 66.519 0.654 17849 2266 1 4 . 1 1 34 34 THR CB C 34 68.712 68.712 68.715 -0.003 17849 2267 1 4 . 1 1 34 34 THR H H 34 8.219 8.219 7.619 0.600 17849 2268 1 4 . 1 1 35 35 VAL N N 35 122.638 122.638 119.904 2.734 17849 2269 1 4 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.524 0.060 17849 2270 1 4 . 1 1 35 35 VAL C C 35 178.403 178.403 177.576 0.827 17849 2271 1 4 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.246 0.639 17849 2272 1 4 . 1 1 35 35 VAL CB C 35 31.361 31.361 30.998 0.363 17849 2273 1 4 . 1 1 35 35 VAL H H 35 7.791 7.791 8.275 -0.484 17849 2274 1 4 . 1 1 36 36 MET N N 36 117.307 117.307 119.034 -1.727 17849 2275 1 4 . 1 1 36 36 MET HA H 36 3.906 3.906 4.079 -0.173 17849 2276 1 4 . 1 1 36 36 MET C C 36 178.456 178.456 178.294 0.162 17849 2277 1 4 . 1 1 36 36 MET CA C 36 59.787 59.787 58.609 1.178 17849 2278 1 4 . 1 1 36 36 MET CB C 36 32.548 32.548 31.707 0.841 17849 2279 1 4 . 1 1 36 36 MET H H 36 8.308 8.308 7.408 0.900 17849 2280 1 4 . 1 1 37 37 ARG N N 37 118.384 118.384 117.363 1.021 17849 2281 1 4 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.143 0.614 17849 2282 1 4 . 1 1 37 37 ARG C C 37 181.371 181.371 179.013 2.358 17849 2283 1 4 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.759 0.128 17849 2284 1 4 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.235 0.863 17849 2285 1 4 . 1 1 37 37 ARG H H 37 8.634 8.634 8.362 0.272 17849 2286 1 4 . 1 1 38 38 SER N N 38 118.916 118.916 113.886 5.030 17849 2287 1 4 . 1 1 38 38 SER HA H 38 4.339 4.339 4.234 0.105 17849 2288 1 4 . 1 1 38 38 SER C C 38 174.705 174.705 175.956 -1.251 17849 2289 1 4 . 1 1 38 38 SER CA C 38 61.793 61.793 60.556 1.237 17849 2290 1 4 . 1 1 38 38 SER CB C 38 62.713 62.713 63.159 -0.446 17849 2291 1 4 . 1 1 38 38 SER H H 38 8.226 8.226 7.495 0.731 17849 2292 1 4 . 1 1 39 39 LEU N N 39 119.948 119.948 120.191 -0.243 17849 2293 1 4 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.094 0.202 17849 2294 1 4 . 1 1 39 39 LEU C C 39 176.723 176.723 177.698 -0.975 17849 2295 1 4 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.047 -2.487 17849 2296 1 4 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.740 -0.751 17849 2297 1 4 . 1 1 39 39 LEU H H 39 7.331 7.331 7.504 -0.173 17849 2298 1 4 . 1 1 40 40 GLY N N 40 105.997 105.997 103.312 2.685 17849 2299 1 4 . 1 1 40 40 GLY C C 40 174.405 174.405 172.532 1.873 17849 2300 1 4 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.005 0.183 17849 2301 1 4 . 1 1 40 40 GLY H H 40 7.889 7.889 7.958 -0.069 17849 2302 1 4 . 1 1 41 41 LEU N N 41 120.071 120.071 116.929 3.142 17849 2303 1 4 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.857 -0.371 17849 2304 1 4 . 1 1 41 41 LEU C C 41 175.829 175.829 173.735 2.094 17849 2305 1 4 . 1 1 41 41 LEU CA C 41 54.187 54.187 54.735 -0.548 17849 2306 1 4 . 1 1 41 41 LEU CB C 41 42.573 42.573 44.514 -1.941 17849 2307 1 4 . 1 1 41 41 LEU H H 41 7.592 7.592 7.664 -0.072 17849 2308 1 4 . 1 1 42 42 SER N N 42 112.869 112.869 114.447 -1.578 17849 2309 1 4 . 1 1 42 42 SER HA H 42 4.797 4.797 4.894 -0.096 17849 2310 1 4 . 1 1 42 42 SER CA C 42 54.960 54.960 55.530 -0.570 17849 2311 1 4 . 1 1 42 42 SER CB C 42 63.177 63.177 64.427 -1.250 17849 2312 1 4 . 1 1 42 42 SER H H 42 8.761 8.761 8.223 0.538 17849 2313 1 4 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.676 0.032 17849 2314 1 4 . 1 1 43 43 PRO C C 43 177.533 177.533 176.643 0.890 17849 2315 1 4 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.278 -0.103 17849 2316 1 4 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.546 -0.672 17849 2317 1 4 . 1 1 44 44 SER N N 44 119.089 119.089 117.960 1.129 17849 2318 1 4 . 1 1 44 44 SER HA H 44 4.574 4.574 4.408 0.166 17849 2319 1 4 . 1 1 44 44 SER C C 44 174.803 174.803 176.087 -1.284 17849 2320 1 4 . 1 1 44 44 SER CA C 44 56.786 56.786 58.086 -1.300 17849 2321 1 4 . 1 1 44 44 SER CB C 44 65.387 65.387 64.553 0.834 17849 2322 1 4 . 1 1 44 44 SER H H 44 9.014 9.014 8.499 0.515 17849 2323 1 4 . 1 1 45 45 GLU N N 45 121.343 121.343 123.105 -1.762 17849 2324 1 4 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.962 -0.018 17849 2325 1 4 . 1 1 45 45 GLU C C 45 178.978 178.978 178.141 0.837 17849 2326 1 4 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.634 0.472 17849 2327 1 4 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.155 0.148 17849 2328 1 4 . 1 1 45 45 GLU H H 45 8.925 8.925 8.976 -0.051 17849 2329 1 4 . 1 1 46 46 ALA N N 46 120.822 120.822 120.412 0.410 17849 2330 1 4 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.156 -0.010 17849 2331 1 4 . 1 1 46 46 ALA C C 46 179.782 179.782 179.820 -0.038 17849 2332 1 4 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.574 0.512 17849 2333 1 4 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.889 0.367 17849 2334 1 4 . 1 1 46 46 ALA H H 46 8.339 8.339 8.485 -0.146 17849 2335 1 4 . 1 1 47 47 GLU N N 47 118.432 118.432 118.750 -0.318 17849 2336 1 4 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.184 -0.110 17849 2337 1 4 . 1 1 47 47 GLU C C 47 180.222 180.222 178.615 1.607 17849 2338 1 4 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.559 0.650 17849 2339 1 4 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.826 0.059 17849 2340 1 4 . 1 1 47 47 GLU H H 47 7.759 7.759 8.101 -0.342 17849 2341 1 4 . 1 1 48 48 VAL N N 48 120.023 120.023 121.014 -0.991 17849 2342 1 4 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.703 -0.204 17849 2343 1 4 . 1 1 48 48 VAL C C 48 177.380 177.380 177.453 -0.073 17849 2344 1 4 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.577 0.681 17849 2345 1 4 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.715 -0.354 17849 2346 1 4 . 1 1 48 48 VAL H H 48 8.174 8.174 8.352 -0.178 17849 2347 1 4 . 1 1 49 49 ASN N N 49 118.475 118.475 117.941 0.534 17849 2348 1 4 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.310 0.095 17849 2349 1 4 . 1 1 49 49 ASN C C 49 177.352 177.352 176.599 0.753 17849 2350 1 4 . 1 1 49 49 ASN CA C 49 56.710 56.710 57.032 -0.322 17849 2351 1 4 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.127 0.143 17849 2352 1 4 . 1 1 49 49 ASN H H 49 8.208 8.208 8.501 -0.293 17849 2353 1 4 . 1 1 50 50 ASP N N 50 120.147 120.147 120.369 -0.222 17849 2354 1 4 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.429 0.053 17849 2355 1 4 . 1 1 50 50 ASP C C 50 178.973 178.973 179.034 -0.061 17849 2356 1 4 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.986 0.454 17849 2357 1 4 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.959 -0.779 17849 2358 1 4 . 1 1 50 50 ASP H H 50 8.400 8.400 7.540 0.860 17849 2359 1 4 . 1 1 51 51 LEU N N 51 121.706 121.706 119.425 2.281 17849 2360 1 4 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.135 -0.027 17849 2361 1 4 . 1 1 51 51 LEU C C 51 178.796 178.796 178.877 -0.081 17849 2362 1 4 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.075 1.057 17849 2363 1 4 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.769 0.121 17849 2364 1 4 . 1 1 51 51 LEU H H 51 7.830 7.830 7.454 0.376 17849 2365 1 4 . 1 1 52 52 MET N N 52 117.267 117.267 114.578 2.689 17849 2366 1 4 . 1 1 52 52 MET HA H 52 4.145 4.145 4.429 -0.284 17849 2367 1 4 . 1 1 52 52 MET C C 52 178.260 178.260 177.266 0.994 17849 2368 1 4 . 1 1 52 52 MET CA C 52 57.418 57.418 56.231 1.187 17849 2369 1 4 . 1 1 52 52 MET CB C 52 30.089 30.089 31.904 -1.815 17849 2370 1 4 . 1 1 52 52 MET H H 52 8.601 8.601 8.413 0.188 17849 2371 1 4 . 1 1 53 53 ASN N N 53 115.368 115.368 118.198 -2.830 17849 2372 1 4 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.519 0.054 17849 2373 1 4 . 1 1 53 53 ASN C C 53 176.890 176.890 176.250 0.640 17849 2374 1 4 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.970 -0.638 17849 2375 1 4 . 1 1 53 53 ASN CB C 53 38.154 38.154 39.016 -0.862 17849 2376 1 4 . 1 1 53 53 ASN H H 53 8.239 8.239 7.905 0.334 17849 2377 1 4 . 1 1 54 54 GLU N N 54 117.437 117.437 117.048 0.389 17849 2378 1 4 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.197 0.053 17849 2379 1 4 . 1 1 54 54 GLU C C 54 177.019 177.019 177.597 -0.578 17849 2380 1 4 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.431 -0.744 17849 2381 1 4 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.739 0.354 17849 2382 1 4 . 1 1 54 54 GLU H H 54 7.625 7.625 7.565 0.060 17849 2383 1 4 . 1 1 55 55 ILE N N 55 117.098 117.098 117.870 -0.772 17849 2384 1 4 . 1 1 55 55 ILE HA H 55 3.901 3.901 4.070 -0.169 17849 2385 1 4 . 1 1 55 55 ILE C C 55 176.027 176.027 175.383 0.644 17849 2386 1 4 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.007 0.630 17849 2387 1 4 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.594 1.442 17849 2388 1 4 . 1 1 55 55 ILE H H 55 7.496 7.496 7.381 0.115 17849 2389 1 4 . 1 1 56 56 ASP N N 56 118.367 118.367 120.674 -2.307 17849 2390 1 4 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.667 -0.250 17849 2391 1 4 . 1 1 56 56 ASP C C 56 175.761 175.761 176.261 -0.500 17849 2392 1 4 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.798 -0.391 17849 2393 1 4 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.376 -0.143 17849 2394 1 4 . 1 1 56 56 ASP H H 56 8.329 8.329 7.717 0.612 17849 2395 1 4 . 1 1 57 57 VAL N N 57 126.262 126.262 123.654 2.608 17849 2396 1 4 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.990 0.016 17849 2397 1 4 . 1 1 57 57 VAL C C 57 177.253 177.253 176.733 0.520 17849 2398 1 4 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.211 0.014 17849 2399 1 4 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.523 0.663 17849 2400 1 4 . 1 1 57 57 VAL H H 57 8.116 8.116 8.215 -0.099 17849 2401 1 4 . 1 1 58 58 ASP N N 58 116.896 116.896 118.702 -1.806 17849 2402 1 4 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.640 -0.068 17849 2403 1 4 . 1 1 58 58 ASP C C 58 177.670 177.670 176.915 0.755 17849 2404 1 4 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.768 0.037 17849 2405 1 4 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.147 -1.154 17849 2406 1 4 . 1 1 58 58 ASP H H 58 8.356 8.356 8.227 0.129 17849 2407 1 4 . 1 1 59 59 GLY N N 59 107.989 107.989 108.613 -0.624 17849 2408 1 4 . 1 1 59 59 GLY C C 59 174.661 174.661 175.120 -0.459 17849 2409 1 4 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.477 1.602 17849 2410 1 4 . 1 1 59 59 GLY H H 59 7.622 7.622 8.239 -0.617 17849 2411 1 4 . 1 1 60 60 ASN N N 60 118.703 118.703 118.708 -0.005 17849 2412 1 4 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.373 0.169 17849 2413 1 4 . 1 1 60 60 ASN C C 60 175.787 175.787 174.767 1.020 17849 2414 1 4 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.700 -0.417 17849 2415 1 4 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.974 -1.790 17849 2416 1 4 . 1 1 60 60 ASN H H 60 8.096 8.096 8.756 -0.660 17849 2417 1 4 . 1 1 61 61 HIS N N 61 117.475 117.475 111.623 5.852 17849 2418 1 4 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.339 -0.471 17849 2419 1 4 . 1 1 61 61 HIS C C 61 172.407 172.407 173.439 -1.032 17849 2420 1 4 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.932 -0.504 17849 2421 1 4 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.162 0.811 17849 2422 1 4 . 1 1 61 61 HIS H H 61 9.998 9.998 8.973 1.025 17849 2423 1 4 . 1 1 62 62 GLN N N 62 112.629 112.629 116.018 -3.389 17849 2424 1 4 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.536 -0.727 17849 2425 1 4 . 1 1 62 62 GLN C C 62 174.654 174.654 174.884 -0.230 17849 2426 1 4 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.469 -0.661 17849 2427 1 4 . 1 1 62 62 GLN CB C 62 32.125 32.125 33.327 -1.202 17849 2428 1 4 . 1 1 62 62 GLN H H 62 7.541 7.541 8.973 -1.432 17849 2429 1 4 . 1 1 63 63 ILE N N 63 123.800 123.800 125.125 -1.325 17849 2430 1 4 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.529 0.517 17849 2431 1 4 . 1 1 63 63 ILE C C 63 176.626 176.626 176.172 0.454 17849 2432 1 4 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.264 1.629 17849 2433 1 4 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.553 1.627 17849 2434 1 4 . 1 1 63 63 ILE H H 63 9.312 9.312 8.752 0.560 17849 2435 1 4 . 1 1 64 64 GLU N N 64 128.941 128.941 127.250 1.691 17849 2436 1 4 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.859 0.117 17849 2437 1 4 . 1 1 64 64 GLU C C 64 178.001 178.001 177.411 0.590 17849 2438 1 4 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.576 2.144 17849 2439 1 4 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.050 -0.822 17849 2440 1 4 . 1 1 64 64 GLU H H 64 8.846 8.846 8.186 0.660 17849 2441 1 4 . 1 1 65 65 PHE N N 65 124.119 124.119 121.418 2.701 17849 2442 1 4 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.432 -0.906 17849 2443 1 4 . 1 1 65 65 PHE C C 65 176.981 176.981 176.551 0.430 17849 2444 1 4 . 1 1 65 65 PHE CA C 65 62.264 62.264 60.172 2.092 17849 2445 1 4 . 1 1 65 65 PHE CB C 65 37.824 37.824 38.717 -0.893 17849 2446 1 4 . 1 1 65 65 PHE H H 65 9.488 9.488 8.937 0.551 17849 2447 1 4 . 1 1 66 66 SER N N 66 112.445 112.445 114.039 -1.594 17849 2448 1 4 . 1 1 66 66 SER HA H 66 3.667 3.667 4.246 -0.579 17849 2449 1 4 . 1 1 66 66 SER C C 66 177.385 177.385 176.139 1.246 17849 2450 1 4 . 1 1 66 66 SER CA C 66 61.503 61.503 61.002 0.501 17849 2451 1 4 . 1 1 66 66 SER CB C 66 61.285 61.285 63.019 -1.734 17849 2452 1 4 . 1 1 66 66 SER H H 66 8.972 8.972 8.176 0.796 17849 2453 1 4 . 1 1 67 67 GLU N N 67 122.775 122.775 123.090 -0.315 17849 2454 1 4 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.041 0.079 17849 2455 1 4 . 1 1 67 67 GLU C C 67 178.567 178.567 178.372 0.195 17849 2456 1 4 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.086 -1.243 17849 2457 1 4 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.434 -0.185 17849 2458 1 4 . 1 1 67 67 GLU H H 67 6.799 6.799 8.170 -1.371 17849 2459 1 4 . 1 1 68 68 PHE N N 68 123.231 123.231 119.685 3.546 17849 2460 1 4 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.146 -0.315 17849 2461 1 4 . 1 1 68 68 PHE C C 68 175.936 175.936 176.943 -1.007 17849 2462 1 4 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.564 -0.448 17849 2463 1 4 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.421 0.794 17849 2464 1 4 . 1 1 68 68 PHE H H 68 8.176 8.176 8.835 -0.659 17849 2465 1 4 . 1 1 69 69 LEU N N 69 118.554 118.554 117.540 1.014 17849 2466 1 4 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.721 -0.555 17849 2467 1 4 . 1 1 69 69 LEU C C 69 179.074 179.074 177.288 1.786 17849 2468 1 4 . 1 1 69 69 LEU CA C 69 57.132 57.132 55.330 1.802 17849 2469 1 4 . 1 1 69 69 LEU CB C 69 41.266 41.266 40.869 0.397 17849 2470 1 4 . 1 1 69 69 LEU H H 69 8.626 8.626 7.816 0.810 17849 2471 1 4 . 1 1 70 70 ALA N N 70 120.878 120.878 122.746 -1.868 17849 2472 1 4 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.005 -0.120 17849 2473 1 4 . 1 1 70 70 ALA C C 70 179.914 179.914 179.507 0.407 17849 2474 1 4 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.865 0.104 17849 2475 1 4 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.549 -0.772 17849 2476 1 4 . 1 1 70 70 ALA H H 70 7.322 7.322 7.683 -0.361 17849 2477 1 4 . 1 1 71 71 LEU N N 71 118.871 118.871 114.253 4.618 17849 2478 1 4 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.905 0.023 17849 2479 1 4 . 1 1 71 71 LEU C C 71 178.009 178.009 178.362 -0.353 17849 2480 1 4 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.283 0.461 17849 2481 1 4 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.261 0.151 17849 2482 1 4 . 1 1 71 71 LEU H H 71 7.219 7.219 7.095 0.124 17849 2483 1 4 . 1 1 72 72 MET N N 72 113.480 113.480 115.368 -1.888 17849 2484 1 4 . 1 1 72 72 MET HA H 72 4.165 4.165 4.210 -0.045 17849 2485 1 4 . 1 1 72 72 MET CA C 72 55.413 55.413 57.307 -1.894 17849 2486 1 4 . 1 1 72 72 MET CB C 72 31.199 31.199 32.618 -1.419 17849 2487 1 4 . 1 1 72 72 MET H H 72 7.486 7.486 7.091 0.395 17849 2488 1 4 . 1 1 73 73 SER HA H 73 4.337 4.337 4.589 -0.252 17849 2489 1 4 . 1 1 73 73 SER C C 73 174.241 174.241 175.771 -1.530 17849 2490 1 4 . 1 1 73 73 SER CA C 73 59.132 59.132 58.415 0.717 17849 2491 1 4 . 1 1 73 73 SER CB C 73 63.649 63.649 64.148 -0.499 17849 2492 1 4 . 1 1 73 73 SER H H 73 7.699 7.699 7.658 0.041 17849 2493 1 4 . 1 1 74 74 ARG N N 74 121.213 121.213 121.366 -0.153 17849 2494 1 4 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.002 0.209 17849 2495 1 4 . 1 1 74 74 ARG C C 74 175.638 175.638 177.158 -1.520 17849 2496 1 4 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.346 -1.496 17849 2497 1 4 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.888 0.784 17849 2498 1 4 . 1 1 74 74 ARG H H 74 7.400 7.400 7.780 -0.380 17849 2499 1 4 . 1 1 75 75 GLN N N 75 118.914 118.914 117.863 1.051 17849 2500 1 4 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.750 0.565 17849 2501 1 4 . 1 1 75 75 GLN H H 75 8.090 8.090 7.931 0.159 17849 2502 1 4 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.481 -0.094 17849 2503 1 4 . 1 1 77 77 LYS C C 77 176.410 176.410 174.940 1.470 17849 2504 1 4 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.955 0.087 17849 2505 1 4 . 1 1 77 77 LYS CB C 77 33.157 33.157 35.345 -2.188 17849 2506 1 4 . 1 1 78 78 SER N N 78 116.257 116.257 120.598 -4.341 17849 2507 1 4 . 1 1 78 78 SER HA H 78 4.422 4.422 4.499 -0.077 17849 2508 1 4 . 1 1 78 78 SER C C 78 174.436 174.436 173.493 0.943 17849 2509 1 4 . 1 1 78 78 SER CA C 78 58.366 58.366 58.353 0.013 17849 2510 1 4 . 1 1 78 78 SER CB C 78 63.855 63.855 62.711 1.144 17849 2511 1 4 . 1 1 78 78 SER H H 78 8.332 8.332 8.744 -0.412 17849 2512 1 4 . 1 1 79 79 ASN N N 79 120.267 120.267 123.166 -2.899 17849 2513 1 4 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.683 0.044 17849 2514 1 4 . 1 1 79 79 ASN C C 79 174.966 174.966 173.111 1.855 17849 2515 1 4 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.221 0.246 17849 2516 1 4 . 1 1 79 79 ASN CB C 79 38.869 38.869 41.120 -2.251 17849 2517 1 4 . 1 1 79 79 ASN H H 79 8.548 8.548 7.894 0.654 17849 2518 1 4 . 1 1 80 80 ASP N N 80 119.659 119.659 122.773 -3.114 17849 2519 1 4 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.474 0.143 17849 2520 1 4 . 1 1 80 80 ASP C C 80 176.412 176.412 175.480 0.932 17849 2521 1 4 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.432 -0.722 17849 2522 1 4 . 1 1 80 80 ASP CB C 80 41.223 41.223 41.006 0.217 17849 2523 1 4 . 1 1 80 80 ASP H H 80 8.325 8.325 8.649 -0.324 17849 2524 1 4 . 1 1 81 81 SER N N 81 115.425 115.425 119.266 -3.841 17849 2525 1 4 . 1 1 81 81 SER HA H 81 4.414 4.414 4.572 -0.158 17849 2526 1 4 . 1 1 81 81 SER C C 81 174.733 174.733 172.843 1.890 17849 2527 1 4 . 1 1 81 81 SER CA C 81 59.183 59.183 57.061 2.122 17849 2528 1 4 . 1 1 81 81 SER CB C 81 63.784 63.784 66.244 -2.460 17849 2529 1 4 . 1 1 81 81 SER H H 81 8.256 8.256 7.846 0.410 17849 2530 1 4 . 1 1 82 82 GLU N N 82 121.456 121.456 121.446 0.010 17849 2531 1 4 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.196 0.127 17849 2532 1 4 . 1 1 82 82 GLU C C 82 176.385 176.385 176.369 0.016 17849 2533 1 4 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.380 -0.652 17849 2534 1 4 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.973 -0.101 17849 2535 1 4 . 1 1 82 82 GLU H H 82 8.375 8.375 8.455 -0.080 17849 2536 1 4 . 1 1 83 83 GLN N N 83 120.069 120.069 123.750 -3.681 17849 2537 1 4 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.416 -0.111 17849 2538 1 4 . 1 1 83 83 GLN C C 83 176.054 176.054 175.720 0.334 17849 2539 1 4 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.005 0.142 17849 2540 1 4 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.230 0.073 17849 2541 1 4 . 1 1 83 83 GLN H H 83 8.233 8.233 8.619 -0.386 17849 2542 1 4 . 1 1 84 84 GLU N N 84 122.390 122.390 120.016 2.374 17849 2543 1 4 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.259 0.032 17849 2544 1 4 . 1 1 84 84 GLU C C 84 177.528 177.528 177.243 0.285 17849 2545 1 4 . 1 1 84 84 GLU CA C 84 57.198 57.198 57.520 -0.322 17849 2546 1 4 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.273 0.840 17849 2547 1 4 . 1 1 84 84 GLU H H 84 8.567 8.567 8.207 0.360 17849 2548 1 4 . 1 1 85 85 LEU N N 85 122.788 122.788 120.383 2.405 17849 2549 1 4 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.123 0.072 17849 2550 1 4 . 1 1 85 85 LEU CA C 85 56.517 56.517 58.084 -1.567 17849 2551 1 4 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.214 1.202 17849 2552 1 4 . 1 1 85 85 LEU H H 85 8.434 8.434 8.146 0.288 17849 2553 1 4 . 1 1 86 86 LEU N N 86 119.558 119.558 116.046 3.512 17849 2554 1 4 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.931 0.226 17849 2555 1 4 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.929 -1.810 17849 2556 1 4 . 1 1 86 86 LEU CB C 86 41.558 41.558 40.484 1.074 17849 2557 1 4 . 1 1 86 86 LEU H H 86 8.037 8.037 8.235 -0.198 17849 2558 1 4 . 1 1 87 87 GLU N N 87 121.323 121.323 120.067 1.256 17849 2559 1 4 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.988 -0.065 17849 2560 1 4 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.094 0.453 17849 2561 1 4 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.742 0.601 17849 2562 1 4 . 1 1 87 87 GLU H H 87 8.192 8.192 8.238 -0.046 17849 2563 1 4 . 1 1 88 88 ALA N N 88 119.942 119.942 123.178 -3.236 17849 2564 1 4 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.096 -0.020 17849 2565 1 4 . 1 1 88 88 ALA C C 88 178.281 178.281 179.561 -1.280 17849 2566 1 4 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.584 -0.103 17849 2567 1 4 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.616 0.194 17849 2568 1 4 . 1 1 88 88 ALA H H 88 8.363 8.363 7.864 0.499 17849 2569 1 4 . 1 1 89 89 PHE N N 89 111.807 111.807 115.111 -3.304 17849 2570 1 4 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.149 0.340 17849 2571 1 4 . 1 1 89 89 PHE C C 89 176.632 176.632 175.625 1.007 17849 2572 1 4 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.057 1.421 17849 2573 1 4 . 1 1 89 89 PHE CB C 89 38.642 38.642 37.916 0.726 17849 2574 1 4 . 1 1 89 89 PHE H H 89 7.855 7.855 8.210 -0.355 17849 2575 1 4 . 1 1 90 90 LYS N N 90 120.375 120.375 121.153 -0.778 17849 2576 1 4 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.235 -0.237 17849 2577 1 4 . 1 1 90 90 LYS C C 90 178.490 178.490 177.587 0.903 17849 2578 1 4 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.531 2.463 17849 2579 1 4 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.193 -0.279 17849 2580 1 4 . 1 1 90 90 LYS H H 90 7.957 7.957 7.956 0.001 17849 2581 1 4 . 1 1 91 91 VAL N N 91 116.643 116.643 119.344 -2.701 17849 2582 1 4 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.861 0.013 17849 2583 1 4 . 1 1 91 91 VAL C C 91 175.413 175.413 176.934 -1.521 17849 2584 1 4 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.005 -1.312 17849 2585 1 4 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.489 -0.255 17849 2586 1 4 . 1 1 91 91 VAL H H 91 7.389 7.389 7.586 -0.197 17849 2587 1 4 . 1 1 92 92 PHE N N 92 115.769 115.769 115.712 0.057 17849 2588 1 4 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.339 0.181 17849 2589 1 4 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.232 0.943 17849 2590 1 4 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.306 1.928 17849 2591 1 4 . 1 1 92 92 PHE H H 92 7.534 7.534 7.320 0.214 17849 2592 1 4 . 1 1 93 93 ASP N N 93 115.397 115.397 119.165 -3.768 17849 2593 1 4 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.674 0.184 17849 2594 1 4 . 1 1 93 93 ASP C C 93 177.421 177.421 177.282 0.139 17849 2595 1 4 . 1 1 93 93 ASP CA C 93 52.466 52.466 55.474 -3.007 17849 2596 1 4 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.869 -1.889 17849 2597 1 4 . 1 1 93 93 ASP H H 93 7.543 7.543 7.736 -0.193 17849 2598 1 4 . 1 1 94 94 LYS N N 94 125.591 125.591 125.383 0.208 17849 2599 1 4 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.324 -0.245 17849 2600 1 4 . 1 1 94 94 LYS C C 94 177.856 177.856 177.253 0.603 17849 2601 1 4 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.108 0.822 17849 2602 1 4 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.897 -0.503 17849 2603 1 4 . 1 1 94 94 LYS H H 94 7.873 7.873 8.438 -0.565 17849 2604 1 4 . 1 1 95 95 ASN N N 95 112.796 112.796 117.206 -4.410 17849 2605 1 4 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.761 0.036 17849 2606 1 4 . 1 1 95 95 ASN C C 95 176.619 176.619 175.529 1.090 17849 2607 1 4 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.321 -0.411 17849 2608 1 4 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.550 -0.274 17849 2609 1 4 . 1 1 95 95 ASN H H 95 8.272 8.272 7.917 0.355 17849 2610 1 4 . 1 1 96 96 GLY N N 96 109.132 109.132 108.399 0.733 17849 2611 1 4 . 1 1 96 96 GLY C C 96 174.799 174.799 174.527 0.272 17849 2612 1 4 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.505 1.066 17849 2613 1 4 . 1 1 96 96 GLY H H 96 7.654 7.654 7.915 -0.261 17849 2614 1 4 . 1 1 97 97 ASP N N 97 118.796 118.796 119.920 -1.124 17849 2615 1 4 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.654 -0.124 17849 2616 1 4 . 1 1 97 97 ASP C C 97 177.137 177.137 177.199 -0.062 17849 2617 1 4 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.312 0.080 17849 2618 1 4 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.929 -1.540 17849 2619 1 4 . 1 1 97 97 ASP H H 97 8.090 8.090 8.753 -0.663 17849 2620 1 4 . 1 1 98 98 GLY N N 98 112.962 112.962 107.971 4.991 17849 2621 1 4 . 1 1 98 98 GLY C C 98 172.142 172.142 174.291 -2.149 17849 2622 1 4 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.525 0.199 17849 2623 1 4 . 1 1 98 98 GLY H H 98 10.329 10.329 8.553 1.776 17849 2624 1 4 . 1 1 99 99 LEU N N 99 119.691 119.691 122.634 -2.943 17849 2625 1 4 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.536 0.226 17849 2626 1 4 . 1 1 99 99 LEU C C 99 176.162 176.162 175.772 0.390 17849 2627 1 4 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.385 -1.560 17849 2628 1 4 . 1 1 99 99 LEU CB C 99 44.782 44.782 43.227 1.555 17849 2629 1 4 . 1 1 99 99 LEU H H 99 8.000 8.000 8.042 -0.042 17849 2630 1 4 . 1 1 100 100 ILE N N 100 127.464 127.464 119.525 7.939 17849 2631 1 4 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.876 -0.202 17849 2632 1 4 . 1 1 100 100 ILE C C 100 175.006 175.006 174.976 0.030 17849 2633 1 4 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.876 0.544 17849 2634 1 4 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.694 -2.883 17849 2635 1 4 . 1 1 100 100 ILE H H 100 9.491 9.491 8.067 1.424 17849 2636 1 4 . 1 1 101 101 SER N N 101 123.104 123.104 120.918 2.186 17849 2637 1 4 . 1 1 101 101 SER HA H 101 4.770 4.770 4.835 -0.065 17849 2638 1 4 . 1 1 101 101 SER C C 101 174.847 174.847 175.529 -0.682 17849 2639 1 4 . 1 1 101 101 SER CA C 101 55.854 55.854 57.179 -1.325 17849 2640 1 4 . 1 1 101 101 SER CB C 101 65.994 65.994 65.065 0.929 17849 2641 1 4 . 1 1 101 101 SER H H 101 9.058 9.058 8.378 0.680 17849 2642 1 4 . 1 1 102 102 ALA N N 102 124.316 124.316 123.360 0.956 17849 2643 1 4 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.116 -0.500 17849 2644 1 4 . 1 1 102 102 ALA C C 102 179.388 179.388 179.102 0.286 17849 2645 1 4 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.913 0.811 17849 2646 1 4 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.685 -0.370 17849 2647 1 4 . 1 1 102 102 ALA H H 102 8.587 8.587 8.220 0.367 17849 2648 1 4 . 1 1 103 103 ALA N N 103 118.346 118.346 119.385 -1.039 17849 2649 1 4 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.814 0.186 17849 2650 1 4 . 1 1 103 103 ALA C C 103 181.188 181.188 179.108 2.080 17849 2651 1 4 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.220 0.838 17849 2652 1 4 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.634 0.755 17849 2653 1 4 . 1 1 103 103 ALA H H 103 8.266 8.266 8.324 -0.058 17849 2654 1 4 . 1 1 104 104 GLU N N 104 120.568 120.568 117.970 2.598 17849 2655 1 4 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.192 -0.136 17849 2656 1 4 . 1 1 104 104 GLU C C 104 178.762 178.762 178.425 0.337 17849 2657 1 4 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.310 1.658 17849 2658 1 4 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.845 -0.934 17849 2659 1 4 . 1 1 104 104 GLU H H 104 7.928 7.928 8.089 -0.161 17849 2660 1 4 . 1 1 105 105 LEU N N 105 117.903 117.903 120.463 -2.560 17849 2661 1 4 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.803 0.226 17849 2662 1 4 . 1 1 105 105 LEU C C 105 178.497 178.497 178.394 0.103 17849 2663 1 4 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.434 1.019 17849 2664 1 4 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.197 0.995 17849 2665 1 4 . 1 1 105 105 LEU H H 105 7.926 7.926 8.219 -0.293 17849 2666 1 4 . 1 1 106 106 LYS N N 106 115.836 115.836 116.451 -0.615 17849 2667 1 4 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.250 -0.451 17849 2668 1 4 . 1 1 106 106 LYS C C 106 179.102 179.102 177.437 1.665 17849 2669 1 4 . 1 1 106 106 LYS CA C 106 60.172 60.172 57.699 2.473 17849 2670 1 4 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.686 -0.076 17849 2671 1 4 . 1 1 106 106 LYS H H 106 8.337 8.337 7.745 0.592 17849 2672 1 4 . 1 1 107 107 HIS N N 107 119.620 119.620 117.231 2.389 17849 2673 1 4 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.511 -0.257 17849 2674 1 4 . 1 1 107 107 HIS C C 107 178.167 178.167 177.305 0.862 17849 2675 1 4 . 1 1 107 107 HIS CA C 107 59.928 59.928 57.470 2.458 17849 2676 1 4 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.917 -0.333 17849 2677 1 4 . 1 1 107 107 HIS H H 107 8.502 8.502 7.926 0.576 17849 2678 1 4 . 1 1 108 108 VAL N N 108 118.595 118.595 118.290 0.305 17849 2679 1 4 . 1 1 108 108 VAL HA H 108 3.656 3.656 4.016 -0.360 17849 2680 1 4 . 1 1 108 108 VAL C C 108 178.608 178.608 176.735 1.873 17849 2681 1 4 . 1 1 108 108 VAL CA C 108 66.356 66.356 63.724 2.632 17849 2682 1 4 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.790 1.525 17849 2683 1 4 . 1 1 108 108 VAL H H 108 8.348 8.348 8.058 0.290 17849 2684 1 4 . 1 1 109 109 LEU N N 109 116.755 116.755 117.079 -0.324 17849 2685 1 4 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.995 0.149 17849 2686 1 4 . 1 1 109 109 LEU C C 109 179.267 179.267 178.007 1.260 17849 2687 1 4 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.336 0.118 17849 2688 1 4 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.430 0.673 17849 2689 1 4 . 1 1 109 109 LEU H H 109 8.251 8.251 7.697 0.554 17849 2690 1 4 . 1 1 110 110 THR N N 110 111.046 111.046 110.083 0.963 17849 2691 1 4 . 1 1 110 110 THR HA H 110 4.256 4.256 4.445 -0.189 17849 2692 1 4 . 1 1 110 110 THR C C 110 175.897 175.897 175.343 0.554 17849 2693 1 4 . 1 1 110 110 THR CA C 110 64.465 64.465 62.634 1.831 17849 2694 1 4 . 1 1 110 110 THR CB C 110 69.431 69.431 69.728 -0.297 17849 2695 1 4 . 1 1 110 110 THR H H 110 8.085 8.085 7.328 0.757 17849 2696 1 4 . 1 1 111 111 SER N N 111 117.074 117.074 116.631 0.443 17849 2697 1 4 . 1 1 111 111 SER HA H 111 4.406 4.406 4.350 0.056 17849 2698 1 4 . 1 1 111 111 SER C C 111 175.051 175.051 174.892 0.159 17849 2699 1 4 . 1 1 111 111 SER CA C 111 59.968 59.968 59.621 0.347 17849 2700 1 4 . 1 1 111 111 SER CB C 111 63.391 63.391 63.504 -0.113 17849 2701 1 4 . 1 1 111 111 SER H H 111 7.681 7.681 7.545 0.136 17849 2702 1 4 . 1 1 112 112 ILE N N 112 119.783 119.783 121.910 -2.127 17849 2703 1 4 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.792 0.299 17849 2704 1 4 . 1 1 112 112 ILE C C 112 177.040 177.040 176.176 0.864 17849 2705 1 4 . 1 1 112 112 ILE CA C 112 62.524 62.524 62.855 -0.331 17849 2706 1 4 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.050 0.294 17849 2707 1 4 . 1 1 112 112 ILE H H 112 7.444 7.444 7.377 0.067 17849 2708 1 4 . 1 1 113 113 GLY N N 113 110.432 110.432 114.951 -4.519 17849 2709 1 4 . 1 1 113 113 GLY C C 113 174.442 174.442 173.305 1.137 17849 2710 1 4 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.815 0.828 17849 2711 1 4 . 1 1 113 113 GLY H H 113 8.148 8.148 7.998 0.150 17849 2712 1 4 . 1 1 114 114 GLU N N 114 120.374 120.374 120.266 0.108 17849 2713 1 4 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.443 -0.177 17849 2714 1 4 . 1 1 114 114 GLU C C 114 176.556 176.556 176.502 0.054 17849 2715 1 4 . 1 1 114 114 GLU CA C 114 56.773 56.773 55.715 1.058 17849 2716 1 4 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.763 -0.473 17849 2717 1 4 . 1 1 114 114 GLU H H 114 8.092 8.092 8.119 -0.027 17849 2718 1 4 . 1 1 115 115 LYS N N 115 121.383 121.383 121.962 -0.579 17849 2719 1 4 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.150 0.185 17849 2720 1 4 . 1 1 115 115 LYS C C 115 176.654 176.654 176.109 0.545 17849 2721 1 4 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.928 -0.629 17849 2722 1 4 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.405 0.434 17849 2723 1 4 . 1 1 115 115 LYS H H 115 8.221 8.221 8.303 -0.082 17849 2724 1 4 . 1 1 116 116 LEU N N 116 123.146 123.146 121.451 1.695 17849 2725 1 4 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.995 -0.574 17849 2726 1 4 . 1 1 116 116 LEU C C 116 177.677 177.677 176.505 1.172 17849 2727 1 4 . 1 1 116 116 LEU CA C 116 55.320 55.320 53.724 1.596 17849 2728 1 4 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.577 -1.268 17849 2729 1 4 . 1 1 116 116 LEU H H 116 8.265 8.265 8.014 0.251 17849 2730 1 4 . 1 1 117 117 THR N N 117 113.859 113.859 112.378 1.481 17849 2731 1 4 . 1 1 117 117 THR HA H 117 4.337 4.337 4.492 -0.155 17849 2732 1 4 . 1 1 117 117 THR C C 117 174.535 174.535 174.831 -0.296 17849 2733 1 4 . 1 1 117 117 THR CA C 117 61.824 61.824 60.850 0.974 17849 2734 1 4 . 1 1 117 117 THR CB C 117 70.096 70.096 70.085 0.011 17849 2735 1 4 . 1 1 117 117 THR H H 117 8.182 8.182 8.028 0.154 17849 2736 1 4 . 1 1 118 118 ASP N N 118 122.049 122.049 118.293 3.756 17849 2737 1 4 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.682 -0.149 17849 2738 1 4 . 1 1 118 118 ASP C C 118 176.728 176.728 176.445 0.283 17849 2739 1 4 . 1 1 118 118 ASP CA C 118 55.218 55.218 54.668 0.550 17849 2740 1 4 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.613 0.239 17849 2741 1 4 . 1 1 118 118 ASP H H 118 8.367 8.367 8.544 -0.177 17849 2742 1 4 . 1 1 119 119 ALA N N 119 123.432 123.432 120.638 2.794 17849 2743 1 4 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.346 -0.127 17849 2744 1 4 . 1 1 119 119 ALA C C 119 178.486 178.486 178.789 -0.303 17849 2745 1 4 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.681 0.752 17849 2746 1 4 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.323 0.752 17849 2747 1 4 . 1 1 119 119 ALA H H 119 8.206 8.206 8.078 0.128 17849 2748 1 4 . 1 1 120 120 GLU N N 120 118.592 118.592 120.165 -1.573 17849 2749 1 4 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.038 0.144 17849 2750 1 4 . 1 1 120 120 GLU C C 120 177.133 177.133 177.233 -0.100 17849 2751 1 4 . 1 1 120 120 GLU CA C 120 57.105 57.105 59.573 -2.468 17849 2752 1 4 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.734 0.318 17849 2753 1 4 . 1 1 120 120 GLU H H 120 8.187 8.187 8.338 -0.151 17849 2754 1 4 . 1 1 121 121 LEU N N 121 121.427 121.427 113.134 8.293 17849 2755 1 4 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.585 -0.381 17849 2756 1 4 . 1 1 121 121 LEU C C 121 177.710 177.710 178.653 -0.943 17849 2757 1 4 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.981 -0.229 17849 2758 1 4 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.238 0.020 17849 2759 1 4 . 1 1 121 121 LEU H H 121 8.020 8.020 7.784 0.236 17849 2760 1 4 . 1 1 122 122 GLU N N 122 119.850 119.850 118.359 1.491 17849 2761 1 4 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.884 0.243 17849 2762 1 4 . 1 1 122 122 GLU C C 122 176.518 176.518 176.122 0.396 17849 2763 1 4 . 1 1 122 122 GLU CA C 122 57.014 57.014 58.220 -1.206 17849 2764 1 4 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.895 0.161 17849 2765 1 4 . 1 1 122 122 GLU H H 122 8.118 8.118 8.279 -0.161 17849 2766 1 4 . 1 1 123 123 HIS N N 123 118.817 118.817 113.838 4.979 17849 2767 1 4 . 1 1 123 123 HIS CA C 123 56.259 56.259 54.894 1.365 17849 2768 1 4 . 1 1 123 123 HIS H H 123 8.106 8.106 7.466 0.640 17849 2769 1 5 . 1 1 2 2 SER HA H 2 4.507 4.507 4.592 -0.085 17849 2770 1 5 . 1 1 2 2 SER CA C 2 58.342 58.342 57.533 0.809 17849 2771 1 5 . 1 1 2 2 SER CB C 2 63.883 63.883 62.378 1.505 17849 2772 1 5 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.790 -0.026 17849 2773 1 5 . 1 1 3 3 ASN C C 3 174.784 174.784 174.251 0.533 17849 2774 1 5 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.552 0.573 17849 2775 1 5 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.145 -0.252 17849 2776 1 5 . 1 1 4 4 LEU N N 4 121.466 121.466 124.834 -3.368 17849 2777 1 5 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.629 0.071 17849 2778 1 5 . 1 1 4 4 LEU C C 4 177.665 177.665 176.741 0.924 17849 2779 1 5 . 1 1 4 4 LEU CA C 4 54.512 54.512 54.475 0.037 17849 2780 1 5 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.574 1.065 17849 2781 1 5 . 1 1 4 4 LEU H H 4 8.097 8.097 8.434 -0.337 17849 2782 1 5 . 1 1 5 5 THR N N 5 112.990 112.990 114.168 -1.178 17849 2783 1 5 . 1 1 5 5 THR HA H 5 4.481 4.481 4.730 -0.249 17849 2784 1 5 . 1 1 5 5 THR C C 5 175.474 175.474 174.955 0.519 17849 2785 1 5 . 1 1 5 5 THR CA C 5 60.528 60.528 59.564 0.964 17849 2786 1 5 . 1 1 5 5 THR CB C 5 71.244 71.244 71.555 -0.311 17849 2787 1 5 . 1 1 5 5 THR H H 5 8.778 8.778 8.033 0.745 17849 2788 1 5 . 1 1 6 6 GLU N N 6 120.343 120.343 120.536 -0.193 17849 2789 1 5 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.910 0.092 17849 2790 1 5 . 1 1 6 6 GLU C C 6 179.568 179.568 178.625 0.943 17849 2791 1 5 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.650 0.526 17849 2792 1 5 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.235 -0.010 17849 2793 1 5 . 1 1 6 6 GLU H H 6 9.078 9.078 9.014 0.064 17849 2794 1 5 . 1 1 7 7 GLU N N 7 119.544 119.544 119.509 0.035 17849 2795 1 5 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.110 0.001 17849 2796 1 5 . 1 1 7 7 GLU C C 7 179.170 179.170 179.637 -0.467 17849 2797 1 5 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.715 1.321 17849 2798 1 5 . 1 1 7 7 GLU CB C 7 29.117 29.117 28.873 0.244 17849 2799 1 5 . 1 1 7 7 GLU H H 7 8.820 8.820 7.785 1.035 17849 2800 1 5 . 1 1 8 8 GLN N N 8 119.824 119.824 119.452 0.372 17849 2801 1 5 . 1 1 8 8 GLN HA H 8 4.164 4.164 4.150 0.014 17849 2802 1 5 . 1 1 8 8 GLN C C 8 179.652 179.652 178.891 0.761 17849 2803 1 5 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.638 0.114 17849 2804 1 5 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.872 0.867 17849 2805 1 5 . 1 1 8 8 GLN H H 8 7.812 7.812 7.642 0.170 17849 2806 1 5 . 1 1 9 9 ILE N N 9 120.978 120.978 119.229 1.749 17849 2807 1 5 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.674 0.178 17849 2808 1 5 . 1 1 9 9 ILE C C 9 177.899 177.899 177.946 -0.047 17849 2809 1 5 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.447 1.129 17849 2810 1 5 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.219 0.770 17849 2811 1 5 . 1 1 9 9 ILE H H 9 8.634 8.634 8.778 -0.144 17849 2812 1 5 . 1 1 10 10 ALA N N 10 121.528 121.528 122.108 -0.580 17849 2813 1 5 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.034 0.072 17849 2814 1 5 . 1 1 10 10 ALA C C 10 180.886 180.886 179.868 1.018 17849 2815 1 5 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.393 0.025 17849 2816 1 5 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.897 -0.122 17849 2817 1 5 . 1 1 10 10 ALA H H 10 8.142 8.142 7.936 0.206 17849 2818 1 5 . 1 1 11 11 GLU N N 11 118.807 118.807 118.974 -0.167 17849 2819 1 5 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.043 0.171 17849 2820 1 5 . 1 1 11 11 GLU C C 11 180.292 180.292 179.349 0.943 17849 2821 1 5 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.010 0.354 17849 2822 1 5 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.489 0.299 17849 2823 1 5 . 1 1 11 11 GLU H H 11 7.810 7.810 8.381 -0.571 17849 2824 1 5 . 1 1 12 12 PHE N N 12 118.671 118.671 119.914 -1.243 17849 2825 1 5 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.267 0.380 17849 2826 1 5 . 1 1 12 12 PHE C C 12 179.032 179.032 178.350 0.682 17849 2827 1 5 . 1 1 12 12 PHE CA C 12 63.160 63.160 62.474 0.686 17849 2828 1 5 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.745 0.270 17849 2829 1 5 . 1 1 12 12 PHE H H 12 8.432 8.432 8.030 0.402 17849 2830 1 5 . 1 1 13 13 LYS N N 13 123.536 123.536 118.387 5.149 17849 2831 1 5 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.063 -0.223 17849 2832 1 5 . 1 1 13 13 LYS C C 13 179.114 179.114 179.382 -0.268 17849 2833 1 5 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.831 0.257 17849 2834 1 5 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.175 -0.523 17849 2835 1 5 . 1 1 13 13 LYS H H 13 8.981 8.981 8.940 0.041 17849 2836 1 5 . 1 1 14 14 GLU N N 14 119.691 119.691 119.530 0.161 17849 2837 1 5 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.340 -0.243 17849 2838 1 5 . 1 1 14 14 GLU C C 14 179.285 179.285 178.490 0.795 17849 2839 1 5 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.564 0.681 17849 2840 1 5 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.849 -0.208 17849 2841 1 5 . 1 1 14 14 GLU H H 14 7.737 7.737 8.262 -0.525 17849 2842 1 5 . 1 1 15 15 ALA N N 15 120.127 120.127 123.111 -2.984 17849 2843 1 5 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.139 0.028 17849 2844 1 5 . 1 1 15 15 ALA C C 15 178.607 178.607 179.429 -0.822 17849 2845 1 5 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.134 -0.075 17849 2846 1 5 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.436 0.695 17849 2847 1 5 . 1 1 15 15 ALA H H 15 7.747 7.747 8.302 -0.555 17849 2848 1 5 . 1 1 16 16 PHE N N 16 119.058 119.058 117.621 1.437 17849 2849 1 5 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.981 -0.674 17849 2850 1 5 . 1 1 16 16 PHE C C 16 177.236 177.236 176.648 0.588 17849 2851 1 5 . 1 1 16 16 PHE CA C 16 61.705 61.705 59.950 1.755 17849 2852 1 5 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.338 0.414 17849 2853 1 5 . 1 1 16 16 PHE H H 16 8.908 8.908 8.690 0.218 17849 2854 1 5 . 1 1 17 17 ALA N N 17 119.352 119.352 123.226 -3.874 17849 2855 1 5 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.152 -0.029 17849 2856 1 5 . 1 1 17 17 ALA C C 17 178.680 178.680 178.806 -0.126 17849 2857 1 5 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.837 -0.298 17849 2858 1 5 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.410 -0.195 17849 2859 1 5 . 1 1 17 17 ALA H H 17 7.877 7.877 7.600 0.277 17849 2860 1 5 . 1 1 18 18 LEU N N 18 115.281 115.281 117.362 -2.081 17849 2861 1 5 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.059 -0.004 17849 2862 1 5 . 1 1 18 18 LEU C C 18 178.393 178.393 178.483 -0.090 17849 2863 1 5 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.452 -0.810 17849 2864 1 5 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.131 0.612 17849 2865 1 5 . 1 1 18 18 LEU H H 18 7.369 7.369 8.422 -1.053 17849 2866 1 5 . 1 1 19 19 PHE N N 19 115.719 115.719 114.617 1.102 17849 2867 1 5 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.383 -0.174 17849 2868 1 5 . 1 1 19 19 PHE C C 19 176.704 176.704 176.177 0.527 17849 2869 1 5 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.953 -0.720 17849 2870 1 5 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.970 1.700 17849 2871 1 5 . 1 1 19 19 PHE H H 19 7.468 7.468 7.968 -0.500 17849 2872 1 5 . 1 1 20 20 ASP N N 20 117.209 117.209 119.110 -1.901 17849 2873 1 5 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.550 -0.089 17849 2874 1 5 . 1 1 20 20 ASP C C 20 176.557 176.557 176.288 0.269 17849 2875 1 5 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.817 -3.572 17849 2876 1 5 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.056 -2.909 17849 2877 1 5 . 1 1 20 20 ASP H H 20 7.488 7.488 8.171 -0.683 17849 2878 1 5 . 1 1 21 21 LYS N N 21 124.086 124.086 125.772 -1.686 17849 2879 1 5 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.224 -0.226 17849 2880 1 5 . 1 1 21 21 LYS C C 21 177.844 177.844 177.714 0.130 17849 2881 1 5 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.017 0.291 17849 2882 1 5 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.962 -0.510 17849 2883 1 5 . 1 1 21 21 LYS H H 21 7.376 7.376 8.593 -1.217 17849 2884 1 5 . 1 1 22 22 ASP N N 22 114.097 114.097 114.999 -0.902 17849 2885 1 5 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.599 0.005 17849 2886 1 5 . 1 1 22 22 ASP C C 22 176.349 176.349 176.140 0.209 17849 2887 1 5 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.801 -1.098 17849 2888 1 5 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.709 -1.354 17849 2889 1 5 . 1 1 22 22 ASP H H 22 8.113 8.113 8.214 -0.101 17849 2890 1 5 . 1 1 23 23 ASN N N 23 115.562 115.562 117.440 -1.878 17849 2891 1 5 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.487 -0.092 17849 2892 1 5 . 1 1 23 23 ASN C C 23 174.864 174.864 174.816 0.048 17849 2893 1 5 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.102 0.298 17849 2894 1 5 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.661 1.263 17849 2895 1 5 . 1 1 23 23 ASN H H 23 8.048 8.048 8.685 -0.637 17849 2896 1 5 . 1 1 24 24 ASN N N 24 117.615 117.615 117.257 0.358 17849 2897 1 5 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.719 0.116 17849 2898 1 5 . 1 1 24 24 ASN C C 24 177.445 177.445 176.441 1.004 17849 2899 1 5 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.379 -0.964 17849 2900 1 5 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.254 -0.773 17849 2901 1 5 . 1 1 24 24 ASN H H 24 8.517 8.517 9.014 -0.497 17849 2902 1 5 . 1 1 25 25 GLY N N 25 114.308 114.308 107.475 6.833 17849 2903 1 5 . 1 1 25 25 GLY C C 25 173.105 173.105 173.440 -0.335 17849 2904 1 5 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.787 0.693 17849 2905 1 5 . 1 1 25 25 GLY H H 25 10.729 10.729 8.846 1.883 17849 2906 1 5 . 1 1 26 26 SER N N 26 113.267 113.267 117.148 -3.881 17849 2907 1 5 . 1 1 26 26 SER HA H 26 5.330 5.330 5.524 -0.194 17849 2908 1 5 . 1 1 26 26 SER C C 26 172.610 172.610 173.952 -1.342 17849 2909 1 5 . 1 1 26 26 SER CA C 26 57.375 57.375 57.382 -0.007 17849 2910 1 5 . 1 1 26 26 SER CB C 26 66.504 66.504 65.266 1.238 17849 2911 1 5 . 1 1 26 26 SER H H 26 7.773 7.773 7.576 0.197 17849 2912 1 5 . 1 1 27 27 ILE N N 27 127.124 127.124 126.656 0.468 17849 2913 1 5 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.396 0.492 17849 2914 1 5 . 1 1 27 27 ILE C C 27 175.876 175.876 175.287 0.589 17849 2915 1 5 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.564 -0.528 17849 2916 1 5 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.906 -2.010 17849 2917 1 5 . 1 1 27 27 ILE H H 27 9.848 9.848 8.103 1.745 17849 2918 1 5 . 1 1 28 28 SER N N 28 124.825 124.825 118.828 5.997 17849 2919 1 5 . 1 1 28 28 SER HA H 28 4.771 4.771 5.215 -0.444 17849 2920 1 5 . 1 1 28 28 SER C C 28 175.395 175.395 175.912 -0.517 17849 2921 1 5 . 1 1 28 28 SER CA C 28 56.680 56.680 54.903 1.777 17849 2922 1 5 . 1 1 28 28 SER CB C 28 66.154 66.154 64.909 1.245 17849 2923 1 5 . 1 1 28 28 SER H H 28 9.347 9.347 8.431 0.916 17849 2924 1 5 . 1 1 29 29 SER N N 29 116.882 116.882 121.618 -4.736 17849 2925 1 5 . 1 1 29 29 SER HA H 29 4.144 4.144 4.170 -0.026 17849 2926 1 5 . 1 1 29 29 SER C C 29 176.516 176.516 176.372 0.144 17849 2927 1 5 . 1 1 29 29 SER CA C 29 62.634 62.634 61.988 0.646 17849 2928 1 5 . 1 1 29 29 SER CB C 29 62.227 62.227 62.956 -0.730 17849 2929 1 5 . 1 1 29 29 SER H H 29 9.604 9.604 9.268 0.336 17849 2930 1 5 . 1 1 30 30 SER N N 30 116.141 116.141 117.918 -1.777 17849 2931 1 5 . 1 1 30 30 SER HA H 30 4.327 4.327 4.092 0.235 17849 2932 1 5 . 1 1 30 30 SER C C 30 177.965 177.965 176.258 1.707 17849 2933 1 5 . 1 1 30 30 SER CA C 30 61.341 61.341 61.752 -0.411 17849 2934 1 5 . 1 1 30 30 SER CB C 30 62.429 62.429 63.140 -0.711 17849 2935 1 5 . 1 1 30 30 SER H H 30 8.184 8.184 7.714 0.470 17849 2936 1 5 . 1 1 31 31 GLU N N 31 124.933 124.933 121.218 3.715 17849 2937 1 5 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.054 0.037 17849 2938 1 5 . 1 1 31 31 GLU C C 31 179.355 179.355 178.819 0.536 17849 2939 1 5 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.062 0.380 17849 2940 1 5 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.516 -0.181 17849 2941 1 5 . 1 1 31 31 GLU H H 31 7.973 7.973 8.233 -0.260 17849 2942 1 5 . 1 1 32 32 LEU N N 32 120.778 120.778 120.741 0.037 17849 2943 1 5 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.212 -0.045 17849 2944 1 5 . 1 1 32 32 LEU C C 32 178.364 178.364 178.213 0.151 17849 2945 1 5 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.530 0.817 17849 2946 1 5 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.598 0.513 17849 2947 1 5 . 1 1 32 32 LEU H H 32 8.616 8.616 8.315 0.301 17849 2948 1 5 . 1 1 33 33 ALA N N 33 120.423 120.423 120.634 -0.211 17849 2949 1 5 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.925 -0.049 17849 2950 1 5 . 1 1 33 33 ALA C C 33 179.394 179.394 179.586 -0.192 17849 2951 1 5 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.328 0.460 17849 2952 1 5 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.012 0.506 17849 2953 1 5 . 1 1 33 33 ALA H H 33 8.688 8.688 8.411 0.277 17849 2954 1 5 . 1 1 34 34 THR N N 34 114.299 114.299 114.598 -0.299 17849 2955 1 5 . 1 1 34 34 THR HA H 34 3.902 3.902 4.019 -0.117 17849 2956 1 5 . 1 1 34 34 THR C C 34 177.161 177.161 176.502 0.659 17849 2957 1 5 . 1 1 34 34 THR CA C 34 67.173 67.173 67.405 -0.232 17849 2958 1 5 . 1 1 34 34 THR CB C 34 68.712 68.712 68.779 -0.067 17849 2959 1 5 . 1 1 34 34 THR H H 34 8.219 8.219 8.063 0.156 17849 2960 1 5 . 1 1 35 35 VAL N N 35 122.638 122.638 121.445 1.193 17849 2961 1 5 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.610 -0.026 17849 2962 1 5 . 1 1 35 35 VAL C C 35 178.403 178.403 177.020 1.383 17849 2963 1 5 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.502 0.382 17849 2964 1 5 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.513 -0.152 17849 2965 1 5 . 1 1 35 35 VAL H H 35 7.791 7.791 8.198 -0.407 17849 2966 1 5 . 1 1 36 36 MET N N 36 117.307 117.307 118.961 -1.654 17849 2967 1 5 . 1 1 36 36 MET HA H 36 3.906 3.906 4.125 -0.219 17849 2968 1 5 . 1 1 36 36 MET C C 36 178.456 178.456 178.309 0.147 17849 2969 1 5 . 1 1 36 36 MET CA C 36 59.787 59.787 57.298 2.489 17849 2970 1 5 . 1 1 36 36 MET CB C 36 32.548 32.548 31.011 1.537 17849 2971 1 5 . 1 1 36 36 MET H H 36 8.308 8.308 8.060 0.248 17849 2972 1 5 . 1 1 37 37 ARG N N 37 118.384 118.384 118.167 0.217 17849 2973 1 5 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.143 0.614 17849 2974 1 5 . 1 1 37 37 ARG C C 37 181.371 181.371 178.682 2.689 17849 2975 1 5 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.910 -0.023 17849 2976 1 5 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.356 0.742 17849 2977 1 5 . 1 1 37 37 ARG H H 37 8.634 8.634 8.298 0.336 17849 2978 1 5 . 1 1 38 38 SER N N 38 118.916 118.916 114.120 4.796 17849 2979 1 5 . 1 1 38 38 SER HA H 38 4.339 4.339 4.246 0.093 17849 2980 1 5 . 1 1 38 38 SER C C 38 174.705 174.705 176.404 -1.699 17849 2981 1 5 . 1 1 38 38 SER CA C 38 61.793 61.793 60.299 1.494 17849 2982 1 5 . 1 1 38 38 SER CB C 38 62.713 62.713 63.095 -0.382 17849 2983 1 5 . 1 1 38 38 SER H H 38 8.226 8.226 7.270 0.956 17849 2984 1 5 . 1 1 39 39 LEU N N 39 119.948 119.948 120.636 -0.688 17849 2985 1 5 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.894 0.402 17849 2986 1 5 . 1 1 39 39 LEU C C 39 176.723 176.723 178.211 -1.488 17849 2987 1 5 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.932 -3.372 17849 2988 1 5 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.395 -0.406 17849 2989 1 5 . 1 1 39 39 LEU H H 39 7.331 7.331 7.768 -0.437 17849 2990 1 5 . 1 1 40 40 GLY N N 40 105.997 105.997 103.061 2.936 17849 2991 1 5 . 1 1 40 40 GLY C C 40 174.405 174.405 173.575 0.830 17849 2992 1 5 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.094 0.094 17849 2993 1 5 . 1 1 40 40 GLY H H 40 7.889 7.889 8.040 -0.151 17849 2994 1 5 . 1 1 41 41 LEU N N 41 120.071 120.071 118.133 1.938 17849 2995 1 5 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.886 -0.400 17849 2996 1 5 . 1 1 41 41 LEU C C 41 175.829 175.829 174.792 1.037 17849 2997 1 5 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.452 0.735 17849 2998 1 5 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.618 -1.045 17849 2999 1 5 . 1 1 41 41 LEU H H 41 7.592 7.592 7.390 0.202 17849 3000 1 5 . 1 1 42 42 SER N N 42 112.869 112.869 115.637 -2.768 17849 3001 1 5 . 1 1 42 42 SER HA H 42 4.797 4.797 4.805 -0.008 17849 3002 1 5 . 1 1 42 42 SER CA C 42 54.960 54.960 55.110 -0.150 17849 3003 1 5 . 1 1 42 42 SER CB C 42 63.177 63.177 64.153 -0.975 17849 3004 1 5 . 1 1 42 42 SER H H 42 8.761 8.761 8.391 0.370 17849 3005 1 5 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.574 0.134 17849 3006 1 5 . 1 1 43 43 PRO C C 43 177.533 177.533 176.229 1.304 17849 3007 1 5 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.468 -0.293 17849 3008 1 5 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.212 -0.338 17849 3009 1 5 . 1 1 44 44 SER N N 44 119.089 119.089 117.954 1.135 17849 3010 1 5 . 1 1 44 44 SER HA H 44 4.574 4.574 4.456 0.118 17849 3011 1 5 . 1 1 44 44 SER C C 44 174.803 174.803 175.934 -1.131 17849 3012 1 5 . 1 1 44 44 SER CA C 44 56.786 56.786 58.059 -1.273 17849 3013 1 5 . 1 1 44 44 SER CB C 44 65.387 65.387 64.324 1.063 17849 3014 1 5 . 1 1 44 44 SER H H 44 9.014 9.014 8.303 0.711 17849 3015 1 5 . 1 1 45 45 GLU N N 45 121.343 121.343 125.919 -4.576 17849 3016 1 5 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.835 0.109 17849 3017 1 5 . 1 1 45 45 GLU C C 45 178.978 178.978 178.370 0.608 17849 3018 1 5 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.493 -0.387 17849 3019 1 5 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.759 -0.456 17849 3020 1 5 . 1 1 45 45 GLU H H 45 8.925 8.925 9.013 -0.088 17849 3021 1 5 . 1 1 46 46 ALA N N 46 120.822 120.822 120.253 0.569 17849 3022 1 5 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.131 0.015 17849 3023 1 5 . 1 1 46 46 ALA C C 46 179.782 179.782 179.851 -0.069 17849 3024 1 5 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.726 0.360 17849 3025 1 5 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.982 0.275 17849 3026 1 5 . 1 1 46 46 ALA H H 46 8.339 8.339 8.269 0.070 17849 3027 1 5 . 1 1 47 47 GLU N N 47 118.432 118.432 118.417 0.015 17849 3028 1 5 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.132 -0.058 17849 3029 1 5 . 1 1 47 47 GLU C C 47 180.222 180.222 178.595 1.627 17849 3030 1 5 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.040 0.169 17849 3031 1 5 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.396 0.489 17849 3032 1 5 . 1 1 47 47 GLU H H 47 7.759 7.759 7.543 0.216 17849 3033 1 5 . 1 1 48 48 VAL N N 48 120.023 120.023 120.227 -0.204 17849 3034 1 5 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.668 -0.170 17849 3035 1 5 . 1 1 48 48 VAL C C 48 177.380 177.380 177.624 -0.244 17849 3036 1 5 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.300 0.958 17849 3037 1 5 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.511 -0.150 17849 3038 1 5 . 1 1 48 48 VAL H H 48 8.174 8.174 8.407 -0.233 17849 3039 1 5 . 1 1 49 49 ASN N N 49 118.475 118.475 117.700 0.775 17849 3040 1 5 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.339 0.066 17849 3041 1 5 . 1 1 49 49 ASN C C 49 177.352 177.352 176.296 1.056 17849 3042 1 5 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.831 -0.121 17849 3043 1 5 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.297 -0.027 17849 3044 1 5 . 1 1 49 49 ASN H H 49 8.208 8.208 8.459 -0.251 17849 3045 1 5 . 1 1 50 50 ASP N N 50 120.147 120.147 120.070 0.077 17849 3046 1 5 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.514 -0.032 17849 3047 1 5 . 1 1 50 50 ASP C C 50 178.973 178.973 179.050 -0.077 17849 3048 1 5 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.514 0.926 17849 3049 1 5 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.024 -0.844 17849 3050 1 5 . 1 1 50 50 ASP H H 50 8.400 8.400 7.435 0.965 17849 3051 1 5 . 1 1 51 51 LEU N N 51 121.706 121.706 120.200 1.506 17849 3052 1 5 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.262 -0.154 17849 3053 1 5 . 1 1 51 51 LEU C C 51 178.796 178.796 179.093 -0.297 17849 3054 1 5 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.258 0.874 17849 3055 1 5 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.690 0.200 17849 3056 1 5 . 1 1 51 51 LEU H H 51 7.830 7.830 7.550 0.280 17849 3057 1 5 . 1 1 52 52 MET N N 52 117.267 117.267 115.456 1.811 17849 3058 1 5 . 1 1 52 52 MET HA H 52 4.145 4.145 4.453 -0.308 17849 3059 1 5 . 1 1 52 52 MET C C 52 178.260 178.260 177.774 0.486 17849 3060 1 5 . 1 1 52 52 MET CA C 52 57.418 57.418 56.156 1.262 17849 3061 1 5 . 1 1 52 52 MET CB C 52 30.089 30.089 31.577 -1.488 17849 3062 1 5 . 1 1 52 52 MET H H 52 8.601 8.601 8.642 -0.041 17849 3063 1 5 . 1 1 53 53 ASN N N 53 115.368 115.368 118.797 -3.429 17849 3064 1 5 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.532 0.041 17849 3065 1 5 . 1 1 53 53 ASN C C 53 176.890 176.890 176.263 0.627 17849 3066 1 5 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.279 -0.947 17849 3067 1 5 . 1 1 53 53 ASN CB C 53 38.154 38.154 39.252 -1.098 17849 3068 1 5 . 1 1 53 53 ASN H H 53 8.239 8.239 8.319 -0.080 17849 3069 1 5 . 1 1 54 54 GLU N N 54 117.437 117.437 117.376 0.061 17849 3070 1 5 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.163 0.087 17849 3071 1 5 . 1 1 54 54 GLU C C 54 177.019 177.019 178.320 -1.301 17849 3072 1 5 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.709 -1.022 17849 3073 1 5 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.729 0.364 17849 3074 1 5 . 1 1 54 54 GLU H H 54 7.625 7.625 7.565 0.060 17849 3075 1 5 . 1 1 55 55 ILE N N 55 117.098 117.098 118.498 -1.400 17849 3076 1 5 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.914 -0.013 17849 3077 1 5 . 1 1 55 55 ILE C C 55 176.027 176.027 175.628 0.399 17849 3078 1 5 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.912 -0.275 17849 3079 1 5 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.322 1.714 17849 3080 1 5 . 1 1 55 55 ILE H H 55 7.496 7.496 7.328 0.168 17849 3081 1 5 . 1 1 56 56 ASP N N 56 118.367 118.367 120.152 -1.785 17849 3082 1 5 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.760 -0.343 17849 3083 1 5 . 1 1 56 56 ASP C C 56 175.761 175.761 176.171 -0.410 17849 3084 1 5 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.956 -0.549 17849 3085 1 5 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.267 -0.034 17849 3086 1 5 . 1 1 56 56 ASP H H 56 8.329 8.329 7.640 0.689 17849 3087 1 5 . 1 1 57 57 VAL N N 57 126.262 126.262 123.470 2.792 17849 3088 1 5 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.959 0.047 17849 3089 1 5 . 1 1 57 57 VAL C C 57 177.253 177.253 176.607 0.646 17849 3090 1 5 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.080 0.145 17849 3091 1 5 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.505 0.681 17849 3092 1 5 . 1 1 57 57 VAL H H 57 8.116 8.116 8.481 -0.365 17849 3093 1 5 . 1 1 58 58 ASP N N 58 116.896 116.896 118.387 -1.491 17849 3094 1 5 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.627 -0.055 17849 3095 1 5 . 1 1 58 58 ASP C C 58 177.670 177.670 176.821 0.849 17849 3096 1 5 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.821 -0.016 17849 3097 1 5 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.270 -1.278 17849 3098 1 5 . 1 1 58 58 ASP H H 58 8.356 8.356 8.182 0.174 17849 3099 1 5 . 1 1 59 59 GLY N N 59 107.989 107.989 108.614 -0.625 17849 3100 1 5 . 1 1 59 59 GLY C C 59 174.661 174.661 175.094 -0.433 17849 3101 1 5 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.404 1.675 17849 3102 1 5 . 1 1 59 59 GLY H H 59 7.622 7.622 8.237 -0.615 17849 3103 1 5 . 1 1 60 60 ASN N N 60 118.703 118.703 118.110 0.593 17849 3104 1 5 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.343 0.199 17849 3105 1 5 . 1 1 60 60 ASN C C 60 175.787 175.787 174.588 1.199 17849 3106 1 5 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.520 -0.237 17849 3107 1 5 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.720 -1.536 17849 3108 1 5 . 1 1 60 60 ASN H H 60 8.096 8.096 8.458 -0.362 17849 3109 1 5 . 1 1 61 61 HIS N N 61 117.475 117.475 113.212 4.263 17849 3110 1 5 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.386 -0.518 17849 3111 1 5 . 1 1 61 61 HIS C C 61 172.407 172.407 173.358 -0.951 17849 3112 1 5 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.730 -0.302 17849 3113 1 5 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.918 0.055 17849 3114 1 5 . 1 1 61 61 HIS H H 61 9.998 9.998 7.890 2.108 17849 3115 1 5 . 1 1 62 62 GLN N N 62 112.629 112.629 116.119 -3.490 17849 3116 1 5 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.460 -0.651 17849 3117 1 5 . 1 1 62 62 GLN C C 62 174.654 174.654 174.792 -0.138 17849 3118 1 5 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.320 -0.512 17849 3119 1 5 . 1 1 62 62 GLN CB C 62 32.125 32.125 33.264 -1.139 17849 3120 1 5 . 1 1 62 62 GLN H H 62 7.541 7.541 8.918 -1.377 17849 3121 1 5 . 1 1 63 63 ILE N N 63 123.800 123.800 125.023 -1.223 17849 3122 1 5 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.714 0.332 17849 3123 1 5 . 1 1 63 63 ILE C C 63 176.626 176.626 176.090 0.536 17849 3124 1 5 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.170 1.723 17849 3125 1 5 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.370 1.810 17849 3126 1 5 . 1 1 63 63 ILE H H 63 9.312 9.312 8.976 0.336 17849 3127 1 5 . 1 1 64 64 GLU N N 64 128.941 128.941 127.560 1.381 17849 3128 1 5 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.653 0.323 17849 3129 1 5 . 1 1 64 64 GLU C C 64 178.001 178.001 177.162 0.839 17849 3130 1 5 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.623 2.098 17849 3131 1 5 . 1 1 64 64 GLU CB C 64 31.228 31.228 31.967 -0.739 17849 3132 1 5 . 1 1 64 64 GLU H H 64 8.846 8.846 8.893 -0.047 17849 3133 1 5 . 1 1 65 65 PHE N N 65 124.119 124.119 122.915 1.204 17849 3134 1 5 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.245 -0.719 17849 3135 1 5 . 1 1 65 65 PHE C C 65 176.981 176.981 177.468 -0.487 17849 3136 1 5 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.616 0.648 17849 3137 1 5 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.237 -1.413 17849 3138 1 5 . 1 1 65 65 PHE H H 65 9.488 9.488 9.021 0.467 17849 3139 1 5 . 1 1 66 66 SER N N 66 112.445 112.445 114.102 -1.657 17849 3140 1 5 . 1 1 66 66 SER HA H 66 3.667 3.667 4.146 -0.479 17849 3141 1 5 . 1 1 66 66 SER C C 66 177.385 177.385 176.609 0.776 17849 3142 1 5 . 1 1 66 66 SER CA C 66 61.503 61.503 61.227 0.276 17849 3143 1 5 . 1 1 66 66 SER CB C 66 61.285 61.285 62.410 -1.125 17849 3144 1 5 . 1 1 66 66 SER H H 66 8.972 8.972 8.447 0.525 17849 3145 1 5 . 1 1 67 67 GLU N N 67 122.775 122.775 122.682 0.093 17849 3146 1 5 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.028 0.092 17849 3147 1 5 . 1 1 67 67 GLU C C 67 178.567 178.567 178.833 -0.266 17849 3148 1 5 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.081 -1.238 17849 3149 1 5 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.610 -0.360 17849 3150 1 5 . 1 1 67 67 GLU H H 67 6.799 6.799 7.437 -0.638 17849 3151 1 5 . 1 1 68 68 PHE N N 68 123.231 123.231 120.673 2.558 17849 3152 1 5 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.124 -0.293 17849 3153 1 5 . 1 1 68 68 PHE C C 68 175.936 175.936 177.300 -1.364 17849 3154 1 5 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.686 -0.570 17849 3155 1 5 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.441 0.774 17849 3156 1 5 . 1 1 68 68 PHE H H 68 8.176 8.176 8.847 -0.671 17849 3157 1 5 . 1 1 69 69 LEU N N 69 118.554 118.554 118.572 -0.018 17849 3158 1 5 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.938 -0.772 17849 3159 1 5 . 1 1 69 69 LEU C C 69 179.074 179.074 178.153 0.921 17849 3160 1 5 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.455 -0.323 17849 3161 1 5 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.313 -0.047 17849 3162 1 5 . 1 1 69 69 LEU H H 69 8.626 8.626 7.853 0.773 17849 3163 1 5 . 1 1 70 70 ALA N N 70 120.878 120.878 120.090 0.788 17849 3164 1 5 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.836 0.049 17849 3165 1 5 . 1 1 70 70 ALA C C 70 179.914 179.914 179.017 0.897 17849 3166 1 5 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.712 0.258 17849 3167 1 5 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.924 -1.147 17849 3168 1 5 . 1 1 70 70 ALA H H 70 7.322 7.322 7.439 -0.117 17849 3169 1 5 . 1 1 71 71 LEU N N 71 118.871 118.871 118.741 0.130 17849 3170 1 5 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.679 0.249 17849 3171 1 5 . 1 1 71 71 LEU C C 71 178.009 178.009 179.555 -1.546 17849 3172 1 5 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.741 0.003 17849 3173 1 5 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.508 -0.096 17849 3174 1 5 . 1 1 71 71 LEU H H 71 7.219 7.219 7.738 -0.519 17849 3175 1 5 . 1 1 72 72 MET N N 72 113.480 113.480 113.595 -0.115 17849 3176 1 5 . 1 1 72 72 MET HA H 72 4.165 4.165 4.208 -0.043 17849 3177 1 5 . 1 1 72 72 MET CA C 72 55.413 55.413 57.141 -1.728 17849 3178 1 5 . 1 1 72 72 MET CB C 72 31.199 31.199 32.471 -1.272 17849 3179 1 5 . 1 1 72 72 MET H H 72 7.486 7.486 7.529 -0.043 17849 3180 1 5 . 1 1 73 73 SER HA H 73 4.337 4.337 4.463 -0.126 17849 3181 1 5 . 1 1 73 73 SER C C 73 174.241 174.241 175.868 -1.627 17849 3182 1 5 . 1 1 73 73 SER CA C 73 59.132 59.132 58.146 0.986 17849 3183 1 5 . 1 1 73 73 SER CB C 73 63.649 63.649 63.752 -0.103 17849 3184 1 5 . 1 1 73 73 SER H H 73 7.699 7.699 7.979 -0.280 17849 3185 1 5 . 1 1 74 74 ARG N N 74 121.213 121.213 122.485 -1.272 17849 3186 1 5 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.957 0.254 17849 3187 1 5 . 1 1 74 74 ARG C C 74 175.638 175.638 176.767 -1.129 17849 3188 1 5 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.419 -1.569 17849 3189 1 5 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.861 0.811 17849 3190 1 5 . 1 1 74 74 ARG H H 74 7.400 7.400 7.824 -0.424 17849 3191 1 5 . 1 1 75 75 GLN N N 75 118.914 118.914 118.644 0.270 17849 3192 1 5 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.578 1.736 17849 3193 1 5 . 1 1 75 75 GLN H H 75 8.090 8.090 8.242 -0.152 17849 3194 1 5 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.121 0.266 17849 3195 1 5 . 1 1 77 77 LYS C C 77 176.410 176.410 177.012 -0.602 17849 3196 1 5 . 1 1 77 77 LYS CA C 77 56.042 56.042 57.825 -1.784 17849 3197 1 5 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.460 0.697 17849 3198 1 5 . 1 1 78 78 SER N N 78 116.257 116.257 115.640 0.617 17849 3199 1 5 . 1 1 78 78 SER HA H 78 4.422 4.422 4.274 0.148 17849 3200 1 5 . 1 1 78 78 SER C C 78 174.436 174.436 174.570 -0.134 17849 3201 1 5 . 1 1 78 78 SER CA C 78 58.366 58.366 59.419 -1.053 17849 3202 1 5 . 1 1 78 78 SER CB C 78 63.855 63.855 62.881 0.974 17849 3203 1 5 . 1 1 78 78 SER H H 78 8.332 8.332 7.903 0.429 17849 3204 1 5 . 1 1 79 79 ASN N N 79 120.267 120.267 123.514 -3.247 17849 3205 1 5 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.292 0.435 17849 3206 1 5 . 1 1 79 79 ASN C C 79 174.966 174.966 174.477 0.489 17849 3207 1 5 . 1 1 79 79 ASN CA C 79 53.467 53.467 54.189 -0.722 17849 3208 1 5 . 1 1 79 79 ASN CB C 79 38.869 38.869 37.784 1.085 17849 3209 1 5 . 1 1 79 79 ASN H H 79 8.548 8.548 8.968 -0.420 17849 3210 1 5 . 1 1 80 80 ASP N N 80 119.659 119.659 115.720 3.939 17849 3211 1 5 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.362 0.255 17849 3212 1 5 . 1 1 80 80 ASP C C 80 176.412 176.412 175.014 1.398 17849 3213 1 5 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.883 -1.173 17849 3214 1 5 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.075 1.148 17849 3215 1 5 . 1 1 80 80 ASP H H 80 8.325 8.325 8.260 0.065 17849 3216 1 5 . 1 1 81 81 SER N N 81 115.425 115.425 108.166 7.259 17849 3217 1 5 . 1 1 81 81 SER HA H 81 4.414 4.414 4.521 -0.107 17849 3218 1 5 . 1 1 81 81 SER C C 81 174.733 174.733 172.142 2.591 17849 3219 1 5 . 1 1 81 81 SER CA C 81 59.183 59.183 57.542 1.641 17849 3220 1 5 . 1 1 81 81 SER CB C 81 63.784 63.784 65.210 -1.426 17849 3221 1 5 . 1 1 81 81 SER H H 81 8.256 8.256 7.962 0.294 17849 3222 1 5 . 1 1 82 82 GLU N N 82 121.456 121.456 119.775 1.681 17849 3223 1 5 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.163 0.160 17849 3224 1 5 . 1 1 82 82 GLU C C 82 176.385 176.385 175.810 0.575 17849 3225 1 5 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.167 0.561 17849 3226 1 5 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.651 -0.779 17849 3227 1 5 . 1 1 82 82 GLU H H 82 8.375 8.375 8.735 -0.360 17849 3228 1 5 . 1 1 83 83 GLN N N 83 120.069 120.069 117.425 2.644 17849 3229 1 5 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.415 -0.110 17849 3230 1 5 . 1 1 83 83 GLN C C 83 176.054 176.054 177.565 -1.511 17849 3231 1 5 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.744 -1.597 17849 3232 1 5 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.745 -0.443 17849 3233 1 5 . 1 1 83 83 GLN H H 83 8.233 8.233 8.481 -0.248 17849 3234 1 5 . 1 1 84 84 GLU N N 84 122.390 122.390 119.511 2.879 17849 3235 1 5 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.251 0.040 17849 3236 1 5 . 1 1 84 84 GLU C C 84 177.528 177.528 177.292 0.236 17849 3237 1 5 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.643 -1.445 17849 3238 1 5 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.856 0.257 17849 3239 1 5 . 1 1 84 84 GLU H H 84 8.567 8.567 8.474 0.093 17849 3240 1 5 . 1 1 85 85 LEU N N 85 122.788 122.788 119.702 3.086 17849 3241 1 5 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.370 -0.175 17849 3242 1 5 . 1 1 85 85 LEU CA C 85 56.517 56.517 55.009 1.508 17849 3243 1 5 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.315 1.101 17849 3244 1 5 . 1 1 85 85 LEU H H 85 8.434 8.434 7.887 0.547 17849 3245 1 5 . 1 1 86 86 LEU N N 86 119.558 119.558 119.939 -0.381 17849 3246 1 5 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.463 -0.306 17849 3247 1 5 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.350 -1.231 17849 3248 1 5 . 1 1 86 86 LEU CB C 86 41.558 41.558 42.157 -0.599 17849 3249 1 5 . 1 1 86 86 LEU H H 86 8.037 8.037 7.658 0.379 17849 3250 1 5 . 1 1 87 87 GLU N N 87 121.323 121.323 120.425 0.898 17849 3251 1 5 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.094 -0.171 17849 3252 1 5 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.183 0.364 17849 3253 1 5 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.672 0.671 17849 3254 1 5 . 1 1 87 87 GLU H H 87 8.192 8.192 8.201 -0.009 17849 3255 1 5 . 1 1 88 88 ALA N N 88 119.942 119.942 121.257 -1.315 17849 3256 1 5 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.619 -0.543 17849 3257 1 5 . 1 1 88 88 ALA C C 88 178.281 178.281 177.714 0.567 17849 3258 1 5 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.289 1.192 17849 3259 1 5 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.612 -0.802 17849 3260 1 5 . 1 1 88 88 ALA H H 88 8.363 8.363 8.204 0.159 17849 3261 1 5 . 1 1 89 89 PHE N N 89 111.807 111.807 117.784 -5.977 17849 3262 1 5 . 1 1 89 89 PHE HA H 89 4.489 4.489 5.044 -0.555 17849 3263 1 5 . 1 1 89 89 PHE C C 89 176.632 176.632 175.822 0.810 17849 3264 1 5 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.007 1.471 17849 3265 1 5 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.884 -1.242 17849 3266 1 5 . 1 1 89 89 PHE H H 89 7.855 7.855 7.939 -0.084 17849 3267 1 5 . 1 1 90 90 LYS N N 90 120.375 120.375 121.505 -1.130 17849 3268 1 5 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.395 -0.397 17849 3269 1 5 . 1 1 90 90 LYS C C 90 178.490 178.490 178.262 0.228 17849 3270 1 5 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.125 1.869 17849 3271 1 5 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.643 -0.729 17849 3272 1 5 . 1 1 90 90 LYS H H 90 7.957 7.957 8.257 -0.300 17849 3273 1 5 . 1 1 91 91 VAL N N 91 116.643 116.643 120.753 -4.110 17849 3274 1 5 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.714 0.160 17849 3275 1 5 . 1 1 91 91 VAL C C 91 175.413 175.413 176.316 -0.903 17849 3276 1 5 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.190 -1.497 17849 3277 1 5 . 1 1 91 91 VAL CB C 91 31.234 31.234 30.706 0.528 17849 3278 1 5 . 1 1 91 91 VAL H H 91 7.389 7.389 8.271 -0.882 17849 3279 1 5 . 1 1 92 92 PHE N N 92 115.769 115.769 113.156 2.613 17849 3280 1 5 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.299 0.221 17849 3281 1 5 . 1 1 92 92 PHE CA C 92 59.175 59.175 59.229 -0.054 17849 3282 1 5 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.849 1.385 17849 3283 1 5 . 1 1 92 92 PHE H H 92 7.534 7.534 7.745 -0.211 17849 3284 1 5 . 1 1 93 93 ASP N N 93 115.397 115.397 118.978 -3.581 17849 3285 1 5 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.148 -0.290 17849 3286 1 5 . 1 1 93 93 ASP C C 93 177.421 177.421 176.915 0.506 17849 3287 1 5 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.492 -0.026 17849 3288 1 5 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.603 -1.623 17849 3289 1 5 . 1 1 93 93 ASP H H 93 7.543 7.543 8.047 -0.504 17849 3290 1 5 . 1 1 94 94 LYS N N 94 125.591 125.591 125.172 0.419 17849 3291 1 5 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.278 -0.199 17849 3292 1 5 . 1 1 94 94 LYS C C 94 177.856 177.856 177.230 0.626 17849 3293 1 5 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.135 0.795 17849 3294 1 5 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.623 -0.229 17849 3295 1 5 . 1 1 94 94 LYS H H 94 7.873 7.873 8.432 -0.559 17849 3296 1 5 . 1 1 95 95 ASN N N 95 112.796 112.796 116.357 -3.561 17849 3297 1 5 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.756 0.041 17849 3298 1 5 . 1 1 95 95 ASN C C 95 176.619 176.619 175.499 1.120 17849 3299 1 5 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.492 -0.582 17849 3300 1 5 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.376 -0.099 17849 3301 1 5 . 1 1 95 95 ASN H H 95 8.272 8.272 7.790 0.482 17849 3302 1 5 . 1 1 96 96 GLY N N 96 109.132 109.132 107.961 1.171 17849 3303 1 5 . 1 1 96 96 GLY C C 96 174.799 174.799 174.376 0.423 17849 3304 1 5 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.734 0.837 17849 3305 1 5 . 1 1 96 96 GLY H H 96 7.654 7.654 7.604 0.050 17849 3306 1 5 . 1 1 97 97 ASP N N 97 118.796 118.796 120.160 -1.364 17849 3307 1 5 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.577 -0.047 17849 3308 1 5 . 1 1 97 97 ASP C C 97 177.137 177.137 177.574 -0.437 17849 3309 1 5 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.424 -0.032 17849 3310 1 5 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.380 -0.991 17849 3311 1 5 . 1 1 97 97 ASP H H 97 8.090 8.090 8.225 -0.135 17849 3312 1 5 . 1 1 98 98 GLY N N 98 112.962 112.962 106.910 6.052 17849 3313 1 5 . 1 1 98 98 GLY C C 98 172.142 172.142 173.525 -1.383 17849 3314 1 5 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.613 0.111 17849 3315 1 5 . 1 1 98 98 GLY H H 98 10.329 10.329 8.475 1.854 17849 3316 1 5 . 1 1 99 99 LEU N N 99 119.691 119.691 122.718 -3.027 17849 3317 1 5 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.750 0.012 17849 3318 1 5 . 1 1 99 99 LEU C C 99 176.162 176.162 174.791 1.371 17849 3319 1 5 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.798 -0.974 17849 3320 1 5 . 1 1 99 99 LEU CB C 99 44.782 44.782 44.904 -0.122 17849 3321 1 5 . 1 1 99 99 LEU H H 99 8.000 8.000 7.857 0.143 17849 3322 1 5 . 1 1 100 100 ILE N N 100 127.464 127.464 117.969 9.495 17849 3323 1 5 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.726 -0.052 17849 3324 1 5 . 1 1 100 100 ILE C C 100 175.006 175.006 174.524 0.482 17849 3325 1 5 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.606 1.814 17849 3326 1 5 . 1 1 100 100 ILE CB C 100 37.811 37.811 41.036 -3.225 17849 3327 1 5 . 1 1 100 100 ILE H H 100 9.491 9.491 8.111 1.380 17849 3328 1 5 . 1 1 101 101 SER N N 101 123.104 123.104 118.743 4.361 17849 3329 1 5 . 1 1 101 101 SER HA H 101 4.770 4.770 4.862 -0.092 17849 3330 1 5 . 1 1 101 101 SER C C 101 174.847 174.847 175.212 -0.365 17849 3331 1 5 . 1 1 101 101 SER CA C 101 55.854 55.854 56.855 -1.001 17849 3332 1 5 . 1 1 101 101 SER CB C 101 65.994 65.994 65.434 0.560 17849 3333 1 5 . 1 1 101 101 SER H H 101 9.058 9.058 8.121 0.937 17849 3334 1 5 . 1 1 102 102 ALA N N 102 124.316 124.316 123.804 0.512 17849 3335 1 5 . 1 1 102 102 ALA HA H 102 3.616 3.616 3.904 -0.288 17849 3336 1 5 . 1 1 102 102 ALA C C 102 179.388 179.388 179.090 0.298 17849 3337 1 5 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.430 1.294 17849 3338 1 5 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.581 -0.266 17849 3339 1 5 . 1 1 102 102 ALA H H 102 8.587 8.587 8.392 0.195 17849 3340 1 5 . 1 1 103 103 ALA N N 103 118.346 118.346 120.643 -2.297 17849 3341 1 5 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.773 0.227 17849 3342 1 5 . 1 1 103 103 ALA C C 103 181.188 181.188 179.824 1.364 17849 3343 1 5 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.706 0.352 17849 3344 1 5 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.937 0.452 17849 3345 1 5 . 1 1 103 103 ALA H H 103 8.266 8.266 8.391 -0.125 17849 3346 1 5 . 1 1 104 104 GLU N N 104 120.568 120.568 119.241 1.327 17849 3347 1 5 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.105 -0.049 17849 3348 1 5 . 1 1 104 104 GLU C C 104 178.762 178.762 179.292 -0.530 17849 3349 1 5 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.254 0.714 17849 3350 1 5 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.294 -0.384 17849 3351 1 5 . 1 1 104 104 GLU H H 104 7.928 7.928 8.781 -0.853 17849 3352 1 5 . 1 1 105 105 LEU N N 105 117.903 117.903 118.744 -0.841 17849 3353 1 5 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.374 -0.345 17849 3354 1 5 . 1 1 105 105 LEU C C 105 178.497 178.497 177.305 1.192 17849 3355 1 5 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.697 1.756 17849 3356 1 5 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.075 1.117 17849 3357 1 5 . 1 1 105 105 LEU H H 105 7.926 7.926 7.848 0.078 17849 3358 1 5 . 1 1 106 106 LYS N N 106 115.836 115.836 116.216 -0.380 17849 3359 1 5 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.323 -0.524 17849 3360 1 5 . 1 1 106 106 LYS C C 106 179.102 179.102 177.422 1.680 17849 3361 1 5 . 1 1 106 106 LYS CA C 106 60.172 60.172 57.341 2.831 17849 3362 1 5 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.512 0.098 17849 3363 1 5 . 1 1 106 106 LYS H H 106 8.337 8.337 7.788 0.549 17849 3364 1 5 . 1 1 107 107 HIS N N 107 119.620 119.620 117.809 1.811 17849 3365 1 5 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.661 -0.407 17849 3366 1 5 . 1 1 107 107 HIS C C 107 178.167 178.167 177.071 1.096 17849 3367 1 5 . 1 1 107 107 HIS CA C 107 59.928 59.928 56.931 2.997 17849 3368 1 5 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.618 -0.034 17849 3369 1 5 . 1 1 107 107 HIS H H 107 8.502 8.502 7.948 0.554 17849 3370 1 5 . 1 1 108 108 VAL N N 108 118.595 118.595 118.659 -0.064 17849 3371 1 5 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.896 -0.240 17849 3372 1 5 . 1 1 108 108 VAL C C 108 178.608 178.608 177.400 1.208 17849 3373 1 5 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.780 0.576 17849 3374 1 5 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.145 1.170 17849 3375 1 5 . 1 1 108 108 VAL H H 108 8.348 8.348 7.320 1.028 17849 3376 1 5 . 1 1 109 109 LEU N N 109 116.755 116.755 116.871 -0.116 17849 3377 1 5 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.000 0.144 17849 3378 1 5 . 1 1 109 109 LEU C C 109 179.267 179.267 177.700 1.567 17849 3379 1 5 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.571 -0.117 17849 3380 1 5 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.492 0.611 17849 3381 1 5 . 1 1 109 109 LEU H H 109 8.251 8.251 7.922 0.329 17849 3382 1 5 . 1 1 110 110 THR N N 110 111.046 111.046 107.016 4.030 17849 3383 1 5 . 1 1 110 110 THR HA H 110 4.256 4.256 4.329 -0.073 17849 3384 1 5 . 1 1 110 110 THR C C 110 175.897 175.897 175.870 0.027 17849 3385 1 5 . 1 1 110 110 THR CA C 110 64.465 64.465 62.847 1.618 17849 3386 1 5 . 1 1 110 110 THR CB C 110 69.431 69.431 69.953 -0.522 17849 3387 1 5 . 1 1 110 110 THR H H 110 8.085 8.085 7.589 0.496 17849 3388 1 5 . 1 1 111 111 SER N N 111 117.074 117.074 118.477 -1.403 17849 3389 1 5 . 1 1 111 111 SER HA H 111 4.406 4.406 4.199 0.207 17849 3390 1 5 . 1 1 111 111 SER C C 111 175.051 175.051 175.524 -0.473 17849 3391 1 5 . 1 1 111 111 SER CA C 111 59.968 59.968 61.526 -1.558 17849 3392 1 5 . 1 1 111 111 SER CB C 111 63.391 63.391 63.685 -0.294 17849 3393 1 5 . 1 1 111 111 SER H H 111 7.681 7.681 7.721 -0.040 17849 3394 1 5 . 1 1 112 112 ILE N N 112 119.783 119.783 116.793 2.990 17849 3395 1 5 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.763 0.328 17849 3396 1 5 . 1 1 112 112 ILE C C 112 177.040 177.040 175.496 1.544 17849 3397 1 5 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.535 0.988 17849 3398 1 5 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.139 3.205 17849 3399 1 5 . 1 1 112 112 ILE H H 112 7.444 7.444 7.842 -0.398 17849 3400 1 5 . 1 1 113 113 GLY N N 113 110.432 110.432 107.388 3.044 17849 3401 1 5 . 1 1 113 113 GLY C C 113 174.442 174.442 174.586 -0.144 17849 3402 1 5 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.327 0.316 17849 3403 1 5 . 1 1 113 113 GLY H H 113 8.148 8.148 8.092 0.056 17849 3404 1 5 . 1 1 114 114 GLU N N 114 120.374 120.374 124.076 -3.702 17849 3405 1 5 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.229 0.037 17849 3406 1 5 . 1 1 114 114 GLU C C 114 176.556 176.556 176.644 -0.088 17849 3407 1 5 . 1 1 114 114 GLU CA C 114 56.773 56.773 55.904 0.869 17849 3408 1 5 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.953 -0.663 17849 3409 1 5 . 1 1 114 114 GLU H H 114 8.092 8.092 8.147 -0.055 17849 3410 1 5 . 1 1 115 115 LYS N N 115 121.383 121.383 116.492 4.891 17849 3411 1 5 . 1 1 115 115 LYS HA H 115 4.335 4.335 3.984 0.351 17849 3412 1 5 . 1 1 115 115 LYS C C 115 176.654 176.654 175.470 1.184 17849 3413 1 5 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.944 -0.645 17849 3414 1 5 . 1 1 115 115 LYS CB C 115 32.839 32.839 30.731 2.108 17849 3415 1 5 . 1 1 115 115 LYS H H 115 8.221 8.221 8.537 -0.316 17849 3416 1 5 . 1 1 116 116 LEU N N 116 123.146 123.146 121.414 1.732 17849 3417 1 5 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.130 0.291 17849 3418 1 5 . 1 1 116 116 LEU C C 116 177.677 177.677 177.325 0.352 17849 3419 1 5 . 1 1 116 116 LEU CA C 116 55.320 55.320 56.034 -0.714 17849 3420 1 5 . 1 1 116 116 LEU CB C 116 42.309 42.309 42.309 -0.000 17849 3421 1 5 . 1 1 116 116 LEU H H 116 8.265 8.265 8.021 0.244 17849 3422 1 5 . 1 1 117 117 THR N N 117 113.859 113.859 115.906 -2.047 17849 3423 1 5 . 1 1 117 117 THR HA H 117 4.337 4.337 4.571 -0.234 17849 3424 1 5 . 1 1 117 117 THR C C 117 174.535 174.535 173.803 0.732 17849 3425 1 5 . 1 1 117 117 THR CA C 117 61.824 61.824 60.157 1.667 17849 3426 1 5 . 1 1 117 117 THR CB C 117 70.096 70.096 71.317 -1.221 17849 3427 1 5 . 1 1 117 117 THR H H 117 8.182 8.182 7.817 0.365 17849 3428 1 5 . 1 1 118 118 ASP N N 118 122.049 122.049 117.984 4.065 17849 3429 1 5 . 1 1 118 118 ASP HA H 118 4.533 4.533 5.118 -0.585 17849 3430 1 5 . 1 1 118 118 ASP C C 118 176.728 176.728 177.417 -0.689 17849 3431 1 5 . 1 1 118 118 ASP CA C 118 55.218 55.218 54.913 0.305 17849 3432 1 5 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.395 -0.543 17849 3433 1 5 . 1 1 118 118 ASP H H 118 8.367 8.367 8.546 -0.179 17849 3434 1 5 . 1 1 119 119 ALA N N 119 123.432 123.432 120.557 2.875 17849 3435 1 5 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.421 -0.202 17849 3436 1 5 . 1 1 119 119 ALA C C 119 178.486 178.486 178.311 0.175 17849 3437 1 5 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.179 0.254 17849 3438 1 5 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.540 0.536 17849 3439 1 5 . 1 1 119 119 ALA H H 119 8.206 8.206 7.768 0.438 17849 3440 1 5 . 1 1 120 120 GLU N N 120 118.592 118.592 116.888 1.704 17849 3441 1 5 . 1 1 120 120 GLU HA H 120 4.182 4.182 3.969 0.213 17849 3442 1 5 . 1 1 120 120 GLU C C 120 177.133 177.133 177.454 -0.321 17849 3443 1 5 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.960 -1.855 17849 3444 1 5 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.570 0.482 17849 3445 1 5 . 1 1 120 120 GLU H H 120 8.187 8.187 8.363 -0.176 17849 3446 1 5 . 1 1 121 121 LEU N N 121 121.427 121.427 112.862 8.565 17849 3447 1 5 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.484 -0.280 17849 3448 1 5 . 1 1 121 121 LEU C C 121 177.710 177.710 177.587 0.123 17849 3449 1 5 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.242 0.510 17849 3450 1 5 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.261 -1.003 17849 3451 1 5 . 1 1 121 121 LEU H H 121 8.020 8.020 7.390 0.630 17849 3452 1 5 . 1 1 122 122 GLU N N 122 119.850 119.850 122.321 -2.471 17849 3453 1 5 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.095 0.032 17849 3454 1 5 . 1 1 122 122 GLU C C 122 176.518 176.518 175.412 1.106 17849 3455 1 5 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.997 -0.983 17849 3456 1 5 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.160 0.896 17849 3457 1 5 . 1 1 122 122 GLU H H 122 8.118 8.118 8.184 -0.066 17849 3458 1 5 . 1 1 123 123 HIS N N 123 118.817 118.817 120.885 -2.068 17849 3459 1 5 . 1 1 123 123 HIS CA C 123 56.259 56.259 53.538 2.721 17849 3460 1 5 . 1 1 123 123 HIS H H 123 8.106 8.106 8.528 -0.422 17849 3461 1 6 . 1 1 2 2 SER HA H 2 4.507 4.507 4.571 -0.064 17849 3462 1 6 . 1 1 2 2 SER CA C 2 58.342 58.342 58.294 0.048 17849 3463 1 6 . 1 1 2 2 SER CB C 2 63.883 63.883 62.612 1.271 17849 3464 1 6 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.937 -0.173 17849 3465 1 6 . 1 1 3 3 ASN C C 3 174.784 174.784 173.976 0.808 17849 3466 1 6 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.314 0.811 17849 3467 1 6 . 1 1 3 3 ASN CB C 3 38.893 38.893 41.085 -2.192 17849 3468 1 6 . 1 1 4 4 LEU N N 4 121.466 121.466 121.306 0.160 17849 3469 1 6 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.603 0.097 17849 3470 1 6 . 1 1 4 4 LEU C C 4 177.665 177.665 176.656 1.009 17849 3471 1 6 . 1 1 4 4 LEU CA C 4 54.512 54.512 54.915 -0.403 17849 3472 1 6 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.747 0.892 17849 3473 1 6 . 1 1 4 4 LEU H H 4 8.097 8.097 8.515 -0.418 17849 3474 1 6 . 1 1 5 5 THR N N 5 112.990 112.990 114.561 -1.571 17849 3475 1 6 . 1 1 5 5 THR HA H 5 4.481 4.481 4.565 -0.084 17849 3476 1 6 . 1 1 5 5 THR C C 5 175.474 175.474 175.130 0.344 17849 3477 1 6 . 1 1 5 5 THR CA C 5 60.528 60.528 59.796 0.732 17849 3478 1 6 . 1 1 5 5 THR CB C 5 71.244 71.244 71.453 -0.209 17849 3479 1 6 . 1 1 5 5 THR H H 5 8.778 8.778 7.786 0.992 17849 3480 1 6 . 1 1 6 6 GLU N N 6 120.343 120.343 120.380 -0.037 17849 3481 1 6 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.944 0.058 17849 3482 1 6 . 1 1 6 6 GLU C C 6 179.568 179.568 178.477 1.091 17849 3483 1 6 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.109 0.067 17849 3484 1 6 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.262 -0.038 17849 3485 1 6 . 1 1 6 6 GLU H H 6 9.078 9.078 8.897 0.181 17849 3486 1 6 . 1 1 7 7 GLU N N 7 119.544 119.544 120.218 -0.674 17849 3487 1 6 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.905 0.206 17849 3488 1 6 . 1 1 7 7 GLU C C 7 179.170 179.170 178.983 0.187 17849 3489 1 6 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.160 0.877 17849 3490 1 6 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.420 -0.303 17849 3491 1 6 . 1 1 7 7 GLU H H 7 8.820 8.820 7.636 1.184 17849 3492 1 6 . 1 1 8 8 GLN N N 8 119.824 119.824 118.388 1.436 17849 3493 1 6 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.660 0.504 17849 3494 1 6 . 1 1 8 8 GLN C C 8 179.652 179.652 177.927 1.725 17849 3495 1 6 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.152 0.600 17849 3496 1 6 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.263 1.476 17849 3497 1 6 . 1 1 8 8 GLN H H 8 7.812 7.812 7.295 0.517 17849 3498 1 6 . 1 1 9 9 ILE N N 9 120.978 120.978 120.216 0.762 17849 3499 1 6 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.436 0.416 17849 3500 1 6 . 1 1 9 9 ILE C C 9 177.899 177.899 177.991 -0.092 17849 3501 1 6 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.457 1.119 17849 3502 1 6 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.553 0.436 17849 3503 1 6 . 1 1 9 9 ILE H H 9 8.634 8.634 8.398 0.236 17849 3504 1 6 . 1 1 10 10 ALA N N 10 121.528 121.528 120.397 1.131 17849 3505 1 6 . 1 1 10 10 ALA HA H 10 4.106 4.106 3.943 0.163 17849 3506 1 6 . 1 1 10 10 ALA C C 10 180.886 180.886 179.807 1.079 17849 3507 1 6 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.530 -0.112 17849 3508 1 6 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.821 -0.046 17849 3509 1 6 . 1 1 10 10 ALA H H 10 8.142 8.142 7.979 0.163 17849 3510 1 6 . 1 1 11 11 GLU N N 11 118.807 118.807 119.141 -0.334 17849 3511 1 6 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.073 0.141 17849 3512 1 6 . 1 1 11 11 GLU C C 11 180.292 180.292 179.352 0.940 17849 3513 1 6 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.948 0.416 17849 3514 1 6 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.140 0.648 17849 3515 1 6 . 1 1 11 11 GLU H H 11 7.810 7.810 7.659 0.151 17849 3516 1 6 . 1 1 12 12 PHE N N 12 118.671 118.671 119.094 -0.423 17849 3517 1 6 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.316 0.331 17849 3518 1 6 . 1 1 12 12 PHE C C 12 179.032 179.032 178.585 0.447 17849 3519 1 6 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.613 3.547 17849 3520 1 6 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.694 1.321 17849 3521 1 6 . 1 1 12 12 PHE H H 12 8.432 8.432 8.211 0.221 17849 3522 1 6 . 1 1 13 13 LYS N N 13 123.536 123.536 118.288 5.248 17849 3523 1 6 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.124 -0.284 17849 3524 1 6 . 1 1 13 13 LYS C C 13 179.114 179.114 179.157 -0.043 17849 3525 1 6 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.135 -0.047 17849 3526 1 6 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.207 -0.555 17849 3527 1 6 . 1 1 13 13 LYS H H 13 8.981 8.981 8.786 0.195 17849 3528 1 6 . 1 1 14 14 GLU N N 14 119.691 119.691 119.551 0.140 17849 3529 1 6 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.338 -0.241 17849 3530 1 6 . 1 1 14 14 GLU C C 14 179.285 179.285 178.736 0.549 17849 3531 1 6 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.721 0.524 17849 3532 1 6 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.667 -0.026 17849 3533 1 6 . 1 1 14 14 GLU H H 14 7.737 7.737 8.381 -0.644 17849 3534 1 6 . 1 1 15 15 ALA N N 15 120.127 120.127 122.677 -2.550 17849 3535 1 6 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.238 -0.071 17849 3536 1 6 . 1 1 15 15 ALA C C 15 178.607 178.607 179.873 -1.266 17849 3537 1 6 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.106 -0.047 17849 3538 1 6 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.559 0.572 17849 3539 1 6 . 1 1 15 15 ALA H H 15 7.747 7.747 8.538 -0.791 17849 3540 1 6 . 1 1 16 16 PHE N N 16 119.058 119.058 118.416 0.642 17849 3541 1 6 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.320 -1.013 17849 3542 1 6 . 1 1 16 16 PHE C C 16 177.236 177.236 177.144 0.092 17849 3543 1 6 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.168 1.537 17849 3544 1 6 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.556 0.196 17849 3545 1 6 . 1 1 16 16 PHE H H 16 8.908 8.908 8.668 0.240 17849 3546 1 6 . 1 1 17 17 ALA N N 17 119.352 119.352 122.609 -3.257 17849 3547 1 6 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.290 -0.167 17849 3548 1 6 . 1 1 17 17 ALA C C 17 178.680 178.680 178.666 0.014 17849 3549 1 6 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.562 -0.023 17849 3550 1 6 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.424 -0.209 17849 3551 1 6 . 1 1 17 17 ALA H H 17 7.877 7.877 7.887 -0.010 17849 3552 1 6 . 1 1 18 18 LEU N N 18 115.281 115.281 118.061 -2.780 17849 3553 1 6 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.061 -0.006 17849 3554 1 6 . 1 1 18 18 LEU C C 18 178.393 178.393 178.284 0.109 17849 3555 1 6 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.593 -0.951 17849 3556 1 6 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.645 0.098 17849 3557 1 6 . 1 1 18 18 LEU H H 18 7.369 7.369 8.145 -0.776 17849 3558 1 6 . 1 1 19 19 PHE N N 19 115.719 115.719 115.463 0.256 17849 3559 1 6 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.355 -0.146 17849 3560 1 6 . 1 1 19 19 PHE C C 19 176.704 176.704 176.235 0.469 17849 3561 1 6 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.936 -0.703 17849 3562 1 6 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.972 1.698 17849 3563 1 6 . 1 1 19 19 PHE H H 19 7.468 7.468 7.955 -0.487 17849 3564 1 6 . 1 1 20 20 ASP N N 20 117.209 117.209 118.988 -1.779 17849 3565 1 6 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.383 0.078 17849 3566 1 6 . 1 1 20 20 ASP C C 20 176.557 176.557 176.305 0.252 17849 3567 1 6 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.497 -3.252 17849 3568 1 6 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.853 -2.706 17849 3569 1 6 . 1 1 20 20 ASP H H 20 7.488 7.488 7.758 -0.270 17849 3570 1 6 . 1 1 21 21 LYS N N 21 124.086 124.086 124.673 -0.587 17849 3571 1 6 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.186 -0.188 17849 3572 1 6 . 1 1 21 21 LYS C C 21 177.844 177.844 177.429 0.415 17849 3573 1 6 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.304 0.004 17849 3574 1 6 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.735 -0.283 17849 3575 1 6 . 1 1 21 21 LYS H H 21 7.376 7.376 8.648 -1.272 17849 3576 1 6 . 1 1 22 22 ASP N N 22 114.097 114.097 115.687 -1.590 17849 3577 1 6 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.590 0.014 17849 3578 1 6 . 1 1 22 22 ASP C C 22 176.349 176.349 175.909 0.440 17849 3579 1 6 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.200 -0.497 17849 3580 1 6 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.121 -0.766 17849 3581 1 6 . 1 1 22 22 ASP H H 22 8.113 8.113 8.245 -0.132 17849 3582 1 6 . 1 1 23 23 ASN N N 23 115.562 115.562 118.276 -2.714 17849 3583 1 6 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.638 -0.243 17849 3584 1 6 . 1 1 23 23 ASN C C 23 174.864 174.864 175.121 -0.257 17849 3585 1 6 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.549 0.851 17849 3586 1 6 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.754 0.170 17849 3587 1 6 . 1 1 23 23 ASN H H 23 8.048 8.048 8.345 -0.297 17849 3588 1 6 . 1 1 24 24 ASN N N 24 117.615 117.615 116.683 0.932 17849 3589 1 6 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.715 0.120 17849 3590 1 6 . 1 1 24 24 ASN C C 24 177.445 177.445 175.959 1.486 17849 3591 1 6 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.089 -0.674 17849 3592 1 6 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.231 -0.750 17849 3593 1 6 . 1 1 24 24 ASN H H 24 8.517 8.517 8.830 -0.313 17849 3594 1 6 . 1 1 25 25 GLY N N 25 114.308 114.308 107.167 7.141 17849 3595 1 6 . 1 1 25 25 GLY C C 25 173.105 173.105 173.411 -0.306 17849 3596 1 6 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.290 0.190 17849 3597 1 6 . 1 1 25 25 GLY H H 25 10.729 10.729 8.043 2.686 17849 3598 1 6 . 1 1 26 26 SER N N 26 113.267 113.267 116.901 -3.634 17849 3599 1 6 . 1 1 26 26 SER HA H 26 5.330 5.330 5.557 -0.227 17849 3600 1 6 . 1 1 26 26 SER C C 26 172.610 172.610 174.042 -1.432 17849 3601 1 6 . 1 1 26 26 SER CA C 26 57.375 57.375 57.233 0.143 17849 3602 1 6 . 1 1 26 26 SER CB C 26 66.504 66.504 65.282 1.222 17849 3603 1 6 . 1 1 26 26 SER H H 26 7.773 7.773 7.569 0.204 17849 3604 1 6 . 1 1 27 27 ILE N N 27 127.124 127.124 125.600 1.524 17849 3605 1 6 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.496 0.392 17849 3606 1 6 . 1 1 27 27 ILE C C 27 175.876 175.876 175.223 0.653 17849 3607 1 6 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.546 -0.510 17849 3608 1 6 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.312 -1.416 17849 3609 1 6 . 1 1 27 27 ILE H H 27 9.848 9.848 8.550 1.298 17849 3610 1 6 . 1 1 28 28 SER N N 28 124.825 124.825 120.530 4.295 17849 3611 1 6 . 1 1 28 28 SER HA H 28 4.771 4.771 5.266 -0.495 17849 3612 1 6 . 1 1 28 28 SER C C 28 175.395 175.395 175.383 0.012 17849 3613 1 6 . 1 1 28 28 SER CA C 28 56.680 56.680 55.697 0.983 17849 3614 1 6 . 1 1 28 28 SER CB C 28 66.154 66.154 65.447 0.707 17849 3615 1 6 . 1 1 28 28 SER H H 28 9.347 9.347 8.838 0.509 17849 3616 1 6 . 1 1 29 29 SER N N 29 116.882 116.882 119.846 -2.964 17849 3617 1 6 . 1 1 29 29 SER HA H 29 4.144 4.144 4.324 -0.180 17849 3618 1 6 . 1 1 29 29 SER C C 29 176.516 176.516 176.361 0.155 17849 3619 1 6 . 1 1 29 29 SER CA C 29 62.634 62.634 60.365 2.269 17849 3620 1 6 . 1 1 29 29 SER CB C 29 62.227 62.227 62.898 -0.670 17849 3621 1 6 . 1 1 29 29 SER H H 29 9.604 9.604 9.193 0.411 17849 3622 1 6 . 1 1 30 30 SER N N 30 116.141 116.141 116.940 -0.799 17849 3623 1 6 . 1 1 30 30 SER HA H 30 4.327 4.327 4.178 0.149 17849 3624 1 6 . 1 1 30 30 SER C C 30 177.965 177.965 175.935 2.030 17849 3625 1 6 . 1 1 30 30 SER CA C 30 61.341 61.341 61.771 -0.430 17849 3626 1 6 . 1 1 30 30 SER CB C 30 62.429 62.429 63.111 -0.682 17849 3627 1 6 . 1 1 30 30 SER H H 30 8.184 8.184 7.604 0.580 17849 3628 1 6 . 1 1 31 31 GLU N N 31 124.933 124.933 119.959 4.974 17849 3629 1 6 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.212 -0.121 17849 3630 1 6 . 1 1 31 31 GLU C C 31 179.355 179.355 178.065 1.290 17849 3631 1 6 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.874 0.568 17849 3632 1 6 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.779 -0.444 17849 3633 1 6 . 1 1 31 31 GLU H H 31 7.973 7.973 7.803 0.170 17849 3634 1 6 . 1 1 32 32 LEU N N 32 120.778 120.778 120.711 0.067 17849 3635 1 6 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.224 -0.057 17849 3636 1 6 . 1 1 32 32 LEU C C 32 178.364 178.364 178.968 -0.604 17849 3637 1 6 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.244 1.103 17849 3638 1 6 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.412 0.699 17849 3639 1 6 . 1 1 32 32 LEU H H 32 8.616 8.616 8.430 0.186 17849 3640 1 6 . 1 1 33 33 ALA N N 33 120.423 120.423 120.834 -0.411 17849 3641 1 6 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.073 -0.197 17849 3642 1 6 . 1 1 33 33 ALA C C 33 179.394 179.394 179.384 0.010 17849 3643 1 6 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.209 0.579 17849 3644 1 6 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.120 0.398 17849 3645 1 6 . 1 1 33 33 ALA H H 33 8.688 8.688 8.396 0.292 17849 3646 1 6 . 1 1 34 34 THR N N 34 114.299 114.299 113.423 0.876 17849 3647 1 6 . 1 1 34 34 THR HA H 34 3.902 3.902 4.130 -0.228 17849 3648 1 6 . 1 1 34 34 THR C C 34 177.161 177.161 175.657 1.504 17849 3649 1 6 . 1 1 34 34 THR CA C 34 67.173 67.173 66.081 1.092 17849 3650 1 6 . 1 1 34 34 THR CB C 34 68.712 68.712 68.677 0.035 17849 3651 1 6 . 1 1 34 34 THR H H 34 8.219 8.219 7.687 0.532 17849 3652 1 6 . 1 1 35 35 VAL N N 35 122.638 122.638 119.682 2.956 17849 3653 1 6 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.687 -0.103 17849 3654 1 6 . 1 1 35 35 VAL C C 35 178.403 178.403 178.086 0.317 17849 3655 1 6 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.495 1.389 17849 3656 1 6 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.606 -0.245 17849 3657 1 6 . 1 1 35 35 VAL H H 35 7.791 7.791 8.044 -0.253 17849 3658 1 6 . 1 1 36 36 MET N N 36 117.307 117.307 119.495 -2.188 17849 3659 1 6 . 1 1 36 36 MET HA H 36 3.906 3.906 4.008 -0.102 17849 3660 1 6 . 1 1 36 36 MET C C 36 178.456 178.456 178.057 0.399 17849 3661 1 6 . 1 1 36 36 MET CA C 36 59.787 59.787 59.157 0.629 17849 3662 1 6 . 1 1 36 36 MET CB C 36 32.548 32.548 31.918 0.630 17849 3663 1 6 . 1 1 36 36 MET H H 36 8.308 8.308 7.657 0.651 17849 3664 1 6 . 1 1 37 37 ARG N N 37 118.384 118.384 116.050 2.334 17849 3665 1 6 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.119 0.638 17849 3666 1 6 . 1 1 37 37 ARG C C 37 181.371 181.371 178.089 3.282 17849 3667 1 6 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.293 0.594 17849 3668 1 6 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.431 0.667 17849 3669 1 6 . 1 1 37 37 ARG H H 37 8.634 8.634 7.883 0.751 17849 3670 1 6 . 1 1 38 38 SER N N 38 118.916 118.916 113.009 5.907 17849 3671 1 6 . 1 1 38 38 SER HA H 38 4.339 4.339 4.363 -0.024 17849 3672 1 6 . 1 1 38 38 SER C C 38 174.705 174.705 175.730 -1.025 17849 3673 1 6 . 1 1 38 38 SER CA C 38 61.793 61.793 59.816 1.977 17849 3674 1 6 . 1 1 38 38 SER CB C 38 62.713 62.713 63.388 -0.675 17849 3675 1 6 . 1 1 38 38 SER H H 38 8.226 8.226 7.965 0.261 17849 3676 1 6 . 1 1 39 39 LEU N N 39 119.948 119.948 121.010 -1.062 17849 3677 1 6 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.067 0.229 17849 3678 1 6 . 1 1 39 39 LEU C C 39 176.723 176.723 178.284 -1.561 17849 3679 1 6 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.657 -3.097 17849 3680 1 6 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.541 -0.552 17849 3681 1 6 . 1 1 39 39 LEU H H 39 7.331 7.331 7.868 -0.537 17849 3682 1 6 . 1 1 40 40 GLY N N 40 105.997 105.997 102.650 3.347 17849 3683 1 6 . 1 1 40 40 GLY C C 40 174.405 174.405 173.494 0.911 17849 3684 1 6 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.337 -0.149 17849 3685 1 6 . 1 1 40 40 GLY H H 40 7.889 7.889 7.823 0.066 17849 3686 1 6 . 1 1 41 41 LEU N N 41 120.071 120.071 118.549 1.522 17849 3687 1 6 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.880 -0.394 17849 3688 1 6 . 1 1 41 41 LEU C C 41 175.829 175.829 174.990 0.839 17849 3689 1 6 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.746 0.441 17849 3690 1 6 . 1 1 41 41 LEU CB C 41 42.573 42.573 44.096 -1.523 17849 3691 1 6 . 1 1 41 41 LEU H H 41 7.592 7.592 7.618 -0.026 17849 3692 1 6 . 1 1 42 42 SER N N 42 112.869 112.869 114.116 -1.247 17849 3693 1 6 . 1 1 42 42 SER HA H 42 4.797 4.797 4.804 -0.007 17849 3694 1 6 . 1 1 42 42 SER CA C 42 54.960 54.960 55.416 -0.456 17849 3695 1 6 . 1 1 42 42 SER CB C 42 63.177 63.177 64.307 -1.130 17849 3696 1 6 . 1 1 42 42 SER H H 42 8.761 8.761 8.261 0.500 17849 3697 1 6 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.496 0.212 17849 3698 1 6 . 1 1 43 43 PRO C C 43 177.533 177.533 176.788 0.745 17849 3699 1 6 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.383 -0.208 17849 3700 1 6 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.489 -0.614 17849 3701 1 6 . 1 1 44 44 SER N N 44 119.089 119.089 118.703 0.386 17849 3702 1 6 . 1 1 44 44 SER HA H 44 4.574 4.574 4.521 0.053 17849 3703 1 6 . 1 1 44 44 SER C C 44 174.803 174.803 176.082 -1.279 17849 3704 1 6 . 1 1 44 44 SER CA C 44 56.786 56.786 58.183 -1.397 17849 3705 1 6 . 1 1 44 44 SER CB C 44 65.387 65.387 64.502 0.885 17849 3706 1 6 . 1 1 44 44 SER H H 44 9.014 9.014 8.600 0.414 17849 3707 1 6 . 1 1 45 45 GLU N N 45 121.343 121.343 124.515 -3.172 17849 3708 1 6 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.976 -0.032 17849 3709 1 6 . 1 1 45 45 GLU C C 45 178.978 178.978 178.061 0.917 17849 3710 1 6 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.259 0.847 17849 3711 1 6 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.461 -0.158 17849 3712 1 6 . 1 1 45 45 GLU H H 45 8.925 8.925 8.996 -0.071 17849 3713 1 6 . 1 1 46 46 ALA N N 46 120.822 120.822 121.687 -0.865 17849 3714 1 6 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.191 -0.045 17849 3715 1 6 . 1 1 46 46 ALA C C 46 179.782 179.782 179.548 0.234 17849 3716 1 6 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.416 0.670 17849 3717 1 6 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.057 0.199 17849 3718 1 6 . 1 1 46 46 ALA H H 46 8.339 8.339 8.271 0.068 17849 3719 1 6 . 1 1 47 47 GLU N N 47 118.432 118.432 118.886 -0.454 17849 3720 1 6 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.239 -0.165 17849 3721 1 6 . 1 1 47 47 GLU C C 47 180.222 180.222 178.696 1.526 17849 3722 1 6 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.282 0.927 17849 3723 1 6 . 1 1 47 47 GLU CB C 47 29.885 29.885 30.056 -0.171 17849 3724 1 6 . 1 1 47 47 GLU H H 47 7.759 7.759 8.091 -0.332 17849 3725 1 6 . 1 1 48 48 VAL N N 48 120.023 120.023 119.853 0.170 17849 3726 1 6 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.657 -0.159 17849 3727 1 6 . 1 1 48 48 VAL C C 48 177.380 177.380 177.557 -0.177 17849 3728 1 6 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.828 0.430 17849 3729 1 6 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.862 -0.501 17849 3730 1 6 . 1 1 48 48 VAL H H 48 8.174 8.174 8.310 -0.136 17849 3731 1 6 . 1 1 49 49 ASN N N 49 118.475 118.475 118.150 0.325 17849 3732 1 6 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.375 0.030 17849 3733 1 6 . 1 1 49 49 ASN C C 49 177.352 177.352 177.115 0.237 17849 3734 1 6 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.582 0.128 17849 3735 1 6 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.038 0.232 17849 3736 1 6 . 1 1 49 49 ASN H H 49 8.208 8.208 8.326 -0.118 17849 3737 1 6 . 1 1 50 50 ASP N N 50 120.147 120.147 120.303 -0.156 17849 3738 1 6 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.436 0.046 17849 3739 1 6 . 1 1 50 50 ASP C C 50 178.973 178.973 178.210 0.763 17849 3740 1 6 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.907 0.533 17849 3741 1 6 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.637 -0.457 17849 3742 1 6 . 1 1 50 50 ASP H H 50 8.400 8.400 7.775 0.625 17849 3743 1 6 . 1 1 51 51 LEU N N 51 121.706 121.706 119.639 2.067 17849 3744 1 6 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.220 -0.112 17849 3745 1 6 . 1 1 51 51 LEU C C 51 178.796 178.796 179.123 -0.327 17849 3746 1 6 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.243 0.889 17849 3747 1 6 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.069 -0.180 17849 3748 1 6 . 1 1 51 51 LEU H H 51 7.830 7.830 8.158 -0.328 17849 3749 1 6 . 1 1 52 52 MET N N 52 117.267 117.267 117.320 -0.053 17849 3750 1 6 . 1 1 52 52 MET HA H 52 4.145 4.145 4.245 -0.100 17849 3751 1 6 . 1 1 52 52 MET C C 52 178.260 178.260 178.915 -0.655 17849 3752 1 6 . 1 1 52 52 MET CA C 52 57.418 57.418 56.379 1.039 17849 3753 1 6 . 1 1 52 52 MET CB C 52 30.089 30.089 30.901 -0.812 17849 3754 1 6 . 1 1 52 52 MET H H 52 8.601 8.601 8.642 -0.041 17849 3755 1 6 . 1 1 53 53 ASN N N 53 115.368 115.368 118.163 -2.795 17849 3756 1 6 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.468 0.105 17849 3757 1 6 . 1 1 53 53 ASN C C 53 176.890 176.890 176.541 0.349 17849 3758 1 6 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.494 -1.162 17849 3759 1 6 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.539 -0.385 17849 3760 1 6 . 1 1 53 53 ASN H H 53 8.239 8.239 8.211 0.028 17849 3761 1 6 . 1 1 54 54 GLU N N 54 117.437 117.437 118.347 -0.910 17849 3762 1 6 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.109 0.141 17849 3763 1 6 . 1 1 54 54 GLU C C 54 177.019 177.019 178.066 -1.047 17849 3764 1 6 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.787 -1.100 17849 3765 1 6 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.759 0.334 17849 3766 1 6 . 1 1 54 54 GLU H H 54 7.625 7.625 7.857 -0.232 17849 3767 1 6 . 1 1 55 55 ILE N N 55 117.098 117.098 116.698 0.400 17849 3768 1 6 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.791 0.110 17849 3769 1 6 . 1 1 55 55 ILE C C 55 176.027 176.027 176.232 -0.205 17849 3770 1 6 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.841 -1.204 17849 3771 1 6 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.077 1.959 17849 3772 1 6 . 1 1 55 55 ILE H H 55 7.496 7.496 7.371 0.125 17849 3773 1 6 . 1 1 56 56 ASP N N 56 118.367 118.367 119.242 -0.875 17849 3774 1 6 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.725 -0.308 17849 3775 1 6 . 1 1 56 56 ASP C C 56 175.761 175.761 176.313 -0.552 17849 3776 1 6 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.594 -0.187 17849 3777 1 6 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.411 -0.178 17849 3778 1 6 . 1 1 56 56 ASP H H 56 8.329 8.329 7.751 0.578 17849 3779 1 6 . 1 1 57 57 VAL N N 57 126.262 126.262 123.095 3.167 17849 3780 1 6 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.004 0.002 17849 3781 1 6 . 1 1 57 57 VAL C C 57 177.253 177.253 176.898 0.355 17849 3782 1 6 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.536 0.689 17849 3783 1 6 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.388 0.798 17849 3784 1 6 . 1 1 57 57 VAL H H 57 8.116 8.116 8.522 -0.406 17849 3785 1 6 . 1 1 58 58 ASP N N 58 116.896 116.896 118.838 -1.942 17849 3786 1 6 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.616 -0.044 17849 3787 1 6 . 1 1 58 58 ASP C C 58 177.670 177.670 176.669 1.001 17849 3788 1 6 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.959 -0.154 17849 3789 1 6 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.333 -1.340 17849 3790 1 6 . 1 1 58 58 ASP H H 58 8.356 8.356 8.222 0.134 17849 3791 1 6 . 1 1 59 59 GLY N N 59 107.989 107.989 108.565 -0.576 17849 3792 1 6 . 1 1 59 59 GLY C C 59 174.661 174.661 174.596 0.065 17849 3793 1 6 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.246 1.833 17849 3794 1 6 . 1 1 59 59 GLY H H 59 7.622 7.622 8.138 -0.516 17849 3795 1 6 . 1 1 60 60 ASN N N 60 118.703 118.703 118.313 0.390 17849 3796 1 6 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.482 0.060 17849 3797 1 6 . 1 1 60 60 ASN C C 60 175.787 175.787 174.367 1.420 17849 3798 1 6 . 1 1 60 60 ASN CA C 60 52.283 52.283 51.942 0.341 17849 3799 1 6 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.154 -1.970 17849 3800 1 6 . 1 1 60 60 ASN H H 60 8.096 8.096 8.062 0.034 17849 3801 1 6 . 1 1 61 61 HIS N N 61 117.475 117.475 115.015 2.460 17849 3802 1 6 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.412 -0.544 17849 3803 1 6 . 1 1 61 61 HIS C C 61 172.407 172.407 173.292 -0.885 17849 3804 1 6 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.001 -0.573 17849 3805 1 6 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.641 0.332 17849 3806 1 6 . 1 1 61 61 HIS H H 61 9.998 9.998 8.356 1.642 17849 3807 1 6 . 1 1 62 62 GLN N N 62 112.629 112.629 116.202 -3.573 17849 3808 1 6 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.440 -0.631 17849 3809 1 6 . 1 1 62 62 GLN C C 62 174.654 174.654 174.631 0.023 17849 3810 1 6 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.355 -0.547 17849 3811 1 6 . 1 1 62 62 GLN CB C 62 32.125 32.125 33.252 -1.127 17849 3812 1 6 . 1 1 62 62 GLN H H 62 7.541 7.541 8.840 -1.299 17849 3813 1 6 . 1 1 63 63 ILE N N 63 123.800 123.800 124.562 -0.762 17849 3814 1 6 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.735 0.311 17849 3815 1 6 . 1 1 63 63 ILE C C 63 176.626 176.626 176.079 0.547 17849 3816 1 6 . 1 1 63 63 ILE CA C 63 59.893 59.893 57.927 1.966 17849 3817 1 6 . 1 1 63 63 ILE CB C 63 39.180 39.180 38.295 0.885 17849 3818 1 6 . 1 1 63 63 ILE H H 63 9.312 9.312 8.635 0.677 17849 3819 1 6 . 1 1 64 64 GLU N N 64 128.941 128.941 126.603 2.338 17849 3820 1 6 . 1 1 64 64 GLU HA H 64 4.976 4.976 5.148 -0.172 17849 3821 1 6 . 1 1 64 64 GLU C C 64 178.001 178.001 177.768 0.233 17849 3822 1 6 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.353 3.367 17849 3823 1 6 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.489 -1.261 17849 3824 1 6 . 1 1 64 64 GLU H H 64 8.846 8.846 8.676 0.170 17849 3825 1 6 . 1 1 65 65 PHE N N 65 124.119 124.119 122.714 1.405 17849 3826 1 6 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.021 -0.495 17849 3827 1 6 . 1 1 65 65 PHE C C 65 176.981 176.981 176.855 0.126 17849 3828 1 6 . 1 1 65 65 PHE CA C 65 62.264 62.264 62.090 0.174 17849 3829 1 6 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.283 -1.459 17849 3830 1 6 . 1 1 65 65 PHE H H 65 9.488 9.488 9.067 0.421 17849 3831 1 6 . 1 1 66 66 SER N N 66 112.445 112.445 114.665 -2.220 17849 3832 1 6 . 1 1 66 66 SER HA H 66 3.667 3.667 4.231 -0.564 17849 3833 1 6 . 1 1 66 66 SER C C 66 177.385 177.385 176.207 1.178 17849 3834 1 6 . 1 1 66 66 SER CA C 66 61.503 61.503 60.981 0.522 17849 3835 1 6 . 1 1 66 66 SER CB C 66 61.285 61.285 62.792 -1.507 17849 3836 1 6 . 1 1 66 66 SER H H 66 8.972 8.972 8.491 0.481 17849 3837 1 6 . 1 1 67 67 GLU N N 67 122.775 122.775 123.151 -0.376 17849 3838 1 6 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.035 0.085 17849 3839 1 6 . 1 1 67 67 GLU C C 67 178.567 178.567 179.275 -0.708 17849 3840 1 6 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.055 -1.212 17849 3841 1 6 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.603 -0.354 17849 3842 1 6 . 1 1 67 67 GLU H H 67 6.799 6.799 7.835 -1.036 17849 3843 1 6 . 1 1 68 68 PHE N N 68 123.231 123.231 120.657 2.574 17849 3844 1 6 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.113 -0.282 17849 3845 1 6 . 1 1 68 68 PHE C C 68 175.936 175.936 177.524 -1.588 17849 3846 1 6 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.132 -0.015 17849 3847 1 6 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.098 1.117 17849 3848 1 6 . 1 1 68 68 PHE H H 68 8.176 8.176 8.933 -0.757 17849 3849 1 6 . 1 1 69 69 LEU N N 69 118.554 118.554 117.109 1.445 17849 3850 1 6 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.648 -0.482 17849 3851 1 6 . 1 1 69 69 LEU C C 69 179.074 179.074 177.354 1.720 17849 3852 1 6 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.798 0.334 17849 3853 1 6 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.146 0.120 17849 3854 1 6 . 1 1 69 69 LEU H H 69 8.626 8.626 7.587 1.039 17849 3855 1 6 . 1 1 70 70 ALA N N 70 120.878 120.878 119.170 1.708 17849 3856 1 6 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.157 -0.272 17849 3857 1 6 . 1 1 70 70 ALA C C 70 179.914 179.914 178.673 1.241 17849 3858 1 6 . 1 1 70 70 ALA CA C 70 54.970 54.970 53.631 1.339 17849 3859 1 6 . 1 1 70 70 ALA CB C 70 17.777 17.777 19.220 -1.442 17849 3860 1 6 . 1 1 70 70 ALA H H 70 7.322 7.322 7.618 -0.296 17849 3861 1 6 . 1 1 71 71 LEU N N 71 118.871 118.871 118.114 0.757 17849 3862 1 6 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.817 0.111 17849 3863 1 6 . 1 1 71 71 LEU C C 71 178.009 178.009 178.355 -0.346 17849 3864 1 6 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.714 0.030 17849 3865 1 6 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.142 0.270 17849 3866 1 6 . 1 1 71 71 LEU H H 71 7.219 7.219 7.666 -0.447 17849 3867 1 6 . 1 1 72 72 MET N N 72 113.480 113.480 115.606 -2.126 17849 3868 1 6 . 1 1 72 72 MET HA H 72 4.165 4.165 3.995 0.170 17849 3869 1 6 . 1 1 72 72 MET CA C 72 55.413 55.413 57.807 -2.394 17849 3870 1 6 . 1 1 72 72 MET CB C 72 31.199 31.199 32.435 -1.236 17849 3871 1 6 . 1 1 72 72 MET H H 72 7.486 7.486 7.287 0.199 17849 3872 1 6 . 1 1 73 73 SER HA H 73 4.337 4.337 4.522 -0.185 17849 3873 1 6 . 1 1 73 73 SER C C 73 174.241 174.241 175.123 -0.882 17849 3874 1 6 . 1 1 73 73 SER CA C 73 59.132 59.132 58.095 1.037 17849 3875 1 6 . 1 1 73 73 SER CB C 73 63.649 63.649 64.021 -0.372 17849 3876 1 6 . 1 1 73 73 SER H H 73 7.699 7.699 7.254 0.445 17849 3877 1 6 . 1 1 74 74 ARG N N 74 121.213 121.213 120.544 0.669 17849 3878 1 6 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.929 0.282 17849 3879 1 6 . 1 1 74 74 ARG C C 74 175.638 175.638 176.639 -1.001 17849 3880 1 6 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.289 -1.439 17849 3881 1 6 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.357 1.315 17849 3882 1 6 . 1 1 74 74 ARG H H 74 7.400 7.400 7.521 -0.121 17849 3883 1 6 . 1 1 75 75 GLN N N 75 118.914 118.914 119.632 -0.718 17849 3884 1 6 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.530 0.785 17849 3885 1 6 . 1 1 75 75 GLN H H 75 8.090 8.090 7.926 0.164 17849 3886 1 6 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.189 0.198 17849 3887 1 6 . 1 1 77 77 LYS C C 77 176.410 176.410 177.106 -0.696 17849 3888 1 6 . 1 1 77 77 LYS CA C 77 56.042 56.042 57.773 -1.730 17849 3889 1 6 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.751 0.406 17849 3890 1 6 . 1 1 78 78 SER N N 78 116.257 116.257 113.333 2.924 17849 3891 1 6 . 1 1 78 78 SER HA H 78 4.422 4.422 4.281 0.141 17849 3892 1 6 . 1 1 78 78 SER C C 78 174.436 174.436 174.032 0.404 17849 3893 1 6 . 1 1 78 78 SER CA C 78 58.366 58.366 59.187 -0.821 17849 3894 1 6 . 1 1 78 78 SER CB C 78 63.855 63.855 63.444 0.411 17849 3895 1 6 . 1 1 78 78 SER H H 78 8.332 8.332 8.147 0.185 17849 3896 1 6 . 1 1 79 79 ASN N N 79 120.267 120.267 118.555 1.712 17849 3897 1 6 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.568 0.159 17849 3898 1 6 . 1 1 79 79 ASN C C 79 174.966 174.966 175.085 -0.119 17849 3899 1 6 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.325 0.142 17849 3900 1 6 . 1 1 79 79 ASN CB C 79 38.869 38.869 36.635 2.234 17849 3901 1 6 . 1 1 79 79 ASN H H 79 8.548 8.548 8.651 -0.103 17849 3902 1 6 . 1 1 80 80 ASP N N 80 119.659 119.659 120.867 -1.208 17849 3903 1 6 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.190 0.427 17849 3904 1 6 . 1 1 80 80 ASP C C 80 176.412 176.412 177.747 -1.335 17849 3905 1 6 . 1 1 80 80 ASP CA C 80 54.710 54.710 56.953 -2.243 17849 3906 1 6 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.830 0.393 17849 3907 1 6 . 1 1 80 80 ASP H H 80 8.325 8.325 8.685 -0.360 17849 3908 1 6 . 1 1 81 81 SER N N 81 115.425 115.425 113.552 1.873 17849 3909 1 6 . 1 1 81 81 SER HA H 81 4.414 4.414 4.192 0.222 17849 3910 1 6 . 1 1 81 81 SER C C 81 174.733 174.733 177.018 -2.285 17849 3911 1 6 . 1 1 81 81 SER CA C 81 59.183 59.183 61.191 -2.008 17849 3912 1 6 . 1 1 81 81 SER CB C 81 63.784 63.784 62.799 0.985 17849 3913 1 6 . 1 1 81 81 SER H H 81 8.256 8.256 8.034 0.222 17849 3914 1 6 . 1 1 82 82 GLU N N 82 121.456 121.456 122.235 -0.779 17849 3915 1 6 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.029 0.294 17849 3916 1 6 . 1 1 82 82 GLU C C 82 176.385 176.385 178.985 -2.600 17849 3917 1 6 . 1 1 82 82 GLU CA C 82 56.728 56.728 58.732 -2.004 17849 3918 1 6 . 1 1 82 82 GLU CB C 82 29.872 29.872 28.880 0.992 17849 3919 1 6 . 1 1 82 82 GLU H H 82 8.375 8.375 8.196 0.179 17849 3920 1 6 . 1 1 83 83 GLN N N 83 120.069 120.069 116.213 3.856 17849 3921 1 6 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.142 0.163 17849 3922 1 6 . 1 1 83 83 GLN C C 83 176.054 176.054 176.891 -0.837 17849 3923 1 6 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.836 -1.689 17849 3924 1 6 . 1 1 83 83 GLN CB C 83 29.303 29.303 28.523 0.780 17849 3925 1 6 . 1 1 83 83 GLN H H 83 8.233 8.233 7.544 0.689 17849 3926 1 6 . 1 1 84 84 GLU N N 84 122.390 122.390 116.761 5.629 17849 3927 1 6 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.402 -0.111 17849 3928 1 6 . 1 1 84 84 GLU C C 84 177.528 177.528 177.026 0.502 17849 3929 1 6 . 1 1 84 84 GLU CA C 84 57.198 57.198 56.763 0.435 17849 3930 1 6 . 1 1 84 84 GLU CB C 84 30.113 30.113 30.250 -0.137 17849 3931 1 6 . 1 1 84 84 GLU H H 84 8.567 8.567 7.955 0.612 17849 3932 1 6 . 1 1 85 85 LEU N N 85 122.788 122.788 120.912 1.876 17849 3933 1 6 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.235 -0.040 17849 3934 1 6 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.429 -0.913 17849 3935 1 6 . 1 1 85 85 LEU CB C 85 42.416 42.416 42.290 0.126 17849 3936 1 6 . 1 1 85 85 LEU H H 85 8.434 8.434 7.927 0.507 17849 3937 1 6 . 1 1 86 86 LEU N N 86 119.558 119.558 118.015 1.543 17849 3938 1 6 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.999 0.158 17849 3939 1 6 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.061 -1.942 17849 3940 1 6 . 1 1 86 86 LEU CB C 86 41.558 41.558 40.780 0.778 17849 3941 1 6 . 1 1 86 86 LEU H H 86 8.037 8.037 7.868 0.169 17849 3942 1 6 . 1 1 87 87 GLU N N 87 121.323 121.323 117.555 3.768 17849 3943 1 6 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.954 -0.031 17849 3944 1 6 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.575 -0.028 17849 3945 1 6 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.186 0.157 17849 3946 1 6 . 1 1 87 87 GLU H H 87 8.192 8.192 8.086 0.106 17849 3947 1 6 . 1 1 88 88 ALA N N 88 119.942 119.942 120.667 -0.725 17849 3948 1 6 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.442 -0.366 17849 3949 1 6 . 1 1 88 88 ALA C C 88 178.281 178.281 178.523 -0.242 17849 3950 1 6 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.700 0.780 17849 3951 1 6 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.655 -0.845 17849 3952 1 6 . 1 1 88 88 ALA H H 88 8.363 8.363 8.421 -0.058 17849 3953 1 6 . 1 1 89 89 PHE N N 89 111.807 111.807 118.614 -6.807 17849 3954 1 6 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.853 -0.364 17849 3955 1 6 . 1 1 89 89 PHE C C 89 176.632 176.632 176.279 0.353 17849 3956 1 6 . 1 1 89 89 PHE CA C 89 58.478 58.478 58.421 0.057 17849 3957 1 6 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.996 -0.354 17849 3958 1 6 . 1 1 89 89 PHE H H 89 7.855 7.855 7.957 -0.102 17849 3959 1 6 . 1 1 90 90 LYS N N 90 120.375 120.375 121.601 -1.226 17849 3960 1 6 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.331 -0.333 17849 3961 1 6 . 1 1 90 90 LYS C C 90 178.490 178.490 178.346 0.144 17849 3962 1 6 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.891 2.103 17849 3963 1 6 . 1 1 90 90 LYS CB C 90 31.914 31.914 31.964 -0.050 17849 3964 1 6 . 1 1 90 90 LYS H H 90 7.957 7.957 7.879 0.078 17849 3965 1 6 . 1 1 91 91 VAL N N 91 116.643 116.643 118.695 -2.052 17849 3966 1 6 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.617 0.257 17849 3967 1 6 . 1 1 91 91 VAL C C 91 175.413 175.413 177.149 -1.736 17849 3968 1 6 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.902 -2.209 17849 3969 1 6 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.325 -0.091 17849 3970 1 6 . 1 1 91 91 VAL H H 91 7.389 7.389 7.244 0.145 17849 3971 1 6 . 1 1 92 92 PHE N N 92 115.769 115.769 114.004 1.765 17849 3972 1 6 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.298 0.222 17849 3973 1 6 . 1 1 92 92 PHE CA C 92 59.175 59.175 59.900 -0.725 17849 3974 1 6 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.730 1.504 17849 3975 1 6 . 1 1 92 92 PHE H H 92 7.534 7.534 7.755 -0.221 17849 3976 1 6 . 1 1 93 93 ASP N N 93 115.397 115.397 119.169 -3.772 17849 3977 1 6 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.188 -0.330 17849 3978 1 6 . 1 1 93 93 ASP C C 93 177.421 177.421 176.462 0.959 17849 3979 1 6 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.398 -0.932 17849 3980 1 6 . 1 1 93 93 ASP CB C 93 38.980 38.980 41.040 -2.060 17849 3981 1 6 . 1 1 93 93 ASP H H 93 7.543 7.543 8.047 -0.504 17849 3982 1 6 . 1 1 94 94 LYS N N 94 125.591 125.591 124.189 1.402 17849 3983 1 6 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.306 -0.227 17849 3984 1 6 . 1 1 94 94 LYS C C 94 177.856 177.856 177.249 0.607 17849 3985 1 6 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.232 0.698 17849 3986 1 6 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.809 -0.415 17849 3987 1 6 . 1 1 94 94 LYS H H 94 7.873 7.873 8.469 -0.596 17849 3988 1 6 . 1 1 95 95 ASN N N 95 112.796 112.796 116.877 -4.081 17849 3989 1 6 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.728 0.069 17849 3990 1 6 . 1 1 95 95 ASN C C 95 176.619 176.619 175.531 1.088 17849 3991 1 6 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.565 -0.655 17849 3992 1 6 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.916 -0.640 17849 3993 1 6 . 1 1 95 95 ASN H H 95 8.272 8.272 7.966 0.306 17849 3994 1 6 . 1 1 96 96 GLY N N 96 109.132 109.132 108.870 0.262 17849 3995 1 6 . 1 1 96 96 GLY C C 96 174.799 174.799 174.333 0.466 17849 3996 1 6 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.326 1.245 17849 3997 1 6 . 1 1 96 96 GLY H H 96 7.654 7.654 7.769 -0.115 17849 3998 1 6 . 1 1 97 97 ASP N N 97 118.796 118.796 121.231 -2.435 17849 3999 1 6 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.699 -0.169 17849 4000 1 6 . 1 1 97 97 ASP C C 97 177.137 177.137 177.620 -0.483 17849 4001 1 6 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.866 -0.474 17849 4002 1 6 . 1 1 97 97 ASP CB C 97 40.389 40.389 42.006 -1.617 17849 4003 1 6 . 1 1 97 97 ASP H H 97 8.090 8.090 8.725 -0.635 17849 4004 1 6 . 1 1 98 98 GLY N N 98 112.962 112.962 106.957 6.005 17849 4005 1 6 . 1 1 98 98 GLY C C 98 172.142 172.142 173.829 -1.687 17849 4006 1 6 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.329 0.395 17849 4007 1 6 . 1 1 98 98 GLY H H 98 10.329 10.329 8.561 1.768 17849 4008 1 6 . 1 1 99 99 LEU N N 99 119.691 119.691 123.362 -3.671 17849 4009 1 6 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.561 0.201 17849 4010 1 6 . 1 1 99 99 LEU C C 99 176.162 176.162 175.463 0.699 17849 4011 1 6 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.932 -1.108 17849 4012 1 6 . 1 1 99 99 LEU CB C 99 44.782 44.782 43.410 1.371 17849 4013 1 6 . 1 1 99 99 LEU H H 99 8.000 8.000 7.940 0.060 17849 4014 1 6 . 1 1 100 100 ILE N N 100 127.464 127.464 119.830 7.634 17849 4015 1 6 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.521 0.153 17849 4016 1 6 . 1 1 100 100 ILE C C 100 175.006 175.006 174.373 0.633 17849 4017 1 6 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.913 1.507 17849 4018 1 6 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.505 -2.694 17849 4019 1 6 . 1 1 100 100 ILE H H 100 9.491 9.491 8.201 1.290 17849 4020 1 6 . 1 1 101 101 SER N N 101 123.104 123.104 117.375 5.729 17849 4021 1 6 . 1 1 101 101 SER HA H 101 4.770 4.770 4.823 -0.053 17849 4022 1 6 . 1 1 101 101 SER C C 101 174.847 174.847 175.401 -0.554 17849 4023 1 6 . 1 1 101 101 SER CA C 101 55.854 55.854 56.847 -0.993 17849 4024 1 6 . 1 1 101 101 SER CB C 101 65.994 65.994 66.243 -0.249 17849 4025 1 6 . 1 1 101 101 SER H H 101 9.058 9.058 8.215 0.843 17849 4026 1 6 . 1 1 102 102 ALA N N 102 124.316 124.316 124.158 0.158 17849 4027 1 6 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.264 -0.648 17849 4028 1 6 . 1 1 102 102 ALA C C 102 179.388 179.388 179.078 0.310 17849 4029 1 6 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.674 0.050 17849 4030 1 6 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.626 -1.311 17849 4031 1 6 . 1 1 102 102 ALA H H 102 8.587 8.587 8.746 -0.159 17849 4032 1 6 . 1 1 103 103 ALA N N 103 118.346 118.346 121.103 -2.757 17849 4033 1 6 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.780 0.220 17849 4034 1 6 . 1 1 103 103 ALA C C 103 181.188 181.188 179.239 1.949 17849 4035 1 6 . 1 1 103 103 ALA CA C 103 55.058 55.058 55.472 -0.414 17849 4036 1 6 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.738 0.651 17849 4037 1 6 . 1 1 103 103 ALA H H 103 8.266 8.266 8.673 -0.407 17849 4038 1 6 . 1 1 104 104 GLU N N 104 120.568 120.568 117.889 2.679 17849 4039 1 6 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.172 -0.116 17849 4040 1 6 . 1 1 104 104 GLU C C 104 178.762 178.762 178.726 0.036 17849 4041 1 6 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.054 0.914 17849 4042 1 6 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.565 -0.654 17849 4043 1 6 . 1 1 104 104 GLU H H 104 7.928 7.928 8.468 -0.540 17849 4044 1 6 . 1 1 105 105 LEU N N 105 117.903 117.903 118.082 -0.179 17849 4045 1 6 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.455 -0.426 17849 4046 1 6 . 1 1 105 105 LEU C C 105 178.497 178.497 177.811 0.686 17849 4047 1 6 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.629 1.824 17849 4048 1 6 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.127 1.065 17849 4049 1 6 . 1 1 105 105 LEU H H 105 7.926 7.926 8.002 -0.076 17849 4050 1 6 . 1 1 106 106 LYS N N 106 115.836 115.836 119.528 -3.692 17849 4051 1 6 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.225 -0.426 17849 4052 1 6 . 1 1 106 106 LYS C C 106 179.102 179.102 178.859 0.243 17849 4053 1 6 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.026 1.146 17849 4054 1 6 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.789 -0.179 17849 4055 1 6 . 1 1 106 106 LYS H H 106 8.337 8.337 8.034 0.303 17849 4056 1 6 . 1 1 107 107 HIS N N 107 119.620 119.620 118.714 0.906 17849 4057 1 6 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.413 -0.159 17849 4058 1 6 . 1 1 107 107 HIS C C 107 178.167 178.167 178.049 0.118 17849 4059 1 6 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.611 1.317 17849 4060 1 6 . 1 1 107 107 HIS CB C 107 30.584 30.584 29.846 0.738 17849 4061 1 6 . 1 1 107 107 HIS H H 107 8.502 8.502 8.179 0.323 17849 4062 1 6 . 1 1 108 108 VAL N N 108 118.595 118.595 122.222 -3.627 17849 4063 1 6 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.775 -0.119 17849 4064 1 6 . 1 1 108 108 VAL C C 108 178.608 178.608 177.220 1.388 17849 4065 1 6 . 1 1 108 108 VAL CA C 108 66.356 66.356 66.201 0.155 17849 4066 1 6 . 1 1 108 108 VAL CB C 108 32.315 32.315 32.083 0.232 17849 4067 1 6 . 1 1 108 108 VAL H H 108 8.348 8.348 7.920 0.428 17849 4068 1 6 . 1 1 109 109 LEU N N 109 116.755 116.755 118.056 -1.301 17849 4069 1 6 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.064 0.080 17849 4070 1 6 . 1 1 109 109 LEU C C 109 179.267 179.267 177.833 1.434 17849 4071 1 6 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.542 -0.088 17849 4072 1 6 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.621 0.482 17849 4073 1 6 . 1 1 109 109 LEU H H 109 8.251 8.251 7.789 0.462 17849 4074 1 6 . 1 1 110 110 THR N N 110 111.046 111.046 112.267 -1.221 17849 4075 1 6 . 1 1 110 110 THR HA H 110 4.256 4.256 4.322 -0.066 17849 4076 1 6 . 1 1 110 110 THR C C 110 175.897 175.897 175.106 0.791 17849 4077 1 6 . 1 1 110 110 THR CA C 110 64.465 64.465 63.360 1.105 17849 4078 1 6 . 1 1 110 110 THR CB C 110 69.431 69.431 69.148 0.283 17849 4079 1 6 . 1 1 110 110 THR H H 110 8.085 8.085 7.906 0.179 17849 4080 1 6 . 1 1 111 111 SER N N 111 117.074 117.074 118.755 -1.681 17849 4081 1 6 . 1 1 111 111 SER HA H 111 4.406 4.406 4.242 0.164 17849 4082 1 6 . 1 1 111 111 SER C C 111 175.051 175.051 175.518 -0.467 17849 4083 1 6 . 1 1 111 111 SER CA C 111 59.968 59.968 61.174 -1.206 17849 4084 1 6 . 1 1 111 111 SER CB C 111 63.391 63.391 63.733 -0.341 17849 4085 1 6 . 1 1 111 111 SER H H 111 7.681 7.681 7.901 -0.220 17849 4086 1 6 . 1 1 112 112 ILE N N 112 119.783 119.783 115.431 4.352 17849 4087 1 6 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.848 0.243 17849 4088 1 6 . 1 1 112 112 ILE C C 112 177.040 177.040 175.476 1.564 17849 4089 1 6 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.582 0.942 17849 4090 1 6 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.146 3.198 17849 4091 1 6 . 1 1 112 112 ILE H H 112 7.444 7.444 7.663 -0.219 17849 4092 1 6 . 1 1 113 113 GLY N N 113 110.432 110.432 108.930 1.502 17849 4093 1 6 . 1 1 113 113 GLY C C 113 174.442 174.442 174.275 0.167 17849 4094 1 6 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.188 0.456 17849 4095 1 6 . 1 1 113 113 GLY H H 113 8.148 8.148 7.643 0.505 17849 4096 1 6 . 1 1 114 114 GLU N N 114 120.374 120.374 124.876 -4.502 17849 4097 1 6 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.241 0.025 17849 4098 1 6 . 1 1 114 114 GLU C C 114 176.556 176.556 176.900 -0.344 17849 4099 1 6 . 1 1 114 114 GLU CA C 114 56.773 56.773 55.983 0.790 17849 4100 1 6 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.005 0.285 17849 4101 1 6 . 1 1 114 114 GLU H H 114 8.092 8.092 8.538 -0.446 17849 4102 1 6 . 1 1 115 115 LYS N N 115 121.383 121.383 121.328 0.055 17849 4103 1 6 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.103 0.232 17849 4104 1 6 . 1 1 115 115 LYS C C 115 176.654 176.654 175.485 1.169 17849 4105 1 6 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.937 -0.638 17849 4106 1 6 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.111 0.728 17849 4107 1 6 . 1 1 115 115 LYS H H 115 8.221 8.221 8.275 -0.054 17849 4108 1 6 . 1 1 116 116 LEU N N 116 123.146 123.146 119.776 3.370 17849 4109 1 6 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.716 -0.295 17849 4110 1 6 . 1 1 116 116 LEU C C 116 177.677 177.677 174.716 2.961 17849 4111 1 6 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.665 0.655 17849 4112 1 6 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.975 -1.667 17849 4113 1 6 . 1 1 116 116 LEU H H 116 8.265 8.265 7.942 0.323 17849 4114 1 6 . 1 1 117 117 THR N N 117 113.859 113.859 110.360 3.499 17849 4115 1 6 . 1 1 117 117 THR HA H 117 4.337 4.337 4.517 -0.180 17849 4116 1 6 . 1 1 117 117 THR C C 117 174.535 174.535 173.670 0.865 17849 4117 1 6 . 1 1 117 117 THR CA C 117 61.824 61.824 61.136 0.688 17849 4118 1 6 . 1 1 117 117 THR CB C 117 70.096 70.096 71.397 -1.301 17849 4119 1 6 . 1 1 117 117 THR H H 117 8.182 8.182 8.088 0.094 17849 4120 1 6 . 1 1 118 118 ASP N N 118 122.049 122.049 119.740 2.309 17849 4121 1 6 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.768 -0.235 17849 4122 1 6 . 1 1 118 118 ASP C C 118 176.728 176.728 177.023 -0.295 17849 4123 1 6 . 1 1 118 118 ASP CA C 118 55.218 55.218 56.738 -1.520 17849 4124 1 6 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.231 -0.379 17849 4125 1 6 . 1 1 118 118 ASP H H 118 8.367 8.367 8.595 -0.228 17849 4126 1 6 . 1 1 119 119 ALA N N 119 123.432 123.432 120.374 3.058 17849 4127 1 6 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.437 -0.218 17849 4128 1 6 . 1 1 119 119 ALA C C 119 178.486 178.486 177.055 1.431 17849 4129 1 6 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.655 0.778 17849 4130 1 6 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.032 1.043 17849 4131 1 6 . 1 1 119 119 ALA H H 119 8.206 8.206 7.761 0.445 17849 4132 1 6 . 1 1 120 120 GLU N N 120 118.592 118.592 117.596 0.996 17849 4133 1 6 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.401 -0.219 17849 4134 1 6 . 1 1 120 120 GLU C C 120 177.133 177.133 176.341 0.792 17849 4135 1 6 . 1 1 120 120 GLU CA C 120 57.105 57.105 57.324 -0.219 17849 4136 1 6 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.893 0.159 17849 4137 1 6 . 1 1 120 120 GLU H H 120 8.187 8.187 8.134 0.053 17849 4138 1 6 . 1 1 121 121 LEU N N 121 121.427 121.427 119.674 1.753 17849 4139 1 6 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.575 -0.371 17849 4140 1 6 . 1 1 121 121 LEU C C 121 177.710 177.710 178.448 -0.738 17849 4141 1 6 . 1 1 121 121 LEU CA C 121 55.752 55.752 57.301 -1.549 17849 4142 1 6 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.839 -0.581 17849 4143 1 6 . 1 1 121 121 LEU H H 121 8.020 8.020 7.548 0.472 17849 4144 1 6 . 1 1 122 122 GLU N N 122 119.850 119.850 119.736 0.114 17849 4145 1 6 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.019 0.108 17849 4146 1 6 . 1 1 122 122 GLU C C 122 176.518 176.518 176.572 -0.054 17849 4147 1 6 . 1 1 122 122 GLU CA C 122 57.014 57.014 58.980 -1.966 17849 4148 1 6 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.812 0.244 17849 4149 1 6 . 1 1 122 122 GLU H H 122 8.118 8.118 8.075 0.043 17849 4150 1 6 . 1 1 123 123 HIS N N 123 118.817 118.817 114.688 4.129 17849 4151 1 6 . 1 1 123 123 HIS CA C 123 56.259 56.259 57.212 -0.953 17849 4152 1 6 . 1 1 123 123 HIS H H 123 8.106 8.106 8.386 -0.280 17849 4153 1 7 . 1 1 2 2 SER HA H 2 4.507 4.507 4.770 -0.263 17849 4154 1 7 . 1 1 2 2 SER CA C 2 58.342 58.342 57.921 0.421 17849 4155 1 7 . 1 1 2 2 SER CB C 2 63.883 63.883 64.114 -0.231 17849 4156 1 7 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.981 -0.217 17849 4157 1 7 . 1 1 3 3 ASN C C 3 174.784 174.784 175.177 -0.393 17849 4158 1 7 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.490 0.635 17849 4159 1 7 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.153 -0.260 17849 4160 1 7 . 1 1 4 4 LEU N N 4 121.466 121.466 121.278 0.188 17849 4161 1 7 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.456 0.244 17849 4162 1 7 . 1 1 4 4 LEU C C 4 177.665 177.665 176.661 1.004 17849 4163 1 7 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.677 -1.165 17849 4164 1 7 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.343 1.296 17849 4165 1 7 . 1 1 4 4 LEU H H 4 8.097 8.097 8.573 -0.476 17849 4166 1 7 . 1 1 5 5 THR N N 5 112.990 112.990 115.172 -2.182 17849 4167 1 7 . 1 1 5 5 THR HA H 5 4.481 4.481 4.638 -0.157 17849 4168 1 7 . 1 1 5 5 THR C C 5 175.474 175.474 175.062 0.412 17849 4169 1 7 . 1 1 5 5 THR CA C 5 60.528 60.528 59.804 0.724 17849 4170 1 7 . 1 1 5 5 THR CB C 5 71.244 71.244 71.491 -0.247 17849 4171 1 7 . 1 1 5 5 THR H H 5 8.778 8.778 7.790 0.988 17849 4172 1 7 . 1 1 6 6 GLU N N 6 120.343 120.343 120.254 0.089 17849 4173 1 7 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.861 0.141 17849 4174 1 7 . 1 1 6 6 GLU C C 6 179.568 179.568 178.568 1.000 17849 4175 1 7 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.034 0.142 17849 4176 1 7 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.211 0.014 17849 4177 1 7 . 1 1 6 6 GLU H H 6 9.078 9.078 8.913 0.165 17849 4178 1 7 . 1 1 7 7 GLU N N 7 119.544 119.544 119.755 -0.211 17849 4179 1 7 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.924 0.187 17849 4180 1 7 . 1 1 7 7 GLU C C 7 179.170 179.170 179.008 0.162 17849 4181 1 7 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.634 1.403 17849 4182 1 7 . 1 1 7 7 GLU CB C 7 29.117 29.117 28.875 0.242 17849 4183 1 7 . 1 1 7 7 GLU H H 7 8.820 8.820 7.640 1.180 17849 4184 1 7 . 1 1 8 8 GLN N N 8 119.824 119.824 118.478 1.346 17849 4185 1 7 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.775 0.389 17849 4186 1 7 . 1 1 8 8 GLN C C 8 179.652 179.652 178.153 1.499 17849 4187 1 7 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.207 0.545 17849 4188 1 7 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.398 1.341 17849 4189 1 7 . 1 1 8 8 GLN H H 8 7.812 7.812 7.424 0.388 17849 4190 1 7 . 1 1 9 9 ILE N N 9 120.978 120.978 120.138 0.840 17849 4191 1 7 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.134 0.718 17849 4192 1 7 . 1 1 9 9 ILE C C 9 177.899 177.899 177.866 0.033 17849 4193 1 7 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.306 1.270 17849 4194 1 7 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.478 0.511 17849 4195 1 7 . 1 1 9 9 ILE H H 9 8.634 8.634 8.360 0.274 17849 4196 1 7 . 1 1 10 10 ALA N N 10 121.528 121.528 120.828 0.700 17849 4197 1 7 . 1 1 10 10 ALA HA H 10 4.106 4.106 3.901 0.205 17849 4198 1 7 . 1 1 10 10 ALA C C 10 180.886 180.886 179.921 0.965 17849 4199 1 7 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.463 -0.045 17849 4200 1 7 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.860 -0.086 17849 4201 1 7 . 1 1 10 10 ALA H H 10 8.142 8.142 8.258 -0.116 17849 4202 1 7 . 1 1 11 11 GLU N N 11 118.807 118.807 118.476 0.331 17849 4203 1 7 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.151 0.063 17849 4204 1 7 . 1 1 11 11 GLU C C 11 180.292 180.292 179.316 0.976 17849 4205 1 7 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.721 0.643 17849 4206 1 7 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.103 0.685 17849 4207 1 7 . 1 1 11 11 GLU H H 11 7.810 7.810 7.938 -0.128 17849 4208 1 7 . 1 1 12 12 PHE N N 12 118.671 118.671 119.273 -0.602 17849 4209 1 7 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.360 0.287 17849 4210 1 7 . 1 1 12 12 PHE C C 12 179.032 179.032 178.578 0.454 17849 4211 1 7 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.293 3.867 17849 4212 1 7 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.481 1.534 17849 4213 1 7 . 1 1 12 12 PHE H H 12 8.432 8.432 7.838 0.594 17849 4214 1 7 . 1 1 13 13 LYS N N 13 123.536 123.536 118.631 4.905 17849 4215 1 7 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.377 -0.537 17849 4216 1 7 . 1 1 13 13 LYS C C 13 179.114 179.114 178.708 0.406 17849 4217 1 7 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.626 0.462 17849 4218 1 7 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.107 -0.455 17849 4219 1 7 . 1 1 13 13 LYS H H 13 8.981 8.981 8.774 0.207 17849 4220 1 7 . 1 1 14 14 GLU N N 14 119.691 119.691 118.695 0.996 17849 4221 1 7 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.435 -0.338 17849 4222 1 7 . 1 1 14 14 GLU C C 14 179.285 179.285 178.348 0.937 17849 4223 1 7 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.288 0.957 17849 4224 1 7 . 1 1 14 14 GLU CB C 14 29.641 29.641 30.176 -0.535 17849 4225 1 7 . 1 1 14 14 GLU H H 14 7.737 7.737 8.181 -0.444 17849 4226 1 7 . 1 1 15 15 ALA N N 15 120.127 120.127 124.045 -3.918 17849 4227 1 7 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.184 -0.017 17849 4228 1 7 . 1 1 15 15 ALA C C 15 178.607 178.607 179.661 -1.054 17849 4229 1 7 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.505 -0.446 17849 4230 1 7 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.578 0.553 17849 4231 1 7 . 1 1 15 15 ALA H H 15 7.747 7.747 8.633 -0.886 17849 4232 1 7 . 1 1 16 16 PHE N N 16 119.058 119.058 118.566 0.492 17849 4233 1 7 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.821 -0.514 17849 4234 1 7 . 1 1 16 16 PHE C C 16 177.236 177.236 177.318 -0.082 17849 4235 1 7 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.115 0.590 17849 4236 1 7 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.877 0.875 17849 4237 1 7 . 1 1 16 16 PHE H H 16 8.908 8.908 8.828 0.080 17849 4238 1 7 . 1 1 17 17 ALA N N 17 119.352 119.352 121.643 -2.291 17849 4239 1 7 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.208 -0.085 17849 4240 1 7 . 1 1 17 17 ALA C C 17 178.680 178.680 178.698 -0.018 17849 4241 1 7 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.633 -0.094 17849 4242 1 7 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.709 -0.494 17849 4243 1 7 . 1 1 17 17 ALA H H 17 7.877 7.877 8.192 -0.315 17849 4244 1 7 . 1 1 18 18 LEU N N 18 115.281 115.281 118.166 -2.885 17849 4245 1 7 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.151 -0.096 17849 4246 1 7 . 1 1 18 18 LEU C C 18 178.393 178.393 178.412 -0.019 17849 4247 1 7 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.395 -0.753 17849 4248 1 7 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.854 -0.111 17849 4249 1 7 . 1 1 18 18 LEU H H 18 7.369 7.369 8.123 -0.754 17849 4250 1 7 . 1 1 19 19 PHE N N 19 115.719 115.719 114.942 0.777 17849 4251 1 7 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.378 -0.169 17849 4252 1 7 . 1 1 19 19 PHE C C 19 176.704 176.704 175.914 0.790 17849 4253 1 7 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.346 -0.113 17849 4254 1 7 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.914 1.756 17849 4255 1 7 . 1 1 19 19 PHE H H 19 7.468 7.468 7.734 -0.266 17849 4256 1 7 . 1 1 20 20 ASP N N 20 117.209 117.209 120.315 -3.106 17849 4257 1 7 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.664 -0.203 17849 4258 1 7 . 1 1 20 20 ASP C C 20 176.557 176.557 176.154 0.403 17849 4259 1 7 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.403 -2.158 17849 4260 1 7 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.154 -3.007 17849 4261 1 7 . 1 1 20 20 ASP H H 20 7.488 7.488 7.984 -0.496 17849 4262 1 7 . 1 1 21 21 LYS N N 21 124.086 124.086 124.512 -0.426 17849 4263 1 7 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.198 -0.200 17849 4264 1 7 . 1 1 21 21 LYS C C 21 177.844 177.844 177.637 0.207 17849 4265 1 7 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.998 0.309 17849 4266 1 7 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.837 -0.385 17849 4267 1 7 . 1 1 21 21 LYS H H 21 7.376 7.376 8.503 -1.127 17849 4268 1 7 . 1 1 22 22 ASP N N 22 114.097 114.097 115.927 -1.830 17849 4269 1 7 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.589 0.015 17849 4270 1 7 . 1 1 22 22 ASP C C 22 176.349 176.349 175.973 0.376 17849 4271 1 7 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.841 -1.138 17849 4272 1 7 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.646 -1.291 17849 4273 1 7 . 1 1 22 22 ASP H H 22 8.113 8.113 8.302 -0.189 17849 4274 1 7 . 1 1 23 23 ASN N N 23 115.562 115.562 116.802 -1.240 17849 4275 1 7 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.505 -0.110 17849 4276 1 7 . 1 1 23 23 ASN C C 23 174.864 174.864 174.738 0.126 17849 4277 1 7 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.013 0.388 17849 4278 1 7 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.000 0.924 17849 4279 1 7 . 1 1 23 23 ASN H H 23 8.048 8.048 8.789 -0.741 17849 4280 1 7 . 1 1 24 24 ASN N N 24 117.615 117.615 116.400 1.215 17849 4281 1 7 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.700 0.135 17849 4282 1 7 . 1 1 24 24 ASN C C 24 177.445 177.445 176.324 1.121 17849 4283 1 7 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.077 -0.662 17849 4284 1 7 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.319 -0.838 17849 4285 1 7 . 1 1 24 24 ASN H H 24 8.517 8.517 8.808 -0.291 17849 4286 1 7 . 1 1 25 25 GLY N N 25 114.308 114.308 108.740 5.568 17849 4287 1 7 . 1 1 25 25 GLY C C 25 173.105 173.105 173.292 -0.187 17849 4288 1 7 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.188 0.292 17849 4289 1 7 . 1 1 25 25 GLY H H 25 10.729 10.729 8.691 2.038 17849 4290 1 7 . 1 1 26 26 SER N N 26 113.267 113.267 116.504 -3.237 17849 4291 1 7 . 1 1 26 26 SER HA H 26 5.330 5.330 5.554 -0.224 17849 4292 1 7 . 1 1 26 26 SER C C 26 172.610 172.610 174.069 -1.459 17849 4293 1 7 . 1 1 26 26 SER CA C 26 57.375 57.375 56.845 0.530 17849 4294 1 7 . 1 1 26 26 SER CB C 26 66.504 66.504 65.068 1.436 17849 4295 1 7 . 1 1 26 26 SER H H 26 7.773 7.773 7.990 -0.217 17849 4296 1 7 . 1 1 27 27 ILE N N 27 127.124 127.124 124.859 2.265 17849 4297 1 7 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.366 0.522 17849 4298 1 7 . 1 1 27 27 ILE C C 27 175.876 175.876 175.737 0.139 17849 4299 1 7 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.729 -0.693 17849 4300 1 7 . 1 1 27 27 ILE CB C 27 38.896 38.896 39.888 -0.992 17849 4301 1 7 . 1 1 27 27 ILE H H 27 9.848 9.848 8.112 1.736 17849 4302 1 7 . 1 1 28 28 SER N N 28 124.825 124.825 118.475 6.350 17849 4303 1 7 . 1 1 28 28 SER HA H 28 4.771 4.771 4.879 -0.108 17849 4304 1 7 . 1 1 28 28 SER C C 28 175.395 175.395 175.599 -0.204 17849 4305 1 7 . 1 1 28 28 SER CA C 28 56.680 56.680 55.922 0.758 17849 4306 1 7 . 1 1 28 28 SER CB C 28 66.154 66.154 66.026 0.128 17849 4307 1 7 . 1 1 28 28 SER H H 28 9.347 9.347 8.241 1.106 17849 4308 1 7 . 1 1 29 29 SER N N 29 116.882 116.882 119.242 -2.360 17849 4309 1 7 . 1 1 29 29 SER HA H 29 4.144 4.144 4.042 0.102 17849 4310 1 7 . 1 1 29 29 SER C C 29 176.516 176.516 176.100 0.416 17849 4311 1 7 . 1 1 29 29 SER CA C 29 62.634 62.634 61.452 1.182 17849 4312 1 7 . 1 1 29 29 SER CB C 29 62.227 62.227 62.451 -0.224 17849 4313 1 7 . 1 1 29 29 SER H H 29 9.604 9.604 8.568 1.036 17849 4314 1 7 . 1 1 30 30 SER N N 30 116.141 116.141 118.536 -2.395 17849 4315 1 7 . 1 1 30 30 SER HA H 30 4.327 4.327 4.138 0.189 17849 4316 1 7 . 1 1 30 30 SER C C 30 177.965 177.965 176.514 1.451 17849 4317 1 7 . 1 1 30 30 SER CA C 30 61.341 61.341 60.900 0.441 17849 4318 1 7 . 1 1 30 30 SER CB C 30 62.429 62.429 62.932 -0.503 17849 4319 1 7 . 1 1 30 30 SER H H 30 8.184 8.184 8.102 0.082 17849 4320 1 7 . 1 1 31 31 GLU N N 31 124.933 124.933 122.713 2.220 17849 4321 1 7 . 1 1 31 31 GLU HA H 31 4.091 4.091 3.993 0.098 17849 4322 1 7 . 1 1 31 31 GLU C C 31 179.355 179.355 179.418 -0.063 17849 4323 1 7 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.959 0.483 17849 4324 1 7 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.462 -0.127 17849 4325 1 7 . 1 1 31 31 GLU H H 31 7.973 7.973 7.825 0.148 17849 4326 1 7 . 1 1 32 32 LEU N N 32 120.778 120.778 120.224 0.554 17849 4327 1 7 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.166 0.001 17849 4328 1 7 . 1 1 32 32 LEU C C 32 178.364 178.364 178.192 0.172 17849 4329 1 7 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.517 0.830 17849 4330 1 7 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.027 0.084 17849 4331 1 7 . 1 1 32 32 LEU H H 32 8.616 8.616 8.216 0.400 17849 4332 1 7 . 1 1 33 33 ALA N N 33 120.423 120.423 121.672 -1.249 17849 4333 1 7 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.923 -0.047 17849 4334 1 7 . 1 1 33 33 ALA C C 33 179.394 179.394 179.490 -0.096 17849 4335 1 7 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.404 0.384 17849 4336 1 7 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.021 0.496 17849 4337 1 7 . 1 1 33 33 ALA H H 33 8.688 8.688 8.476 0.212 17849 4338 1 7 . 1 1 34 34 THR N N 34 114.299 114.299 114.131 0.168 17849 4339 1 7 . 1 1 34 34 THR HA H 34 3.902 3.902 3.956 -0.054 17849 4340 1 7 . 1 1 34 34 THR C C 34 177.161 177.161 176.337 0.824 17849 4341 1 7 . 1 1 34 34 THR CA C 34 67.173 67.173 66.716 0.456 17849 4342 1 7 . 1 1 34 34 THR CB C 34 68.712 68.712 68.752 -0.040 17849 4343 1 7 . 1 1 34 34 THR H H 34 8.219 8.219 8.486 -0.267 17849 4344 1 7 . 1 1 35 35 VAL N N 35 122.638 122.638 120.015 2.623 17849 4345 1 7 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.766 -0.182 17849 4346 1 7 . 1 1 35 35 VAL C C 35 178.403 178.403 177.495 0.908 17849 4347 1 7 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.991 0.893 17849 4348 1 7 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.630 -0.269 17849 4349 1 7 . 1 1 35 35 VAL H H 35 7.791 7.791 7.661 0.130 17849 4350 1 7 . 1 1 36 36 MET N N 36 117.307 117.307 119.271 -1.964 17849 4351 1 7 . 1 1 36 36 MET HA H 36 3.906 3.906 4.152 -0.245 17849 4352 1 7 . 1 1 36 36 MET C C 36 178.456 178.456 178.347 0.109 17849 4353 1 7 . 1 1 36 36 MET CA C 36 59.787 59.787 58.756 1.031 17849 4354 1 7 . 1 1 36 36 MET CB C 36 32.548 32.548 31.638 0.910 17849 4355 1 7 . 1 1 36 36 MET H H 36 8.308 8.308 7.227 1.081 17849 4356 1 7 . 1 1 37 37 ARG N N 37 118.384 118.384 117.390 0.994 17849 4357 1 7 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.336 0.421 17849 4358 1 7 . 1 1 37 37 ARG C C 37 181.371 181.371 178.230 3.141 17849 4359 1 7 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.663 0.224 17849 4360 1 7 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.537 0.561 17849 4361 1 7 . 1 1 37 37 ARG H H 37 8.634 8.634 8.209 0.425 17849 4362 1 7 . 1 1 38 38 SER N N 38 118.916 118.916 112.432 6.484 17849 4363 1 7 . 1 1 38 38 SER HA H 38 4.339 4.339 4.318 0.021 17849 4364 1 7 . 1 1 38 38 SER C C 38 174.705 174.705 175.417 -0.712 17849 4365 1 7 . 1 1 38 38 SER CA C 38 61.793 61.793 59.676 2.117 17849 4366 1 7 . 1 1 38 38 SER CB C 38 62.713 62.713 63.228 -0.515 17849 4367 1 7 . 1 1 38 38 SER H H 38 8.226 8.226 7.468 0.758 17849 4368 1 7 . 1 1 39 39 LEU N N 39 119.948 119.948 119.771 0.177 17849 4369 1 7 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.074 0.222 17849 4370 1 7 . 1 1 39 39 LEU C C 39 176.723 176.723 177.423 -0.700 17849 4371 1 7 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.229 -2.669 17849 4372 1 7 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.395 -0.406 17849 4373 1 7 . 1 1 39 39 LEU H H 39 7.331 7.331 7.885 -0.554 17849 4374 1 7 . 1 1 40 40 GLY N N 40 105.997 105.997 103.187 2.810 17849 4375 1 7 . 1 1 40 40 GLY C C 40 174.405 174.405 173.730 0.675 17849 4376 1 7 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.475 -0.287 17849 4377 1 7 . 1 1 40 40 GLY H H 40 7.889 7.889 7.798 0.091 17849 4378 1 7 . 1 1 41 41 LEU N N 41 120.071 120.071 119.188 0.883 17849 4379 1 7 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.993 -0.507 17849 4380 1 7 . 1 1 41 41 LEU C C 41 175.829 175.829 175.486 0.343 17849 4381 1 7 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.238 0.949 17849 4382 1 7 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.629 -1.056 17849 4383 1 7 . 1 1 41 41 LEU H H 41 7.592 7.592 7.824 -0.232 17849 4384 1 7 . 1 1 42 42 SER N N 42 112.869 112.869 115.687 -2.818 17849 4385 1 7 . 1 1 42 42 SER HA H 42 4.797 4.797 4.815 -0.018 17849 4386 1 7 . 1 1 42 42 SER CA C 42 54.960 54.960 55.968 -1.008 17849 4387 1 7 . 1 1 42 42 SER CB C 42 63.177 63.177 63.720 -0.543 17849 4388 1 7 . 1 1 42 42 SER H H 42 8.761 8.761 8.378 0.383 17849 4389 1 7 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.530 0.178 17849 4390 1 7 . 1 1 43 43 PRO C C 43 177.533 177.533 176.160 1.373 17849 4391 1 7 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.363 -0.188 17849 4392 1 7 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.321 -0.447 17849 4393 1 7 . 1 1 44 44 SER N N 44 119.089 119.089 118.158 0.931 17849 4394 1 7 . 1 1 44 44 SER HA H 44 4.574 4.574 4.649 -0.075 17849 4395 1 7 . 1 1 44 44 SER C C 44 174.803 174.803 175.851 -1.048 17849 4396 1 7 . 1 1 44 44 SER CA C 44 56.786 56.786 56.916 -0.130 17849 4397 1 7 . 1 1 44 44 SER CB C 44 65.387 65.387 64.788 0.599 17849 4398 1 7 . 1 1 44 44 SER H H 44 9.014 9.014 8.247 0.767 17849 4399 1 7 . 1 1 45 45 GLU N N 45 121.343 121.343 126.000 -4.657 17849 4400 1 7 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.927 0.017 17849 4401 1 7 . 1 1 45 45 GLU C C 45 178.978 178.978 177.819 1.159 17849 4402 1 7 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.404 0.702 17849 4403 1 7 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.198 0.105 17849 4404 1 7 . 1 1 45 45 GLU H H 45 8.925 8.925 9.174 -0.249 17849 4405 1 7 . 1 1 46 46 ALA N N 46 120.822 120.822 122.178 -1.356 17849 4406 1 7 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.185 -0.039 17849 4407 1 7 . 1 1 46 46 ALA C C 46 179.782 179.782 179.679 0.103 17849 4408 1 7 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.730 0.356 17849 4409 1 7 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.055 0.201 17849 4410 1 7 . 1 1 46 46 ALA H H 46 8.339 8.339 8.274 0.065 17849 4411 1 7 . 1 1 47 47 GLU N N 47 118.432 118.432 119.569 -1.137 17849 4412 1 7 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.021 0.053 17849 4413 1 7 . 1 1 47 47 GLU C C 47 180.222 180.222 179.182 1.040 17849 4414 1 7 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.218 -0.009 17849 4415 1 7 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.407 0.478 17849 4416 1 7 . 1 1 47 47 GLU H H 47 7.759 7.759 7.659 0.100 17849 4417 1 7 . 1 1 48 48 VAL N N 48 120.023 120.023 119.965 0.058 17849 4418 1 7 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.597 -0.099 17849 4419 1 7 . 1 1 48 48 VAL C C 48 177.380 177.380 177.785 -0.405 17849 4420 1 7 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.580 0.678 17849 4421 1 7 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.337 0.024 17849 4422 1 7 . 1 1 48 48 VAL H H 48 8.174 8.174 8.696 -0.522 17849 4423 1 7 . 1 1 49 49 ASN N N 49 118.475 118.475 116.960 1.515 17849 4424 1 7 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.542 -0.137 17849 4425 1 7 . 1 1 49 49 ASN C C 49 177.352 177.352 176.529 0.823 17849 4426 1 7 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.236 0.474 17849 4427 1 7 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.096 0.173 17849 4428 1 7 . 1 1 49 49 ASN H H 49 8.208 8.208 8.122 0.086 17849 4429 1 7 . 1 1 50 50 ASP N N 50 120.147 120.147 119.115 1.032 17849 4430 1 7 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.558 -0.076 17849 4431 1 7 . 1 1 50 50 ASP C C 50 178.973 178.973 178.978 -0.005 17849 4432 1 7 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.352 1.088 17849 4433 1 7 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.059 -0.879 17849 4434 1 7 . 1 1 50 50 ASP H H 50 8.400 8.400 7.435 0.965 17849 4435 1 7 . 1 1 51 51 LEU N N 51 121.706 121.706 120.545 1.161 17849 4436 1 7 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.110 -0.002 17849 4437 1 7 . 1 1 51 51 LEU C C 51 178.796 178.796 178.631 0.165 17849 4438 1 7 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.247 0.885 17849 4439 1 7 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.863 0.027 17849 4440 1 7 . 1 1 51 51 LEU H H 51 7.830 7.830 7.270 0.560 17849 4441 1 7 . 1 1 52 52 MET N N 52 117.267 117.267 114.859 2.408 17849 4442 1 7 . 1 1 52 52 MET HA H 52 4.145 4.145 4.389 -0.244 17849 4443 1 7 . 1 1 52 52 MET C C 52 178.260 178.260 177.368 0.892 17849 4444 1 7 . 1 1 52 52 MET CA C 52 57.418 57.418 56.099 1.319 17849 4445 1 7 . 1 1 52 52 MET CB C 52 30.089 30.089 31.573 -1.484 17849 4446 1 7 . 1 1 52 52 MET H H 52 8.601 8.601 8.673 -0.072 17849 4447 1 7 . 1 1 53 53 ASN N N 53 115.368 115.368 118.535 -3.167 17849 4448 1 7 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.484 0.089 17849 4449 1 7 . 1 1 53 53 ASN C C 53 176.890 176.890 176.217 0.673 17849 4450 1 7 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.378 -1.046 17849 4451 1 7 . 1 1 53 53 ASN CB C 53 38.154 38.154 39.025 -0.871 17849 4452 1 7 . 1 1 53 53 ASN H H 53 8.239 8.239 7.980 0.259 17849 4453 1 7 . 1 1 54 54 GLU N N 54 117.437 117.437 116.702 0.735 17849 4454 1 7 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.207 0.043 17849 4455 1 7 . 1 1 54 54 GLU C C 54 177.019 177.019 177.754 -0.735 17849 4456 1 7 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.304 -0.617 17849 4457 1 7 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.757 0.336 17849 4458 1 7 . 1 1 54 54 GLU H H 54 7.625 7.625 7.570 0.055 17849 4459 1 7 . 1 1 55 55 ILE N N 55 117.098 117.098 118.191 -1.093 17849 4460 1 7 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.998 -0.097 17849 4461 1 7 . 1 1 55 55 ILE C C 55 176.027 176.027 175.642 0.385 17849 4462 1 7 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.645 -0.008 17849 4463 1 7 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.397 1.639 17849 4464 1 7 . 1 1 55 55 ILE H H 55 7.496 7.496 7.299 0.197 17849 4465 1 7 . 1 1 56 56 ASP N N 56 118.367 118.367 120.287 -1.920 17849 4466 1 7 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.833 -0.416 17849 4467 1 7 . 1 1 56 56 ASP C C 56 175.761 175.761 176.354 -0.593 17849 4468 1 7 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.607 -0.200 17849 4469 1 7 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.536 -0.303 17849 4470 1 7 . 1 1 56 56 ASP H H 56 8.329 8.329 7.812 0.517 17849 4471 1 7 . 1 1 57 57 VAL N N 57 126.262 126.262 123.356 2.906 17849 4472 1 7 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.023 -0.017 17849 4473 1 7 . 1 1 57 57 VAL C C 57 177.253 177.253 176.756 0.497 17849 4474 1 7 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.395 0.829 17849 4475 1 7 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.439 0.747 17849 4476 1 7 . 1 1 57 57 VAL H H 57 8.116 8.116 9.005 -0.889 17849 4477 1 7 . 1 1 58 58 ASP N N 58 116.896 116.896 118.566 -1.670 17849 4478 1 7 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.661 -0.089 17849 4479 1 7 . 1 1 58 58 ASP C C 58 177.670 177.670 176.954 0.716 17849 4480 1 7 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.924 -0.119 17849 4481 1 7 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.344 -1.351 17849 4482 1 7 . 1 1 58 58 ASP H H 58 8.356 8.356 8.233 0.123 17849 4483 1 7 . 1 1 59 59 GLY N N 59 107.989 107.989 108.697 -0.708 17849 4484 1 7 . 1 1 59 59 GLY C C 59 174.661 174.661 175.292 -0.631 17849 4485 1 7 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.403 1.676 17849 4486 1 7 . 1 1 59 59 GLY H H 59 7.622 7.622 8.289 -0.667 17849 4487 1 7 . 1 1 60 60 ASN N N 60 118.703 118.703 118.487 0.216 17849 4488 1 7 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.635 -0.093 17849 4489 1 7 . 1 1 60 60 ASN C C 60 175.787 175.787 175.106 0.681 17849 4490 1 7 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.375 -0.092 17849 4491 1 7 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.916 -1.732 17849 4492 1 7 . 1 1 60 60 ASN H H 60 8.096 8.096 8.725 -0.629 17849 4493 1 7 . 1 1 61 61 HIS N N 61 117.475 117.475 116.571 0.904 17849 4494 1 7 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.225 -0.357 17849 4495 1 7 . 1 1 61 61 HIS C C 61 172.407 172.407 172.944 -0.537 17849 4496 1 7 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.396 -0.968 17849 4497 1 7 . 1 1 61 61 HIS CB C 61 26.973 26.973 27.747 -0.774 17849 4498 1 7 . 1 1 61 61 HIS H H 61 9.998 9.998 8.051 1.947 17849 4499 1 7 . 1 1 62 62 GLN N N 62 112.629 112.629 115.748 -3.119 17849 4500 1 7 . 1 1 62 62 GLN HA H 62 4.809 4.809 4.980 -0.171 17849 4501 1 7 . 1 1 62 62 GLN C C 62 174.654 174.654 174.564 0.090 17849 4502 1 7 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.442 -0.634 17849 4503 1 7 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.543 -0.418 17849 4504 1 7 . 1 1 62 62 GLN H H 62 7.541 7.541 8.337 -0.796 17849 4505 1 7 . 1 1 63 63 ILE N N 63 123.800 123.800 125.796 -1.996 17849 4506 1 7 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.673 0.373 17849 4507 1 7 . 1 1 63 63 ILE C C 63 176.626 176.626 176.171 0.455 17849 4508 1 7 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.188 1.705 17849 4509 1 7 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.091 2.089 17849 4510 1 7 . 1 1 63 63 ILE H H 63 9.312 9.312 8.563 0.749 17849 4511 1 7 . 1 1 64 64 GLU N N 64 128.941 128.941 128.102 0.839 17849 4512 1 7 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.655 0.321 17849 4513 1 7 . 1 1 64 64 GLU C C 64 178.001 178.001 177.832 0.169 17849 4514 1 7 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.914 2.806 17849 4515 1 7 . 1 1 64 64 GLU CB C 64 31.228 31.228 31.884 -0.656 17849 4516 1 7 . 1 1 64 64 GLU H H 64 8.846 8.846 8.209 0.637 17849 4517 1 7 . 1 1 65 65 PHE N N 65 124.119 124.119 122.081 2.038 17849 4518 1 7 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.273 -0.747 17849 4519 1 7 . 1 1 65 65 PHE C C 65 176.981 176.981 177.369 -0.388 17849 4520 1 7 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.943 0.321 17849 4521 1 7 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.306 -1.482 17849 4522 1 7 . 1 1 65 65 PHE H H 65 9.488 9.488 8.844 0.644 17849 4523 1 7 . 1 1 66 66 SER N N 66 112.445 112.445 114.644 -2.199 17849 4524 1 7 . 1 1 66 66 SER HA H 66 3.667 3.667 4.376 -0.709 17849 4525 1 7 . 1 1 66 66 SER C C 66 177.385 177.385 176.389 0.996 17849 4526 1 7 . 1 1 66 66 SER CA C 66 61.503 61.503 61.381 0.122 17849 4527 1 7 . 1 1 66 66 SER CB C 66 61.285 61.285 62.639 -1.354 17849 4528 1 7 . 1 1 66 66 SER H H 66 8.972 8.972 8.316 0.656 17849 4529 1 7 . 1 1 67 67 GLU N N 67 122.775 122.775 123.529 -0.754 17849 4530 1 7 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.985 0.136 17849 4531 1 7 . 1 1 67 67 GLU C C 67 178.567 178.567 178.793 -0.226 17849 4532 1 7 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.476 -1.633 17849 4533 1 7 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.375 -0.126 17849 4534 1 7 . 1 1 67 67 GLU H H 67 6.799 6.799 7.494 -0.695 17849 4535 1 7 . 1 1 68 68 PHE N N 68 123.231 123.231 119.906 3.325 17849 4536 1 7 . 1 1 68 68 PHE HA H 68 3.831 3.831 3.962 -0.131 17849 4537 1 7 . 1 1 68 68 PHE C C 68 175.936 175.936 177.277 -1.341 17849 4538 1 7 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.119 -0.003 17849 4539 1 7 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.016 1.199 17849 4540 1 7 . 1 1 68 68 PHE H H 68 8.176 8.176 8.463 -0.287 17849 4541 1 7 . 1 1 69 69 LEU N N 69 118.554 118.554 117.866 0.688 17849 4542 1 7 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.487 -0.321 17849 4543 1 7 . 1 1 69 69 LEU C C 69 179.074 179.074 179.038 0.036 17849 4544 1 7 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.762 -0.630 17849 4545 1 7 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.137 0.129 17849 4546 1 7 . 1 1 69 69 LEU H H 69 8.626 8.626 7.463 1.163 17849 4547 1 7 . 1 1 70 70 ALA N N 70 120.878 120.878 121.153 -0.275 17849 4548 1 7 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.030 -0.145 17849 4549 1 7 . 1 1 70 70 ALA C C 70 179.914 179.914 180.160 -0.246 17849 4550 1 7 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.491 0.479 17849 4551 1 7 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.950 -0.173 17849 4552 1 7 . 1 1 70 70 ALA H H 70 7.322 7.322 7.692 -0.370 17849 4553 1 7 . 1 1 71 71 LEU N N 71 118.871 118.871 116.681 2.190 17849 4554 1 7 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.780 0.148 17849 4555 1 7 . 1 1 71 71 LEU C C 71 178.009 178.009 177.244 0.765 17849 4556 1 7 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.562 1.182 17849 4557 1 7 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.493 -0.081 17849 4558 1 7 . 1 1 71 71 LEU H H 71 7.219 7.219 7.149 0.070 17849 4559 1 7 . 1 1 72 72 MET N N 72 113.480 113.480 111.196 2.284 17849 4560 1 7 . 1 1 72 72 MET HA H 72 4.165 4.165 4.281 -0.116 17849 4561 1 7 . 1 1 72 72 MET CA C 72 55.413 55.413 55.303 0.110 17849 4562 1 7 . 1 1 72 72 MET CB C 72 31.199 31.199 33.070 -1.871 17849 4563 1 7 . 1 1 72 72 MET H H 72 7.486 7.486 7.459 0.027 17849 4564 1 7 . 1 1 73 73 SER HA H 73 4.337 4.337 4.631 -0.294 17849 4565 1 7 . 1 1 73 73 SER C C 73 174.241 174.241 175.507 -1.266 17849 4566 1 7 . 1 1 73 73 SER CA C 73 59.132 59.132 57.843 1.289 17849 4567 1 7 . 1 1 73 73 SER CB C 73 63.649 63.649 64.800 -1.151 17849 4568 1 7 . 1 1 73 73 SER H H 73 7.699 7.699 7.792 -0.093 17849 4569 1 7 . 1 1 74 74 ARG N N 74 121.213 121.213 121.046 0.167 17849 4570 1 7 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.136 0.075 17849 4571 1 7 . 1 1 74 74 ARG C C 74 175.638 175.638 175.161 0.477 17849 4572 1 7 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.207 -0.357 17849 4573 1 7 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.611 0.061 17849 4574 1 7 . 1 1 74 74 ARG H H 74 7.400 7.400 7.872 -0.472 17849 4575 1 7 . 1 1 75 75 GLN N N 75 118.914 118.914 116.835 2.079 17849 4576 1 7 . 1 1 75 75 GLN CB C 75 29.315 29.315 31.003 -1.688 17849 4577 1 7 . 1 1 75 75 GLN H H 75 8.090 8.090 7.475 0.615 17849 4578 1 7 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.125 0.262 17849 4579 1 7 . 1 1 77 77 LYS C C 77 176.410 176.410 176.844 -0.434 17849 4580 1 7 . 1 1 77 77 LYS CA C 77 56.042 56.042 57.694 -1.653 17849 4581 1 7 . 1 1 77 77 LYS CB C 77 33.157 33.157 31.940 1.217 17849 4582 1 7 . 1 1 78 78 SER N N 78 116.257 116.257 112.097 4.160 17849 4583 1 7 . 1 1 78 78 SER HA H 78 4.422 4.422 4.163 0.259 17849 4584 1 7 . 1 1 78 78 SER C C 78 174.436 174.436 172.936 1.500 17849 4585 1 7 . 1 1 78 78 SER CA C 78 58.366 58.366 58.724 -0.358 17849 4586 1 7 . 1 1 78 78 SER CB C 78 63.855 63.855 62.656 1.199 17849 4587 1 7 . 1 1 78 78 SER H H 78 8.332 8.332 8.305 0.027 17849 4588 1 7 . 1 1 79 79 ASN N N 79 120.267 120.267 117.251 3.016 17849 4589 1 7 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.849 -0.122 17849 4590 1 7 . 1 1 79 79 ASN C C 79 174.966 174.966 173.365 1.601 17849 4591 1 7 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.362 1.105 17849 4592 1 7 . 1 1 79 79 ASN CB C 79 38.869 38.869 39.228 -0.359 17849 4593 1 7 . 1 1 79 79 ASN H H 79 8.548 8.548 8.020 0.528 17849 4594 1 7 . 1 1 80 80 ASP N N 80 119.659 119.659 119.970 -0.311 17849 4595 1 7 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.858 -0.241 17849 4596 1 7 . 1 1 80 80 ASP C C 80 176.412 176.412 176.097 0.315 17849 4597 1 7 . 1 1 80 80 ASP CA C 80 54.710 54.710 52.014 2.696 17849 4598 1 7 . 1 1 80 80 ASP CB C 80 41.223 41.223 42.427 -1.204 17849 4599 1 7 . 1 1 80 80 ASP H H 80 8.325 8.325 7.786 0.539 17849 4600 1 7 . 1 1 81 81 SER N N 81 115.425 115.425 116.048 -0.623 17849 4601 1 7 . 1 1 81 81 SER HA H 81 4.414 4.414 4.257 0.157 17849 4602 1 7 . 1 1 81 81 SER C C 81 174.733 174.733 174.624 0.109 17849 4603 1 7 . 1 1 81 81 SER CA C 81 59.183 59.183 59.736 -0.553 17849 4604 1 7 . 1 1 81 81 SER CB C 81 63.784 63.784 63.606 0.178 17849 4605 1 7 . 1 1 81 81 SER H H 81 8.256 8.256 8.524 -0.268 17849 4606 1 7 . 1 1 82 82 GLU N N 82 121.456 121.456 121.830 -0.374 17849 4607 1 7 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.063 0.260 17849 4608 1 7 . 1 1 82 82 GLU C C 82 176.385 176.385 176.445 -0.060 17849 4609 1 7 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.554 -0.826 17849 4610 1 7 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.536 0.336 17849 4611 1 7 . 1 1 82 82 GLU H H 82 8.375 8.375 8.301 0.074 17849 4612 1 7 . 1 1 83 83 GLN N N 83 120.069 120.069 115.009 5.060 17849 4613 1 7 . 1 1 83 83 GLN HA H 83 4.305 4.305 3.987 0.318 17849 4614 1 7 . 1 1 83 83 GLN C C 83 176.054 176.054 176.444 -0.390 17849 4615 1 7 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.245 -1.098 17849 4616 1 7 . 1 1 83 83 GLN CB C 83 29.303 29.303 27.127 2.176 17849 4617 1 7 . 1 1 83 83 GLN H H 83 8.233 8.233 8.612 -0.379 17849 4618 1 7 . 1 1 84 84 GLU N N 84 122.390 122.390 117.156 5.234 17849 4619 1 7 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.270 0.021 17849 4620 1 7 . 1 1 84 84 GLU C C 84 177.528 177.528 176.973 0.555 17849 4621 1 7 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.151 -0.953 17849 4622 1 7 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.905 0.208 17849 4623 1 7 . 1 1 84 84 GLU H H 84 8.567 8.567 8.361 0.206 17849 4624 1 7 . 1 1 85 85 LEU N N 85 122.788 122.788 119.244 3.544 17849 4625 1 7 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.229 -0.034 17849 4626 1 7 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.204 -0.687 17849 4627 1 7 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.470 0.946 17849 4628 1 7 . 1 1 85 85 LEU H H 85 8.434 8.434 8.031 0.403 17849 4629 1 7 . 1 1 86 86 LEU N N 86 119.558 119.558 119.149 0.409 17849 4630 1 7 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.877 0.280 17849 4631 1 7 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.453 -2.334 17849 4632 1 7 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.202 0.356 17849 4633 1 7 . 1 1 86 86 LEU H H 86 8.037 8.037 8.192 -0.155 17849 4634 1 7 . 1 1 87 87 GLU N N 87 121.323 121.323 119.770 1.553 17849 4635 1 7 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.968 -0.045 17849 4636 1 7 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.066 0.481 17849 4637 1 7 . 1 1 87 87 GLU CB C 87 29.343 29.343 27.708 1.635 17849 4638 1 7 . 1 1 87 87 GLU H H 87 8.192 8.192 8.619 -0.427 17849 4639 1 7 . 1 1 88 88 ALA N N 88 119.942 119.942 120.560 -0.618 17849 4640 1 7 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.228 -0.152 17849 4641 1 7 . 1 1 88 88 ALA C C 88 178.281 178.281 177.608 0.673 17849 4642 1 7 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.793 0.688 17849 4643 1 7 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.476 0.334 17849 4644 1 7 . 1 1 88 88 ALA H H 88 8.363 8.363 7.657 0.706 17849 4645 1 7 . 1 1 89 89 PHE N N 89 111.807 111.807 115.914 -4.107 17849 4646 1 7 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.492 -0.003 17849 4647 1 7 . 1 1 89 89 PHE C C 89 176.632 176.632 175.822 0.810 17849 4648 1 7 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.710 0.768 17849 4649 1 7 . 1 1 89 89 PHE CB C 89 38.642 38.642 40.659 -2.017 17849 4650 1 7 . 1 1 89 89 PHE H H 89 7.855 7.855 7.908 -0.053 17849 4651 1 7 . 1 1 90 90 LYS N N 90 120.375 120.375 121.605 -1.230 17849 4652 1 7 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.138 -0.140 17849 4653 1 7 . 1 1 90 90 LYS C C 90 178.490 178.490 177.706 0.784 17849 4654 1 7 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.453 1.542 17849 4655 1 7 . 1 1 90 90 LYS CB C 90 31.914 31.914 31.926 -0.012 17849 4656 1 7 . 1 1 90 90 LYS H H 90 7.957 7.957 7.587 0.370 17849 4657 1 7 . 1 1 91 91 VAL N N 91 116.643 116.643 118.754 -2.111 17849 4658 1 7 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.760 0.114 17849 4659 1 7 . 1 1 91 91 VAL C C 91 175.413 175.413 176.845 -1.432 17849 4660 1 7 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.412 -1.719 17849 4661 1 7 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.971 -0.737 17849 4662 1 7 . 1 1 91 91 VAL H H 91 7.389 7.389 8.089 -0.700 17849 4663 1 7 . 1 1 92 92 PHE N N 92 115.769 115.769 116.103 -0.334 17849 4664 1 7 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.355 0.165 17849 4665 1 7 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.017 1.158 17849 4666 1 7 . 1 1 92 92 PHE CB C 92 40.234 40.234 39.049 1.185 17849 4667 1 7 . 1 1 92 92 PHE H H 92 7.534 7.534 7.457 0.077 17849 4668 1 7 . 1 1 93 93 ASP N N 93 115.397 115.397 119.061 -3.664 17849 4669 1 7 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.726 0.132 17849 4670 1 7 . 1 1 93 93 ASP C C 93 177.421 177.421 177.229 0.192 17849 4671 1 7 . 1 1 93 93 ASP CA C 93 52.466 52.466 55.315 -2.849 17849 4672 1 7 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.417 -1.437 17849 4673 1 7 . 1 1 93 93 ASP H H 93 7.543 7.543 8.502 -0.959 17849 4674 1 7 . 1 1 94 94 LYS N N 94 125.591 125.591 126.371 -0.780 17849 4675 1 7 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.341 -0.262 17849 4676 1 7 . 1 1 94 94 LYS C C 94 177.856 177.856 177.796 0.060 17849 4677 1 7 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.398 0.532 17849 4678 1 7 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.809 -0.415 17849 4679 1 7 . 1 1 94 94 LYS H H 94 7.873 7.873 8.241 -0.368 17849 4680 1 7 . 1 1 95 95 ASN N N 95 112.796 112.796 117.384 -4.588 17849 4681 1 7 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.647 0.150 17849 4682 1 7 . 1 1 95 95 ASN C C 95 176.619 176.619 176.006 0.613 17849 4683 1 7 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.787 -1.877 17849 4684 1 7 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.820 -1.544 17849 4685 1 7 . 1 1 95 95 ASN H H 95 8.272 8.272 8.249 0.023 17849 4686 1 7 . 1 1 96 96 GLY N N 96 109.132 109.132 109.762 -0.630 17849 4687 1 7 . 1 1 96 96 GLY C C 96 174.799 174.799 173.633 1.166 17849 4688 1 7 . 1 1 96 96 GLY CA C 96 47.571 47.571 45.502 2.069 17849 4689 1 7 . 1 1 96 96 GLY H H 96 7.654 7.654 8.302 -0.648 17849 4690 1 7 . 1 1 97 97 ASP N N 97 118.796 118.796 120.452 -1.656 17849 4691 1 7 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.729 -0.199 17849 4692 1 7 . 1 1 97 97 ASP C C 97 177.137 177.137 177.196 -0.059 17849 4693 1 7 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.250 0.142 17849 4694 1 7 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.366 -0.977 17849 4695 1 7 . 1 1 97 97 ASP H H 97 8.090 8.090 8.646 -0.556 17849 4696 1 7 . 1 1 98 98 GLY N N 98 112.962 112.962 108.454 4.508 17849 4697 1 7 . 1 1 98 98 GLY C C 98 172.142 172.142 174.025 -1.883 17849 4698 1 7 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.844 -0.120 17849 4699 1 7 . 1 1 98 98 GLY H H 98 10.329 10.329 8.425 1.904 17849 4700 1 7 . 1 1 99 99 LEU N N 99 119.691 119.691 121.601 -1.910 17849 4701 1 7 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.697 0.065 17849 4702 1 7 . 1 1 99 99 LEU C C 99 176.162 176.162 175.107 1.055 17849 4703 1 7 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.448 -0.624 17849 4704 1 7 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.050 -0.268 17849 4705 1 7 . 1 1 99 99 LEU H H 99 8.000 8.000 8.299 -0.299 17849 4706 1 7 . 1 1 100 100 ILE N N 100 127.464 127.464 119.898 7.566 17849 4707 1 7 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.968 -0.294 17849 4708 1 7 . 1 1 100 100 ILE C C 100 175.006 175.006 175.113 -0.107 17849 4709 1 7 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.751 1.669 17849 4710 1 7 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.473 -2.662 17849 4711 1 7 . 1 1 100 100 ILE H H 100 9.491 9.491 8.167 1.324 17849 4712 1 7 . 1 1 101 101 SER N N 101 123.104 123.104 118.435 4.669 17849 4713 1 7 . 1 1 101 101 SER HA H 101 4.770 4.770 4.779 -0.009 17849 4714 1 7 . 1 1 101 101 SER C C 101 174.847 174.847 175.151 -0.304 17849 4715 1 7 . 1 1 101 101 SER CA C 101 55.854 55.854 56.424 -0.570 17849 4716 1 7 . 1 1 101 101 SER CB C 101 65.994 65.994 66.472 -0.478 17849 4717 1 7 . 1 1 101 101 SER H H 101 9.058 9.058 8.466 0.592 17849 4718 1 7 . 1 1 102 102 ALA N N 102 124.316 124.316 122.801 1.515 17849 4719 1 7 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.661 -1.045 17849 4720 1 7 . 1 1 102 102 ALA C C 102 179.388 179.388 179.202 0.186 17849 4721 1 7 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.716 1.008 17849 4722 1 7 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.902 -1.587 17849 4723 1 7 . 1 1 102 102 ALA H H 102 8.587 8.587 8.888 -0.301 17849 4724 1 7 . 1 1 103 103 ALA N N 103 118.346 118.346 120.283 -1.937 17849 4725 1 7 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.034 -0.034 17849 4726 1 7 . 1 1 103 103 ALA C C 103 181.188 181.188 179.111 2.077 17849 4727 1 7 . 1 1 103 103 ALA CA C 103 55.058 55.058 53.986 1.072 17849 4728 1 7 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.990 0.399 17849 4729 1 7 . 1 1 103 103 ALA H H 103 8.266 8.266 8.119 0.147 17849 4730 1 7 . 1 1 104 104 GLU N N 104 120.568 120.568 120.332 0.236 17849 4731 1 7 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.092 -0.036 17849 4732 1 7 . 1 1 104 104 GLU C C 104 178.762 178.762 178.591 0.171 17849 4733 1 7 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.326 0.642 17849 4734 1 7 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.997 -1.085 17849 4735 1 7 . 1 1 104 104 GLU H H 104 7.928 7.928 7.759 0.169 17849 4736 1 7 . 1 1 105 105 LEU N N 105 117.903 117.903 117.288 0.615 17849 4737 1 7 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.858 0.171 17849 4738 1 7 . 1 1 105 105 LEU C C 105 178.497 178.497 178.321 0.176 17849 4739 1 7 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.966 0.487 17849 4740 1 7 . 1 1 105 105 LEU CB C 105 43.192 43.192 41.678 1.514 17849 4741 1 7 . 1 1 105 105 LEU H H 105 7.926 7.926 7.920 0.006 17849 4742 1 7 . 1 1 106 106 LYS N N 106 115.836 115.836 118.223 -2.387 17849 4743 1 7 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.263 -0.465 17849 4744 1 7 . 1 1 106 106 LYS C C 106 179.102 179.102 179.263 -0.161 17849 4745 1 7 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.872 1.300 17849 4746 1 7 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.849 -0.239 17849 4747 1 7 . 1 1 106 106 LYS H H 106 8.337 8.337 7.707 0.630 17849 4748 1 7 . 1 1 107 107 HIS N N 107 119.620 119.620 119.426 0.194 17849 4749 1 7 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.441 -0.187 17849 4750 1 7 . 1 1 107 107 HIS C C 107 178.167 178.167 177.808 0.359 17849 4751 1 7 . 1 1 107 107 HIS CA C 107 59.928 59.928 57.719 2.209 17849 4752 1 7 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.325 0.260 17849 4753 1 7 . 1 1 107 107 HIS H H 107 8.502 8.502 7.844 0.658 17849 4754 1 7 . 1 1 108 108 VAL N N 108 118.595 118.595 121.277 -2.682 17849 4755 1 7 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.666 -0.010 17849 4756 1 7 . 1 1 108 108 VAL C C 108 178.608 178.608 177.027 1.581 17849 4757 1 7 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.210 1.146 17849 4758 1 7 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.902 1.413 17849 4759 1 7 . 1 1 108 108 VAL H H 108 8.348 8.348 8.592 -0.244 17849 4760 1 7 . 1 1 109 109 LEU N N 109 116.755 116.755 119.402 -2.647 17849 4761 1 7 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.031 0.113 17849 4762 1 7 . 1 1 109 109 LEU C C 109 179.267 179.267 178.089 1.178 17849 4763 1 7 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.235 0.219 17849 4764 1 7 . 1 1 109 109 LEU CB C 109 42.103 42.103 42.026 0.077 17849 4765 1 7 . 1 1 109 109 LEU H H 109 8.251 8.251 7.439 0.812 17849 4766 1 7 . 1 1 110 110 THR N N 110 111.046 111.046 111.740 -0.694 17849 4767 1 7 . 1 1 110 110 THR HA H 110 4.256 4.256 4.350 -0.094 17849 4768 1 7 . 1 1 110 110 THR C C 110 175.897 175.897 175.080 0.817 17849 4769 1 7 . 1 1 110 110 THR CA C 110 64.465 64.465 63.240 1.225 17849 4770 1 7 . 1 1 110 110 THR CB C 110 69.431 69.431 69.207 0.224 17849 4771 1 7 . 1 1 110 110 THR H H 110 8.085 8.085 7.974 0.111 17849 4772 1 7 . 1 1 111 111 SER N N 111 117.074 117.074 117.374 -0.300 17849 4773 1 7 . 1 1 111 111 SER HA H 111 4.406 4.406 4.342 0.064 17849 4774 1 7 . 1 1 111 111 SER C C 111 175.051 175.051 174.807 0.244 17849 4775 1 7 . 1 1 111 111 SER CA C 111 59.968 59.968 59.570 0.398 17849 4776 1 7 . 1 1 111 111 SER CB C 111 63.391 63.391 62.997 0.394 17849 4777 1 7 . 1 1 111 111 SER H H 111 7.681 7.681 7.262 0.419 17849 4778 1 7 . 1 1 112 112 ILE N N 112 119.783 119.783 120.318 -0.535 17849 4779 1 7 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.866 0.225 17849 4780 1 7 . 1 1 112 112 ILE C C 112 177.040 177.040 176.609 0.431 17849 4781 1 7 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.798 0.726 17849 4782 1 7 . 1 1 112 112 ILE CB C 112 38.344 38.344 37.537 0.807 17849 4783 1 7 . 1 1 112 112 ILE H H 112 7.444 7.444 7.312 0.132 17849 4784 1 7 . 1 1 113 113 GLY N N 113 110.432 110.432 109.702 0.730 17849 4785 1 7 . 1 1 113 113 GLY C C 113 174.442 174.442 173.265 1.177 17849 4786 1 7 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.189 0.454 17849 4787 1 7 . 1 1 113 113 GLY H H 113 8.148 8.148 7.796 0.352 17849 4788 1 7 . 1 1 114 114 GLU N N 114 120.374 120.374 118.918 1.456 17849 4789 1 7 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.272 -0.006 17849 4790 1 7 . 1 1 114 114 GLU C C 114 176.556 176.556 177.285 -0.729 17849 4791 1 7 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.972 -0.199 17849 4792 1 7 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.199 0.091 17849 4793 1 7 . 1 1 114 114 GLU H H 114 8.092 8.092 8.245 -0.153 17849 4794 1 7 . 1 1 115 115 LYS N N 115 121.383 121.383 122.518 -1.135 17849 4795 1 7 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.239 0.096 17849 4796 1 7 . 1 1 115 115 LYS C C 115 176.654 176.654 175.386 1.268 17849 4797 1 7 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.791 -0.492 17849 4798 1 7 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.165 1.674 17849 4799 1 7 . 1 1 115 115 LYS H H 115 8.221 8.221 8.095 0.126 17849 4800 1 7 . 1 1 116 116 LEU N N 116 123.146 123.146 125.883 -2.737 17849 4801 1 7 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.695 -0.274 17849 4802 1 7 . 1 1 116 116 LEU C C 116 177.677 177.677 175.714 1.963 17849 4803 1 7 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.987 0.333 17849 4804 1 7 . 1 1 116 116 LEU CB C 116 42.309 42.309 44.729 -2.420 17849 4805 1 7 . 1 1 116 116 LEU H H 116 8.265 8.265 8.254 0.011 17849 4806 1 7 . 1 1 117 117 THR N N 117 113.859 113.859 114.546 -0.687 17849 4807 1 7 . 1 1 117 117 THR HA H 117 4.337 4.337 4.599 -0.262 17849 4808 1 7 . 1 1 117 117 THR C C 117 174.535 174.535 174.083 0.452 17849 4809 1 7 . 1 1 117 117 THR CA C 117 61.824 61.824 60.359 1.465 17849 4810 1 7 . 1 1 117 117 THR CB C 117 70.096 70.096 71.464 -1.368 17849 4811 1 7 . 1 1 117 117 THR H H 117 8.182 8.182 8.132 0.050 17849 4812 1 7 . 1 1 118 118 ASP N N 118 122.049 122.049 119.414 2.635 17849 4813 1 7 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.657 -0.124 17849 4814 1 7 . 1 1 118 118 ASP C C 118 176.728 176.728 176.884 -0.156 17849 4815 1 7 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.294 -0.076 17849 4816 1 7 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.970 -0.118 17849 4817 1 7 . 1 1 118 118 ASP H H 118 8.367 8.367 8.639 -0.272 17849 4818 1 7 . 1 1 119 119 ALA N N 119 123.432 123.432 120.743 2.689 17849 4819 1 7 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.356 -0.137 17849 4820 1 7 . 1 1 119 119 ALA C C 119 178.486 178.486 177.976 0.510 17849 4821 1 7 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.905 0.528 17849 4822 1 7 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.223 0.852 17849 4823 1 7 . 1 1 119 119 ALA H H 119 8.206 8.206 7.982 0.224 17849 4824 1 7 . 1 1 120 120 GLU N N 120 118.592 118.592 116.939 1.653 17849 4825 1 7 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.030 0.152 17849 4826 1 7 . 1 1 120 120 GLU C C 120 177.133 177.133 177.538 -0.405 17849 4827 1 7 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.947 -1.842 17849 4828 1 7 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.562 0.490 17849 4829 1 7 . 1 1 120 120 GLU H H 120 8.187 8.187 8.047 0.140 17849 4830 1 7 . 1 1 121 121 LEU N N 121 121.427 121.427 109.827 11.600 17849 4831 1 7 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.447 -0.243 17849 4832 1 7 . 1 1 121 121 LEU C C 121 177.710 177.710 177.006 0.704 17849 4833 1 7 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.248 0.504 17849 4834 1 7 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.393 -1.135 17849 4835 1 7 . 1 1 121 121 LEU H H 121 8.020 8.020 7.413 0.607 17849 4836 1 7 . 1 1 122 122 GLU N N 122 119.850 119.850 119.194 0.656 17849 4837 1 7 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.224 -0.097 17849 4838 1 7 . 1 1 122 122 GLU C C 122 176.518 176.518 176.010 0.508 17849 4839 1 7 . 1 1 122 122 GLU CA C 122 57.014 57.014 55.755 1.259 17849 4840 1 7 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.606 1.450 17849 4841 1 7 . 1 1 122 122 GLU H H 122 8.118 8.118 8.008 0.110 17849 4842 1 7 . 1 1 123 123 HIS N N 123 118.817 118.817 119.764 -0.947 17849 4843 1 7 . 1 1 123 123 HIS CA C 123 56.259 56.259 57.932 -1.673 17849 4844 1 7 . 1 1 123 123 HIS H H 123 8.106 8.106 7.398 0.708 17849 4845 1 8 . 1 1 2 2 SER HA H 2 4.507 4.507 4.607 -0.100 17849 4846 1 8 . 1 1 2 2 SER CA C 2 58.342 58.342 58.487 -0.145 17849 4847 1 8 . 1 1 2 2 SER CB C 2 63.883 63.883 63.625 0.258 17849 4848 1 8 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.912 -0.148 17849 4849 1 8 . 1 1 3 3 ASN C C 3 174.784 174.784 174.557 0.227 17849 4850 1 8 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.361 0.764 17849 4851 1 8 . 1 1 3 3 ASN CB C 3 38.893 38.893 41.284 -2.391 17849 4852 1 8 . 1 1 4 4 LEU N N 4 121.466 121.466 123.752 -2.286 17849 4853 1 8 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.698 0.002 17849 4854 1 8 . 1 1 4 4 LEU C C 4 177.665 177.665 177.472 0.193 17849 4855 1 8 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.869 -1.357 17849 4856 1 8 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.295 1.344 17849 4857 1 8 . 1 1 4 4 LEU H H 4 8.097 8.097 8.471 -0.374 17849 4858 1 8 . 1 1 5 5 THR N N 5 112.990 112.990 114.410 -1.420 17849 4859 1 8 . 1 1 5 5 THR HA H 5 4.481 4.481 4.668 -0.187 17849 4860 1 8 . 1 1 5 5 THR C C 5 175.474 175.474 175.260 0.214 17849 4861 1 8 . 1 1 5 5 THR CA C 5 60.528 60.528 59.868 0.660 17849 4862 1 8 . 1 1 5 5 THR CB C 5 71.244 71.244 71.513 -0.269 17849 4863 1 8 . 1 1 5 5 THR H H 5 8.778 8.778 7.668 1.110 17849 4864 1 8 . 1 1 6 6 GLU N N 6 120.343 120.343 119.925 0.418 17849 4865 1 8 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.968 0.034 17849 4866 1 8 . 1 1 6 6 GLU C C 6 179.568 179.568 178.668 0.900 17849 4867 1 8 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.752 0.424 17849 4868 1 8 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.222 0.003 17849 4869 1 8 . 1 1 6 6 GLU H H 6 9.078 9.078 8.969 0.109 17849 4870 1 8 . 1 1 7 7 GLU N N 7 119.544 119.544 120.071 -0.527 17849 4871 1 8 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.043 0.068 17849 4872 1 8 . 1 1 7 7 GLU C C 7 179.170 179.170 179.081 0.089 17849 4873 1 8 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.986 1.051 17849 4874 1 8 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.357 -0.240 17849 4875 1 8 . 1 1 7 7 GLU H H 7 8.820 8.820 7.684 1.136 17849 4876 1 8 . 1 1 8 8 GLN N N 8 119.824 119.824 118.780 1.044 17849 4877 1 8 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.870 0.294 17849 4878 1 8 . 1 1 8 8 GLN C C 8 179.652 179.652 178.780 0.872 17849 4879 1 8 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.682 0.070 17849 4880 1 8 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.755 0.984 17849 4881 1 8 . 1 1 8 8 GLN H H 8 7.812 7.812 7.511 0.301 17849 4882 1 8 . 1 1 9 9 ILE N N 9 120.978 120.978 120.564 0.414 17849 4883 1 8 . 1 1 9 9 ILE HA H 9 3.852 3.852 4.097 -0.245 17849 4884 1 8 . 1 1 9 9 ILE C C 9 177.899 177.899 178.153 -0.254 17849 4885 1 8 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.752 0.824 17849 4886 1 8 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.763 0.226 17849 4887 1 8 . 1 1 9 9 ILE H H 9 8.634 8.634 8.319 0.315 17849 4888 1 8 . 1 1 10 10 ALA N N 10 121.528 121.528 119.805 1.723 17849 4889 1 8 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.102 0.004 17849 4890 1 8 . 1 1 10 10 ALA C C 10 180.886 180.886 180.309 0.577 17849 4891 1 8 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.414 0.004 17849 4892 1 8 . 1 1 10 10 ALA CB C 10 17.775 17.775 18.009 -0.234 17849 4893 1 8 . 1 1 10 10 ALA H H 10 8.142 8.142 7.972 0.170 17849 4894 1 8 . 1 1 11 11 GLU N N 11 118.807 118.807 119.185 -0.378 17849 4895 1 8 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.184 0.030 17849 4896 1 8 . 1 1 11 11 GLU C C 11 180.292 180.292 178.797 1.495 17849 4897 1 8 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.668 0.696 17849 4898 1 8 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.480 0.308 17849 4899 1 8 . 1 1 11 11 GLU H H 11 7.810 7.810 7.702 0.108 17849 4900 1 8 . 1 1 12 12 PHE N N 12 118.671 118.671 119.851 -1.180 17849 4901 1 8 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.468 0.179 17849 4902 1 8 . 1 1 12 12 PHE C C 12 179.032 179.032 177.495 1.537 17849 4903 1 8 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.737 3.423 17849 4904 1 8 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.379 0.636 17849 4905 1 8 . 1 1 12 12 PHE H H 12 8.432 8.432 8.599 -0.167 17849 4906 1 8 . 1 1 13 13 LYS N N 13 123.536 123.536 119.370 4.166 17849 4907 1 8 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.208 -0.368 17849 4908 1 8 . 1 1 13 13 LYS C C 13 179.114 179.114 179.022 0.092 17849 4909 1 8 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.227 -0.139 17849 4910 1 8 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.156 -0.504 17849 4911 1 8 . 1 1 13 13 LYS H H 13 8.981 8.981 8.692 0.289 17849 4912 1 8 . 1 1 14 14 GLU N N 14 119.691 119.691 119.014 0.677 17849 4913 1 8 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.310 -0.213 17849 4914 1 8 . 1 1 14 14 GLU C C 14 179.285 179.285 178.505 0.780 17849 4915 1 8 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.424 0.821 17849 4916 1 8 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.747 -0.106 17849 4917 1 8 . 1 1 14 14 GLU H H 14 7.737 7.737 7.612 0.125 17849 4918 1 8 . 1 1 15 15 ALA N N 15 120.127 120.127 123.094 -2.967 17849 4919 1 8 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.075 0.092 17849 4920 1 8 . 1 1 15 15 ALA C C 15 178.607 178.607 179.589 -0.982 17849 4921 1 8 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.103 -0.044 17849 4922 1 8 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.594 0.537 17849 4923 1 8 . 1 1 15 15 ALA H H 15 7.747 7.747 7.643 0.104 17849 4924 1 8 . 1 1 16 16 PHE N N 16 119.058 119.058 118.695 0.363 17849 4925 1 8 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.614 -0.307 17849 4926 1 8 . 1 1 16 16 PHE C C 16 177.236 177.236 177.018 0.218 17849 4927 1 8 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.465 1.240 17849 4928 1 8 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.694 1.058 17849 4929 1 8 . 1 1 16 16 PHE H H 16 8.908 8.908 8.596 0.312 17849 4930 1 8 . 1 1 17 17 ALA N N 17 119.352 119.352 122.621 -3.269 17849 4931 1 8 . 1 1 17 17 ALA HA H 17 4.123 4.123 3.908 0.215 17849 4932 1 8 . 1 1 17 17 ALA C C 17 178.680 178.680 178.826 -0.146 17849 4933 1 8 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.556 -0.017 17849 4934 1 8 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.157 0.058 17849 4935 1 8 . 1 1 17 17 ALA H H 17 7.877 7.877 8.025 -0.148 17849 4936 1 8 . 1 1 18 18 LEU N N 18 115.281 115.281 117.062 -1.781 17849 4937 1 8 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.875 0.180 17849 4938 1 8 . 1 1 18 18 LEU C C 18 178.393 178.393 177.558 0.835 17849 4939 1 8 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.351 -0.709 17849 4940 1 8 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.315 0.428 17849 4941 1 8 . 1 1 18 18 LEU H H 18 7.369 7.369 7.982 -0.613 17849 4942 1 8 . 1 1 19 19 PHE N N 19 115.719 115.719 112.357 3.362 17849 4943 1 8 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.372 -0.163 17849 4944 1 8 . 1 1 19 19 PHE C C 19 176.704 176.704 175.535 1.169 17849 4945 1 8 . 1 1 19 19 PHE CA C 19 59.233 59.233 58.895 0.338 17849 4946 1 8 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.437 1.233 17849 4947 1 8 . 1 1 19 19 PHE H H 19 7.468 7.468 7.225 0.243 17849 4948 1 8 . 1 1 20 20 ASP N N 20 117.209 117.209 120.137 -2.928 17849 4949 1 8 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.503 -0.042 17849 4950 1 8 . 1 1 20 20 ASP C C 20 176.557 176.557 176.175 0.382 17849 4951 1 8 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.593 -2.349 17849 4952 1 8 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.121 -1.974 17849 4953 1 8 . 1 1 20 20 ASP H H 20 7.488 7.488 7.857 -0.369 17849 4954 1 8 . 1 1 21 21 LYS N N 21 124.086 124.086 125.656 -1.570 17849 4955 1 8 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.187 -0.189 17849 4956 1 8 . 1 1 21 21 LYS C C 21 177.844 177.844 177.844 0.000 17849 4957 1 8 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.169 0.139 17849 4958 1 8 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.790 -0.338 17849 4959 1 8 . 1 1 21 21 LYS H H 21 7.376 7.376 8.051 -0.675 17849 4960 1 8 . 1 1 22 22 ASP N N 22 114.097 114.097 115.670 -1.573 17849 4961 1 8 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.569 0.035 17849 4962 1 8 . 1 1 22 22 ASP C C 22 176.349 176.349 175.644 0.705 17849 4963 1 8 . 1 1 22 22 ASP CA C 22 52.703 52.703 54.015 -1.312 17849 4964 1 8 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.562 -1.207 17849 4965 1 8 . 1 1 22 22 ASP H H 22 8.113 8.113 8.005 0.108 17849 4966 1 8 . 1 1 23 23 ASN N N 23 115.562 115.562 114.446 1.116 17849 4967 1 8 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.498 -0.103 17849 4968 1 8 . 1 1 23 23 ASN C C 23 174.864 174.864 175.128 -0.264 17849 4969 1 8 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.005 0.396 17849 4970 1 8 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.279 1.645 17849 4971 1 8 . 1 1 23 23 ASN H H 23 8.048 8.048 8.285 -0.237 17849 4972 1 8 . 1 1 24 24 ASN N N 24 117.615 117.615 117.618 -0.003 17849 4973 1 8 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.680 0.155 17849 4974 1 8 . 1 1 24 24 ASN C C 24 177.445 177.445 176.278 1.167 17849 4975 1 8 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.203 -0.788 17849 4976 1 8 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.562 -0.081 17849 4977 1 8 . 1 1 24 24 ASN H H 24 8.517 8.517 8.325 0.192 17849 4978 1 8 . 1 1 25 25 GLY N N 25 114.308 114.308 107.913 6.395 17849 4979 1 8 . 1 1 25 25 GLY C C 25 173.105 173.105 173.272 -0.167 17849 4980 1 8 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.125 0.355 17849 4981 1 8 . 1 1 25 25 GLY H H 25 10.729 10.729 8.216 2.513 17849 4982 1 8 . 1 1 26 26 SER N N 26 113.267 113.267 116.316 -3.049 17849 4983 1 8 . 1 1 26 26 SER HA H 26 5.330 5.330 5.674 -0.344 17849 4984 1 8 . 1 1 26 26 SER C C 26 172.610 172.610 173.229 -0.619 17849 4985 1 8 . 1 1 26 26 SER CA C 26 57.375 57.375 57.181 0.194 17849 4986 1 8 . 1 1 26 26 SER CB C 26 66.504 66.504 66.975 -0.471 17849 4987 1 8 . 1 1 26 26 SER H H 26 7.773 7.773 7.993 -0.220 17849 4988 1 8 . 1 1 27 27 ILE N N 27 127.124 127.124 121.592 5.532 17849 4989 1 8 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.407 0.481 17849 4990 1 8 . 1 1 27 27 ILE C C 27 175.876 175.876 175.247 0.629 17849 4991 1 8 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.128 -0.092 17849 4992 1 8 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.427 -2.531 17849 4993 1 8 . 1 1 27 27 ILE H H 27 9.848 9.848 8.645 1.203 17849 4994 1 8 . 1 1 28 28 SER N N 28 124.825 124.825 118.890 5.935 17849 4995 1 8 . 1 1 28 28 SER HA H 28 4.771 4.771 5.144 -0.373 17849 4996 1 8 . 1 1 28 28 SER C C 28 175.395 175.395 175.962 -0.567 17849 4997 1 8 . 1 1 28 28 SER CA C 28 56.680 56.680 55.035 1.645 17849 4998 1 8 . 1 1 28 28 SER CB C 28 66.154 66.154 65.195 0.959 17849 4999 1 8 . 1 1 28 28 SER H H 28 9.347 9.347 8.341 1.006 17849 5000 1 8 . 1 1 29 29 SER N N 29 116.882 116.882 121.033 -4.151 17849 5001 1 8 . 1 1 29 29 SER HA H 29 4.144 4.144 4.216 -0.072 17849 5002 1 8 . 1 1 29 29 SER C C 29 176.516 176.516 176.536 -0.020 17849 5003 1 8 . 1 1 29 29 SER CA C 29 62.634 62.634 61.615 1.019 17849 5004 1 8 . 1 1 29 29 SER CB C 29 62.227 62.227 62.888 -0.661 17849 5005 1 8 . 1 1 29 29 SER H H 29 9.604 9.604 9.126 0.478 17849 5006 1 8 . 1 1 30 30 SER N N 30 116.141 116.141 117.620 -1.479 17849 5007 1 8 . 1 1 30 30 SER HA H 30 4.327 4.327 4.028 0.299 17849 5008 1 8 . 1 1 30 30 SER C C 30 177.965 177.965 176.274 1.691 17849 5009 1 8 . 1 1 30 30 SER CA C 30 61.341 61.341 61.959 -0.618 17849 5010 1 8 . 1 1 30 30 SER CB C 30 62.429 62.429 62.950 -0.521 17849 5011 1 8 . 1 1 30 30 SER H H 30 8.184 8.184 8.000 0.184 17849 5012 1 8 . 1 1 31 31 GLU N N 31 124.933 124.933 121.928 3.005 17849 5013 1 8 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.028 0.063 17849 5014 1 8 . 1 1 31 31 GLU C C 31 179.355 179.355 178.978 0.377 17849 5015 1 8 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.062 0.380 17849 5016 1 8 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.538 -0.203 17849 5017 1 8 . 1 1 31 31 GLU H H 31 7.973 7.973 8.053 -0.080 17849 5018 1 8 . 1 1 32 32 LEU N N 32 120.778 120.778 120.173 0.605 17849 5019 1 8 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.193 -0.026 17849 5020 1 8 . 1 1 32 32 LEU C C 32 178.364 178.364 178.523 -0.159 17849 5021 1 8 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.999 0.348 17849 5022 1 8 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.003 0.108 17849 5023 1 8 . 1 1 32 32 LEU H H 32 8.616 8.616 8.407 0.209 17849 5024 1 8 . 1 1 33 33 ALA N N 33 120.423 120.423 120.814 -0.391 17849 5025 1 8 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.037 -0.161 17849 5026 1 8 . 1 1 33 33 ALA C C 33 179.394 179.394 179.495 -0.101 17849 5027 1 8 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.310 0.478 17849 5028 1 8 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.032 0.486 17849 5029 1 8 . 1 1 33 33 ALA H H 33 8.688 8.688 8.193 0.495 17849 5030 1 8 . 1 1 34 34 THR N N 34 114.299 114.299 114.274 0.025 17849 5031 1 8 . 1 1 34 34 THR HA H 34 3.902 3.902 4.013 -0.111 17849 5032 1 8 . 1 1 34 34 THR C C 34 177.161 177.161 176.056 1.105 17849 5033 1 8 . 1 1 34 34 THR CA C 34 67.173 67.173 67.152 0.021 17849 5034 1 8 . 1 1 34 34 THR CB C 34 68.712 68.712 68.876 -0.164 17849 5035 1 8 . 1 1 34 34 THR H H 34 8.219 8.219 8.047 0.172 17849 5036 1 8 . 1 1 35 35 VAL N N 35 122.638 122.638 120.232 2.406 17849 5037 1 8 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.836 -0.252 17849 5038 1 8 . 1 1 35 35 VAL C C 35 178.403 178.403 177.182 1.221 17849 5039 1 8 . 1 1 35 35 VAL CA C 35 66.884 66.884 64.790 2.094 17849 5040 1 8 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.216 0.145 17849 5041 1 8 . 1 1 35 35 VAL H H 35 7.791 7.791 7.537 0.254 17849 5042 1 8 . 1 1 36 36 MET N N 36 117.307 117.307 119.840 -2.533 17849 5043 1 8 . 1 1 36 36 MET HA H 36 3.906 3.906 4.110 -0.204 17849 5044 1 8 . 1 1 36 36 MET C C 36 178.456 178.456 178.203 0.253 17849 5045 1 8 . 1 1 36 36 MET CA C 36 59.787 59.787 58.917 0.870 17849 5046 1 8 . 1 1 36 36 MET CB C 36 32.548 32.548 31.710 0.838 17849 5047 1 8 . 1 1 36 36 MET H H 36 8.308 8.308 7.703 0.605 17849 5048 1 8 . 1 1 37 37 ARG N N 37 118.384 118.384 117.675 0.709 17849 5049 1 8 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.148 0.609 17849 5050 1 8 . 1 1 37 37 ARG C C 37 181.371 181.371 178.897 2.474 17849 5051 1 8 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.933 -0.046 17849 5052 1 8 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.242 0.856 17849 5053 1 8 . 1 1 37 37 ARG H H 37 8.634 8.634 8.105 0.529 17849 5054 1 8 . 1 1 38 38 SER N N 38 118.916 118.916 114.377 4.539 17849 5055 1 8 . 1 1 38 38 SER HA H 38 4.339 4.339 4.249 0.090 17849 5056 1 8 . 1 1 38 38 SER C C 38 174.705 174.705 176.648 -1.943 17849 5057 1 8 . 1 1 38 38 SER CA C 38 61.793 61.793 60.677 1.116 17849 5058 1 8 . 1 1 38 38 SER CB C 38 62.713 62.713 63.173 -0.460 17849 5059 1 8 . 1 1 38 38 SER H H 38 8.226 8.226 7.371 0.855 17849 5060 1 8 . 1 1 39 39 LEU N N 39 119.948 119.948 120.151 -0.203 17849 5061 1 8 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.964 0.332 17849 5062 1 8 . 1 1 39 39 LEU C C 39 176.723 176.723 177.995 -1.272 17849 5063 1 8 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.889 -3.329 17849 5064 1 8 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.583 -0.594 17849 5065 1 8 . 1 1 39 39 LEU H H 39 7.331 7.331 7.912 -0.581 17849 5066 1 8 . 1 1 40 40 GLY N N 40 105.997 105.997 103.162 2.835 17849 5067 1 8 . 1 1 40 40 GLY C C 40 174.405 174.405 173.502 0.903 17849 5068 1 8 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.802 0.386 17849 5069 1 8 . 1 1 40 40 GLY H H 40 7.889 7.889 7.967 -0.078 17849 5070 1 8 . 1 1 41 41 LEU N N 41 120.071 120.071 118.191 1.880 17849 5071 1 8 . 1 1 41 41 LEU HA H 41 4.486 4.486 5.071 -0.585 17849 5072 1 8 . 1 1 41 41 LEU C C 41 175.829 175.829 175.104 0.725 17849 5073 1 8 . 1 1 41 41 LEU CA C 41 54.187 54.187 52.660 1.527 17849 5074 1 8 . 1 1 41 41 LEU CB C 41 42.573 42.573 44.003 -1.430 17849 5075 1 8 . 1 1 41 41 LEU H H 41 7.592 7.592 7.632 -0.040 17849 5076 1 8 . 1 1 42 42 SER N N 42 112.869 112.869 114.941 -2.072 17849 5077 1 8 . 1 1 42 42 SER HA H 42 4.797 4.797 4.787 0.010 17849 5078 1 8 . 1 1 42 42 SER CA C 42 54.960 54.960 55.559 -0.599 17849 5079 1 8 . 1 1 42 42 SER CB C 42 63.177 63.177 64.154 -0.977 17849 5080 1 8 . 1 1 42 42 SER H H 42 8.761 8.761 8.342 0.419 17849 5081 1 8 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.625 0.083 17849 5082 1 8 . 1 1 43 43 PRO C C 43 177.533 177.533 176.120 1.413 17849 5083 1 8 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.352 -0.177 17849 5084 1 8 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.325 -0.451 17849 5085 1 8 . 1 1 44 44 SER N N 44 119.089 119.089 118.178 0.911 17849 5086 1 8 . 1 1 44 44 SER HA H 44 4.574 4.574 4.395 0.179 17849 5087 1 8 . 1 1 44 44 SER C C 44 174.803 174.803 176.077 -1.274 17849 5088 1 8 . 1 1 44 44 SER CA C 44 56.786 56.786 57.851 -1.065 17849 5089 1 8 . 1 1 44 44 SER CB C 44 65.387 65.387 64.703 0.684 17849 5090 1 8 . 1 1 44 44 SER H H 44 9.014 9.014 8.162 0.852 17849 5091 1 8 . 1 1 45 45 GLU N N 45 121.343 121.343 123.538 -2.195 17849 5092 1 8 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.924 0.020 17849 5093 1 8 . 1 1 45 45 GLU C C 45 178.978 178.978 178.172 0.806 17849 5094 1 8 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.601 0.505 17849 5095 1 8 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.214 0.089 17849 5096 1 8 . 1 1 45 45 GLU H H 45 8.925 8.925 9.000 -0.075 17849 5097 1 8 . 1 1 46 46 ALA N N 46 120.822 120.822 122.266 -1.444 17849 5098 1 8 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.180 -0.034 17849 5099 1 8 . 1 1 46 46 ALA C C 46 179.782 179.782 179.560 0.222 17849 5100 1 8 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.919 0.167 17849 5101 1 8 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.721 0.535 17849 5102 1 8 . 1 1 46 46 ALA H H 46 8.339 8.339 8.245 0.094 17849 5103 1 8 . 1 1 47 47 GLU N N 47 118.432 118.432 117.823 0.609 17849 5104 1 8 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.125 -0.051 17849 5105 1 8 . 1 1 47 47 GLU C C 47 180.222 180.222 178.859 1.363 17849 5106 1 8 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.052 0.157 17849 5107 1 8 . 1 1 47 47 GLU CB C 47 29.885 29.885 28.927 0.958 17849 5108 1 8 . 1 1 47 47 GLU H H 47 7.759 7.759 8.525 -0.766 17849 5109 1 8 . 1 1 48 48 VAL N N 48 120.023 120.023 119.505 0.518 17849 5110 1 8 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.852 -0.354 17849 5111 1 8 . 1 1 48 48 VAL C C 48 177.380 177.380 177.743 -0.363 17849 5112 1 8 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.037 2.221 17849 5113 1 8 . 1 1 48 48 VAL CB C 48 31.361 31.361 30.958 0.403 17849 5114 1 8 . 1 1 48 48 VAL H H 48 8.174 8.174 8.491 -0.317 17849 5115 1 8 . 1 1 49 49 ASN N N 49 118.475 118.475 119.140 -0.665 17849 5116 1 8 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.465 -0.060 17849 5117 1 8 . 1 1 49 49 ASN C C 49 177.352 177.352 177.293 0.059 17849 5118 1 8 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.820 -0.110 17849 5119 1 8 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.203 0.067 17849 5120 1 8 . 1 1 49 49 ASN H H 49 8.208 8.208 8.168 0.040 17849 5121 1 8 . 1 1 50 50 ASP N N 50 120.147 120.147 120.605 -0.458 17849 5122 1 8 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.493 -0.011 17849 5123 1 8 . 1 1 50 50 ASP C C 50 178.973 178.973 178.329 0.644 17849 5124 1 8 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.713 0.727 17849 5125 1 8 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.958 -0.778 17849 5126 1 8 . 1 1 50 50 ASP H H 50 8.400 8.400 7.715 0.685 17849 5127 1 8 . 1 1 51 51 LEU N N 51 121.706 121.706 119.755 1.951 17849 5128 1 8 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.243 -0.135 17849 5129 1 8 . 1 1 51 51 LEU C C 51 178.796 178.796 178.892 -0.096 17849 5130 1 8 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.034 1.098 17849 5131 1 8 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.207 -0.317 17849 5132 1 8 . 1 1 51 51 LEU H H 51 7.830 7.830 7.902 -0.072 17849 5133 1 8 . 1 1 52 52 MET N N 52 117.267 117.267 117.226 0.041 17849 5134 1 8 . 1 1 52 52 MET HA H 52 4.145 4.145 4.204 -0.059 17849 5135 1 8 . 1 1 52 52 MET C C 52 178.260 178.260 178.685 -0.425 17849 5136 1 8 . 1 1 52 52 MET CA C 52 57.418 57.418 56.924 0.494 17849 5137 1 8 . 1 1 52 52 MET CB C 52 30.089 30.089 31.094 -1.005 17849 5138 1 8 . 1 1 52 52 MET H H 52 8.601 8.601 8.671 -0.070 17849 5139 1 8 . 1 1 53 53 ASN N N 53 115.368 115.368 118.140 -2.772 17849 5140 1 8 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.385 0.188 17849 5141 1 8 . 1 1 53 53 ASN C C 53 176.890 176.890 176.068 0.822 17849 5142 1 8 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.182 -0.850 17849 5143 1 8 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.413 -0.260 17849 5144 1 8 . 1 1 53 53 ASN H H 53 8.239 8.239 7.921 0.318 17849 5145 1 8 . 1 1 54 54 GLU N N 54 117.437 117.437 117.579 -0.142 17849 5146 1 8 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.084 0.166 17849 5147 1 8 . 1 1 54 54 GLU C C 54 177.019 177.019 179.059 -2.040 17849 5148 1 8 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.534 -0.847 17849 5149 1 8 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.759 0.334 17849 5150 1 8 . 1 1 54 54 GLU H H 54 7.625 7.625 7.736 -0.111 17849 5151 1 8 . 1 1 55 55 ILE N N 55 117.098 117.098 118.312 -1.214 17849 5152 1 8 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.681 0.220 17849 5153 1 8 . 1 1 55 55 ILE C C 55 176.027 176.027 176.018 0.009 17849 5154 1 8 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.948 -1.311 17849 5155 1 8 . 1 1 55 55 ILE CB C 55 40.036 40.036 37.901 2.135 17849 5156 1 8 . 1 1 55 55 ILE H H 55 7.496 7.496 7.336 0.160 17849 5157 1 8 . 1 1 56 56 ASP N N 56 118.367 118.367 119.551 -1.184 17849 5158 1 8 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.712 -0.295 17849 5159 1 8 . 1 1 56 56 ASP C C 56 175.761 175.761 176.320 -0.559 17849 5160 1 8 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.449 -0.042 17849 5161 1 8 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.202 0.031 17849 5162 1 8 . 1 1 56 56 ASP H H 56 8.329 8.329 7.661 0.668 17849 5163 1 8 . 1 1 57 57 VAL N N 57 126.262 126.262 122.771 3.491 17849 5164 1 8 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.976 0.030 17849 5165 1 8 . 1 1 57 57 VAL C C 57 177.253 177.253 176.617 0.636 17849 5166 1 8 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.486 0.739 17849 5167 1 8 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.224 0.962 17849 5168 1 8 . 1 1 57 57 VAL H H 57 8.116 8.116 8.184 -0.068 17849 5169 1 8 . 1 1 58 58 ASP N N 58 116.896 116.896 118.040 -1.144 17849 5170 1 8 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.605 -0.033 17849 5171 1 8 . 1 1 58 58 ASP C C 58 177.670 177.670 176.665 1.005 17849 5172 1 8 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.831 -0.026 17849 5173 1 8 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.564 -1.571 17849 5174 1 8 . 1 1 58 58 ASP H H 58 8.356 8.356 8.051 0.305 17849 5175 1 8 . 1 1 59 59 GLY N N 59 107.989 107.989 108.593 -0.604 17849 5176 1 8 . 1 1 59 59 GLY C C 59 174.661 174.661 174.617 0.044 17849 5177 1 8 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.258 1.821 17849 5178 1 8 . 1 1 59 59 GLY H H 59 7.622 7.622 8.126 -0.504 17849 5179 1 8 . 1 1 60 60 ASN N N 60 118.703 118.703 118.541 0.162 17849 5180 1 8 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.653 -0.111 17849 5181 1 8 . 1 1 60 60 ASN C C 60 175.787 175.787 174.590 1.197 17849 5182 1 8 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.124 0.159 17849 5183 1 8 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.078 -1.894 17849 5184 1 8 . 1 1 60 60 ASN H H 60 8.096 8.096 8.377 -0.281 17849 5185 1 8 . 1 1 61 61 HIS N N 61 117.475 117.475 114.088 3.387 17849 5186 1 8 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.231 -0.363 17849 5187 1 8 . 1 1 61 61 HIS C C 61 172.407 172.407 173.283 -0.876 17849 5188 1 8 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.383 -0.954 17849 5189 1 8 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.281 0.692 17849 5190 1 8 . 1 1 61 61 HIS H H 61 9.998 9.998 8.149 1.849 17849 5191 1 8 . 1 1 62 62 GLN N N 62 112.629 112.629 116.122 -3.493 17849 5192 1 8 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.400 -0.591 17849 5193 1 8 . 1 1 62 62 GLN C C 62 174.654 174.654 174.561 0.093 17849 5194 1 8 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.476 -0.668 17849 5195 1 8 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.866 -0.741 17849 5196 1 8 . 1 1 62 62 GLN H H 62 7.541 7.541 8.671 -1.130 17849 5197 1 8 . 1 1 63 63 ILE N N 63 123.800 123.800 124.454 -0.654 17849 5198 1 8 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.481 0.565 17849 5199 1 8 . 1 1 63 63 ILE C C 63 176.626 176.626 175.631 0.995 17849 5200 1 8 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.404 1.490 17849 5201 1 8 . 1 1 63 63 ILE CB C 63 39.180 39.180 38.864 0.316 17849 5202 1 8 . 1 1 63 63 ILE H H 63 9.312 9.312 8.828 0.484 17849 5203 1 8 . 1 1 64 64 GLU N N 64 128.941 128.941 125.787 3.154 17849 5204 1 8 . 1 1 64 64 GLU HA H 64 4.976 4.976 5.139 -0.163 17849 5205 1 8 . 1 1 64 64 GLU C C 64 178.001 178.001 177.275 0.726 17849 5206 1 8 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.340 3.380 17849 5207 1 8 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.716 -1.488 17849 5208 1 8 . 1 1 64 64 GLU H H 64 8.846 8.846 8.671 0.175 17849 5209 1 8 . 1 1 65 65 PHE N N 65 124.119 124.119 122.227 1.892 17849 5210 1 8 . 1 1 65 65 PHE HA H 65 3.526 3.526 3.587 -0.061 17849 5211 1 8 . 1 1 65 65 PHE C C 65 176.981 176.981 177.000 -0.019 17849 5212 1 8 . 1 1 65 65 PHE CA C 65 62.264 62.264 62.248 0.016 17849 5213 1 8 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.057 -1.234 17849 5214 1 8 . 1 1 65 65 PHE H H 65 9.488 9.488 9.153 0.335 17849 5215 1 8 . 1 1 66 66 SER N N 66 112.445 112.445 114.298 -1.853 17849 5216 1 8 . 1 1 66 66 SER HA H 66 3.667 3.667 4.145 -0.478 17849 5217 1 8 . 1 1 66 66 SER C C 66 177.385 177.385 176.092 1.293 17849 5218 1 8 . 1 1 66 66 SER CA C 66 61.503 61.503 61.754 -0.251 17849 5219 1 8 . 1 1 66 66 SER CB C 66 61.285 61.285 62.798 -1.513 17849 5220 1 8 . 1 1 66 66 SER H H 66 8.972 8.972 8.628 0.344 17849 5221 1 8 . 1 1 67 67 GLU N N 67 122.775 122.775 122.776 -0.001 17849 5222 1 8 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.913 0.207 17849 5223 1 8 . 1 1 67 67 GLU C C 67 178.567 178.567 178.914 -0.347 17849 5224 1 8 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.171 -1.328 17849 5225 1 8 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.520 -0.272 17849 5226 1 8 . 1 1 67 67 GLU H H 67 6.799 6.799 7.908 -1.109 17849 5227 1 8 . 1 1 68 68 PHE N N 68 123.231 123.231 119.291 3.940 17849 5228 1 8 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.072 -0.241 17849 5229 1 8 . 1 1 68 68 PHE C C 68 175.936 175.936 176.651 -0.715 17849 5230 1 8 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.507 -0.391 17849 5231 1 8 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.130 1.085 17849 5232 1 8 . 1 1 68 68 PHE H H 68 8.176 8.176 8.635 -0.459 17849 5233 1 8 . 1 1 69 69 LEU N N 69 118.554 118.554 115.139 3.415 17849 5234 1 8 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.895 -0.729 17849 5235 1 8 . 1 1 69 69 LEU C C 69 179.074 179.074 178.388 0.686 17849 5236 1 8 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.450 0.682 17849 5237 1 8 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.838 -0.572 17849 5238 1 8 . 1 1 69 69 LEU H H 69 8.626 8.626 7.347 1.279 17849 5239 1 8 . 1 1 70 70 ALA N N 70 120.878 120.878 124.202 -3.324 17849 5240 1 8 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.889 -0.004 17849 5241 1 8 . 1 1 70 70 ALA C C 70 179.914 179.914 179.237 0.677 17849 5242 1 8 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.892 0.078 17849 5243 1 8 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.722 0.055 17849 5244 1 8 . 1 1 70 70 ALA H H 70 7.322 7.322 7.832 -0.510 17849 5245 1 8 . 1 1 71 71 LEU N N 71 118.871 118.871 115.976 2.895 17849 5246 1 8 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.576 0.352 17849 5247 1 8 . 1 1 71 71 LEU C C 71 178.009 178.009 178.134 -0.125 17849 5248 1 8 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.095 0.649 17849 5249 1 8 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.092 0.320 17849 5250 1 8 . 1 1 71 71 LEU H H 71 7.219 7.219 7.416 -0.197 17849 5251 1 8 . 1 1 72 72 MET N N 72 113.480 113.480 113.992 -0.512 17849 5252 1 8 . 1 1 72 72 MET HA H 72 4.165 4.165 4.269 -0.104 17849 5253 1 8 . 1 1 72 72 MET CA C 72 55.413 55.413 57.629 -2.216 17849 5254 1 8 . 1 1 72 72 MET CB C 72 31.199 31.199 33.519 -2.320 17849 5255 1 8 . 1 1 72 72 MET H H 72 7.486 7.486 7.913 -0.427 17849 5256 1 8 . 1 1 73 73 SER HA H 73 4.337 4.337 4.184 0.153 17849 5257 1 8 . 1 1 73 73 SER C C 73 174.241 174.241 176.299 -2.058 17849 5258 1 8 . 1 1 73 73 SER CA C 73 59.132 59.132 61.477 -2.345 17849 5259 1 8 . 1 1 73 73 SER CB C 73 63.649 63.649 62.759 0.890 17849 5260 1 8 . 1 1 73 73 SER H H 73 7.699 7.699 8.129 -0.430 17849 5261 1 8 . 1 1 74 74 ARG N N 74 121.213 121.213 117.887 3.326 17849 5262 1 8 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.370 -0.159 17849 5263 1 8 . 1 1 74 74 ARG C C 74 175.638 175.638 175.837 -0.199 17849 5264 1 8 . 1 1 74 74 ARG CA C 74 56.850 56.850 56.681 0.169 17849 5265 1 8 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.404 1.268 17849 5266 1 8 . 1 1 74 74 ARG H H 74 7.400 7.400 8.328 -0.928 17849 5267 1 8 . 1 1 75 75 GLN N N 75 118.914 118.914 118.547 0.367 17849 5268 1 8 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.965 0.350 17849 5269 1 8 . 1 1 75 75 GLN H H 75 8.090 8.090 7.638 0.452 17849 5270 1 8 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.538 -0.151 17849 5271 1 8 . 1 1 77 77 LYS C C 77 176.410 176.410 175.902 0.508 17849 5272 1 8 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.571 0.471 17849 5273 1 8 . 1 1 77 77 LYS CB C 77 33.157 33.157 33.508 -0.351 17849 5274 1 8 . 1 1 78 78 SER N N 78 116.257 116.257 114.928 1.329 17849 5275 1 8 . 1 1 78 78 SER HA H 78 4.422 4.422 4.605 -0.183 17849 5276 1 8 . 1 1 78 78 SER C C 78 174.436 174.436 173.632 0.804 17849 5277 1 8 . 1 1 78 78 SER CA C 78 58.366 58.366 56.267 2.099 17849 5278 1 8 . 1 1 78 78 SER CB C 78 63.855 63.855 64.852 -0.997 17849 5279 1 8 . 1 1 78 78 SER H H 78 8.332 8.332 7.591 0.741 17849 5280 1 8 . 1 1 79 79 ASN N N 79 120.267 120.267 119.690 0.577 17849 5281 1 8 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.413 0.314 17849 5282 1 8 . 1 1 79 79 ASN C C 79 174.966 174.966 174.266 0.700 17849 5283 1 8 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.722 -0.255 17849 5284 1 8 . 1 1 79 79 ASN CB C 79 38.869 38.869 37.738 1.131 17849 5285 1 8 . 1 1 79 79 ASN H H 79 8.548 8.548 8.492 0.056 17849 5286 1 8 . 1 1 80 80 ASP N N 80 119.659 119.659 122.342 -2.683 17849 5287 1 8 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.866 -0.249 17849 5288 1 8 . 1 1 80 80 ASP C C 80 176.412 176.412 175.370 1.042 17849 5289 1 8 . 1 1 80 80 ASP CA C 80 54.710 54.710 52.557 2.153 17849 5290 1 8 . 1 1 80 80 ASP CB C 80 41.223 41.223 43.623 -2.400 17849 5291 1 8 . 1 1 80 80 ASP H H 80 8.325 8.325 7.924 0.401 17849 5292 1 8 . 1 1 81 81 SER N N 81 115.425 115.425 115.318 0.107 17849 5293 1 8 . 1 1 81 81 SER HA H 81 4.414 4.414 4.364 0.050 17849 5294 1 8 . 1 1 81 81 SER C C 81 174.733 174.733 174.620 0.113 17849 5295 1 8 . 1 1 81 81 SER CA C 81 59.183 59.183 60.087 -0.904 17849 5296 1 8 . 1 1 81 81 SER CB C 81 63.784 63.784 63.654 0.130 17849 5297 1 8 . 1 1 81 81 SER H H 81 8.256 8.256 8.403 -0.147 17849 5298 1 8 . 1 1 82 82 GLU N N 82 121.456 121.456 121.775 -0.319 17849 5299 1 8 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.285 0.038 17849 5300 1 8 . 1 1 82 82 GLU C C 82 176.385 176.385 175.913 0.472 17849 5301 1 8 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.452 0.276 17849 5302 1 8 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.544 0.328 17849 5303 1 8 . 1 1 82 82 GLU H H 82 8.375 8.375 8.548 -0.173 17849 5304 1 8 . 1 1 83 83 GLN N N 83 120.069 120.069 122.883 -2.814 17849 5305 1 8 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.626 -0.321 17849 5306 1 8 . 1 1 83 83 GLN C C 83 176.054 176.054 176.732 -0.678 17849 5307 1 8 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.134 1.013 17849 5308 1 8 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.864 -0.561 17849 5309 1 8 . 1 1 83 83 GLN H H 83 8.233 8.233 8.434 -0.201 17849 5310 1 8 . 1 1 84 84 GLU N N 84 122.390 122.390 122.309 0.081 17849 5311 1 8 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.208 0.083 17849 5312 1 8 . 1 1 84 84 GLU C C 84 177.528 177.528 176.907 0.621 17849 5313 1 8 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.053 -0.855 17849 5314 1 8 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.455 0.658 17849 5315 1 8 . 1 1 84 84 GLU H H 84 8.567 8.567 8.117 0.450 17849 5316 1 8 . 1 1 85 85 LEU N N 85 122.788 122.788 118.446 4.342 17849 5317 1 8 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.370 -0.175 17849 5318 1 8 . 1 1 85 85 LEU CA C 85 56.517 56.517 54.847 1.669 17849 5319 1 8 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.685 1.731 17849 5320 1 8 . 1 1 85 85 LEU H H 85 8.434 8.434 8.102 0.332 17849 5321 1 8 . 1 1 86 86 LEU N N 86 119.558 119.558 119.864 -0.306 17849 5322 1 8 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.389 -0.232 17849 5323 1 8 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.095 -0.976 17849 5324 1 8 . 1 1 86 86 LEU CB C 86 41.558 41.558 42.725 -1.167 17849 5325 1 8 . 1 1 86 86 LEU H H 86 8.037 8.037 7.424 0.613 17849 5326 1 8 . 1 1 87 87 GLU N N 87 121.323 121.323 118.749 2.574 17849 5327 1 8 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.118 -0.195 17849 5328 1 8 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.136 0.411 17849 5329 1 8 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.013 0.330 17849 5330 1 8 . 1 1 87 87 GLU H H 87 8.192 8.192 8.282 -0.090 17849 5331 1 8 . 1 1 88 88 ALA N N 88 119.942 119.942 119.356 0.586 17849 5332 1 8 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.604 -0.528 17849 5333 1 8 . 1 1 88 88 ALA C C 88 178.281 178.281 176.820 1.461 17849 5334 1 8 . 1 1 88 88 ALA CA C 88 54.481 54.481 52.558 1.923 17849 5335 1 8 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.434 -0.625 17849 5336 1 8 . 1 1 88 88 ALA H H 88 8.363 8.363 7.511 0.852 17849 5337 1 8 . 1 1 89 89 PHE N N 89 111.807 111.807 115.763 -3.956 17849 5338 1 8 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.722 -0.233 17849 5339 1 8 . 1 1 89 89 PHE C C 89 176.632 176.632 175.565 1.067 17849 5340 1 8 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.412 1.066 17849 5341 1 8 . 1 1 89 89 PHE CB C 89 38.642 38.642 41.105 -2.463 17849 5342 1 8 . 1 1 89 89 PHE H H 89 7.855 7.855 7.715 0.140 17849 5343 1 8 . 1 1 90 90 LYS N N 90 120.375 120.375 122.120 -1.745 17849 5344 1 8 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.350 -0.352 17849 5345 1 8 . 1 1 90 90 LYS C C 90 178.490 178.490 178.022 0.468 17849 5346 1 8 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.112 1.882 17849 5347 1 8 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.714 -0.800 17849 5348 1 8 . 1 1 90 90 LYS H H 90 7.957 7.957 7.603 0.354 17849 5349 1 8 . 1 1 91 91 VAL N N 91 116.643 116.643 119.375 -2.732 17849 5350 1 8 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.745 0.129 17849 5351 1 8 . 1 1 91 91 VAL C C 91 175.413 175.413 176.685 -1.272 17849 5352 1 8 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.342 -1.649 17849 5353 1 8 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.740 -0.506 17849 5354 1 8 . 1 1 91 91 VAL H H 91 7.389 7.389 8.368 -0.979 17849 5355 1 8 . 1 1 92 92 PHE N N 92 115.769 115.769 116.546 -0.777 17849 5356 1 8 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.324 0.196 17849 5357 1 8 . 1 1 92 92 PHE CA C 92 59.175 59.175 60.100 -0.925 17849 5358 1 8 . 1 1 92 92 PHE CB C 92 40.234 40.234 39.125 1.109 17849 5359 1 8 . 1 1 92 92 PHE H H 92 7.534 7.534 7.788 -0.254 17849 5360 1 8 . 1 1 93 93 ASP N N 93 115.397 115.397 118.786 -3.389 17849 5361 1 8 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.664 0.194 17849 5362 1 8 . 1 1 93 93 ASP C C 93 177.421 177.421 176.923 0.498 17849 5363 1 8 . 1 1 93 93 ASP CA C 93 52.466 52.466 54.700 -2.234 17849 5364 1 8 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.699 -1.719 17849 5365 1 8 . 1 1 93 93 ASP H H 93 7.543 7.543 8.139 -0.596 17849 5366 1 8 . 1 1 94 94 LYS N N 94 125.591 125.591 125.299 0.292 17849 5367 1 8 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.271 -0.192 17849 5368 1 8 . 1 1 94 94 LYS C C 94 177.856 177.856 177.239 0.617 17849 5369 1 8 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.701 1.229 17849 5370 1 8 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.638 -0.244 17849 5371 1 8 . 1 1 94 94 LYS H H 94 7.873 7.873 8.306 -0.433 17849 5372 1 8 . 1 1 95 95 ASN N N 95 112.796 112.796 116.662 -3.866 17849 5373 1 8 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.728 0.069 17849 5374 1 8 . 1 1 95 95 ASN C C 95 176.619 176.619 175.514 1.105 17849 5375 1 8 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.605 -0.695 17849 5376 1 8 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.485 -0.209 17849 5377 1 8 . 1 1 95 95 ASN H H 95 8.272 8.272 7.808 0.464 17849 5378 1 8 . 1 1 96 96 GLY N N 96 109.132 109.132 108.305 0.827 17849 5379 1 8 . 1 1 96 96 GLY C C 96 174.799 174.799 174.511 0.288 17849 5380 1 8 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.419 1.152 17849 5381 1 8 . 1 1 96 96 GLY H H 96 7.654 7.654 7.737 -0.083 17849 5382 1 8 . 1 1 97 97 ASP N N 97 118.796 118.796 121.455 -2.659 17849 5383 1 8 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.630 -0.100 17849 5384 1 8 . 1 1 97 97 ASP C C 97 177.137 177.137 177.747 -0.610 17849 5385 1 8 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.341 0.051 17849 5386 1 8 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.687 -1.298 17849 5387 1 8 . 1 1 97 97 ASP H H 97 8.090 8.090 8.576 -0.486 17849 5388 1 8 . 1 1 98 98 GLY N N 98 112.962 112.962 107.416 5.546 17849 5389 1 8 . 1 1 98 98 GLY C C 98 172.142 172.142 173.509 -1.367 17849 5390 1 8 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.520 0.204 17849 5391 1 8 . 1 1 98 98 GLY H H 98 10.329 10.329 7.956 2.373 17849 5392 1 8 . 1 1 99 99 LEU N N 99 119.691 119.691 118.850 0.841 17849 5393 1 8 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.673 0.089 17849 5394 1 8 . 1 1 99 99 LEU C C 99 176.162 176.162 174.171 1.991 17849 5395 1 8 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.297 -1.473 17849 5396 1 8 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.644 -0.862 17849 5397 1 8 . 1 1 99 99 LEU H H 99 8.000 8.000 8.331 -0.331 17849 5398 1 8 . 1 1 100 100 ILE N N 100 127.464 127.464 115.938 11.526 17849 5399 1 8 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.949 -0.275 17849 5400 1 8 . 1 1 100 100 ILE C C 100 175.006 175.006 175.188 -0.182 17849 5401 1 8 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.773 0.647 17849 5402 1 8 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.572 -2.760 17849 5403 1 8 . 1 1 100 100 ILE H H 100 9.491 9.491 8.205 1.286 17849 5404 1 8 . 1 1 101 101 SER N N 101 123.104 123.104 118.382 4.722 17849 5405 1 8 . 1 1 101 101 SER HA H 101 4.770 4.770 5.018 -0.248 17849 5406 1 8 . 1 1 101 101 SER C C 101 174.847 174.847 175.324 -0.477 17849 5407 1 8 . 1 1 101 101 SER CA C 101 55.854 55.854 57.079 -1.225 17849 5408 1 8 . 1 1 101 101 SER CB C 101 65.994 65.994 65.933 0.061 17849 5409 1 8 . 1 1 101 101 SER H H 101 9.058 9.058 8.202 0.856 17849 5410 1 8 . 1 1 102 102 ALA N N 102 124.316 124.316 123.784 0.532 17849 5411 1 8 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.364 -0.748 17849 5412 1 8 . 1 1 102 102 ALA C C 102 179.388 179.388 179.204 0.184 17849 5413 1 8 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.637 0.087 17849 5414 1 8 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.749 -0.434 17849 5415 1 8 . 1 1 102 102 ALA H H 102 8.587 8.587 8.139 0.448 17849 5416 1 8 . 1 1 103 103 ALA N N 103 118.346 118.346 120.145 -1.799 17849 5417 1 8 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.033 -0.033 17849 5418 1 8 . 1 1 103 103 ALA C C 103 181.188 181.188 179.394 1.794 17849 5419 1 8 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.798 0.260 17849 5420 1 8 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.106 0.283 17849 5421 1 8 . 1 1 103 103 ALA H H 103 8.266 8.266 8.092 0.174 17849 5422 1 8 . 1 1 104 104 GLU N N 104 120.568 120.568 116.846 3.722 17849 5423 1 8 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.247 -0.191 17849 5424 1 8 . 1 1 104 104 GLU C C 104 178.762 178.762 177.922 0.840 17849 5425 1 8 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.420 1.548 17849 5426 1 8 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.757 -0.846 17849 5427 1 8 . 1 1 104 104 GLU H H 104 7.928 7.928 8.132 -0.204 17849 5428 1 8 . 1 1 105 105 LEU N N 105 117.903 117.903 120.598 -2.695 17849 5429 1 8 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.511 -0.481 17849 5430 1 8 . 1 1 105 105 LEU C C 105 178.497 178.497 178.389 0.108 17849 5431 1 8 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.677 1.776 17849 5432 1 8 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.479 0.713 17849 5433 1 8 . 1 1 105 105 LEU H H 105 7.926 7.926 8.402 -0.476 17849 5434 1 8 . 1 1 106 106 LYS N N 106 115.836 115.836 119.492 -3.656 17849 5435 1 8 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.176 -0.377 17849 5436 1 8 . 1 1 106 106 LYS C C 106 179.102 179.102 177.827 1.275 17849 5437 1 8 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.839 1.333 17849 5438 1 8 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.340 0.270 17849 5439 1 8 . 1 1 106 106 LYS H H 106 8.337 8.337 8.079 0.258 17849 5440 1 8 . 1 1 107 107 HIS N N 107 119.620 119.620 117.955 1.665 17849 5441 1 8 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.543 -0.289 17849 5442 1 8 . 1 1 107 107 HIS C C 107 178.167 178.167 177.822 0.345 17849 5443 1 8 . 1 1 107 107 HIS CA C 107 59.928 59.928 59.595 0.333 17849 5444 1 8 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.751 -0.167 17849 5445 1 8 . 1 1 107 107 HIS H H 107 8.502 8.502 7.704 0.798 17849 5446 1 8 . 1 1 108 108 VAL N N 108 118.595 118.595 118.961 -0.366 17849 5447 1 8 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.559 0.097 17849 5448 1 8 . 1 1 108 108 VAL C C 108 178.608 178.608 176.993 1.615 17849 5449 1 8 . 1 1 108 108 VAL CA C 108 66.356 66.356 66.052 0.304 17849 5450 1 8 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.448 0.867 17849 5451 1 8 . 1 1 108 108 VAL H H 108 8.348 8.348 7.790 0.558 17849 5452 1 8 . 1 1 109 109 LEU N N 109 116.755 116.755 118.398 -1.643 17849 5453 1 8 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.007 0.137 17849 5454 1 8 . 1 1 109 109 LEU C C 109 179.267 179.267 178.363 0.904 17849 5455 1 8 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.579 -0.125 17849 5456 1 8 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.642 0.461 17849 5457 1 8 . 1 1 109 109 LEU H H 109 8.251 8.251 7.547 0.704 17849 5458 1 8 . 1 1 110 110 THR N N 110 111.046 111.046 111.303 -0.257 17849 5459 1 8 . 1 1 110 110 THR HA H 110 4.256 4.256 4.237 0.019 17849 5460 1 8 . 1 1 110 110 THR C C 110 175.897 175.897 175.115 0.782 17849 5461 1 8 . 1 1 110 110 THR CA C 110 64.465 64.465 64.161 0.304 17849 5462 1 8 . 1 1 110 110 THR CB C 110 69.431 69.431 69.308 0.123 17849 5463 1 8 . 1 1 110 110 THR H H 110 8.085 8.085 7.968 0.117 17849 5464 1 8 . 1 1 111 111 SER N N 111 117.074 117.074 118.002 -0.928 17849 5465 1 8 . 1 1 111 111 SER HA H 111 4.406 4.406 4.078 0.328 17849 5466 1 8 . 1 1 111 111 SER C C 111 175.051 175.051 175.386 -0.335 17849 5467 1 8 . 1 1 111 111 SER CA C 111 59.968 59.968 61.813 -1.845 17849 5468 1 8 . 1 1 111 111 SER CB C 111 63.391 63.391 63.410 -0.019 17849 5469 1 8 . 1 1 111 111 SER H H 111 7.681 7.681 7.341 0.340 17849 5470 1 8 . 1 1 112 112 ILE N N 112 119.783 119.783 115.125 4.658 17849 5471 1 8 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.860 0.231 17849 5472 1 8 . 1 1 112 112 ILE C C 112 177.040 177.040 175.545 1.495 17849 5473 1 8 . 1 1 112 112 ILE CA C 112 62.524 62.524 62.331 0.193 17849 5474 1 8 . 1 1 112 112 ILE CB C 112 38.344 38.344 36.415 1.929 17849 5475 1 8 . 1 1 112 112 ILE H H 112 7.444 7.444 7.868 -0.424 17849 5476 1 8 . 1 1 113 113 GLY N N 113 110.432 110.432 107.300 3.132 17849 5477 1 8 . 1 1 113 113 GLY C C 113 174.442 174.442 173.513 0.929 17849 5478 1 8 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.604 1.039 17849 5479 1 8 . 1 1 113 113 GLY H H 113 8.148 8.148 7.459 0.689 17849 5480 1 8 . 1 1 114 114 GLU N N 114 120.374 120.374 120.154 0.220 17849 5481 1 8 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.212 0.054 17849 5482 1 8 . 1 1 114 114 GLU C C 114 176.556 176.556 175.657 0.899 17849 5483 1 8 . 1 1 114 114 GLU CA C 114 56.773 56.773 54.619 2.154 17849 5484 1 8 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.994 -0.704 17849 5485 1 8 . 1 1 114 114 GLU H H 114 8.092 8.092 7.470 0.622 17849 5486 1 8 . 1 1 115 115 LYS N N 115 121.383 121.383 117.357 4.026 17849 5487 1 8 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.004 0.331 17849 5488 1 8 . 1 1 115 115 LYS C C 115 176.654 176.654 175.470 1.184 17849 5489 1 8 . 1 1 115 115 LYS CA C 115 56.299 56.299 57.440 -1.141 17849 5490 1 8 . 1 1 115 115 LYS CB C 115 32.839 32.839 30.088 2.751 17849 5491 1 8 . 1 1 115 115 LYS H H 115 8.221 8.221 8.470 -0.249 17849 5492 1 8 . 1 1 116 116 LEU N N 116 123.146 123.146 113.825 9.321 17849 5493 1 8 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.622 -0.201 17849 5494 1 8 . 1 1 116 116 LEU C C 116 177.677 177.677 176.375 1.302 17849 5495 1 8 . 1 1 116 116 LEU CA C 116 55.320 55.320 55.821 -0.501 17849 5496 1 8 . 1 1 116 116 LEU CB C 116 42.309 42.309 42.583 -0.274 17849 5497 1 8 . 1 1 116 116 LEU H H 116 8.265 8.265 7.958 0.307 17849 5498 1 8 . 1 1 117 117 THR N N 117 113.859 113.859 107.884 5.975 17849 5499 1 8 . 1 1 117 117 THR HA H 117 4.337 4.337 4.460 -0.123 17849 5500 1 8 . 1 1 117 117 THR C C 117 174.535 174.535 173.453 1.082 17849 5501 1 8 . 1 1 117 117 THR CA C 117 61.824 61.824 61.367 0.457 17849 5502 1 8 . 1 1 117 117 THR CB C 117 70.096 70.096 71.330 -1.234 17849 5503 1 8 . 1 1 117 117 THR H H 117 8.182 8.182 7.517 0.665 17849 5504 1 8 . 1 1 118 118 ASP N N 118 122.049 122.049 121.240 0.809 17849 5505 1 8 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.811 -0.278 17849 5506 1 8 . 1 1 118 118 ASP C C 118 176.728 176.728 177.652 -0.924 17849 5507 1 8 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.122 0.096 17849 5508 1 8 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.500 -0.648 17849 5509 1 8 . 1 1 118 118 ASP H H 118 8.367 8.367 8.565 -0.198 17849 5510 1 8 . 1 1 119 119 ALA N N 119 123.432 123.432 121.143 2.289 17849 5511 1 8 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.361 -0.142 17849 5512 1 8 . 1 1 119 119 ALA C C 119 178.486 178.486 178.172 0.314 17849 5513 1 8 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.396 0.037 17849 5514 1 8 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.610 0.465 17849 5515 1 8 . 1 1 119 119 ALA H H 119 8.206 8.206 7.733 0.473 17849 5516 1 8 . 1 1 120 120 GLU N N 120 118.592 118.592 117.043 1.549 17849 5517 1 8 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.033 0.149 17849 5518 1 8 . 1 1 120 120 GLU C C 120 177.133 177.133 177.521 -0.388 17849 5519 1 8 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.761 -1.656 17849 5520 1 8 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.476 0.576 17849 5521 1 8 . 1 1 120 120 GLU H H 120 8.187 8.187 8.117 0.070 17849 5522 1 8 . 1 1 121 121 LEU N N 121 121.427 121.427 112.032 9.395 17849 5523 1 8 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.649 -0.445 17849 5524 1 8 . 1 1 121 121 LEU C C 121 177.710 177.710 177.071 0.639 17849 5525 1 8 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.333 0.419 17849 5526 1 8 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.383 -1.125 17849 5527 1 8 . 1 1 121 121 LEU H H 121 8.020 8.020 7.355 0.665 17849 5528 1 8 . 1 1 122 122 GLU N N 122 119.850 119.850 120.987 -1.137 17849 5529 1 8 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.142 -0.015 17849 5530 1 8 . 1 1 122 122 GLU C C 122 176.518 176.518 175.571 0.947 17849 5531 1 8 . 1 1 122 122 GLU CA C 122 57.014 57.014 56.741 0.273 17849 5532 1 8 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.721 0.334 17849 5533 1 8 . 1 1 122 122 GLU H H 122 8.118 8.118 7.612 0.506 17849 5534 1 8 . 1 1 123 123 HIS N N 123 118.817 118.817 123.637 -4.820 17849 5535 1 8 . 1 1 123 123 HIS CA C 123 56.259 56.259 54.710 1.549 17849 5536 1 8 . 1 1 123 123 HIS H H 123 8.106 8.106 8.569 -0.463 17849 5537 1 9 . 1 1 2 2 SER HA H 2 4.507 4.507 4.828 -0.321 17849 5538 1 9 . 1 1 2 2 SER CA C 2 58.342 58.342 57.299 1.043 17849 5539 1 9 . 1 1 2 2 SER CB C 2 63.883 63.883 64.680 -0.797 17849 5540 1 9 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.589 0.175 17849 5541 1 9 . 1 1 3 3 ASN C C 3 174.784 174.784 175.295 -0.511 17849 5542 1 9 . 1 1 3 3 ASN CA C 3 53.125 53.125 53.004 0.121 17849 5543 1 9 . 1 1 3 3 ASN CB C 3 38.893 38.893 38.783 0.110 17849 5544 1 9 . 1 1 4 4 LEU N N 4 121.466 121.466 120.427 1.039 17849 5545 1 9 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.505 0.195 17849 5546 1 9 . 1 1 4 4 LEU C C 4 177.665 177.665 176.723 0.942 17849 5547 1 9 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.227 -0.715 17849 5548 1 9 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.003 1.636 17849 5549 1 9 . 1 1 4 4 LEU H H 4 8.097 8.097 8.518 -0.421 17849 5550 1 9 . 1 1 5 5 THR N N 5 112.990 112.990 115.742 -2.752 17849 5551 1 9 . 1 1 5 5 THR HA H 5 4.481 4.481 4.665 -0.184 17849 5552 1 9 . 1 1 5 5 THR C C 5 175.474 175.474 175.018 0.456 17849 5553 1 9 . 1 1 5 5 THR CA C 5 60.528 60.528 59.731 0.797 17849 5554 1 9 . 1 1 5 5 THR CB C 5 71.244 71.244 71.647 -0.402 17849 5555 1 9 . 1 1 5 5 THR H H 5 8.778 8.778 8.034 0.744 17849 5556 1 9 . 1 1 6 6 GLU N N 6 120.343 120.343 120.291 0.052 17849 5557 1 9 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.878 0.124 17849 5558 1 9 . 1 1 6 6 GLU C C 6 179.568 179.568 178.501 1.067 17849 5559 1 9 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.063 0.113 17849 5560 1 9 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.227 -0.002 17849 5561 1 9 . 1 1 6 6 GLU H H 6 9.078 9.078 8.949 0.129 17849 5562 1 9 . 1 1 7 7 GLU N N 7 119.544 119.544 119.807 -0.263 17849 5563 1 9 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.908 0.203 17849 5564 1 9 . 1 1 7 7 GLU C C 7 179.170 179.170 179.001 0.169 17849 5565 1 9 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.712 1.325 17849 5566 1 9 . 1 1 7 7 GLU CB C 7 29.117 29.117 28.781 0.336 17849 5567 1 9 . 1 1 7 7 GLU H H 7 8.820 8.820 7.741 1.079 17849 5568 1 9 . 1 1 8 8 GLN N N 8 119.824 119.824 118.490 1.334 17849 5569 1 9 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.672 0.492 17849 5570 1 9 . 1 1 8 8 GLN C C 8 179.652 179.652 178.008 1.644 17849 5571 1 9 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.232 0.520 17849 5572 1 9 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.257 1.482 17849 5573 1 9 . 1 1 8 8 GLN H H 8 7.812 7.812 7.485 0.327 17849 5574 1 9 . 1 1 9 9 ILE N N 9 120.978 120.978 119.774 1.204 17849 5575 1 9 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.520 0.332 17849 5576 1 9 . 1 1 9 9 ILE C C 9 177.899 177.899 178.151 -0.252 17849 5577 1 9 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.420 1.156 17849 5578 1 9 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.441 0.548 17849 5579 1 9 . 1 1 9 9 ILE H H 9 8.634 8.634 8.453 0.181 17849 5580 1 9 . 1 1 10 10 ALA N N 10 121.528 121.528 121.058 0.470 17849 5581 1 9 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.011 0.095 17849 5582 1 9 . 1 1 10 10 ALA C C 10 180.886 180.886 179.771 1.115 17849 5583 1 9 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.480 -0.062 17849 5584 1 9 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.820 -0.045 17849 5585 1 9 . 1 1 10 10 ALA H H 10 8.142 8.142 8.244 -0.102 17849 5586 1 9 . 1 1 11 11 GLU N N 11 118.807 118.807 119.316 -0.509 17849 5587 1 9 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.096 0.118 17849 5588 1 9 . 1 1 11 11 GLU C C 11 180.292 180.292 179.363 0.929 17849 5589 1 9 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.993 0.371 17849 5590 1 9 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.126 0.662 17849 5591 1 9 . 1 1 11 11 GLU H H 11 7.810 7.810 7.668 0.142 17849 5592 1 9 . 1 1 12 12 PHE N N 12 118.671 118.671 118.861 -0.190 17849 5593 1 9 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.427 0.220 17849 5594 1 9 . 1 1 12 12 PHE C C 12 179.032 179.032 178.430 0.602 17849 5595 1 9 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.347 3.813 17849 5596 1 9 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.531 1.484 17849 5597 1 9 . 1 1 12 12 PHE H H 12 8.432 8.432 8.573 -0.141 17849 5598 1 9 . 1 1 13 13 LYS N N 13 123.536 123.536 118.547 4.989 17849 5599 1 9 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.035 -0.195 17849 5600 1 9 . 1 1 13 13 LYS C C 13 179.114 179.114 179.372 -0.258 17849 5601 1 9 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.812 0.276 17849 5602 1 9 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.105 -0.453 17849 5603 1 9 . 1 1 13 13 LYS H H 13 8.981 8.981 8.422 0.559 17849 5604 1 9 . 1 1 14 14 GLU N N 14 119.691 119.691 119.541 0.150 17849 5605 1 9 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.359 -0.262 17849 5606 1 9 . 1 1 14 14 GLU C C 14 179.285 179.285 178.613 0.672 17849 5607 1 9 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.508 0.737 17849 5608 1 9 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.828 -0.187 17849 5609 1 9 . 1 1 14 14 GLU H H 14 7.737 7.737 8.309 -0.572 17849 5610 1 9 . 1 1 15 15 ALA N N 15 120.127 120.127 122.993 -2.866 17849 5611 1 9 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.228 -0.061 17849 5612 1 9 . 1 1 15 15 ALA C C 15 178.607 178.607 179.633 -1.026 17849 5613 1 9 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.103 -0.044 17849 5614 1 9 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.605 0.526 17849 5615 1 9 . 1 1 15 15 ALA H H 15 7.747 7.747 8.576 -0.829 17849 5616 1 9 . 1 1 16 16 PHE N N 16 119.058 119.058 118.057 1.001 17849 5617 1 9 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.885 -0.578 17849 5618 1 9 . 1 1 16 16 PHE C C 16 177.236 177.236 176.542 0.694 17849 5619 1 9 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.247 1.458 17849 5620 1 9 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.120 0.632 17849 5621 1 9 . 1 1 16 16 PHE H H 16 8.908 8.908 8.601 0.307 17849 5622 1 9 . 1 1 17 17 ALA N N 17 119.352 119.352 122.937 -3.585 17849 5623 1 9 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.190 -0.067 17849 5624 1 9 . 1 1 17 17 ALA C C 17 178.680 178.680 178.793 -0.113 17849 5625 1 9 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.871 -0.332 17849 5626 1 9 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.390 -0.175 17849 5627 1 9 . 1 1 17 17 ALA H H 17 7.877 7.877 7.825 0.052 17849 5628 1 9 . 1 1 18 18 LEU N N 18 115.281 115.281 117.309 -2.028 17849 5629 1 9 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.991 0.063 17849 5630 1 9 . 1 1 18 18 LEU C C 18 178.393 178.393 178.267 0.126 17849 5631 1 9 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.586 -0.944 17849 5632 1 9 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.319 0.424 17849 5633 1 9 . 1 1 18 18 LEU H H 18 7.369 7.369 8.418 -1.049 17849 5634 1 9 . 1 1 19 19 PHE N N 19 115.719 115.719 114.667 1.052 17849 5635 1 9 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.344 -0.135 17849 5636 1 9 . 1 1 19 19 PHE C C 19 176.704 176.704 176.164 0.540 17849 5637 1 9 . 1 1 19 19 PHE CA C 19 59.233 59.233 60.003 -0.770 17849 5638 1 9 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.189 1.481 17849 5639 1 9 . 1 1 19 19 PHE H H 19 7.468 7.468 7.758 -0.290 17849 5640 1 9 . 1 1 20 20 ASP N N 20 117.209 117.209 119.486 -2.277 17849 5641 1 9 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.438 0.023 17849 5642 1 9 . 1 1 20 20 ASP C C 20 176.557 176.557 176.237 0.320 17849 5643 1 9 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.334 -3.089 17849 5644 1 9 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.188 -3.041 17849 5645 1 9 . 1 1 20 20 ASP H H 20 7.488 7.488 7.827 -0.339 17849 5646 1 9 . 1 1 21 21 LYS N N 21 124.086 124.086 124.437 -0.351 17849 5647 1 9 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.180 -0.182 17849 5648 1 9 . 1 1 21 21 LYS C C 21 177.844 177.844 177.433 0.411 17849 5649 1 9 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.076 0.232 17849 5650 1 9 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.877 -0.425 17849 5651 1 9 . 1 1 21 21 LYS H H 21 7.376 7.376 8.588 -1.212 17849 5652 1 9 . 1 1 22 22 ASP N N 22 114.097 114.097 115.905 -1.808 17849 5653 1 9 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.582 0.022 17849 5654 1 9 . 1 1 22 22 ASP C C 22 176.349 176.349 175.638 0.711 17849 5655 1 9 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.536 -0.833 17849 5656 1 9 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.168 -0.813 17849 5657 1 9 . 1 1 22 22 ASP H H 22 8.113 8.113 8.310 -0.197 17849 5658 1 9 . 1 1 23 23 ASN N N 23 115.562 115.562 116.192 -0.630 17849 5659 1 9 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.552 -0.157 17849 5660 1 9 . 1 1 23 23 ASN C C 23 174.864 174.864 175.541 -0.677 17849 5661 1 9 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.947 0.453 17849 5662 1 9 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.786 1.138 17849 5663 1 9 . 1 1 23 23 ASN H H 23 8.048 8.048 8.178 -0.130 17849 5664 1 9 . 1 1 24 24 ASN N N 24 117.615 117.615 117.136 0.479 17849 5665 1 9 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.679 0.156 17849 5666 1 9 . 1 1 24 24 ASN C C 24 177.445 177.445 175.842 1.603 17849 5667 1 9 . 1 1 24 24 ASN CA C 24 52.415 52.415 52.990 -0.575 17849 5668 1 9 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.879 -0.398 17849 5669 1 9 . 1 1 24 24 ASN H H 24 8.517 8.517 8.875 -0.358 17849 5670 1 9 . 1 1 25 25 GLY N N 25 114.308 114.308 107.728 6.580 17849 5671 1 9 . 1 1 25 25 GLY C C 25 173.105 173.105 172.945 0.160 17849 5672 1 9 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.960 0.520 17849 5673 1 9 . 1 1 25 25 GLY H H 25 10.729 10.729 8.827 1.902 17849 5674 1 9 . 1 1 26 26 SER N N 26 113.267 113.267 116.459 -3.192 17849 5675 1 9 . 1 1 26 26 SER HA H 26 5.330 5.330 5.648 -0.318 17849 5676 1 9 . 1 1 26 26 SER C C 26 172.610 172.610 173.891 -1.281 17849 5677 1 9 . 1 1 26 26 SER CA C 26 57.375 57.375 56.802 0.573 17849 5678 1 9 . 1 1 26 26 SER CB C 26 66.504 66.504 65.700 0.804 17849 5679 1 9 . 1 1 26 26 SER H H 26 7.773 7.773 8.034 -0.261 17849 5680 1 9 . 1 1 27 27 ILE N N 27 127.124 127.124 123.797 3.327 17849 5681 1 9 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.340 0.548 17849 5682 1 9 . 1 1 27 27 ILE C C 27 175.876 175.876 175.548 0.328 17849 5683 1 9 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.604 -0.568 17849 5684 1 9 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.267 -1.371 17849 5685 1 9 . 1 1 27 27 ILE H H 27 9.848 9.848 8.927 0.921 17849 5686 1 9 . 1 1 28 28 SER N N 28 124.825 124.825 118.196 6.629 17849 5687 1 9 . 1 1 28 28 SER HA H 28 4.771 4.771 5.069 -0.298 17849 5688 1 9 . 1 1 28 28 SER C C 28 175.395 175.395 175.756 -0.361 17849 5689 1 9 . 1 1 28 28 SER CA C 28 56.680 56.680 55.539 1.141 17849 5690 1 9 . 1 1 28 28 SER CB C 28 66.154 66.154 65.448 0.705 17849 5691 1 9 . 1 1 28 28 SER H H 28 9.347 9.347 8.524 0.823 17849 5692 1 9 . 1 1 29 29 SER N N 29 116.882 116.882 121.878 -4.996 17849 5693 1 9 . 1 1 29 29 SER HA H 29 4.144 4.144 4.209 -0.065 17849 5694 1 9 . 1 1 29 29 SER C C 29 176.516 176.516 176.449 0.067 17849 5695 1 9 . 1 1 29 29 SER CA C 29 62.634 62.634 61.401 1.233 17849 5696 1 9 . 1 1 29 29 SER CB C 29 62.227 62.227 63.093 -0.866 17849 5697 1 9 . 1 1 29 29 SER H H 29 9.604 9.604 9.202 0.402 17849 5698 1 9 . 1 1 30 30 SER N N 30 116.141 116.141 117.778 -1.637 17849 5699 1 9 . 1 1 30 30 SER HA H 30 4.327 4.327 4.042 0.285 17849 5700 1 9 . 1 1 30 30 SER C C 30 177.965 177.965 176.290 1.675 17849 5701 1 9 . 1 1 30 30 SER CA C 30 61.341 61.341 61.775 -0.434 17849 5702 1 9 . 1 1 30 30 SER CB C 30 62.429 62.429 62.649 -0.220 17849 5703 1 9 . 1 1 30 30 SER H H 30 8.184 8.184 7.837 0.347 17849 5704 1 9 . 1 1 31 31 GLU N N 31 124.933 124.933 121.747 3.186 17849 5705 1 9 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.039 0.052 17849 5706 1 9 . 1 1 31 31 GLU C C 31 179.355 179.355 178.793 0.562 17849 5707 1 9 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.151 0.291 17849 5708 1 9 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.389 -0.054 17849 5709 1 9 . 1 1 31 31 GLU H H 31 7.973 7.973 8.258 -0.285 17849 5710 1 9 . 1 1 32 32 LEU N N 32 120.778 120.778 120.154 0.624 17849 5711 1 9 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.198 -0.031 17849 5712 1 9 . 1 1 32 32 LEU C C 32 178.364 178.364 178.996 -0.632 17849 5713 1 9 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.718 0.629 17849 5714 1 9 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.930 0.181 17849 5715 1 9 . 1 1 32 32 LEU H H 32 8.616 8.616 8.259 0.357 17849 5716 1 9 . 1 1 33 33 ALA N N 33 120.423 120.423 121.701 -1.278 17849 5717 1 9 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.016 -0.140 17849 5718 1 9 . 1 1 33 33 ALA C C 33 179.394 179.394 179.264 0.130 17849 5719 1 9 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.337 0.452 17849 5720 1 9 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.083 0.435 17849 5721 1 9 . 1 1 33 33 ALA H H 33 8.688 8.688 8.558 0.130 17849 5722 1 9 . 1 1 34 34 THR N N 34 114.299 114.299 114.613 -0.314 17849 5723 1 9 . 1 1 34 34 THR HA H 34 3.902 3.902 3.973 -0.071 17849 5724 1 9 . 1 1 34 34 THR C C 34 177.161 177.161 176.100 1.061 17849 5725 1 9 . 1 1 34 34 THR CA C 34 67.173 67.173 67.130 0.043 17849 5726 1 9 . 1 1 34 34 THR CB C 34 68.712 68.712 68.754 -0.042 17849 5727 1 9 . 1 1 34 34 THR H H 34 8.219 8.219 8.192 0.027 17849 5728 1 9 . 1 1 35 35 VAL N N 35 122.638 122.638 119.670 2.968 17849 5729 1 9 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.737 -0.153 17849 5730 1 9 . 1 1 35 35 VAL C C 35 178.403 178.403 177.218 1.185 17849 5731 1 9 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.730 1.154 17849 5732 1 9 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.657 -0.296 17849 5733 1 9 . 1 1 35 35 VAL H H 35 7.791 7.791 7.653 0.138 17849 5734 1 9 . 1 1 36 36 MET N N 36 117.307 117.307 118.840 -1.533 17849 5735 1 9 . 1 1 36 36 MET HA H 36 3.906 3.906 4.189 -0.283 17849 5736 1 9 . 1 1 36 36 MET C C 36 178.456 178.456 178.280 0.176 17849 5737 1 9 . 1 1 36 36 MET CA C 36 59.787 59.787 58.543 1.244 17849 5738 1 9 . 1 1 36 36 MET CB C 36 32.548 32.548 31.835 0.713 17849 5739 1 9 . 1 1 36 36 MET H H 36 8.308 8.308 7.292 1.016 17849 5740 1 9 . 1 1 37 37 ARG N N 37 118.384 118.384 117.389 0.995 17849 5741 1 9 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.340 0.417 17849 5742 1 9 . 1 1 37 37 ARG C C 37 181.371 181.371 178.227 3.144 17849 5743 1 9 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.705 0.182 17849 5744 1 9 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.520 0.578 17849 5745 1 9 . 1 1 37 37 ARG H H 37 8.634 8.634 8.313 0.321 17849 5746 1 9 . 1 1 38 38 SER N N 38 118.916 118.916 111.621 7.295 17849 5747 1 9 . 1 1 38 38 SER HA H 38 4.339 4.339 4.319 0.020 17849 5748 1 9 . 1 1 38 38 SER C C 38 174.705 174.705 175.569 -0.864 17849 5749 1 9 . 1 1 38 38 SER CA C 38 61.793 61.793 59.392 2.401 17849 5750 1 9 . 1 1 38 38 SER CB C 38 62.713 62.713 63.147 -0.434 17849 5751 1 9 . 1 1 38 38 SER H H 38 8.226 8.226 7.428 0.798 17849 5752 1 9 . 1 1 39 39 LEU N N 39 119.948 119.948 119.616 0.332 17849 5753 1 9 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.107 0.189 17849 5754 1 9 . 1 1 39 39 LEU C C 39 176.723 176.723 177.661 -0.938 17849 5755 1 9 . 1 1 39 39 LEU CA C 39 54.560 54.560 56.474 -1.914 17849 5756 1 9 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.541 -0.552 17849 5757 1 9 . 1 1 39 39 LEU H H 39 7.331 7.331 7.806 -0.475 17849 5758 1 9 . 1 1 40 40 GLY N N 40 105.997 105.997 104.294 1.703 17849 5759 1 9 . 1 1 40 40 GLY C C 40 174.405 174.405 173.901 0.504 17849 5760 1 9 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.900 0.288 17849 5761 1 9 . 1 1 40 40 GLY H H 40 7.889 7.889 7.928 -0.039 17849 5762 1 9 . 1 1 41 41 LEU N N 41 120.071 120.071 119.318 0.753 17849 5763 1 9 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.803 -0.317 17849 5764 1 9 . 1 1 41 41 LEU C C 41 175.829 175.829 174.905 0.924 17849 5765 1 9 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.828 0.359 17849 5766 1 9 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.619 -1.046 17849 5767 1 9 . 1 1 41 41 LEU H H 41 7.592 7.592 7.471 0.121 17849 5768 1 9 . 1 1 42 42 SER N N 42 112.869 112.869 114.956 -2.087 17849 5769 1 9 . 1 1 42 42 SER HA H 42 4.797 4.797 4.887 -0.090 17849 5770 1 9 . 1 1 42 42 SER CA C 42 54.960 54.960 54.702 0.258 17849 5771 1 9 . 1 1 42 42 SER CB C 42 63.177 63.177 63.196 -0.019 17849 5772 1 9 . 1 1 42 42 SER H H 42 8.761 8.761 8.493 0.268 17849 5773 1 9 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.609 0.099 17849 5774 1 9 . 1 1 43 43 PRO C C 43 177.533 177.533 175.961 1.572 17849 5775 1 9 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.365 -0.190 17849 5776 1 9 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.818 -0.944 17849 5777 1 9 . 1 1 44 44 SER N N 44 119.089 119.089 117.857 1.232 17849 5778 1 9 . 1 1 44 44 SER HA H 44 4.574 4.574 4.540 0.034 17849 5779 1 9 . 1 1 44 44 SER C C 44 174.803 174.803 175.867 -1.064 17849 5780 1 9 . 1 1 44 44 SER CA C 44 56.786 56.786 56.823 -0.037 17849 5781 1 9 . 1 1 44 44 SER CB C 44 65.387 65.387 64.607 0.780 17849 5782 1 9 . 1 1 44 44 SER H H 44 9.014 9.014 8.218 0.796 17849 5783 1 9 . 1 1 45 45 GLU N N 45 121.343 121.343 127.020 -5.677 17849 5784 1 9 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.794 0.150 17849 5785 1 9 . 1 1 45 45 GLU C C 45 178.978 178.978 178.011 0.967 17849 5786 1 9 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.066 0.040 17849 5787 1 9 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.813 -0.510 17849 5788 1 9 . 1 1 45 45 GLU H H 45 8.925 8.925 9.118 -0.193 17849 5789 1 9 . 1 1 46 46 ALA N N 46 120.822 120.822 120.880 -0.058 17849 5790 1 9 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.183 -0.037 17849 5791 1 9 . 1 1 46 46 ALA C C 46 179.782 179.782 179.802 -0.020 17849 5792 1 9 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.733 0.353 17849 5793 1 9 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.165 0.091 17849 5794 1 9 . 1 1 46 46 ALA H H 46 8.339 8.339 8.165 0.174 17849 5795 1 9 . 1 1 47 47 GLU N N 47 118.432 118.432 119.454 -1.022 17849 5796 1 9 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.020 0.054 17849 5797 1 9 . 1 1 47 47 GLU C C 47 180.222 180.222 179.012 1.210 17849 5798 1 9 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.776 -0.567 17849 5799 1 9 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.167 0.718 17849 5800 1 9 . 1 1 47 47 GLU H H 47 7.759 7.759 7.627 0.132 17849 5801 1 9 . 1 1 48 48 VAL N N 48 120.023 120.023 119.961 0.062 17849 5802 1 9 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.534 -0.036 17849 5803 1 9 . 1 1 48 48 VAL C C 48 177.380 177.380 177.734 -0.354 17849 5804 1 9 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.506 0.752 17849 5805 1 9 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.330 0.031 17849 5806 1 9 . 1 1 48 48 VAL H H 48 8.174 8.174 8.668 -0.494 17849 5807 1 9 . 1 1 49 49 ASN N N 49 118.475 118.475 115.599 2.876 17849 5808 1 9 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.358 0.047 17849 5809 1 9 . 1 1 49 49 ASN C C 49 177.352 177.352 175.978 1.374 17849 5810 1 9 . 1 1 49 49 ASN CA C 49 56.710 56.710 55.894 0.816 17849 5811 1 9 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.818 0.452 17849 5812 1 9 . 1 1 49 49 ASN H H 49 8.208 8.208 7.926 0.282 17849 5813 1 9 . 1 1 50 50 ASP N N 50 120.147 120.147 119.056 1.091 17849 5814 1 9 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.554 -0.072 17849 5815 1 9 . 1 1 50 50 ASP C C 50 178.973 178.973 178.896 0.077 17849 5816 1 9 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.223 1.217 17849 5817 1 9 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.290 -1.110 17849 5818 1 9 . 1 1 50 50 ASP H H 50 8.400 8.400 7.295 1.105 17849 5819 1 9 . 1 1 51 51 LEU N N 51 121.706 121.706 120.289 1.417 17849 5820 1 9 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.024 0.084 17849 5821 1 9 . 1 1 51 51 LEU C C 51 178.796 178.796 179.148 -0.352 17849 5822 1 9 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.483 0.649 17849 5823 1 9 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.634 0.256 17849 5824 1 9 . 1 1 51 51 LEU H H 51 7.830 7.830 7.748 0.082 17849 5825 1 9 . 1 1 52 52 MET N N 52 117.267 117.267 115.402 1.865 17849 5826 1 9 . 1 1 52 52 MET HA H 52 4.145 4.145 4.319 -0.174 17849 5827 1 9 . 1 1 52 52 MET C C 52 178.260 178.260 177.303 0.957 17849 5828 1 9 . 1 1 52 52 MET CA C 52 57.418 57.418 57.846 -0.428 17849 5829 1 9 . 1 1 52 52 MET CB C 52 30.089 30.089 32.565 -2.476 17849 5830 1 9 . 1 1 52 52 MET H H 52 8.601 8.601 8.727 -0.126 17849 5831 1 9 . 1 1 53 53 ASN N N 53 115.368 115.368 118.528 -3.160 17849 5832 1 9 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.529 0.044 17849 5833 1 9 . 1 1 53 53 ASN C C 53 176.890 176.890 176.373 0.517 17849 5834 1 9 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.092 -0.760 17849 5835 1 9 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.846 -0.692 17849 5836 1 9 . 1 1 53 53 ASN H H 53 8.239 8.239 8.317 -0.078 17849 5837 1 9 . 1 1 54 54 GLU N N 54 117.437 117.437 116.743 0.694 17849 5838 1 9 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.231 0.019 17849 5839 1 9 . 1 1 54 54 GLU C C 54 177.019 177.019 177.685 -0.666 17849 5840 1 9 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.348 -0.661 17849 5841 1 9 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.758 0.335 17849 5842 1 9 . 1 1 54 54 GLU H H 54 7.625 7.625 7.589 0.036 17849 5843 1 9 . 1 1 55 55 ILE N N 55 117.098 117.098 118.125 -1.027 17849 5844 1 9 . 1 1 55 55 ILE HA H 55 3.901 3.901 4.064 -0.163 17849 5845 1 9 . 1 1 55 55 ILE C C 55 176.027 176.027 175.566 0.461 17849 5846 1 9 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.336 0.301 17849 5847 1 9 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.538 1.498 17849 5848 1 9 . 1 1 55 55 ILE H H 55 7.496 7.496 7.388 0.108 17849 5849 1 9 . 1 1 56 56 ASP N N 56 118.367 118.367 121.577 -3.210 17849 5850 1 9 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.797 -0.380 17849 5851 1 9 . 1 1 56 56 ASP C C 56 175.761 175.761 176.060 -0.299 17849 5852 1 9 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.499 -0.092 17849 5853 1 9 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.263 -0.030 17849 5854 1 9 . 1 1 56 56 ASP H H 56 8.329 8.329 7.948 0.381 17849 5855 1 9 . 1 1 57 57 VAL N N 57 126.262 126.262 123.524 2.738 17849 5856 1 9 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.007 -0.001 17849 5857 1 9 . 1 1 57 57 VAL C C 57 177.253 177.253 176.458 0.795 17849 5858 1 9 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.791 0.434 17849 5859 1 9 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.421 0.765 17849 5860 1 9 . 1 1 57 57 VAL H H 57 8.116 8.116 8.533 -0.417 17849 5861 1 9 . 1 1 58 58 ASP N N 58 116.896 116.896 118.940 -2.044 17849 5862 1 9 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.603 -0.031 17849 5863 1 9 . 1 1 58 58 ASP C C 58 177.670 177.670 176.836 0.834 17849 5864 1 9 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.773 0.032 17849 5865 1 9 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.250 -1.257 17849 5866 1 9 . 1 1 58 58 ASP H H 58 8.356 8.356 8.085 0.271 17849 5867 1 9 . 1 1 59 59 GLY N N 59 107.989 107.989 108.699 -0.710 17849 5868 1 9 . 1 1 59 59 GLY C C 59 174.661 174.661 174.662 -0.001 17849 5869 1 9 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.350 1.728 17849 5870 1 9 . 1 1 59 59 GLY H H 59 7.622 7.622 8.127 -0.505 17849 5871 1 9 . 1 1 60 60 ASN N N 60 118.703 118.703 118.793 -0.090 17849 5872 1 9 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.408 0.134 17849 5873 1 9 . 1 1 60 60 ASN C C 60 175.787 175.787 174.305 1.482 17849 5874 1 9 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.009 0.274 17849 5875 1 9 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.057 -1.873 17849 5876 1 9 . 1 1 60 60 ASN H H 60 8.096 8.096 8.597 -0.501 17849 5877 1 9 . 1 1 61 61 HIS N N 61 117.475 117.475 113.853 3.622 17849 5878 1 9 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.292 -0.423 17849 5879 1 9 . 1 1 61 61 HIS C C 61 172.407 172.407 173.355 -0.948 17849 5880 1 9 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.281 -0.853 17849 5881 1 9 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.092 0.881 17849 5882 1 9 . 1 1 61 61 HIS H H 61 9.998 9.998 8.268 1.730 17849 5883 1 9 . 1 1 62 62 GLN N N 62 112.629 112.629 116.359 -3.730 17849 5884 1 9 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.412 -0.603 17849 5885 1 9 . 1 1 62 62 GLN C C 62 174.654 174.654 174.728 -0.074 17849 5886 1 9 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.480 -0.672 17849 5887 1 9 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.908 -0.783 17849 5888 1 9 . 1 1 62 62 GLN H H 62 7.541 7.541 8.862 -1.321 17849 5889 1 9 . 1 1 63 63 ILE N N 63 123.800 123.800 125.854 -2.054 17849 5890 1 9 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.645 0.401 17849 5891 1 9 . 1 1 63 63 ILE C C 63 176.626 176.626 176.236 0.390 17849 5892 1 9 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.361 1.532 17849 5893 1 9 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.665 1.515 17849 5894 1 9 . 1 1 63 63 ILE H H 63 9.312 9.312 8.653 0.659 17849 5895 1 9 . 1 1 64 64 GLU N N 64 128.941 128.941 127.408 1.533 17849 5896 1 9 . 1 1 64 64 GLU HA H 64 4.976 4.976 5.303 -0.327 17849 5897 1 9 . 1 1 64 64 GLU C C 64 178.001 178.001 177.771 0.230 17849 5898 1 9 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.713 3.007 17849 5899 1 9 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.413 -1.185 17849 5900 1 9 . 1 1 64 64 GLU H H 64 8.846 8.846 8.826 0.020 17849 5901 1 9 . 1 1 65 65 PHE N N 65 124.119 124.119 121.598 2.521 17849 5902 1 9 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.146 -0.620 17849 5903 1 9 . 1 1 65 65 PHE C C 65 176.981 176.981 177.006 -0.025 17849 5904 1 9 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.742 0.522 17849 5905 1 9 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.088 -1.264 17849 5906 1 9 . 1 1 65 65 PHE H H 65 9.488 9.488 9.045 0.443 17849 5907 1 9 . 1 1 66 66 SER N N 66 112.445 112.445 114.596 -2.151 17849 5908 1 9 . 1 1 66 66 SER HA H 66 3.667 3.667 4.202 -0.535 17849 5909 1 9 . 1 1 66 66 SER C C 66 177.385 177.385 176.620 0.765 17849 5910 1 9 . 1 1 66 66 SER CA C 66 61.503 61.503 61.948 -0.445 17849 5911 1 9 . 1 1 66 66 SER CB C 66 61.285 61.285 62.431 -1.146 17849 5912 1 9 . 1 1 66 66 SER H H 66 8.972 8.972 8.672 0.300 17849 5913 1 9 . 1 1 67 67 GLU N N 67 122.775 122.775 122.600 0.175 17849 5914 1 9 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.056 0.064 17849 5915 1 9 . 1 1 67 67 GLU C C 67 178.567 178.567 178.892 -0.325 17849 5916 1 9 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.307 -1.464 17849 5917 1 9 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.623 -0.374 17849 5918 1 9 . 1 1 67 67 GLU H H 67 6.799 6.799 7.889 -1.090 17849 5919 1 9 . 1 1 68 68 PHE N N 68 123.231 123.231 120.133 3.098 17849 5920 1 9 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.131 -0.300 17849 5921 1 9 . 1 1 68 68 PHE C C 68 175.936 175.936 177.883 -1.947 17849 5922 1 9 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.518 -0.402 17849 5923 1 9 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.385 0.830 17849 5924 1 9 . 1 1 68 68 PHE H H 68 8.176 8.176 8.783 -0.607 17849 5925 1 9 . 1 1 69 69 LEU N N 69 118.554 118.554 118.901 -0.347 17849 5926 1 9 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.577 -0.411 17849 5927 1 9 . 1 1 69 69 LEU C C 69 179.074 179.074 178.593 0.481 17849 5928 1 9 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.646 -0.514 17849 5929 1 9 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.405 -0.139 17849 5930 1 9 . 1 1 69 69 LEU H H 69 8.626 8.626 7.796 0.830 17849 5931 1 9 . 1 1 70 70 ALA N N 70 120.878 120.878 121.068 -0.190 17849 5932 1 9 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.005 -0.120 17849 5933 1 9 . 1 1 70 70 ALA C C 70 179.914 179.914 179.667 0.247 17849 5934 1 9 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.553 0.417 17849 5935 1 9 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.910 -0.133 17849 5936 1 9 . 1 1 70 70 ALA H H 70 7.322 7.322 7.684 -0.362 17849 5937 1 9 . 1 1 71 71 LEU N N 71 118.871 118.871 117.854 1.017 17849 5938 1 9 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.511 0.417 17849 5939 1 9 . 1 1 71 71 LEU C C 71 178.009 178.009 178.706 -0.697 17849 5940 1 9 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.307 0.437 17849 5941 1 9 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.335 0.077 17849 5942 1 9 . 1 1 71 71 LEU H H 71 7.219 7.219 7.357 -0.138 17849 5943 1 9 . 1 1 72 72 MET N N 72 113.480 113.480 114.250 -0.770 17849 5944 1 9 . 1 1 72 72 MET HA H 72 4.165 4.165 4.202 -0.037 17849 5945 1 9 . 1 1 72 72 MET CA C 72 55.413 55.413 57.584 -2.171 17849 5946 1 9 . 1 1 72 72 MET CB C 72 31.199 31.199 32.847 -1.648 17849 5947 1 9 . 1 1 72 72 MET H H 72 7.486 7.486 7.381 0.105 17849 5948 1 9 . 1 1 73 73 SER HA H 73 4.337 4.337 4.382 -0.045 17849 5949 1 9 . 1 1 73 73 SER C C 73 174.241 174.241 174.829 -0.588 17849 5950 1 9 . 1 1 73 73 SER CA C 73 59.132 59.132 57.737 1.395 17849 5951 1 9 . 1 1 73 73 SER CB C 73 63.649 63.649 62.907 0.742 17849 5952 1 9 . 1 1 73 73 SER H H 73 7.699 7.699 7.581 0.118 17849 5953 1 9 . 1 1 74 74 ARG N N 74 121.213 121.213 119.497 1.716 17849 5954 1 9 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.087 0.124 17849 5955 1 9 . 1 1 74 74 ARG C C 74 175.638 175.638 175.400 0.238 17849 5956 1 9 . 1 1 74 74 ARG CA C 74 56.850 56.850 56.704 0.146 17849 5957 1 9 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.524 0.148 17849 5958 1 9 . 1 1 74 74 ARG H H 74 7.400 7.400 7.263 0.137 17849 5959 1 9 . 1 1 75 75 GLN N N 75 118.914 118.914 116.783 2.131 17849 5960 1 9 . 1 1 75 75 GLN CB C 75 29.315 29.315 30.204 -0.889 17849 5961 1 9 . 1 1 75 75 GLN H H 75 8.090 8.090 7.274 0.816 17849 5962 1 9 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.422 -0.035 17849 5963 1 9 . 1 1 77 77 LYS C C 77 176.410 176.410 174.763 1.647 17849 5964 1 9 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.215 0.827 17849 5965 1 9 . 1 1 77 77 LYS CB C 77 33.157 33.157 35.538 -2.381 17849 5966 1 9 . 1 1 78 78 SER N N 78 116.257 116.257 116.615 -0.358 17849 5967 1 9 . 1 1 78 78 SER HA H 78 4.422 4.422 4.253 0.169 17849 5968 1 9 . 1 1 78 78 SER C C 78 174.436 174.436 173.874 0.562 17849 5969 1 9 . 1 1 78 78 SER CA C 78 58.366 58.366 59.354 -0.988 17849 5970 1 9 . 1 1 78 78 SER CB C 78 63.855 63.855 62.846 1.009 17849 5971 1 9 . 1 1 78 78 SER H H 78 8.332 8.332 8.396 -0.064 17849 5972 1 9 . 1 1 79 79 ASN N N 79 120.267 120.267 124.359 -4.092 17849 5973 1 9 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.803 -0.076 17849 5974 1 9 . 1 1 79 79 ASN C C 79 174.966 174.966 173.367 1.599 17849 5975 1 9 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.392 1.075 17849 5976 1 9 . 1 1 79 79 ASN CB C 79 38.869 38.869 40.504 -1.635 17849 5977 1 9 . 1 1 79 79 ASN H H 79 8.548 8.548 7.966 0.582 17849 5978 1 9 . 1 1 80 80 ASP N N 80 119.659 119.659 120.791 -1.132 17849 5979 1 9 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.948 -0.331 17849 5980 1 9 . 1 1 80 80 ASP C C 80 176.412 176.412 175.170 1.242 17849 5981 1 9 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.154 0.556 17849 5982 1 9 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.204 1.019 17849 5983 1 9 . 1 1 80 80 ASP H H 80 8.325 8.325 8.530 -0.205 17849 5984 1 9 . 1 1 81 81 SER N N 81 115.425 115.425 118.433 -3.008 17849 5985 1 9 . 1 1 81 81 SER HA H 81 4.414 4.414 4.500 -0.086 17849 5986 1 9 . 1 1 81 81 SER C C 81 174.733 174.733 172.486 2.247 17849 5987 1 9 . 1 1 81 81 SER CA C 81 59.183 59.183 57.619 1.564 17849 5988 1 9 . 1 1 81 81 SER CB C 81 63.784 63.784 65.397 -1.613 17849 5989 1 9 . 1 1 81 81 SER H H 81 8.256 8.256 8.137 0.119 17849 5990 1 9 . 1 1 82 82 GLU N N 82 121.456 121.456 121.927 -0.471 17849 5991 1 9 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.224 0.099 17849 5992 1 9 . 1 1 82 82 GLU C C 82 176.385 176.385 176.244 0.141 17849 5993 1 9 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.958 -0.230 17849 5994 1 9 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.941 -0.069 17849 5995 1 9 . 1 1 82 82 GLU H H 82 8.375 8.375 8.551 -0.176 17849 5996 1 9 . 1 1 83 83 GLN N N 83 120.069 120.069 124.805 -4.736 17849 5997 1 9 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.359 -0.054 17849 5998 1 9 . 1 1 83 83 GLN C C 83 176.054 176.054 177.271 -1.217 17849 5999 1 9 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.005 -0.858 17849 6000 1 9 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.985 -0.682 17849 6001 1 9 . 1 1 83 83 GLN H H 83 8.233 8.233 8.440 -0.207 17849 6002 1 9 . 1 1 84 84 GLU N N 84 122.390 122.390 119.358 3.032 17849 6003 1 9 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.128 0.163 17849 6004 1 9 . 1 1 84 84 GLU C C 84 177.528 177.528 177.926 -0.398 17849 6005 1 9 . 1 1 84 84 GLU CA C 84 57.198 57.198 59.208 -2.010 17849 6006 1 9 . 1 1 84 84 GLU CB C 84 30.113 30.113 27.892 2.221 17849 6007 1 9 . 1 1 84 84 GLU H H 84 8.567 8.567 8.681 -0.114 17849 6008 1 9 . 1 1 85 85 LEU N N 85 122.788 122.788 120.310 2.478 17849 6009 1 9 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.131 0.064 17849 6010 1 9 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.559 -1.042 17849 6011 1 9 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.206 1.210 17849 6012 1 9 . 1 1 85 85 LEU H H 85 8.434 8.434 7.701 0.733 17849 6013 1 9 . 1 1 86 86 LEU N N 86 119.558 119.558 120.699 -1.141 17849 6014 1 9 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.862 0.295 17849 6015 1 9 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.888 -1.769 17849 6016 1 9 . 1 1 86 86 LEU CB C 86 41.558 41.558 40.924 0.634 17849 6017 1 9 . 1 1 86 86 LEU H H 86 8.037 8.037 7.518 0.519 17849 6018 1 9 . 1 1 87 87 GLU N N 87 121.323 121.323 118.552 2.771 17849 6019 1 9 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.896 0.027 17849 6020 1 9 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.283 0.264 17849 6021 1 9 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.185 0.158 17849 6022 1 9 . 1 1 87 87 GLU H H 87 8.192 8.192 8.655 -0.463 17849 6023 1 9 . 1 1 88 88 ALA N N 88 119.942 119.942 119.895 0.047 17849 6024 1 9 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.189 -0.113 17849 6025 1 9 . 1 1 88 88 ALA C C 88 178.281 178.281 178.161 0.120 17849 6026 1 9 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.718 0.763 17849 6027 1 9 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.807 0.003 17849 6028 1 9 . 1 1 88 88 ALA H H 88 8.363 8.363 8.098 0.265 17849 6029 1 9 . 1 1 89 89 PHE N N 89 111.807 111.807 116.843 -5.036 17849 6030 1 9 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.063 0.426 17849 6031 1 9 . 1 1 89 89 PHE C C 89 176.632 176.632 175.418 1.214 17849 6032 1 9 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.912 1.566 17849 6033 1 9 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.258 0.384 17849 6034 1 9 . 1 1 89 89 PHE H H 89 7.855 7.855 7.884 -0.029 17849 6035 1 9 . 1 1 90 90 LYS N N 90 120.375 120.375 120.911 -0.536 17849 6036 1 9 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.177 -0.179 17849 6037 1 9 . 1 1 90 90 LYS C C 90 178.490 178.490 177.885 0.605 17849 6038 1 9 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.428 2.566 17849 6039 1 9 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.385 -0.471 17849 6040 1 9 . 1 1 90 90 LYS H H 90 7.957 7.957 7.478 0.479 17849 6041 1 9 . 1 1 91 91 VAL N N 91 116.643 116.643 119.486 -2.843 17849 6042 1 9 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.662 0.212 17849 6043 1 9 . 1 1 91 91 VAL C C 91 175.413 175.413 175.841 -0.428 17849 6044 1 9 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.017 -1.324 17849 6045 1 9 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.947 -0.713 17849 6046 1 9 . 1 1 91 91 VAL H H 91 7.389 7.389 7.329 0.060 17849 6047 1 9 . 1 1 92 92 PHE N N 92 115.769 115.769 112.408 3.361 17849 6048 1 9 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.468 0.052 17849 6049 1 9 . 1 1 92 92 PHE CA C 92 59.175 59.175 56.761 2.414 17849 6050 1 9 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.805 1.429 17849 6051 1 9 . 1 1 92 92 PHE H H 92 7.534 7.534 7.179 0.355 17849 6052 1 9 . 1 1 93 93 ASP N N 93 115.397 115.397 120.304 -4.907 17849 6053 1 9 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.075 -0.217 17849 6054 1 9 . 1 1 93 93 ASP C C 93 177.421 177.421 176.663 0.758 17849 6055 1 9 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.429 -0.963 17849 6056 1 9 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.447 -1.466 17849 6057 1 9 . 1 1 93 93 ASP H H 93 7.543 7.543 7.956 -0.413 17849 6058 1 9 . 1 1 94 94 LYS N N 94 125.591 125.591 124.700 0.891 17849 6059 1 9 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.306 -0.227 17849 6060 1 9 . 1 1 94 94 LYS C C 94 177.856 177.856 177.689 0.167 17849 6061 1 9 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.030 0.900 17849 6062 1 9 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.754 -0.360 17849 6063 1 9 . 1 1 94 94 LYS H H 94 7.873 7.873 8.173 -0.300 17849 6064 1 9 . 1 1 95 95 ASN N N 95 112.796 112.796 117.427 -4.631 17849 6065 1 9 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.640 0.157 17849 6066 1 9 . 1 1 95 95 ASN C C 95 176.619 176.619 176.073 0.546 17849 6067 1 9 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.748 -1.838 17849 6068 1 9 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.619 -1.343 17849 6069 1 9 . 1 1 95 95 ASN H H 95 8.272 8.272 8.196 0.076 17849 6070 1 9 . 1 1 96 96 GLY N N 96 109.132 109.132 109.295 -0.163 17849 6071 1 9 . 1 1 96 96 GLY C C 96 174.799 174.799 173.912 0.887 17849 6072 1 9 . 1 1 96 96 GLY CA C 96 47.571 47.571 45.851 1.720 17849 6073 1 9 . 1 1 96 96 GLY H H 96 7.654 7.654 8.170 -0.516 17849 6074 1 9 . 1 1 97 97 ASP N N 97 118.796 118.796 120.937 -2.141 17849 6075 1 9 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.697 -0.167 17849 6076 1 9 . 1 1 97 97 ASP C C 97 177.137 177.137 177.731 -0.594 17849 6077 1 9 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.791 -0.399 17849 6078 1 9 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.465 -1.077 17849 6079 1 9 . 1 1 97 97 ASP H H 97 8.090 8.090 8.410 -0.320 17849 6080 1 9 . 1 1 98 98 GLY N N 98 112.962 112.962 107.862 5.100 17849 6081 1 9 . 1 1 98 98 GLY C C 98 172.142 172.142 174.186 -2.044 17849 6082 1 9 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.795 -0.071 17849 6083 1 9 . 1 1 98 98 GLY H H 98 10.329 10.329 8.543 1.786 17849 6084 1 9 . 1 1 99 99 LEU N N 99 119.691 119.691 120.256 -0.565 17849 6085 1 9 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.774 -0.012 17849 6086 1 9 . 1 1 99 99 LEU C C 99 176.162 176.162 174.711 1.451 17849 6087 1 9 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.487 -0.663 17849 6088 1 9 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.783 -1.001 17849 6089 1 9 . 1 1 99 99 LEU H H 99 8.000 8.000 8.385 -0.385 17849 6090 1 9 . 1 1 100 100 ILE N N 100 127.464 127.464 119.707 7.757 17849 6091 1 9 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.704 -0.030 17849 6092 1 9 . 1 1 100 100 ILE C C 100 175.006 175.006 174.757 0.249 17849 6093 1 9 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.425 0.995 17849 6094 1 9 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.911 -3.100 17849 6095 1 9 . 1 1 100 100 ILE H H 100 9.491 9.491 8.227 1.264 17849 6096 1 9 . 1 1 101 101 SER N N 101 123.104 123.104 119.677 3.427 17849 6097 1 9 . 1 1 101 101 SER HA H 101 4.770 4.770 4.919 -0.149 17849 6098 1 9 . 1 1 101 101 SER C C 101 174.847 174.847 175.505 -0.658 17849 6099 1 9 . 1 1 101 101 SER CA C 101 55.854 55.854 57.102 -1.248 17849 6100 1 9 . 1 1 101 101 SER CB C 101 65.994 65.994 65.277 0.717 17849 6101 1 9 . 1 1 101 101 SER H H 101 9.058 9.058 8.342 0.716 17849 6102 1 9 . 1 1 102 102 ALA N N 102 124.316 124.316 123.383 0.933 17849 6103 1 9 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.402 -0.786 17849 6104 1 9 . 1 1 102 102 ALA C C 102 179.388 179.388 179.017 0.371 17849 6105 1 9 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.533 0.191 17849 6106 1 9 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.848 -1.533 17849 6107 1 9 . 1 1 102 102 ALA H H 102 8.587 8.587 8.657 -0.070 17849 6108 1 9 . 1 1 103 103 ALA N N 103 118.346 118.346 120.777 -2.431 17849 6109 1 9 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.102 -0.102 17849 6110 1 9 . 1 1 103 103 ALA C C 103 181.188 181.188 180.027 1.161 17849 6111 1 9 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.446 0.612 17849 6112 1 9 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.328 0.061 17849 6113 1 9 . 1 1 103 103 ALA H H 103 8.266 8.266 8.255 0.011 17849 6114 1 9 . 1 1 104 104 GLU N N 104 120.568 120.568 120.491 0.077 17849 6115 1 9 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.123 -0.067 17849 6116 1 9 . 1 1 104 104 GLU C C 104 178.762 178.762 178.712 0.050 17849 6117 1 9 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.573 0.395 17849 6118 1 9 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.439 -0.528 17849 6119 1 9 . 1 1 104 104 GLU H H 104 7.928 7.928 8.525 -0.597 17849 6120 1 9 . 1 1 105 105 LEU N N 105 117.903 117.903 117.605 0.298 17849 6121 1 9 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.967 0.062 17849 6122 1 9 . 1 1 105 105 LEU C C 105 178.497 178.497 177.714 0.783 17849 6123 1 9 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.280 1.173 17849 6124 1 9 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.258 0.934 17849 6125 1 9 . 1 1 105 105 LEU H H 105 7.926 7.926 8.397 -0.471 17849 6126 1 9 . 1 1 106 106 LYS N N 106 115.836 115.836 115.356 0.480 17849 6127 1 9 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.323 -0.524 17849 6128 1 9 . 1 1 106 106 LYS C C 106 179.102 179.102 177.592 1.510 17849 6129 1 9 . 1 1 106 106 LYS CA C 106 60.172 60.172 57.322 2.849 17849 6130 1 9 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.623 -0.013 17849 6131 1 9 . 1 1 106 106 LYS H H 106 8.337 8.337 7.952 0.385 17849 6132 1 9 . 1 1 107 107 HIS N N 107 119.620 119.620 119.311 0.309 17849 6133 1 9 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.523 -0.269 17849 6134 1 9 . 1 1 107 107 HIS C C 107 178.167 178.167 177.482 0.685 17849 6135 1 9 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.048 1.880 17849 6136 1 9 . 1 1 107 107 HIS CB C 107 30.584 30.584 31.242 -0.658 17849 6137 1 9 . 1 1 107 107 HIS H H 107 8.502 8.502 7.943 0.559 17849 6138 1 9 . 1 1 108 108 VAL N N 108 118.595 118.595 118.493 0.102 17849 6139 1 9 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.657 -0.001 17849 6140 1 9 . 1 1 108 108 VAL C C 108 178.608 178.608 176.546 2.062 17849 6141 1 9 . 1 1 108 108 VAL CA C 108 66.356 66.356 66.025 0.331 17849 6142 1 9 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.677 1.638 17849 6143 1 9 . 1 1 108 108 VAL H H 108 8.348 8.348 7.623 0.725 17849 6144 1 9 . 1 1 109 109 LEU N N 109 116.755 116.755 115.518 1.237 17849 6145 1 9 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.095 0.049 17849 6146 1 9 . 1 1 109 109 LEU C C 109 179.267 179.267 177.874 1.393 17849 6147 1 9 . 1 1 109 109 LEU CA C 109 57.454 57.454 56.878 0.576 17849 6148 1 9 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.467 0.637 17849 6149 1 9 . 1 1 109 109 LEU H H 109 8.251 8.251 7.422 0.829 17849 6150 1 9 . 1 1 110 110 THR N N 110 111.046 111.046 111.421 -0.375 17849 6151 1 9 . 1 1 110 110 THR HA H 110 4.256 4.256 4.366 -0.110 17849 6152 1 9 . 1 1 110 110 THR C C 110 175.897 175.897 174.479 1.418 17849 6153 1 9 . 1 1 110 110 THR CA C 110 64.465 64.465 63.288 1.176 17849 6154 1 9 . 1 1 110 110 THR CB C 110 69.431 69.431 69.517 -0.086 17849 6155 1 9 . 1 1 110 110 THR H H 110 8.085 8.085 7.616 0.469 17849 6156 1 9 . 1 1 111 111 SER N N 111 117.074 117.074 117.504 -0.430 17849 6157 1 9 . 1 1 111 111 SER HA H 111 4.406 4.406 4.119 0.287 17849 6158 1 9 . 1 1 111 111 SER C C 111 175.051 175.051 175.372 -0.321 17849 6159 1 9 . 1 1 111 111 SER CA C 111 59.968 59.968 60.623 -0.655 17849 6160 1 9 . 1 1 111 111 SER CB C 111 63.391 63.391 63.662 -0.271 17849 6161 1 9 . 1 1 111 111 SER H H 111 7.681 7.681 7.152 0.529 17849 6162 1 9 . 1 1 112 112 ILE N N 112 119.783 119.783 115.855 3.928 17849 6163 1 9 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.806 0.285 17849 6164 1 9 . 1 1 112 112 ILE C C 112 177.040 177.040 175.790 1.250 17849 6165 1 9 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.755 0.769 17849 6166 1 9 . 1 1 112 112 ILE CB C 112 38.344 38.344 34.682 3.662 17849 6167 1 9 . 1 1 112 112 ILE H H 112 7.444 7.444 7.498 -0.054 17849 6168 1 9 . 1 1 113 113 GLY N N 113 110.432 110.432 109.454 0.978 17849 6169 1 9 . 1 1 113 113 GLY C C 113 174.442 174.442 173.986 0.456 17849 6170 1 9 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.174 0.469 17849 6171 1 9 . 1 1 113 113 GLY H H 113 8.148 8.148 7.761 0.387 17849 6172 1 9 . 1 1 114 114 GLU N N 114 120.374 120.374 122.293 -1.919 17849 6173 1 9 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.391 -0.125 17849 6174 1 9 . 1 1 114 114 GLU C C 114 176.556 176.556 176.570 -0.014 17849 6175 1 9 . 1 1 114 114 GLU CA C 114 56.773 56.773 55.316 1.458 17849 6176 1 9 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.947 -0.657 17849 6177 1 9 . 1 1 114 114 GLU H H 114 8.092 8.092 8.228 -0.136 17849 6178 1 9 . 1 1 115 115 LYS N N 115 121.383 121.383 118.919 2.464 17849 6179 1 9 . 1 1 115 115 LYS HA H 115 4.335 4.335 3.955 0.380 17849 6180 1 9 . 1 1 115 115 LYS C C 115 176.654 176.654 174.313 2.341 17849 6181 1 9 . 1 1 115 115 LYS CA C 115 56.299 56.299 57.032 -0.733 17849 6182 1 9 . 1 1 115 115 LYS CB C 115 32.839 32.839 30.096 2.743 17849 6183 1 9 . 1 1 115 115 LYS H H 115 8.221 8.221 8.565 -0.344 17849 6184 1 9 . 1 1 116 116 LEU N N 116 123.146 123.146 114.965 8.181 17849 6185 1 9 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.714 -0.293 17849 6186 1 9 . 1 1 116 116 LEU C C 116 177.677 177.677 174.874 2.803 17849 6187 1 9 . 1 1 116 116 LEU CA C 116 55.320 55.320 53.626 1.694 17849 6188 1 9 . 1 1 116 116 LEU CB C 116 42.309 42.309 44.520 -2.211 17849 6189 1 9 . 1 1 116 116 LEU H H 116 8.265 8.265 7.513 0.752 17849 6190 1 9 . 1 1 117 117 THR N N 117 113.859 113.859 112.231 1.628 17849 6191 1 9 . 1 1 117 117 THR HA H 117 4.337 4.337 4.726 -0.389 17849 6192 1 9 . 1 1 117 117 THR C C 117 174.535 174.535 174.864 -0.329 17849 6193 1 9 . 1 1 117 117 THR CA C 117 61.824 61.824 60.666 1.158 17849 6194 1 9 . 1 1 117 117 THR CB C 117 70.096 70.096 71.578 -1.482 17849 6195 1 9 . 1 1 117 117 THR H H 117 8.182 8.182 9.151 -0.969 17849 6196 1 9 . 1 1 118 118 ASP N N 118 122.049 122.049 118.670 3.379 17849 6197 1 9 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.741 -0.208 17849 6198 1 9 . 1 1 118 118 ASP C C 118 176.728 176.728 177.086 -0.358 17849 6199 1 9 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.785 -0.568 17849 6200 1 9 . 1 1 118 118 ASP CB C 118 40.852 40.852 39.844 1.008 17849 6201 1 9 . 1 1 118 118 ASP H H 118 8.367 8.367 8.672 -0.305 17849 6202 1 9 . 1 1 119 119 ALA N N 119 123.432 123.432 121.091 2.341 17849 6203 1 9 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.184 0.035 17849 6204 1 9 . 1 1 119 119 ALA C C 119 178.486 178.486 178.244 0.242 17849 6205 1 9 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.218 0.215 17849 6206 1 9 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.453 0.622 17849 6207 1 9 . 1 1 119 119 ALA H H 119 8.206 8.206 7.491 0.715 17849 6208 1 9 . 1 1 120 120 GLU N N 120 118.592 118.592 118.044 0.548 17849 6209 1 9 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.142 0.040 17849 6210 1 9 . 1 1 120 120 GLU C C 120 177.133 177.133 177.925 -0.792 17849 6211 1 9 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.763 -1.658 17849 6212 1 9 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.743 0.309 17849 6213 1 9 . 1 1 120 120 GLU H H 120 8.187 8.187 7.720 0.467 17849 6214 1 9 . 1 1 121 121 LEU N N 121 121.427 121.427 114.097 7.330 17849 6215 1 9 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.709 -0.505 17849 6216 1 9 . 1 1 121 121 LEU C C 121 177.710 177.710 176.995 0.715 17849 6217 1 9 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.414 0.338 17849 6218 1 9 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.366 -1.108 17849 6219 1 9 . 1 1 121 121 LEU H H 121 8.020 8.020 7.383 0.637 17849 6220 1 9 . 1 1 122 122 GLU N N 122 119.850 119.850 120.653 -0.803 17849 6221 1 9 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.111 0.016 17849 6222 1 9 . 1 1 122 122 GLU C C 122 176.518 176.518 176.788 -0.270 17849 6223 1 9 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.204 -0.190 17849 6224 1 9 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.602 0.455 17849 6225 1 9 . 1 1 122 122 GLU H H 122 8.118 8.118 7.755 0.363 17849 6226 1 9 . 1 1 123 123 HIS N N 123 118.817 118.817 125.060 -6.243 17849 6227 1 9 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.540 0.719 17849 6228 1 9 . 1 1 123 123 HIS H H 123 8.106 8.106 8.339 -0.233 17849 6229 1 10 . 1 1 2 2 SER HA H 2 4.507 4.507 4.749 -0.242 17849 6230 1 10 . 1 1 2 2 SER CA C 2 58.342 58.342 57.521 0.821 17849 6231 1 10 . 1 1 2 2 SER CB C 2 63.883 63.883 63.395 0.488 17849 6232 1 10 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.517 0.247 17849 6233 1 10 . 1 1 3 3 ASN C C 3 174.784 174.784 175.067 -0.283 17849 6234 1 10 . 1 1 3 3 ASN CA C 3 53.125 53.125 53.479 -0.354 17849 6235 1 10 . 1 1 3 3 ASN CB C 3 38.893 38.893 38.948 -0.055 17849 6236 1 10 . 1 1 4 4 LEU N N 4 121.466 121.466 121.012 0.454 17849 6237 1 10 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.622 0.078 17849 6238 1 10 . 1 1 4 4 LEU C C 4 177.665 177.665 176.847 0.818 17849 6239 1 10 . 1 1 4 4 LEU CA C 4 54.512 54.512 54.822 -0.309 17849 6240 1 10 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.039 1.600 17849 6241 1 10 . 1 1 4 4 LEU H H 4 8.097 8.097 8.362 -0.265 17849 6242 1 10 . 1 1 5 5 THR N N 5 112.990 112.990 114.885 -1.895 17849 6243 1 10 . 1 1 5 5 THR HA H 5 4.481 4.481 4.724 -0.243 17849 6244 1 10 . 1 1 5 5 THR C C 5 175.474 175.474 174.885 0.589 17849 6245 1 10 . 1 1 5 5 THR CA C 5 60.528 60.528 59.766 0.762 17849 6246 1 10 . 1 1 5 5 THR CB C 5 71.244 71.244 71.312 -0.068 17849 6247 1 10 . 1 1 5 5 THR H H 5 8.778 8.778 8.134 0.644 17849 6248 1 10 . 1 1 6 6 GLU N N 6 120.343 120.343 119.721 0.622 17849 6249 1 10 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.971 0.031 17849 6250 1 10 . 1 1 6 6 GLU C C 6 179.568 179.568 178.653 0.915 17849 6251 1 10 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.993 0.182 17849 6252 1 10 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.213 0.012 17849 6253 1 10 . 1 1 6 6 GLU H H 6 9.078 9.078 8.958 0.120 17849 6254 1 10 . 1 1 7 7 GLU N N 7 119.544 119.544 120.026 -0.482 17849 6255 1 10 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.948 0.163 17849 6256 1 10 . 1 1 7 7 GLU C C 7 179.170 179.170 179.165 0.005 17849 6257 1 10 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.057 0.980 17849 6258 1 10 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.186 -0.068 17849 6259 1 10 . 1 1 7 7 GLU H H 7 8.820 8.820 7.870 0.950 17849 6260 1 10 . 1 1 8 8 GLN N N 8 119.824 119.824 118.084 1.740 17849 6261 1 10 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.702 0.462 17849 6262 1 10 . 1 1 8 8 GLN C C 8 179.652 179.652 178.399 1.253 17849 6263 1 10 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.273 0.479 17849 6264 1 10 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.409 1.330 17849 6265 1 10 . 1 1 8 8 GLN H H 8 7.812 7.812 7.349 0.463 17849 6266 1 10 . 1 1 9 9 ILE N N 9 120.978 120.978 120.458 0.520 17849 6267 1 10 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.737 0.115 17849 6268 1 10 . 1 1 9 9 ILE C C 9 177.899 177.899 178.186 -0.287 17849 6269 1 10 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.721 0.855 17849 6270 1 10 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.489 0.500 17849 6271 1 10 . 1 1 9 9 ILE H H 9 8.634 8.634 8.489 0.145 17849 6272 1 10 . 1 1 10 10 ALA N N 10 121.528 121.528 120.825 0.703 17849 6273 1 10 . 1 1 10 10 ALA HA H 10 4.106 4.106 3.995 0.111 17849 6274 1 10 . 1 1 10 10 ALA C C 10 180.886 180.886 179.608 1.278 17849 6275 1 10 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.408 0.010 17849 6276 1 10 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.830 -0.055 17849 6277 1 10 . 1 1 10 10 ALA H H 10 8.142 8.142 7.964 0.178 17849 6278 1 10 . 1 1 11 11 GLU N N 11 118.807 118.807 119.405 -0.598 17849 6279 1 10 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.002 0.212 17849 6280 1 10 . 1 1 11 11 GLU C C 11 180.292 180.292 179.323 0.969 17849 6281 1 10 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.058 0.306 17849 6282 1 10 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.391 0.397 17849 6283 1 10 . 1 1 11 11 GLU H H 11 7.810 7.810 7.723 0.087 17849 6284 1 10 . 1 1 12 12 PHE N N 12 118.671 118.671 119.284 -0.613 17849 6285 1 10 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.406 0.241 17849 6286 1 10 . 1 1 12 12 PHE C C 12 179.032 179.032 178.105 0.927 17849 6287 1 10 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.697 3.463 17849 6288 1 10 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.922 1.093 17849 6289 1 10 . 1 1 12 12 PHE H H 12 8.432 8.432 8.300 0.132 17849 6290 1 10 . 1 1 13 13 LYS N N 13 123.536 123.536 117.698 5.838 17849 6291 1 10 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.896 -0.056 17849 6292 1 10 . 1 1 13 13 LYS C C 13 179.114 179.114 178.987 0.127 17849 6293 1 10 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.727 0.361 17849 6294 1 10 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.034 -0.382 17849 6295 1 10 . 1 1 13 13 LYS H H 13 8.981 8.981 8.787 0.194 17849 6296 1 10 . 1 1 14 14 GLU N N 14 119.691 119.691 119.335 0.356 17849 6297 1 10 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.345 -0.248 17849 6298 1 10 . 1 1 14 14 GLU C C 14 179.285 179.285 178.566 0.719 17849 6299 1 10 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.446 0.799 17849 6300 1 10 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.864 -0.223 17849 6301 1 10 . 1 1 14 14 GLU H H 14 7.737 7.737 8.236 -0.499 17849 6302 1 10 . 1 1 15 15 ALA N N 15 120.127 120.127 123.238 -3.111 17849 6303 1 10 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.246 -0.079 17849 6304 1 10 . 1 1 15 15 ALA C C 15 178.607 178.607 180.113 -1.506 17849 6305 1 10 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.091 -0.032 17849 6306 1 10 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.555 0.576 17849 6307 1 10 . 1 1 15 15 ALA H H 15 7.747 7.747 8.173 -0.426 17849 6308 1 10 . 1 1 16 16 PHE N N 16 119.058 119.058 118.509 0.549 17849 6309 1 10 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.868 -0.561 17849 6310 1 10 . 1 1 16 16 PHE C C 16 177.236 177.236 176.630 0.606 17849 6311 1 10 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.253 0.452 17849 6312 1 10 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.979 0.773 17849 6313 1 10 . 1 1 16 16 PHE H H 16 8.908 8.908 8.858 0.050 17849 6314 1 10 . 1 1 17 17 ALA N N 17 119.352 119.352 122.877 -3.525 17849 6315 1 10 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.057 0.066 17849 6316 1 10 . 1 1 17 17 ALA C C 17 178.680 178.680 178.685 -0.005 17849 6317 1 10 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.763 -0.223 17849 6318 1 10 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.162 0.053 17849 6319 1 10 . 1 1 17 17 ALA H H 17 7.877 7.877 8.026 -0.149 17849 6320 1 10 . 1 1 18 18 LEU N N 18 115.281 115.281 117.198 -1.917 17849 6321 1 10 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.993 0.062 17849 6322 1 10 . 1 1 18 18 LEU C C 18 178.393 178.393 178.581 -0.188 17849 6323 1 10 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.444 -0.802 17849 6324 1 10 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.124 0.619 17849 6325 1 10 . 1 1 18 18 LEU H H 18 7.369 7.369 8.093 -0.724 17849 6326 1 10 . 1 1 19 19 PHE N N 19 115.719 115.719 114.964 0.755 17849 6327 1 10 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.344 -0.135 17849 6328 1 10 . 1 1 19 19 PHE C C 19 176.704 176.704 176.387 0.317 17849 6329 1 10 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.834 -0.601 17849 6330 1 10 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.862 1.808 17849 6331 1 10 . 1 1 19 19 PHE H H 19 7.468 7.468 7.878 -0.410 17849 6332 1 10 . 1 1 20 20 ASP N N 20 117.209 117.209 118.585 -1.376 17849 6333 1 10 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.390 0.071 17849 6334 1 10 . 1 1 20 20 ASP C C 20 176.557 176.557 176.270 0.287 17849 6335 1 10 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.435 -3.190 17849 6336 1 10 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.775 -2.628 17849 6337 1 10 . 1 1 20 20 ASP H H 20 7.488 7.488 7.949 -0.461 17849 6338 1 10 . 1 1 21 21 LYS N N 21 124.086 124.086 125.701 -1.615 17849 6339 1 10 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.188 -0.190 17849 6340 1 10 . 1 1 21 21 LYS C C 21 177.844 177.844 177.597 0.247 17849 6341 1 10 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.931 0.377 17849 6342 1 10 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.862 -0.410 17849 6343 1 10 . 1 1 21 21 LYS H H 21 7.376 7.376 8.578 -1.202 17849 6344 1 10 . 1 1 22 22 ASP N N 22 114.097 114.097 115.517 -1.420 17849 6345 1 10 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.556 0.048 17849 6346 1 10 . 1 1 22 22 ASP C C 22 176.349 176.349 176.317 0.032 17849 6347 1 10 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.408 -0.705 17849 6348 1 10 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.645 -1.290 17849 6349 1 10 . 1 1 22 22 ASP H H 22 8.113 8.113 8.275 -0.162 17849 6350 1 10 . 1 1 23 23 ASN N N 23 115.562 115.562 118.287 -2.725 17849 6351 1 10 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.559 -0.164 17849 6352 1 10 . 1 1 23 23 ASN C C 23 174.864 174.864 175.001 -0.137 17849 6353 1 10 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.484 0.916 17849 6354 1 10 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.623 0.301 17849 6355 1 10 . 1 1 23 23 ASN H H 23 8.048 8.048 8.395 -0.347 17849 6356 1 10 . 1 1 24 24 ASN N N 24 117.615 117.615 116.589 1.026 17849 6357 1 10 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.716 0.119 17849 6358 1 10 . 1 1 24 24 ASN C C 24 177.445 177.445 176.232 1.213 17849 6359 1 10 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.274 -0.859 17849 6360 1 10 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.332 -0.851 17849 6361 1 10 . 1 1 24 24 ASN H H 24 8.517 8.517 8.738 -0.221 17849 6362 1 10 . 1 1 25 25 GLY N N 25 114.308 114.308 108.046 6.262 17849 6363 1 10 . 1 1 25 25 GLY C C 25 173.105 173.105 173.350 -0.245 17849 6364 1 10 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.199 0.281 17849 6365 1 10 . 1 1 25 25 GLY H H 25 10.729 10.729 8.349 2.380 17849 6366 1 10 . 1 1 26 26 SER N N 26 113.267 113.267 116.373 -3.106 17849 6367 1 10 . 1 1 26 26 SER HA H 26 5.330 5.330 5.557 -0.227 17849 6368 1 10 . 1 1 26 26 SER C C 26 172.610 172.610 174.113 -1.503 17849 6369 1 10 . 1 1 26 26 SER CA C 26 57.375 57.375 56.807 0.568 17849 6370 1 10 . 1 1 26 26 SER CB C 26 66.504 66.504 65.474 1.030 17849 6371 1 10 . 1 1 26 26 SER H H 26 7.773 7.773 7.740 0.033 17849 6372 1 10 . 1 1 27 27 ILE N N 27 127.124 127.124 125.831 1.293 17849 6373 1 10 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.337 0.551 17849 6374 1 10 . 1 1 27 27 ILE C C 27 175.876 175.876 176.148 -0.272 17849 6375 1 10 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.843 -0.807 17849 6376 1 10 . 1 1 27 27 ILE CB C 27 38.896 38.896 39.172 -0.276 17849 6377 1 10 . 1 1 27 27 ILE H H 27 9.848 9.848 8.152 1.696 17849 6378 1 10 . 1 1 28 28 SER N N 28 124.825 124.825 121.722 3.103 17849 6379 1 10 . 1 1 28 28 SER HA H 28 4.771 4.771 5.370 -0.599 17849 6380 1 10 . 1 1 28 28 SER C C 28 175.395 175.395 176.059 -0.664 17849 6381 1 10 . 1 1 28 28 SER CA C 28 56.680 56.680 56.766 -0.086 17849 6382 1 10 . 1 1 28 28 SER CB C 28 66.154 66.154 65.352 0.802 17849 6383 1 10 . 1 1 28 28 SER H H 28 9.347 9.347 8.401 0.946 17849 6384 1 10 . 1 1 29 29 SER N N 29 116.882 116.882 115.250 1.632 17849 6385 1 10 . 1 1 29 29 SER HA H 29 4.144 4.144 4.510 -0.366 17849 6386 1 10 . 1 1 29 29 SER C C 29 176.516 176.516 176.199 0.317 17849 6387 1 10 . 1 1 29 29 SER CA C 29 62.634 62.634 61.195 1.439 17849 6388 1 10 . 1 1 29 29 SER CB C 29 62.227 62.227 62.836 -0.609 17849 6389 1 10 . 1 1 29 29 SER H H 29 9.604 9.604 9.060 0.544 17849 6390 1 10 . 1 1 30 30 SER N N 30 116.141 116.141 117.766 -1.625 17849 6391 1 10 . 1 1 30 30 SER HA H 30 4.327 4.327 4.391 -0.064 17849 6392 1 10 . 1 1 30 30 SER C C 30 177.965 177.965 176.438 1.527 17849 6393 1 10 . 1 1 30 30 SER CA C 30 61.341 61.341 60.792 0.549 17849 6394 1 10 . 1 1 30 30 SER CB C 30 62.429 62.429 63.342 -0.913 17849 6395 1 10 . 1 1 30 30 SER H H 30 8.184 8.184 7.580 0.604 17849 6396 1 10 . 1 1 31 31 GLU N N 31 124.933 124.933 122.435 2.498 17849 6397 1 10 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.055 0.036 17849 6398 1 10 . 1 1 31 31 GLU C C 31 179.355 179.355 178.708 0.647 17849 6399 1 10 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.925 0.517 17849 6400 1 10 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.631 -0.296 17849 6401 1 10 . 1 1 31 31 GLU H H 31 7.973 7.973 8.427 -0.454 17849 6402 1 10 . 1 1 32 32 LEU N N 32 120.778 120.778 119.905 0.873 17849 6403 1 10 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.158 0.009 17849 6404 1 10 . 1 1 32 32 LEU C C 32 178.364 178.364 177.986 0.378 17849 6405 1 10 . 1 1 32 32 LEU CA C 32 58.347 58.347 58.149 0.198 17849 6406 1 10 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.164 -0.053 17849 6407 1 10 . 1 1 32 32 LEU H H 32 8.616 8.616 7.653 0.963 17849 6408 1 10 . 1 1 33 33 ALA N N 33 120.423 120.423 120.246 0.177 17849 6409 1 10 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.041 -0.165 17849 6410 1 10 . 1 1 33 33 ALA C C 33 179.394 179.394 179.388 0.006 17849 6411 1 10 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.057 0.731 17849 6412 1 10 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.002 0.516 17849 6413 1 10 . 1 1 33 33 ALA H H 33 8.688 8.688 7.499 1.189 17849 6414 1 10 . 1 1 34 34 THR N N 34 114.299 114.299 114.199 0.100 17849 6415 1 10 . 1 1 34 34 THR HA H 34 3.902 3.902 4.015 -0.113 17849 6416 1 10 . 1 1 34 34 THR C C 34 177.161 177.161 175.841 1.320 17849 6417 1 10 . 1 1 34 34 THR CA C 34 67.173 67.173 66.373 0.800 17849 6418 1 10 . 1 1 34 34 THR CB C 34 68.712 68.712 68.704 0.007 17849 6419 1 10 . 1 1 34 34 THR H H 34 8.219 8.219 7.663 0.556 17849 6420 1 10 . 1 1 35 35 VAL N N 35 122.638 122.638 120.119 2.519 17849 6421 1 10 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.606 -0.022 17849 6422 1 10 . 1 1 35 35 VAL C C 35 178.403 178.403 177.155 1.248 17849 6423 1 10 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.508 1.376 17849 6424 1 10 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.512 -0.151 17849 6425 1 10 . 1 1 35 35 VAL H H 35 7.791 7.791 7.491 0.300 17849 6426 1 10 . 1 1 36 36 MET N N 36 117.307 117.307 118.948 -1.641 17849 6427 1 10 . 1 1 36 36 MET HA H 36 3.906 3.906 4.015 -0.109 17849 6428 1 10 . 1 1 36 36 MET C C 36 178.456 178.456 178.319 0.137 17849 6429 1 10 . 1 1 36 36 MET CA C 36 59.787 59.787 58.548 1.239 17849 6430 1 10 . 1 1 36 36 MET CB C 36 32.548 32.548 31.809 0.739 17849 6431 1 10 . 1 1 36 36 MET H H 36 8.308 8.308 7.429 0.879 17849 6432 1 10 . 1 1 37 37 ARG N N 37 118.384 118.384 116.964 1.420 17849 6433 1 10 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.175 0.582 17849 6434 1 10 . 1 1 37 37 ARG C C 37 181.371 181.371 178.927 2.444 17849 6435 1 10 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.702 0.185 17849 6436 1 10 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.198 0.900 17849 6437 1 10 . 1 1 37 37 ARG H H 37 8.634 8.634 8.008 0.626 17849 6438 1 10 . 1 1 38 38 SER N N 38 118.916 118.916 114.176 4.740 17849 6439 1 10 . 1 1 38 38 SER HA H 38 4.339 4.339 4.224 0.115 17849 6440 1 10 . 1 1 38 38 SER C C 38 174.705 174.705 176.171 -1.466 17849 6441 1 10 . 1 1 38 38 SER CA C 38 61.793 61.793 60.613 1.180 17849 6442 1 10 . 1 1 38 38 SER CB C 38 62.713 62.713 63.035 -0.322 17849 6443 1 10 . 1 1 38 38 SER H H 38 8.226 8.226 7.787 0.439 17849 6444 1 10 . 1 1 39 39 LEU N N 39 119.948 119.948 119.763 0.185 17849 6445 1 10 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.021 0.275 17849 6446 1 10 . 1 1 39 39 LEU C C 39 176.723 176.723 178.103 -1.380 17849 6447 1 10 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.317 -2.757 17849 6448 1 10 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.481 -0.492 17849 6449 1 10 . 1 1 39 39 LEU H H 39 7.331 7.331 7.916 -0.585 17849 6450 1 10 . 1 1 40 40 GLY N N 40 105.997 105.997 103.512 2.485 17849 6451 1 10 . 1 1 40 40 GLY C C 40 174.405 174.405 173.468 0.937 17849 6452 1 10 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.972 0.216 17849 6453 1 10 . 1 1 40 40 GLY H H 40 7.889 7.889 7.740 0.149 17849 6454 1 10 . 1 1 41 41 LEU N N 41 120.071 120.071 118.844 1.227 17849 6455 1 10 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.738 -0.252 17849 6456 1 10 . 1 1 41 41 LEU C C 41 175.829 175.829 175.349 0.480 17849 6457 1 10 . 1 1 41 41 LEU CA C 41 54.187 54.187 54.058 0.129 17849 6458 1 10 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.567 -0.994 17849 6459 1 10 . 1 1 41 41 LEU H H 41 7.592 7.592 7.428 0.164 17849 6460 1 10 . 1 1 42 42 SER N N 42 112.869 112.869 113.050 -0.181 17849 6461 1 10 . 1 1 42 42 SER HA H 42 4.797 4.797 4.827 -0.030 17849 6462 1 10 . 1 1 42 42 SER CA C 42 54.960 54.960 55.164 -0.204 17849 6463 1 10 . 1 1 42 42 SER CB C 42 63.177 63.177 63.297 -0.120 17849 6464 1 10 . 1 1 42 42 SER H H 42 8.761 8.761 8.380 0.381 17849 6465 1 10 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.570 0.138 17849 6466 1 10 . 1 1 43 43 PRO C C 43 177.533 177.533 176.083 1.450 17849 6467 1 10 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.597 -0.422 17849 6468 1 10 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.382 -0.508 17849 6469 1 10 . 1 1 44 44 SER N N 44 119.089 119.089 116.256 2.833 17849 6470 1 10 . 1 1 44 44 SER HA H 44 4.574 4.574 4.534 0.040 17849 6471 1 10 . 1 1 44 44 SER C C 44 174.803 174.803 176.041 -1.238 17849 6472 1 10 . 1 1 44 44 SER CA C 44 56.786 56.786 56.819 -0.033 17849 6473 1 10 . 1 1 44 44 SER CB C 44 65.387 65.387 65.085 0.302 17849 6474 1 10 . 1 1 44 44 SER H H 44 9.014 9.014 8.157 0.857 17849 6475 1 10 . 1 1 45 45 GLU N N 45 121.343 121.343 122.504 -1.161 17849 6476 1 10 . 1 1 45 45 GLU HA H 45 3.944 3.944 4.085 -0.141 17849 6477 1 10 . 1 1 45 45 GLU C C 45 178.978 178.978 177.390 1.588 17849 6478 1 10 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.116 0.990 17849 6479 1 10 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.272 0.031 17849 6480 1 10 . 1 1 45 45 GLU H H 45 8.925 8.925 8.946 -0.021 17849 6481 1 10 . 1 1 46 46 ALA N N 46 120.822 120.822 121.508 -0.686 17849 6482 1 10 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.276 -0.130 17849 6483 1 10 . 1 1 46 46 ALA C C 46 179.782 179.782 179.021 0.761 17849 6484 1 10 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.194 0.892 17849 6485 1 10 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.634 -0.377 17849 6486 1 10 . 1 1 46 46 ALA H H 46 8.339 8.339 7.502 0.837 17849 6487 1 10 . 1 1 47 47 GLU N N 47 118.432 118.432 117.532 0.900 17849 6488 1 10 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.397 -0.323 17849 6489 1 10 . 1 1 47 47 GLU C C 47 180.222 180.222 178.522 1.700 17849 6490 1 10 . 1 1 47 47 GLU CA C 47 59.209 59.209 57.754 1.455 17849 6491 1 10 . 1 1 47 47 GLU CB C 47 29.885 29.885 30.422 -0.537 17849 6492 1 10 . 1 1 47 47 GLU H H 47 7.759 7.759 7.991 -0.232 17849 6493 1 10 . 1 1 48 48 VAL N N 48 120.023 120.023 120.859 -0.836 17849 6494 1 10 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.798 -0.300 17849 6495 1 10 . 1 1 48 48 VAL C C 48 177.380 177.380 177.619 -0.239 17849 6496 1 10 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.254 1.004 17849 6497 1 10 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.541 -0.180 17849 6498 1 10 . 1 1 48 48 VAL H H 48 8.174 8.174 8.601 -0.427 17849 6499 1 10 . 1 1 49 49 ASN N N 49 118.475 118.475 118.090 0.385 17849 6500 1 10 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.397 0.008 17849 6501 1 10 . 1 1 49 49 ASN C C 49 177.352 177.352 176.952 0.400 17849 6502 1 10 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.632 0.078 17849 6503 1 10 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.918 0.352 17849 6504 1 10 . 1 1 49 49 ASN H H 49 8.208 8.208 7.906 0.302 17849 6505 1 10 . 1 1 50 50 ASP N N 50 120.147 120.147 120.070 0.077 17849 6506 1 10 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.470 0.012 17849 6507 1 10 . 1 1 50 50 ASP C C 50 178.973 178.973 178.288 0.685 17849 6508 1 10 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.897 0.543 17849 6509 1 10 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.812 -0.631 17849 6510 1 10 . 1 1 50 50 ASP H H 50 8.400 8.400 8.052 0.348 17849 6511 1 10 . 1 1 51 51 LEU N N 51 121.706 121.706 119.597 2.109 17849 6512 1 10 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.262 -0.154 17849 6513 1 10 . 1 1 51 51 LEU C C 51 178.796 178.796 179.226 -0.430 17849 6514 1 10 . 1 1 51 51 LEU CA C 51 58.132 58.132 56.904 1.228 17849 6515 1 10 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.188 -0.298 17849 6516 1 10 . 1 1 51 51 LEU H H 51 7.830 7.830 7.991 -0.161 17849 6517 1 10 . 1 1 52 52 MET N N 52 117.267 117.267 117.460 -0.193 17849 6518 1 10 . 1 1 52 52 MET HA H 52 4.145 4.145 4.322 -0.177 17849 6519 1 10 . 1 1 52 52 MET C C 52 178.260 178.260 178.619 -0.359 17849 6520 1 10 . 1 1 52 52 MET CA C 52 57.418 57.418 57.045 0.373 17849 6521 1 10 . 1 1 52 52 MET CB C 52 30.089 30.089 31.307 -1.218 17849 6522 1 10 . 1 1 52 52 MET H H 52 8.601 8.601 8.703 -0.102 17849 6523 1 10 . 1 1 53 53 ASN N N 53 115.368 115.368 118.644 -3.276 17849 6524 1 10 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.481 0.092 17849 6525 1 10 . 1 1 53 53 ASN C C 53 176.890 176.890 176.326 0.564 17849 6526 1 10 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.416 -1.084 17849 6527 1 10 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.628 -0.474 17849 6528 1 10 . 1 1 53 53 ASN H H 53 8.239 8.239 8.107 0.132 17849 6529 1 10 . 1 1 54 54 GLU N N 54 117.437 117.437 117.433 0.004 17849 6530 1 10 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.112 0.138 17849 6531 1 10 . 1 1 54 54 GLU C C 54 177.019 177.019 178.144 -1.125 17849 6532 1 10 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.334 -0.647 17849 6533 1 10 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.822 0.271 17849 6534 1 10 . 1 1 54 54 GLU H H 54 7.625 7.625 7.649 -0.024 17849 6535 1 10 . 1 1 55 55 ILE N N 55 117.098 117.098 116.723 0.375 17849 6536 1 10 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.794 0.107 17849 6537 1 10 . 1 1 55 55 ILE C C 55 176.027 176.027 176.113 -0.086 17849 6538 1 10 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.636 -1.000 17849 6539 1 10 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.193 1.843 17849 6540 1 10 . 1 1 55 55 ILE H H 55 7.496 7.496 7.281 0.215 17849 6541 1 10 . 1 1 56 56 ASP N N 56 118.367 118.367 119.473 -1.106 17849 6542 1 10 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.582 -0.165 17849 6543 1 10 . 1 1 56 56 ASP C C 56 175.761 175.761 176.382 -0.621 17849 6544 1 10 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.810 -0.403 17849 6545 1 10 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.266 -0.033 17849 6546 1 10 . 1 1 56 56 ASP H H 56 8.329 8.329 7.765 0.564 17849 6547 1 10 . 1 1 57 57 VAL N N 57 126.262 126.262 123.168 3.094 17849 6548 1 10 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.981 0.025 17849 6549 1 10 . 1 1 57 57 VAL C C 57 177.253 177.253 176.732 0.521 17849 6550 1 10 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.889 0.336 17849 6551 1 10 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.428 0.758 17849 6552 1 10 . 1 1 57 57 VAL H H 57 8.116 8.116 8.392 -0.276 17849 6553 1 10 . 1 1 58 58 ASP N N 58 116.896 116.896 118.522 -1.626 17849 6554 1 10 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.617 -0.045 17849 6555 1 10 . 1 1 58 58 ASP C C 58 177.670 177.670 176.674 0.996 17849 6556 1 10 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.968 -0.163 17849 6557 1 10 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.439 -1.446 17849 6558 1 10 . 1 1 58 58 ASP H H 58 8.356 8.356 8.153 0.203 17849 6559 1 10 . 1 1 59 59 GLY N N 59 107.989 107.989 108.742 -0.753 17849 6560 1 10 . 1 1 59 59 GLY C C 59 174.661 174.661 174.652 0.009 17849 6561 1 10 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.312 1.767 17849 6562 1 10 . 1 1 59 59 GLY H H 59 7.622 7.622 8.183 -0.561 17849 6563 1 10 . 1 1 60 60 ASN N N 60 118.703 118.703 118.913 -0.210 17849 6564 1 10 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.468 0.074 17849 6565 1 10 . 1 1 60 60 ASN C C 60 175.787 175.787 174.484 1.303 17849 6566 1 10 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.197 0.086 17849 6567 1 10 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.064 -1.880 17849 6568 1 10 . 1 1 60 60 ASN H H 60 8.096 8.096 8.450 -0.354 17849 6569 1 10 . 1 1 61 61 HIS N N 61 117.475 117.475 113.663 3.812 17849 6570 1 10 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.268 -0.400 17849 6571 1 10 . 1 1 61 61 HIS C C 61 172.407 172.407 173.269 -0.862 17849 6572 1 10 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.373 -0.945 17849 6573 1 10 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.259 0.714 17849 6574 1 10 . 1 1 61 61 HIS H H 61 9.998 9.998 8.259 1.739 17849 6575 1 10 . 1 1 62 62 GLN N N 62 112.629 112.629 116.166 -3.537 17849 6576 1 10 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.356 -0.547 17849 6577 1 10 . 1 1 62 62 GLN C C 62 174.654 174.654 174.703 -0.049 17849 6578 1 10 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.523 -0.715 17849 6579 1 10 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.885 -0.760 17849 6580 1 10 . 1 1 62 62 GLN H H 62 7.541 7.541 8.988 -1.447 17849 6581 1 10 . 1 1 63 63 ILE N N 63 123.800 123.800 125.470 -1.670 17849 6582 1 10 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.604 0.442 17849 6583 1 10 . 1 1 63 63 ILE C C 63 176.626 176.626 176.283 0.343 17849 6584 1 10 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.525 1.368 17849 6585 1 10 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.221 1.959 17849 6586 1 10 . 1 1 63 63 ILE H H 63 9.312 9.312 8.678 0.634 17849 6587 1 10 . 1 1 64 64 GLU N N 64 128.941 128.941 128.011 0.930 17849 6588 1 10 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.653 0.323 17849 6589 1 10 . 1 1 64 64 GLU C C 64 178.001 178.001 177.505 0.496 17849 6590 1 10 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.029 2.691 17849 6591 1 10 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.594 -1.366 17849 6592 1 10 . 1 1 64 64 GLU H H 64 8.846 8.846 8.585 0.261 17849 6593 1 10 . 1 1 65 65 PHE N N 65 124.119 124.119 123.975 0.144 17849 6594 1 10 . 1 1 65 65 PHE HA H 65 3.526 3.526 3.902 -0.376 17849 6595 1 10 . 1 1 65 65 PHE C C 65 176.981 176.981 176.397 0.584 17849 6596 1 10 . 1 1 65 65 PHE CA C 65 62.264 62.264 60.267 1.997 17849 6597 1 10 . 1 1 65 65 PHE CB C 65 37.824 37.824 38.979 -1.155 17849 6598 1 10 . 1 1 65 65 PHE H H 65 9.488 9.488 9.076 0.412 17849 6599 1 10 . 1 1 66 66 SER N N 66 112.445 112.445 115.222 -2.777 17849 6600 1 10 . 1 1 66 66 SER HA H 66 3.667 3.667 4.137 -0.470 17849 6601 1 10 . 1 1 66 66 SER C C 66 177.385 177.385 176.033 1.352 17849 6602 1 10 . 1 1 66 66 SER CA C 66 61.503 61.503 61.879 -0.376 17849 6603 1 10 . 1 1 66 66 SER CB C 66 61.285 61.285 62.743 -1.458 17849 6604 1 10 . 1 1 66 66 SER H H 66 8.972 8.972 8.272 0.700 17849 6605 1 10 . 1 1 67 67 GLU N N 67 122.775 122.775 123.125 -0.350 17849 6606 1 10 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.996 0.124 17849 6607 1 10 . 1 1 67 67 GLU C C 67 178.567 178.567 178.872 -0.305 17849 6608 1 10 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.514 -1.671 17849 6609 1 10 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.458 -0.209 17849 6610 1 10 . 1 1 67 67 GLU H H 67 6.799 6.799 8.288 -1.489 17849 6611 1 10 . 1 1 68 68 PHE N N 68 123.231 123.231 119.452 3.779 17849 6612 1 10 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.156 -0.325 17849 6613 1 10 . 1 1 68 68 PHE C C 68 175.936 175.936 177.752 -1.816 17849 6614 1 10 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.620 -0.504 17849 6615 1 10 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.374 0.841 17849 6616 1 10 . 1 1 68 68 PHE H H 68 8.176 8.176 8.859 -0.683 17849 6617 1 10 . 1 1 69 69 LEU N N 69 118.554 118.554 119.259 -0.705 17849 6618 1 10 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.605 -0.439 17849 6619 1 10 . 1 1 69 69 LEU C C 69 179.074 179.074 178.636 0.438 17849 6620 1 10 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.389 -0.257 17849 6621 1 10 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.255 0.011 17849 6622 1 10 . 1 1 69 69 LEU H H 69 8.626 8.626 7.570 1.056 17849 6623 1 10 . 1 1 70 70 ALA N N 70 120.878 120.878 121.964 -1.086 17849 6624 1 10 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.964 -0.079 17849 6625 1 10 . 1 1 70 70 ALA C C 70 179.914 179.914 179.584 0.330 17849 6626 1 10 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.822 0.148 17849 6627 1 10 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.845 -0.068 17849 6628 1 10 . 1 1 70 70 ALA H H 70 7.322 7.322 8.323 -1.001 17849 6629 1 10 . 1 1 71 71 LEU N N 71 118.871 118.871 116.815 2.056 17849 6630 1 10 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.771 0.157 17849 6631 1 10 . 1 1 71 71 LEU C C 71 178.009 178.009 177.371 0.638 17849 6632 1 10 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.647 1.097 17849 6633 1 10 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.769 -0.357 17849 6634 1 10 . 1 1 71 71 LEU H H 71 7.219 7.219 7.145 0.074 17849 6635 1 10 . 1 1 72 72 MET N N 72 113.480 113.480 112.534 0.946 17849 6636 1 10 . 1 1 72 72 MET HA H 72 4.165 4.165 4.701 -0.536 17849 6637 1 10 . 1 1 72 72 MET CA C 72 55.413 55.413 55.230 0.183 17849 6638 1 10 . 1 1 72 72 MET CB C 72 31.199 31.199 32.685 -1.486 17849 6639 1 10 . 1 1 72 72 MET H H 72 7.486 7.486 7.582 -0.096 17849 6640 1 10 . 1 1 73 73 SER HA H 73 4.337 4.337 4.551 -0.214 17849 6641 1 10 . 1 1 73 73 SER C C 73 174.241 174.241 175.683 -1.442 17849 6642 1 10 . 1 1 73 73 SER CA C 73 59.132 59.132 58.886 0.246 17849 6643 1 10 . 1 1 73 73 SER CB C 73 63.649 63.649 64.231 -0.582 17849 6644 1 10 . 1 1 73 73 SER H H 73 7.699 7.699 8.068 -0.369 17849 6645 1 10 . 1 1 74 74 ARG N N 74 121.213 121.213 119.968 1.245 17849 6646 1 10 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.932 0.279 17849 6647 1 10 . 1 1 74 74 ARG C C 74 175.638 175.638 176.334 -0.696 17849 6648 1 10 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.961 -1.111 17849 6649 1 10 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.935 0.737 17849 6650 1 10 . 1 1 74 74 ARG H H 74 7.400 7.400 7.397 0.003 17849 6651 1 10 . 1 1 75 75 GLN N N 75 118.914 118.914 120.354 -1.440 17849 6652 1 10 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.367 0.948 17849 6653 1 10 . 1 1 75 75 GLN H H 75 8.090 8.090 7.987 0.103 17849 6654 1 10 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.165 0.222 17849 6655 1 10 . 1 1 77 77 LYS C C 77 176.410 176.410 176.496 -0.086 17849 6656 1 10 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.848 -0.806 17849 6657 1 10 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.635 0.522 17849 6658 1 10 . 1 1 78 78 SER N N 78 116.257 116.257 118.643 -2.386 17849 6659 1 10 . 1 1 78 78 SER HA H 78 4.422 4.422 3.821 0.601 17849 6660 1 10 . 1 1 78 78 SER C C 78 174.436 174.436 173.515 0.921 17849 6661 1 10 . 1 1 78 78 SER CA C 78 58.366 58.366 59.611 -1.245 17849 6662 1 10 . 1 1 78 78 SER CB C 78 63.855 63.855 62.564 1.291 17849 6663 1 10 . 1 1 78 78 SER H H 78 8.332 8.332 8.465 -0.133 17849 6664 1 10 . 1 1 79 79 ASN N N 79 120.267 120.267 123.980 -3.713 17849 6665 1 10 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.676 0.051 17849 6666 1 10 . 1 1 79 79 ASN C C 79 174.966 174.966 173.334 1.632 17849 6667 1 10 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.370 1.097 17849 6668 1 10 . 1 1 79 79 ASN CB C 79 38.869 38.869 40.523 -1.654 17849 6669 1 10 . 1 1 79 79 ASN H H 79 8.548 8.548 8.028 0.520 17849 6670 1 10 . 1 1 80 80 ASP N N 80 119.659 119.659 120.760 -1.101 17849 6671 1 10 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.465 0.152 17849 6672 1 10 . 1 1 80 80 ASP C C 80 176.412 176.412 175.155 1.257 17849 6673 1 10 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.150 -0.440 17849 6674 1 10 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.761 1.462 17849 6675 1 10 . 1 1 80 80 ASP H H 80 8.325 8.325 8.552 -0.227 17849 6676 1 10 . 1 1 81 81 SER N N 81 115.425 115.425 118.959 -3.534 17849 6677 1 10 . 1 1 81 81 SER HA H 81 4.414 4.414 4.474 -0.060 17849 6678 1 10 . 1 1 81 81 SER C C 81 174.733 174.733 172.691 2.042 17849 6679 1 10 . 1 1 81 81 SER CA C 81 59.183 59.183 58.065 1.118 17849 6680 1 10 . 1 1 81 81 SER CB C 81 63.784 63.784 65.767 -1.983 17849 6681 1 10 . 1 1 81 81 SER H H 81 8.256 8.256 7.805 0.451 17849 6682 1 10 . 1 1 82 82 GLU N N 82 121.456 121.456 122.309 -0.853 17849 6683 1 10 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.210 0.113 17849 6684 1 10 . 1 1 82 82 GLU C C 82 176.385 176.385 175.770 0.615 17849 6685 1 10 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.281 -0.553 17849 6686 1 10 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.979 -0.107 17849 6687 1 10 . 1 1 82 82 GLU H H 82 8.375 8.375 8.635 -0.260 17849 6688 1 10 . 1 1 83 83 GLN N N 83 120.069 120.069 125.565 -5.496 17849 6689 1 10 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.336 -0.031 17849 6690 1 10 . 1 1 83 83 GLN C C 83 176.054 176.054 176.683 -0.629 17849 6691 1 10 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.764 -0.617 17849 6692 1 10 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.312 -0.009 17849 6693 1 10 . 1 1 83 83 GLN H H 83 8.233 8.233 8.745 -0.512 17849 6694 1 10 . 1 1 84 84 GLU N N 84 122.390 122.390 120.069 2.321 17849 6695 1 10 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.393 -0.102 17849 6696 1 10 . 1 1 84 84 GLU C C 84 177.528 177.528 178.016 -0.488 17849 6697 1 10 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.613 -1.415 17849 6698 1 10 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.148 0.965 17849 6699 1 10 . 1 1 84 84 GLU H H 84 8.567 8.567 8.639 -0.072 17849 6700 1 10 . 1 1 85 85 LEU N N 85 122.788 122.788 119.922 2.866 17849 6701 1 10 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.140 0.055 17849 6702 1 10 . 1 1 85 85 LEU CA C 85 56.517 56.517 56.754 -0.237 17849 6703 1 10 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.688 1.728 17849 6704 1 10 . 1 1 85 85 LEU H H 85 8.434 8.434 8.080 0.354 17849 6705 1 10 . 1 1 86 86 LEU N N 86 119.558 119.558 119.440 0.118 17849 6706 1 10 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.005 0.152 17849 6707 1 10 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.884 -1.765 17849 6708 1 10 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.547 0.010 17849 6709 1 10 . 1 1 86 86 LEU H H 86 8.037 8.037 7.616 0.421 17849 6710 1 10 . 1 1 87 87 GLU N N 87 121.323 121.323 119.830 1.493 17849 6711 1 10 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.998 -0.075 17849 6712 1 10 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.297 0.250 17849 6713 1 10 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.671 0.672 17849 6714 1 10 . 1 1 87 87 GLU H H 87 8.192 8.192 8.078 0.114 17849 6715 1 10 . 1 1 88 88 ALA N N 88 119.942 119.942 121.559 -1.617 17849 6716 1 10 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.312 -0.236 17849 6717 1 10 . 1 1 88 88 ALA C C 88 178.281 178.281 177.962 0.319 17849 6718 1 10 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.066 0.415 17849 6719 1 10 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.009 -0.199 17849 6720 1 10 . 1 1 88 88 ALA H H 88 8.363 8.363 7.409 0.954 17849 6721 1 10 . 1 1 89 89 PHE N N 89 111.807 111.807 116.659 -4.852 17849 6722 1 10 . 1 1 89 89 PHE HA H 89 4.489 4.489 5.030 -0.541 17849 6723 1 10 . 1 1 89 89 PHE C C 89 176.632 176.632 175.578 1.054 17849 6724 1 10 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.206 2.272 17849 6725 1 10 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.319 -0.677 17849 6726 1 10 . 1 1 89 89 PHE H H 89 7.855 7.855 8.021 -0.166 17849 6727 1 10 . 1 1 90 90 LYS N N 90 120.375 120.375 121.914 -1.539 17849 6728 1 10 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.319 -0.321 17849 6729 1 10 . 1 1 90 90 LYS C C 90 178.490 178.490 177.913 0.577 17849 6730 1 10 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.703 2.291 17849 6731 1 10 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.926 -1.012 17849 6732 1 10 . 1 1 90 90 LYS H H 90 7.957 7.957 8.026 -0.069 17849 6733 1 10 . 1 1 91 91 VAL N N 91 116.643 116.643 119.669 -3.026 17849 6734 1 10 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.563 0.311 17849 6735 1 10 . 1 1 91 91 VAL C C 91 175.413 175.413 176.708 -1.295 17849 6736 1 10 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.054 -1.361 17849 6737 1 10 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.415 -0.181 17849 6738 1 10 . 1 1 91 91 VAL H H 91 7.389 7.389 8.068 -0.679 17849 6739 1 10 . 1 1 92 92 PHE N N 92 115.769 115.769 112.035 3.734 17849 6740 1 10 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.266 0.254 17849 6741 1 10 . 1 1 92 92 PHE CA C 92 59.175 59.175 59.363 -0.188 17849 6742 1 10 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.746 1.488 17849 6743 1 10 . 1 1 92 92 PHE H H 92 7.534 7.534 7.817 -0.283 17849 6744 1 10 . 1 1 93 93 ASP N N 93 115.397 115.397 118.729 -3.332 17849 6745 1 10 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.730 0.128 17849 6746 1 10 . 1 1 93 93 ASP C C 93 177.421 177.421 176.179 1.242 17849 6747 1 10 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.731 -1.265 17849 6748 1 10 . 1 1 93 93 ASP CB C 93 38.980 38.980 41.367 -2.387 17849 6749 1 10 . 1 1 93 93 ASP H H 93 7.543 7.543 8.064 -0.521 17849 6750 1 10 . 1 1 94 94 LYS N N 94 125.591 125.591 125.223 0.368 17849 6751 1 10 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.239 -0.160 17849 6752 1 10 . 1 1 94 94 LYS C C 94 177.856 177.856 177.517 0.339 17849 6753 1 10 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.466 0.464 17849 6754 1 10 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.865 -0.471 17849 6755 1 10 . 1 1 94 94 LYS H H 94 7.873 7.873 8.525 -0.652 17849 6756 1 10 . 1 1 95 95 ASN N N 95 112.796 112.796 116.328 -3.532 17849 6757 1 10 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.687 0.110 17849 6758 1 10 . 1 1 95 95 ASN C C 95 176.619 176.619 176.295 0.324 17849 6759 1 10 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.367 -1.457 17849 6760 1 10 . 1 1 95 95 ASN CB C 95 37.276 37.276 39.537 -2.261 17849 6761 1 10 . 1 1 95 95 ASN H H 95 8.272 8.272 7.895 0.377 17849 6762 1 10 . 1 1 96 96 GLY N N 96 109.132 109.132 110.478 -1.346 17849 6763 1 10 . 1 1 96 96 GLY C C 96 174.799 174.799 174.333 0.466 17849 6764 1 10 . 1 1 96 96 GLY CA C 96 47.571 47.571 45.746 1.825 17849 6765 1 10 . 1 1 96 96 GLY H H 96 7.654 7.654 8.361 -0.707 17849 6766 1 10 . 1 1 97 97 ASP N N 97 118.796 118.796 123.693 -4.897 17849 6767 1 10 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.619 -0.089 17849 6768 1 10 . 1 1 97 97 ASP C C 97 177.137 177.137 177.398 -0.261 17849 6769 1 10 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.843 -0.451 17849 6770 1 10 . 1 1 97 97 ASP CB C 97 40.389 40.389 42.273 -1.884 17849 6771 1 10 . 1 1 97 97 ASP H H 97 8.090 8.090 8.650 -0.560 17849 6772 1 10 . 1 1 98 98 GLY N N 98 112.962 112.962 109.228 3.734 17849 6773 1 10 . 1 1 98 98 GLY C C 98 172.142 172.142 172.696 -0.554 17849 6774 1 10 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.337 0.387 17849 6775 1 10 . 1 1 98 98 GLY H H 98 10.329 10.329 8.319 2.010 17849 6776 1 10 . 1 1 99 99 LEU N N 99 119.691 119.691 119.076 0.615 17849 6777 1 10 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.838 -0.076 17849 6778 1 10 . 1 1 99 99 LEU C C 99 176.162 176.162 173.699 2.463 17849 6779 1 10 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.276 -1.452 17849 6780 1 10 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.247 -0.465 17849 6781 1 10 . 1 1 99 99 LEU H H 99 8.000 8.000 8.340 -0.340 17849 6782 1 10 . 1 1 100 100 ILE N N 100 127.464 127.464 116.411 11.053 17849 6783 1 10 . 1 1 100 100 ILE HA H 100 4.674 4.674 5.158 -0.484 17849 6784 1 10 . 1 1 100 100 ILE C C 100 175.006 175.006 174.354 0.652 17849 6785 1 10 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.425 1.995 17849 6786 1 10 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.633 -2.822 17849 6787 1 10 . 1 1 100 100 ILE H H 100 9.491 9.491 7.942 1.549 17849 6788 1 10 . 1 1 101 101 SER N N 101 123.104 123.104 118.843 4.261 17849 6789 1 10 . 1 1 101 101 SER HA H 101 4.770 4.770 4.841 -0.071 17849 6790 1 10 . 1 1 101 101 SER C C 101 174.847 174.847 175.508 -0.661 17849 6791 1 10 . 1 1 101 101 SER CA C 101 55.854 55.854 56.651 -0.797 17849 6792 1 10 . 1 1 101 101 SER CB C 101 65.994 65.994 65.846 0.148 17849 6793 1 10 . 1 1 101 101 SER H H 101 9.058 9.058 8.057 1.001 17849 6794 1 10 . 1 1 102 102 ALA N N 102 124.316 124.316 124.093 0.223 17849 6795 1 10 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.525 -0.909 17849 6796 1 10 . 1 1 102 102 ALA C C 102 179.388 179.388 178.850 0.538 17849 6797 1 10 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.597 0.127 17849 6798 1 10 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.604 -1.289 17849 6799 1 10 . 1 1 102 102 ALA H H 102 8.587 8.587 8.905 -0.318 17849 6800 1 10 . 1 1 103 103 ALA N N 103 118.346 118.346 119.744 -1.398 17849 6801 1 10 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.126 -0.126 17849 6802 1 10 . 1 1 103 103 ALA C C 103 181.188 181.188 179.703 1.485 17849 6803 1 10 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.695 0.363 17849 6804 1 10 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.360 0.029 17849 6805 1 10 . 1 1 103 103 ALA H H 103 8.266 8.266 8.546 -0.280 17849 6806 1 10 . 1 1 104 104 GLU N N 104 120.568 120.568 118.074 2.494 17849 6807 1 10 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.358 -0.302 17849 6808 1 10 . 1 1 104 104 GLU C C 104 178.762 178.762 178.543 0.219 17849 6809 1 10 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.222 1.746 17849 6810 1 10 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.827 -0.916 17849 6811 1 10 . 1 1 104 104 GLU H H 104 7.928 7.928 8.449 -0.521 17849 6812 1 10 . 1 1 105 105 LEU N N 105 117.903 117.903 120.579 -2.676 17849 6813 1 10 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.499 -0.470 17849 6814 1 10 . 1 1 105 105 LEU C C 105 178.497 178.497 178.098 0.399 17849 6815 1 10 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.920 1.533 17849 6816 1 10 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.182 1.010 17849 6817 1 10 . 1 1 105 105 LEU H H 105 7.926 7.926 8.344 -0.418 17849 6818 1 10 . 1 1 106 106 LYS N N 106 115.836 115.836 119.447 -3.611 17849 6819 1 10 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.246 -0.447 17849 6820 1 10 . 1 1 106 106 LYS C C 106 179.102 179.102 178.615 0.487 17849 6821 1 10 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.165 1.007 17849 6822 1 10 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.434 0.176 17849 6823 1 10 . 1 1 106 106 LYS H H 106 8.337 8.337 7.798 0.539 17849 6824 1 10 . 1 1 107 107 HIS N N 107 119.620 119.620 119.800 -0.180 17849 6825 1 10 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.332 -0.078 17849 6826 1 10 . 1 1 107 107 HIS C C 107 178.167 178.167 177.516 0.651 17849 6827 1 10 . 1 1 107 107 HIS CA C 107 59.928 59.928 59.307 0.621 17849 6828 1 10 . 1 1 107 107 HIS CB C 107 30.584 30.584 29.624 0.960 17849 6829 1 10 . 1 1 107 107 HIS H H 107 8.502 8.502 7.815 0.687 17849 6830 1 10 . 1 1 108 108 VAL N N 108 118.595 118.595 119.916 -1.321 17849 6831 1 10 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.674 -0.018 17849 6832 1 10 . 1 1 108 108 VAL C C 108 178.608 178.608 178.090 0.518 17849 6833 1 10 . 1 1 108 108 VAL CA C 108 66.356 66.356 66.439 -0.082 17849 6834 1 10 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.852 0.463 17849 6835 1 10 . 1 1 108 108 VAL H H 108 8.348 8.348 7.667 0.681 17849 6836 1 10 . 1 1 109 109 LEU N N 109 116.755 116.755 114.921 1.834 17849 6837 1 10 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.069 0.075 17849 6838 1 10 . 1 1 109 109 LEU C C 109 179.267 179.267 177.867 1.400 17849 6839 1 10 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.045 0.409 17849 6840 1 10 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.684 0.419 17849 6841 1 10 . 1 1 109 109 LEU H H 109 8.251 8.251 8.159 0.092 17849 6842 1 10 . 1 1 110 110 THR N N 110 111.046 111.046 111.536 -0.490 17849 6843 1 10 . 1 1 110 110 THR HA H 110 4.256 4.256 4.302 -0.046 17849 6844 1 10 . 1 1 110 110 THR C C 110 175.897 175.897 175.068 0.829 17849 6845 1 10 . 1 1 110 110 THR CA C 110 64.465 64.465 62.948 1.517 17849 6846 1 10 . 1 1 110 110 THR CB C 110 69.431 69.431 69.206 0.225 17849 6847 1 10 . 1 1 110 110 THR H H 110 8.085 8.085 7.905 0.180 17849 6848 1 10 . 1 1 111 111 SER N N 111 117.074 117.074 118.347 -1.273 17849 6849 1 10 . 1 1 111 111 SER HA H 111 4.406 4.406 4.329 0.077 17849 6850 1 10 . 1 1 111 111 SER C C 111 175.051 175.051 175.264 -0.213 17849 6851 1 10 . 1 1 111 111 SER CA C 111 59.968 59.968 61.350 -1.382 17849 6852 1 10 . 1 1 111 111 SER CB C 111 63.391 63.391 63.786 -0.395 17849 6853 1 10 . 1 1 111 111 SER H H 111 7.681 7.681 7.898 -0.217 17849 6854 1 10 . 1 1 112 112 ILE N N 112 119.783 119.783 113.988 5.795 17849 6855 1 10 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.744 0.347 17849 6856 1 10 . 1 1 112 112 ILE C C 112 177.040 177.040 174.747 2.293 17849 6857 1 10 . 1 1 112 112 ILE CA C 112 62.524 62.524 62.318 0.206 17849 6858 1 10 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.270 3.074 17849 6859 1 10 . 1 1 112 112 ILE H H 112 7.444 7.444 7.705 -0.261 17849 6860 1 10 . 1 1 113 113 GLY N N 113 110.432 110.432 107.529 2.903 17849 6861 1 10 . 1 1 113 113 GLY C C 113 174.442 174.442 174.427 0.015 17849 6862 1 10 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.901 0.742 17849 6863 1 10 . 1 1 113 113 GLY H H 113 8.148 8.148 7.993 0.155 17849 6864 1 10 . 1 1 114 114 GLU N N 114 120.374 120.374 123.292 -2.918 17849 6865 1 10 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.093 0.173 17849 6866 1 10 . 1 1 114 114 GLU C C 114 176.556 176.556 177.172 -0.616 17849 6867 1 10 . 1 1 114 114 GLU CA C 114 56.773 56.773 57.330 -0.557 17849 6868 1 10 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.796 0.494 17849 6869 1 10 . 1 1 114 114 GLU H H 114 8.092 8.092 8.661 -0.569 17849 6870 1 10 . 1 1 115 115 LYS N N 115 121.383 121.383 120.266 1.117 17849 6871 1 10 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.156 0.179 17849 6872 1 10 . 1 1 115 115 LYS C C 115 176.654 176.654 175.124 1.530 17849 6873 1 10 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.955 -0.656 17849 6874 1 10 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.544 0.295 17849 6875 1 10 . 1 1 115 115 LYS H H 115 8.221 8.221 8.111 0.110 17849 6876 1 10 . 1 1 116 116 LEU N N 116 123.146 123.146 120.208 2.938 17849 6877 1 10 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.855 -0.434 17849 6878 1 10 . 1 1 116 116 LEU C C 116 177.677 177.677 174.988 2.689 17849 6879 1 10 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.707 0.613 17849 6880 1 10 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.740 -1.431 17849 6881 1 10 . 1 1 116 116 LEU H H 116 8.265 8.265 8.063 0.202 17849 6882 1 10 . 1 1 117 117 THR N N 117 113.859 113.859 113.621 0.238 17849 6883 1 10 . 1 1 117 117 THR HA H 117 4.337 4.337 4.568 -0.231 17849 6884 1 10 . 1 1 117 117 THR C C 117 174.535 174.535 173.763 0.772 17849 6885 1 10 . 1 1 117 117 THR CA C 117 61.824 61.824 60.445 1.379 17849 6886 1 10 . 1 1 117 117 THR CB C 117 70.096 70.096 71.114 -1.018 17849 6887 1 10 . 1 1 117 117 THR H H 117 8.182 8.182 8.113 0.069 17849 6888 1 10 . 1 1 118 118 ASP N N 118 122.049 122.049 119.371 2.678 17849 6889 1 10 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.694 -0.161 17849 6890 1 10 . 1 1 118 118 ASP C C 118 176.728 176.728 178.345 -1.617 17849 6891 1 10 . 1 1 118 118 ASP CA C 118 55.218 55.218 56.297 -1.079 17849 6892 1 10 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.052 -0.200 17849 6893 1 10 . 1 1 118 118 ASP H H 118 8.367 8.367 8.536 -0.169 17849 6894 1 10 . 1 1 119 119 ALA N N 119 123.432 123.432 120.645 2.787 17849 6895 1 10 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.290 -0.071 17849 6896 1 10 . 1 1 119 119 ALA C C 119 178.486 178.486 178.051 0.435 17849 6897 1 10 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.474 -0.041 17849 6898 1 10 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.084 0.991 17849 6899 1 10 . 1 1 119 119 ALA H H 119 8.206 8.206 7.909 0.297 17849 6900 1 10 . 1 1 120 120 GLU N N 120 118.592 118.592 117.542 1.050 17849 6901 1 10 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.024 0.158 17849 6902 1 10 . 1 1 120 120 GLU C C 120 177.133 177.133 177.778 -0.645 17849 6903 1 10 . 1 1 120 120 GLU CA C 120 57.105 57.105 59.160 -2.055 17849 6904 1 10 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.559 0.493 17849 6905 1 10 . 1 1 120 120 GLU H H 120 8.187 8.187 8.464 -0.277 17849 6906 1 10 . 1 1 121 121 LEU N N 121 121.427 121.427 113.330 8.097 17849 6907 1 10 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.581 -0.377 17849 6908 1 10 . 1 1 121 121 LEU C C 121 177.710 177.710 177.485 0.225 17849 6909 1 10 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.691 0.061 17849 6910 1 10 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.308 -1.050 17849 6911 1 10 . 1 1 121 121 LEU H H 121 8.020 8.020 7.270 0.750 17849 6912 1 10 . 1 1 122 122 GLU N N 122 119.850 119.850 119.853 -0.003 17849 6913 1 10 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.126 0.001 17849 6914 1 10 . 1 1 122 122 GLU C C 122 176.518 176.518 175.869 0.649 17849 6915 1 10 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.445 -0.431 17849 6916 1 10 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.979 1.077 17849 6917 1 10 . 1 1 122 122 GLU H H 122 8.118 8.118 7.787 0.331 17849 6918 1 10 . 1 1 123 123 HIS N N 123 118.817 118.817 123.539 -4.722 17849 6919 1 10 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.608 0.651 17849 6920 1 10 . 1 1 123 123 HIS H H 123 8.106 8.106 8.369 -0.263 17849 6921 1 11 . 1 1 2 2 SER HA H 2 4.507 4.507 4.617 -0.110 17849 6922 1 11 . 1 1 2 2 SER CA C 2 58.342 58.342 57.938 0.404 17849 6923 1 11 . 1 1 2 2 SER CB C 2 63.883 63.883 63.692 0.191 17849 6924 1 11 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.942 -0.178 17849 6925 1 11 . 1 1 3 3 ASN C C 3 174.784 174.784 175.073 -0.289 17849 6926 1 11 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.704 0.421 17849 6927 1 11 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.742 -0.849 17849 6928 1 11 . 1 1 4 4 LEU N N 4 121.466 121.466 121.757 -0.291 17849 6929 1 11 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.560 0.140 17849 6930 1 11 . 1 1 4 4 LEU C C 4 177.665 177.665 176.495 1.170 17849 6931 1 11 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.346 -0.834 17849 6932 1 11 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.599 1.040 17849 6933 1 11 . 1 1 4 4 LEU H H 4 8.097 8.097 8.544 -0.447 17849 6934 1 11 . 1 1 5 5 THR N N 5 112.990 112.990 114.749 -1.759 17849 6935 1 11 . 1 1 5 5 THR HA H 5 4.481 4.481 4.593 -0.112 17849 6936 1 11 . 1 1 5 5 THR C C 5 175.474 175.474 175.169 0.305 17849 6937 1 11 . 1 1 5 5 THR CA C 5 60.528 60.528 59.717 0.812 17849 6938 1 11 . 1 1 5 5 THR CB C 5 71.244 71.244 71.552 -0.308 17849 6939 1 11 . 1 1 5 5 THR H H 5 8.778 8.778 7.811 0.967 17849 6940 1 11 . 1 1 6 6 GLU N N 6 120.343 120.343 121.300 -0.957 17849 6941 1 11 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.878 0.124 17849 6942 1 11 . 1 1 6 6 GLU C C 6 179.568 179.568 178.343 1.225 17849 6943 1 11 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.448 -0.272 17849 6944 1 11 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.074 0.151 17849 6945 1 11 . 1 1 6 6 GLU H H 6 9.078 9.078 8.910 0.168 17849 6946 1 11 . 1 1 7 7 GLU N N 7 119.544 119.544 119.730 -0.186 17849 6947 1 11 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.908 0.203 17849 6948 1 11 . 1 1 7 7 GLU C C 7 179.170 179.170 179.149 0.021 17849 6949 1 11 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.191 0.845 17849 6950 1 11 . 1 1 7 7 GLU CB C 7 29.117 29.117 28.985 0.132 17849 6951 1 11 . 1 1 7 7 GLU H H 7 8.820 8.820 8.324 0.496 17849 6952 1 11 . 1 1 8 8 GLN N N 8 119.824 119.824 117.789 2.035 17849 6953 1 11 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.685 0.479 17849 6954 1 11 . 1 1 8 8 GLN C C 8 179.652 179.652 177.931 1.721 17849 6955 1 11 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.241 0.511 17849 6956 1 11 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.355 1.384 17849 6957 1 11 . 1 1 8 8 GLN H H 8 7.812 7.812 7.244 0.568 17849 6958 1 11 . 1 1 9 9 ILE N N 9 120.978 120.978 119.821 1.157 17849 6959 1 11 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.513 0.339 17849 6960 1 11 . 1 1 9 9 ILE C C 9 177.899 177.899 178.937 -1.038 17849 6961 1 11 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.002 1.574 17849 6962 1 11 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.521 0.468 17849 6963 1 11 . 1 1 9 9 ILE H H 9 8.634 8.634 8.304 0.330 17849 6964 1 11 . 1 1 10 10 ALA N N 10 121.528 121.528 121.288 0.240 17849 6965 1 11 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.082 0.024 17849 6966 1 11 . 1 1 10 10 ALA C C 10 180.886 180.886 178.921 1.965 17849 6967 1 11 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.022 0.396 17849 6968 1 11 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.876 -0.101 17849 6969 1 11 . 1 1 10 10 ALA H H 10 8.142 8.142 8.183 -0.041 17849 6970 1 11 . 1 1 11 11 GLU N N 11 118.807 118.807 119.554 -0.747 17849 6971 1 11 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.055 0.159 17849 6972 1 11 . 1 1 11 11 GLU C C 11 180.292 180.292 179.146 1.146 17849 6973 1 11 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.297 0.067 17849 6974 1 11 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.556 0.232 17849 6975 1 11 . 1 1 11 11 GLU H H 11 7.810 7.810 7.674 0.136 17849 6976 1 11 . 1 1 12 12 PHE N N 12 118.671 118.671 118.562 0.109 17849 6977 1 11 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.389 0.258 17849 6978 1 11 . 1 1 12 12 PHE C C 12 179.032 179.032 178.087 0.945 17849 6979 1 11 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.256 3.904 17849 6980 1 11 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.599 1.417 17849 6981 1 11 . 1 1 12 12 PHE H H 12 8.432 8.432 8.272 0.160 17849 6982 1 11 . 1 1 13 13 LYS N N 13 123.536 123.536 119.238 4.298 17849 6983 1 11 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.004 -0.164 17849 6984 1 11 . 1 1 13 13 LYS C C 13 179.114 179.114 178.865 0.249 17849 6985 1 11 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.932 -0.844 17849 6986 1 11 . 1 1 13 13 LYS CB C 13 31.652 31.652 31.977 -0.325 17849 6987 1 11 . 1 1 13 13 LYS H H 13 8.981 8.981 8.040 0.941 17849 6988 1 11 . 1 1 14 14 GLU N N 14 119.691 119.691 118.570 1.121 17849 6989 1 11 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.166 -0.069 17849 6990 1 11 . 1 1 14 14 GLU C C 14 179.285 179.285 178.959 0.326 17849 6991 1 11 . 1 1 14 14 GLU CA C 14 59.245 59.245 59.133 0.112 17849 6992 1 11 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.393 0.248 17849 6993 1 11 . 1 1 14 14 GLU H H 14 7.737 7.737 8.089 -0.352 17849 6994 1 11 . 1 1 15 15 ALA N N 15 120.127 120.127 122.563 -2.436 17849 6995 1 11 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.230 -0.063 17849 6996 1 11 . 1 1 15 15 ALA C C 15 178.607 178.607 179.797 -1.190 17849 6997 1 11 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.182 -0.123 17849 6998 1 11 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.602 0.529 17849 6999 1 11 . 1 1 15 15 ALA H H 15 7.747 7.747 8.091 -0.344 17849 7000 1 11 . 1 1 16 16 PHE N N 16 119.058 119.058 119.170 -0.112 17849 7001 1 11 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.964 -0.657 17849 7002 1 11 . 1 1 16 16 PHE C C 16 177.236 177.236 177.168 0.068 17849 7003 1 11 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.345 0.360 17849 7004 1 11 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.280 0.472 17849 7005 1 11 . 1 1 16 16 PHE H H 16 8.908 8.908 8.577 0.331 17849 7006 1 11 . 1 1 17 17 ALA N N 17 119.352 119.352 123.027 -3.675 17849 7007 1 11 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.347 -0.224 17849 7008 1 11 . 1 1 17 17 ALA C C 17 178.680 178.680 179.439 -0.759 17849 7009 1 11 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.898 -0.359 17849 7010 1 11 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.469 -0.254 17849 7011 1 11 . 1 1 17 17 ALA H H 17 7.877 7.877 7.896 -0.019 17849 7012 1 11 . 1 1 18 18 LEU N N 18 115.281 115.281 117.255 -1.974 17849 7013 1 11 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.983 0.072 17849 7014 1 11 . 1 1 18 18 LEU C C 18 178.393 178.393 178.793 -0.400 17849 7015 1 11 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.912 -1.270 17849 7016 1 11 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.541 0.202 17849 7017 1 11 . 1 1 18 18 LEU H H 18 7.369 7.369 8.526 -1.157 17849 7018 1 11 . 1 1 19 19 PHE N N 19 115.719 115.719 114.284 1.435 17849 7019 1 11 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.504 -0.295 17849 7020 1 11 . 1 1 19 19 PHE C C 19 176.704 176.704 176.044 0.660 17849 7021 1 11 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.268 -0.035 17849 7022 1 11 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.733 0.937 17849 7023 1 11 . 1 1 19 19 PHE H H 19 7.468 7.468 8.098 -0.630 17849 7024 1 11 . 1 1 20 20 ASP N N 20 117.209 117.209 119.115 -1.906 17849 7025 1 11 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.805 -0.344 17849 7026 1 11 . 1 1 20 20 ASP C C 20 176.557 176.557 176.679 -0.122 17849 7027 1 11 . 1 1 20 20 ASP CA C 20 52.245 52.245 52.831 -0.586 17849 7028 1 11 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.277 -2.130 17849 7029 1 11 . 1 1 20 20 ASP H H 20 7.488 7.488 8.268 -0.780 17849 7030 1 11 . 1 1 21 21 LYS N N 21 124.086 124.086 126.239 -2.153 17849 7031 1 11 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.156 -0.158 17849 7032 1 11 . 1 1 21 21 LYS C C 21 177.844 177.844 177.636 0.208 17849 7033 1 11 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.808 -0.500 17849 7034 1 11 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.310 0.142 17849 7035 1 11 . 1 1 21 21 LYS H H 21 7.376 7.376 8.593 -1.217 17849 7036 1 11 . 1 1 22 22 ASP N N 22 114.097 114.097 116.586 -2.489 17849 7037 1 11 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.474 0.130 17849 7038 1 11 . 1 1 22 22 ASP C C 22 176.349 176.349 176.388 -0.039 17849 7039 1 11 . 1 1 22 22 ASP CA C 22 52.703 52.703 54.104 -1.401 17849 7040 1 11 . 1 1 22 22 ASP CB C 22 39.355 39.355 39.890 -0.535 17849 7041 1 11 . 1 1 22 22 ASP H H 22 8.113 8.113 8.379 -0.266 17849 7042 1 11 . 1 1 23 23 ASN N N 23 115.562 115.562 115.678 -0.116 17849 7043 1 11 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.648 -0.253 17849 7044 1 11 . 1 1 23 23 ASN C C 23 174.864 174.864 174.948 -0.084 17849 7045 1 11 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.779 0.621 17849 7046 1 11 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.408 0.516 17849 7047 1 11 . 1 1 23 23 ASN H H 23 8.048 8.048 8.389 -0.341 17849 7048 1 11 . 1 1 24 24 ASN N N 24 117.615 117.615 115.760 1.855 17849 7049 1 11 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.519 0.316 17849 7050 1 11 . 1 1 24 24 ASN C C 24 177.445 177.445 175.794 1.651 17849 7051 1 11 . 1 1 24 24 ASN CA C 24 52.415 52.415 54.859 -2.444 17849 7052 1 11 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.877 -0.396 17849 7053 1 11 . 1 1 24 24 ASN H H 24 8.517 8.517 8.167 0.350 17849 7054 1 11 . 1 1 25 25 GLY N N 25 114.308 114.308 106.167 8.141 17849 7055 1 11 . 1 1 25 25 GLY C C 25 173.105 173.105 173.189 -0.084 17849 7056 1 11 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.906 0.574 17849 7057 1 11 . 1 1 25 25 GLY H H 25 10.729 10.729 8.159 2.570 17849 7058 1 11 . 1 1 26 26 SER N N 26 113.267 113.267 114.692 -1.425 17849 7059 1 11 . 1 1 26 26 SER HA H 26 5.330 5.330 5.771 -0.441 17849 7060 1 11 . 1 1 26 26 SER C C 26 172.610 172.610 173.219 -0.609 17849 7061 1 11 . 1 1 26 26 SER CA C 26 57.375 57.375 56.652 0.723 17849 7062 1 11 . 1 1 26 26 SER CB C 26 66.504 66.504 67.627 -1.123 17849 7063 1 11 . 1 1 26 26 SER H H 26 7.773 7.773 7.627 0.146 17849 7064 1 11 . 1 1 27 27 ILE N N 27 127.124 127.124 121.326 5.798 17849 7065 1 11 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.713 0.175 17849 7066 1 11 . 1 1 27 27 ILE C C 27 175.876 175.876 174.800 1.076 17849 7067 1 11 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.121 -0.085 17849 7068 1 11 . 1 1 27 27 ILE CB C 27 38.896 38.896 42.120 -3.224 17849 7069 1 11 . 1 1 27 27 ILE H H 27 9.848 9.848 8.287 1.561 17849 7070 1 11 . 1 1 28 28 SER N N 28 124.825 124.825 120.407 4.418 17849 7071 1 11 . 1 1 28 28 SER HA H 28 4.771 4.771 5.077 -0.306 17849 7072 1 11 . 1 1 28 28 SER C C 28 175.395 175.395 175.545 -0.150 17849 7073 1 11 . 1 1 28 28 SER CA C 28 56.680 56.680 55.188 1.492 17849 7074 1 11 . 1 1 28 28 SER CB C 28 66.154 66.154 65.670 0.484 17849 7075 1 11 . 1 1 28 28 SER H H 28 9.347 9.347 8.517 0.830 17849 7076 1 11 . 1 1 29 29 SER N N 29 116.882 116.882 122.076 -5.194 17849 7077 1 11 . 1 1 29 29 SER HA H 29 4.144 4.144 4.201 -0.057 17849 7078 1 11 . 1 1 29 29 SER C C 29 176.516 176.516 176.484 0.032 17849 7079 1 11 . 1 1 29 29 SER CA C 29 62.634 62.634 61.155 1.479 17849 7080 1 11 . 1 1 29 29 SER CB C 29 62.227 62.227 62.980 -0.752 17849 7081 1 11 . 1 1 29 29 SER H H 29 9.604 9.604 9.195 0.409 17849 7082 1 11 . 1 1 30 30 SER N N 30 116.141 116.141 117.728 -1.587 17849 7083 1 11 . 1 1 30 30 SER HA H 30 4.327 4.327 4.149 0.178 17849 7084 1 11 . 1 1 30 30 SER C C 30 177.965 177.965 176.600 1.365 17849 7085 1 11 . 1 1 30 30 SER CA C 30 61.341 61.341 61.716 -0.375 17849 7086 1 11 . 1 1 30 30 SER CB C 30 62.429 62.429 63.029 -0.600 17849 7087 1 11 . 1 1 30 30 SER H H 30 8.184 8.184 7.961 0.223 17849 7088 1 11 . 1 1 31 31 GLU N N 31 124.933 124.933 123.353 1.580 17849 7089 1 11 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.100 -0.009 17849 7090 1 11 . 1 1 31 31 GLU C C 31 179.355 179.355 178.817 0.538 17849 7091 1 11 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.048 0.394 17849 7092 1 11 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.266 0.069 17849 7093 1 11 . 1 1 31 31 GLU H H 31 7.973 7.973 8.204 -0.231 17849 7094 1 11 . 1 1 32 32 LEU N N 32 120.778 120.778 120.728 0.050 17849 7095 1 11 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.328 -0.161 17849 7096 1 11 . 1 1 32 32 LEU C C 32 178.364 178.364 178.684 -0.320 17849 7097 1 11 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.586 0.761 17849 7098 1 11 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.130 -0.019 17849 7099 1 11 . 1 1 32 32 LEU H H 32 8.616 8.616 8.476 0.140 17849 7100 1 11 . 1 1 33 33 ALA N N 33 120.423 120.423 121.661 -1.238 17849 7101 1 11 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.966 -0.090 17849 7102 1 11 . 1 1 33 33 ALA C C 33 179.394 179.394 179.227 0.167 17849 7103 1 11 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.170 0.618 17849 7104 1 11 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.044 0.474 17849 7105 1 11 . 1 1 33 33 ALA H H 33 8.688 8.688 8.385 0.303 17849 7106 1 11 . 1 1 34 34 THR N N 34 114.299 114.299 114.991 -0.692 17849 7107 1 11 . 1 1 34 34 THR HA H 34 3.902 3.902 3.962 -0.060 17849 7108 1 11 . 1 1 34 34 THR C C 34 177.161 177.161 176.548 0.613 17849 7109 1 11 . 1 1 34 34 THR CA C 34 67.173 67.173 66.775 0.398 17849 7110 1 11 . 1 1 34 34 THR CB C 34 68.712 68.712 68.823 -0.111 17849 7111 1 11 . 1 1 34 34 THR H H 34 8.219 8.219 8.076 0.143 17849 7112 1 11 . 1 1 35 35 VAL N N 35 122.638 122.638 120.147 2.491 17849 7113 1 11 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.656 -0.072 17849 7114 1 11 . 1 1 35 35 VAL C C 35 178.403 178.403 177.172 1.231 17849 7115 1 11 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.980 0.904 17849 7116 1 11 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.401 -0.040 17849 7117 1 11 . 1 1 35 35 VAL H H 35 7.791 7.791 8.078 -0.287 17849 7118 1 11 . 1 1 36 36 MET N N 36 117.307 117.307 119.019 -1.712 17849 7119 1 11 . 1 1 36 36 MET HA H 36 3.906 3.906 4.141 -0.235 17849 7120 1 11 . 1 1 36 36 MET C C 36 178.456 178.456 178.312 0.144 17849 7121 1 11 . 1 1 36 36 MET CA C 36 59.787 59.787 57.158 2.629 17849 7122 1 11 . 1 1 36 36 MET CB C 36 32.548 32.548 31.208 1.340 17849 7123 1 11 . 1 1 36 36 MET H H 36 8.308 8.308 7.564 0.744 17849 7124 1 11 . 1 1 37 37 ARG N N 37 118.384 118.384 118.094 0.290 17849 7125 1 11 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.320 0.437 17849 7126 1 11 . 1 1 37 37 ARG C C 37 181.371 181.371 178.660 2.711 17849 7127 1 11 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.739 0.148 17849 7128 1 11 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.138 0.960 17849 7129 1 11 . 1 1 37 37 ARG H H 37 8.634 8.634 8.596 0.038 17849 7130 1 11 . 1 1 38 38 SER N N 38 118.916 118.916 113.017 5.899 17849 7131 1 11 . 1 1 38 38 SER HA H 38 4.339 4.339 4.265 0.074 17849 7132 1 11 . 1 1 38 38 SER C C 38 174.705 174.705 176.127 -1.422 17849 7133 1 11 . 1 1 38 38 SER CA C 38 61.793 61.793 59.575 2.218 17849 7134 1 11 . 1 1 38 38 SER CB C 38 62.713 62.713 63.246 -0.533 17849 7135 1 11 . 1 1 38 38 SER H H 38 8.226 8.226 7.687 0.539 17849 7136 1 11 . 1 1 39 39 LEU N N 39 119.948 119.948 120.048 -0.100 17849 7137 1 11 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.993 0.303 17849 7138 1 11 . 1 1 39 39 LEU C C 39 176.723 176.723 178.104 -1.381 17849 7139 1 11 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.004 -2.444 17849 7140 1 11 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.403 -0.414 17849 7141 1 11 . 1 1 39 39 LEU H H 39 7.331 7.331 7.951 -0.620 17849 7142 1 11 . 1 1 40 40 GLY N N 40 105.997 105.997 104.344 1.653 17849 7143 1 11 . 1 1 40 40 GLY C C 40 174.405 174.405 173.880 0.525 17849 7144 1 11 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.825 0.363 17849 7145 1 11 . 1 1 40 40 GLY H H 40 7.889 7.889 7.830 0.059 17849 7146 1 11 . 1 1 41 41 LEU N N 41 120.071 120.071 116.760 3.311 17849 7147 1 11 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.651 -0.165 17849 7148 1 11 . 1 1 41 41 LEU C C 41 175.829 175.829 175.731 0.098 17849 7149 1 11 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.954 0.233 17849 7150 1 11 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.449 -0.876 17849 7151 1 11 . 1 1 41 41 LEU H H 41 7.592 7.592 7.394 0.198 17849 7152 1 11 . 1 1 42 42 SER N N 42 112.869 112.869 115.311 -2.442 17849 7153 1 11 . 1 1 42 42 SER HA H 42 4.797 4.797 4.763 0.033 17849 7154 1 11 . 1 1 42 42 SER CA C 42 54.960 54.960 54.759 0.201 17849 7155 1 11 . 1 1 42 42 SER CB C 42 63.177 63.177 63.990 -0.813 17849 7156 1 11 . 1 1 42 42 SER H H 42 8.761 8.761 8.522 0.239 17849 7157 1 11 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.546 0.162 17849 7158 1 11 . 1 1 43 43 PRO C C 43 177.533 177.533 175.704 1.829 17849 7159 1 11 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.405 -0.230 17849 7160 1 11 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.384 -0.510 17849 7161 1 11 . 1 1 44 44 SER N N 44 119.089 119.089 118.546 0.543 17849 7162 1 11 . 1 1 44 44 SER HA H 44 4.574 4.574 4.591 -0.017 17849 7163 1 11 . 1 1 44 44 SER C C 44 174.803 174.803 175.649 -0.846 17849 7164 1 11 . 1 1 44 44 SER CA C 44 56.786 56.786 57.313 -0.527 17849 7165 1 11 . 1 1 44 44 SER CB C 44 65.387 65.387 65.319 0.068 17849 7166 1 11 . 1 1 44 44 SER H H 44 9.014 9.014 8.243 0.771 17849 7167 1 11 . 1 1 45 45 GLU N N 45 121.343 121.343 126.426 -5.083 17849 7168 1 11 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.865 0.079 17849 7169 1 11 . 1 1 45 45 GLU C C 45 178.978 178.978 177.919 1.059 17849 7170 1 11 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.928 0.178 17849 7171 1 11 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.679 -0.376 17849 7172 1 11 . 1 1 45 45 GLU H H 45 8.925 8.925 9.136 -0.211 17849 7173 1 11 . 1 1 46 46 ALA N N 46 120.822 120.822 121.374 -0.552 17849 7174 1 11 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.232 -0.086 17849 7175 1 11 . 1 1 46 46 ALA C C 46 179.782 179.782 179.765 0.017 17849 7176 1 11 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.756 0.330 17849 7177 1 11 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.003 0.253 17849 7178 1 11 . 1 1 46 46 ALA H H 46 8.339 8.339 8.272 0.067 17849 7179 1 11 . 1 1 47 47 GLU N N 47 118.432 118.432 118.940 -0.508 17849 7180 1 11 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.091 -0.017 17849 7181 1 11 . 1 1 47 47 GLU C C 47 180.222 180.222 179.105 1.117 17849 7182 1 11 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.951 0.258 17849 7183 1 11 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.148 0.737 17849 7184 1 11 . 1 1 47 47 GLU H H 47 7.759 7.759 7.653 0.106 17849 7185 1 11 . 1 1 48 48 VAL N N 48 120.023 120.023 119.896 0.127 17849 7186 1 11 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.689 -0.191 17849 7187 1 11 . 1 1 48 48 VAL C C 48 177.380 177.380 177.886 -0.506 17849 7188 1 11 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.212 1.046 17849 7189 1 11 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.354 0.007 17849 7190 1 11 . 1 1 48 48 VAL H H 48 8.174 8.174 8.679 -0.505 17849 7191 1 11 . 1 1 49 49 ASN N N 49 118.475 118.475 118.407 0.068 17849 7192 1 11 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.376 0.029 17849 7193 1 11 . 1 1 49 49 ASN C C 49 177.352 177.352 177.195 0.157 17849 7194 1 11 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.496 0.214 17849 7195 1 11 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.703 0.567 17849 7196 1 11 . 1 1 49 49 ASN H H 49 8.208 8.208 8.096 0.112 17849 7197 1 11 . 1 1 50 50 ASP N N 50 120.147 120.147 120.529 -0.382 17849 7198 1 11 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.422 0.060 17849 7199 1 11 . 1 1 50 50 ASP C C 50 178.973 178.973 178.232 0.741 17849 7200 1 11 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.994 0.446 17849 7201 1 11 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.608 -0.429 17849 7202 1 11 . 1 1 50 50 ASP H H 50 8.400 8.400 7.682 0.718 17849 7203 1 11 . 1 1 51 51 LEU N N 51 121.706 121.706 119.622 2.084 17849 7204 1 11 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.212 -0.104 17849 7205 1 11 . 1 1 51 51 LEU C C 51 178.796 178.796 179.229 -0.433 17849 7206 1 11 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.176 0.956 17849 7207 1 11 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.108 -0.218 17849 7208 1 11 . 1 1 51 51 LEU H H 51 7.830 7.830 8.178 -0.348 17849 7209 1 11 . 1 1 52 52 MET N N 52 117.267 117.267 117.221 0.046 17849 7210 1 11 . 1 1 52 52 MET HA H 52 4.145 4.145 4.262 -0.117 17849 7211 1 11 . 1 1 52 52 MET C C 52 178.260 178.260 178.955 -0.695 17849 7212 1 11 . 1 1 52 52 MET CA C 52 57.418 57.418 56.877 0.541 17849 7213 1 11 . 1 1 52 52 MET CB C 52 30.089 30.089 31.031 -0.942 17849 7214 1 11 . 1 1 52 52 MET H H 52 8.601 8.601 8.672 -0.071 17849 7215 1 11 . 1 1 53 53 ASN N N 53 115.368 115.368 118.744 -3.376 17849 7216 1 11 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.529 0.044 17849 7217 1 11 . 1 1 53 53 ASN C C 53 176.890 176.890 176.804 0.086 17849 7218 1 11 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.872 -0.540 17849 7219 1 11 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.472 -0.318 17849 7220 1 11 . 1 1 53 53 ASN H H 53 8.239 8.239 8.242 -0.003 17849 7221 1 11 . 1 1 54 54 GLU N N 54 117.437 117.437 118.681 -1.244 17849 7222 1 11 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.125 0.124 17849 7223 1 11 . 1 1 54 54 GLU C C 54 177.019 177.019 178.553 -1.534 17849 7224 1 11 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.493 -0.806 17849 7225 1 11 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.792 0.301 17849 7226 1 11 . 1 1 54 54 GLU H H 54 7.625 7.625 7.619 0.006 17849 7227 1 11 . 1 1 55 55 ILE N N 55 117.098 117.098 117.395 -0.297 17849 7228 1 11 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.774 0.127 17849 7229 1 11 . 1 1 55 55 ILE C C 55 176.027 176.027 176.161 -0.134 17849 7230 1 11 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.762 -1.125 17849 7231 1 11 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.058 1.978 17849 7232 1 11 . 1 1 55 55 ILE H H 55 7.496 7.496 7.451 0.045 17849 7233 1 11 . 1 1 56 56 ASP N N 56 118.367 118.367 119.764 -1.397 17849 7234 1 11 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.688 -0.271 17849 7235 1 11 . 1 1 56 56 ASP C C 56 175.761 175.761 176.165 -0.404 17849 7236 1 11 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.844 -0.437 17849 7237 1 11 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.350 -0.117 17849 7238 1 11 . 1 1 56 56 ASP H H 56 8.329 8.329 7.579 0.750 17849 7239 1 11 . 1 1 57 57 VAL N N 57 126.262 126.262 123.261 3.001 17849 7240 1 11 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.007 -0.001 17849 7241 1 11 . 1 1 57 57 VAL C C 57 177.253 177.253 176.501 0.752 17849 7242 1 11 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.989 0.236 17849 7243 1 11 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.492 0.694 17849 7244 1 11 . 1 1 57 57 VAL H H 57 8.116 8.116 8.289 -0.173 17849 7245 1 11 . 1 1 58 58 ASP N N 58 116.896 116.896 118.154 -1.258 17849 7246 1 11 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.640 -0.068 17849 7247 1 11 . 1 1 58 58 ASP C C 58 177.670 177.670 176.892 0.778 17849 7248 1 11 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.758 0.047 17849 7249 1 11 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.281 -1.288 17849 7250 1 11 . 1 1 58 58 ASP H H 58 8.356 8.356 8.164 0.192 17849 7251 1 11 . 1 1 59 59 GLY N N 59 107.989 107.989 108.684 -0.695 17849 7252 1 11 . 1 1 59 59 GLY C C 59 174.661 174.661 175.122 -0.461 17849 7253 1 11 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.173 1.906 17849 7254 1 11 . 1 1 59 59 GLY H H 59 7.622 7.622 8.377 -0.755 17849 7255 1 11 . 1 1 60 60 ASN N N 60 118.703 118.703 118.518 0.185 17849 7256 1 11 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.415 0.127 17849 7257 1 11 . 1 1 60 60 ASN C C 60 175.787 175.787 174.179 1.608 17849 7258 1 11 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.125 0.158 17849 7259 1 11 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.216 -1.032 17849 7260 1 11 . 1 1 60 60 ASN H H 60 8.096 8.096 8.699 -0.603 17849 7261 1 11 . 1 1 61 61 HIS N N 61 117.475 117.475 112.153 5.322 17849 7262 1 11 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.293 -0.425 17849 7263 1 11 . 1 1 61 61 HIS C C 61 172.407 172.407 173.296 -0.889 17849 7264 1 11 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.879 -0.451 17849 7265 1 11 . 1 1 61 61 HIS CB C 61 26.973 26.973 25.893 1.080 17849 7266 1 11 . 1 1 61 61 HIS H H 61 9.998 9.998 8.626 1.372 17849 7267 1 11 . 1 1 62 62 GLN N N 62 112.629 112.629 115.914 -3.285 17849 7268 1 11 . 1 1 62 62 GLN HA H 62 4.809 4.809 4.983 -0.174 17849 7269 1 11 . 1 1 62 62 GLN C C 62 174.654 174.654 174.614 0.040 17849 7270 1 11 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.821 -1.013 17849 7271 1 11 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.690 -0.564 17849 7272 1 11 . 1 1 62 62 GLN H H 62 7.541 7.541 8.148 -0.607 17849 7273 1 11 . 1 1 63 63 ILE N N 63 123.800 123.800 125.104 -1.304 17849 7274 1 11 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.302 0.744 17849 7275 1 11 . 1 1 63 63 ILE C C 63 176.626 176.626 175.394 1.232 17849 7276 1 11 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.377 1.516 17849 7277 1 11 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.559 1.621 17849 7278 1 11 . 1 1 63 63 ILE H H 63 9.312 9.312 8.667 0.645 17849 7279 1 11 . 1 1 64 64 GLU N N 64 128.941 128.941 127.487 1.454 17849 7280 1 11 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.507 0.469 17849 7281 1 11 . 1 1 64 64 GLU C C 64 178.001 178.001 177.736 0.265 17849 7282 1 11 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.754 1.966 17849 7283 1 11 . 1 1 64 64 GLU CB C 64 31.228 31.228 31.822 -0.594 17849 7284 1 11 . 1 1 64 64 GLU H H 64 8.846 8.846 7.955 0.891 17849 7285 1 11 . 1 1 65 65 PHE N N 65 124.119 124.119 123.188 0.931 17849 7286 1 11 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.285 -0.759 17849 7287 1 11 . 1 1 65 65 PHE C C 65 176.981 176.981 177.129 -0.148 17849 7288 1 11 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.482 0.782 17849 7289 1 11 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.315 -1.491 17849 7290 1 11 . 1 1 65 65 PHE H H 65 9.488 9.488 9.307 0.181 17849 7291 1 11 . 1 1 66 66 SER N N 66 112.445 112.445 114.929 -2.484 17849 7292 1 11 . 1 1 66 66 SER HA H 66 3.667 3.667 4.329 -0.662 17849 7293 1 11 . 1 1 66 66 SER C C 66 177.385 177.385 176.347 1.038 17849 7294 1 11 . 1 1 66 66 SER CA C 66 61.503 61.503 61.519 -0.016 17849 7295 1 11 . 1 1 66 66 SER CB C 66 61.285 61.285 62.410 -1.125 17849 7296 1 11 . 1 1 66 66 SER H H 66 8.972 8.972 8.421 0.551 17849 7297 1 11 . 1 1 67 67 GLU N N 67 122.775 122.775 122.133 0.642 17849 7298 1 11 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.960 0.160 17849 7299 1 11 . 1 1 67 67 GLU C C 67 178.567 178.567 178.935 -0.368 17849 7300 1 11 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.550 -1.707 17849 7301 1 11 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.220 0.029 17849 7302 1 11 . 1 1 67 67 GLU H H 67 6.799 6.799 8.617 -1.818 17849 7303 1 11 . 1 1 68 68 PHE N N 68 123.231 123.231 119.578 3.653 17849 7304 1 11 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.108 -0.277 17849 7305 1 11 . 1 1 68 68 PHE C C 68 175.936 175.936 177.339 -1.403 17849 7306 1 11 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.162 -0.046 17849 7307 1 11 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.322 0.893 17849 7308 1 11 . 1 1 68 68 PHE H H 68 8.176 8.176 8.747 -0.571 17849 7309 1 11 . 1 1 69 69 LEU N N 69 118.554 118.554 119.544 -0.990 17849 7310 1 11 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.535 -0.369 17849 7311 1 11 . 1 1 69 69 LEU C C 69 179.074 179.074 178.785 0.289 17849 7312 1 11 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.969 0.163 17849 7313 1 11 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.296 -0.030 17849 7314 1 11 . 1 1 69 69 LEU H H 69 8.626 8.626 7.387 1.239 17849 7315 1 11 . 1 1 70 70 ALA N N 70 120.878 120.878 122.560 -1.682 17849 7316 1 11 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.018 -0.133 17849 7317 1 11 . 1 1 70 70 ALA C C 70 179.914 179.914 179.667 0.247 17849 7318 1 11 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.512 0.458 17849 7319 1 11 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.167 -0.390 17849 7320 1 11 . 1 1 70 70 ALA H H 70 7.322 7.322 8.179 -0.857 17849 7321 1 11 . 1 1 71 71 LEU N N 71 118.871 118.871 115.833 3.038 17849 7322 1 11 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.620 0.308 17849 7323 1 11 . 1 1 71 71 LEU C C 71 178.009 178.009 177.241 0.768 17849 7324 1 11 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.253 1.491 17849 7325 1 11 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.062 0.350 17849 7326 1 11 . 1 1 71 71 LEU H H 71 7.219 7.219 7.065 0.154 17849 7327 1 11 . 1 1 72 72 MET N N 72 113.480 113.480 111.344 2.136 17849 7328 1 11 . 1 1 72 72 MET HA H 72 4.165 4.165 4.365 -0.200 17849 7329 1 11 . 1 1 72 72 MET CA C 72 55.413 55.413 56.366 -0.953 17849 7330 1 11 . 1 1 72 72 MET CB C 72 31.199 31.199 33.838 -2.639 17849 7331 1 11 . 1 1 72 72 MET H H 72 7.486 7.486 7.354 0.132 17849 7332 1 11 . 1 1 73 73 SER HA H 73 4.337 4.337 4.652 -0.315 17849 7333 1 11 . 1 1 73 73 SER C C 73 174.241 174.241 175.728 -1.487 17849 7334 1 11 . 1 1 73 73 SER CA C 73 59.132 59.132 57.217 1.915 17849 7335 1 11 . 1 1 73 73 SER CB C 73 63.649 63.649 64.163 -0.514 17849 7336 1 11 . 1 1 73 73 SER H H 73 7.699 7.699 7.865 -0.166 17849 7337 1 11 . 1 1 74 74 ARG N N 74 121.213 121.213 122.650 -1.437 17849 7338 1 11 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.944 0.267 17849 7339 1 11 . 1 1 74 74 ARG C C 74 175.638 175.638 177.659 -2.021 17849 7340 1 11 . 1 1 74 74 ARG CA C 74 56.850 56.850 59.654 -2.804 17849 7341 1 11 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.132 0.540 17849 7342 1 11 . 1 1 74 74 ARG H H 74 7.400 7.400 7.766 -0.366 17849 7343 1 11 . 1 1 75 75 GLN N N 75 118.914 118.914 115.859 3.055 17849 7344 1 11 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.174 1.141 17849 7345 1 11 . 1 1 75 75 GLN H H 75 8.090 8.090 8.238 -0.148 17849 7346 1 11 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.179 0.208 17849 7347 1 11 . 1 1 77 77 LYS C C 77 176.410 176.410 176.957 -0.547 17849 7348 1 11 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.249 -0.207 17849 7349 1 11 . 1 1 77 77 LYS CB C 77 33.157 33.157 33.713 -0.556 17849 7350 1 11 . 1 1 78 78 SER N N 78 116.257 116.257 113.703 2.554 17849 7351 1 11 . 1 1 78 78 SER HA H 78 4.422 4.422 4.087 0.335 17849 7352 1 11 . 1 1 78 78 SER C C 78 174.436 174.436 174.272 0.164 17849 7353 1 11 . 1 1 78 78 SER CA C 78 58.366 58.366 60.749 -2.383 17849 7354 1 11 . 1 1 78 78 SER CB C 78 63.855 63.855 63.144 0.711 17849 7355 1 11 . 1 1 78 78 SER H H 78 8.332 8.332 8.538 -0.206 17849 7356 1 11 . 1 1 79 79 ASN N N 79 120.267 120.267 117.677 2.590 17849 7357 1 11 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.729 -0.002 17849 7358 1 11 . 1 1 79 79 ASN C C 79 174.966 174.966 174.403 0.563 17849 7359 1 11 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.678 0.788 17849 7360 1 11 . 1 1 79 79 ASN CB C 79 38.869 38.869 39.027 -0.158 17849 7361 1 11 . 1 1 79 79 ASN H H 79 8.548 8.548 7.721 0.827 17849 7362 1 11 . 1 1 80 80 ASP N N 80 119.659 119.659 128.620 -8.961 17849 7363 1 11 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.685 -0.068 17849 7364 1 11 . 1 1 80 80 ASP C C 80 176.412 176.412 175.254 1.158 17849 7365 1 11 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.421 0.289 17849 7366 1 11 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.862 1.361 17849 7367 1 11 . 1 1 80 80 ASP H H 80 8.325 8.325 8.717 -0.392 17849 7368 1 11 . 1 1 81 81 SER N N 81 115.425 115.425 114.291 1.134 17849 7369 1 11 . 1 1 81 81 SER HA H 81 4.414 4.414 4.529 -0.115 17849 7370 1 11 . 1 1 81 81 SER C C 81 174.733 174.733 172.773 1.960 17849 7371 1 11 . 1 1 81 81 SER CA C 81 59.183 59.183 57.989 1.194 17849 7372 1 11 . 1 1 81 81 SER CB C 81 63.784 63.784 65.737 -1.952 17849 7373 1 11 . 1 1 81 81 SER H H 81 8.256 8.256 8.029 0.227 17849 7374 1 11 . 1 1 82 82 GLU N N 82 121.456 121.456 120.655 0.801 17849 7375 1 11 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.182 0.141 17849 7376 1 11 . 1 1 82 82 GLU C C 82 176.385 176.385 175.624 0.761 17849 7377 1 11 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.941 -0.214 17849 7378 1 11 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.622 -0.750 17849 7379 1 11 . 1 1 82 82 GLU H H 82 8.375 8.375 8.638 -0.263 17849 7380 1 11 . 1 1 83 83 GLN N N 83 120.069 120.069 119.214 0.855 17849 7381 1 11 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.517 -0.212 17849 7382 1 11 . 1 1 83 83 GLN C C 83 176.054 176.054 176.488 -0.434 17849 7383 1 11 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.182 0.965 17849 7384 1 11 . 1 1 83 83 GLN CB C 83 29.303 29.303 31.569 -2.266 17849 7385 1 11 . 1 1 83 83 GLN H H 83 8.233 8.233 8.488 -0.255 17849 7386 1 11 . 1 1 84 84 GLU N N 84 122.390 122.390 119.691 2.699 17849 7387 1 11 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.527 -0.236 17849 7388 1 11 . 1 1 84 84 GLU C C 84 177.528 177.528 176.842 0.686 17849 7389 1 11 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.495 -1.298 17849 7390 1 11 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.387 0.726 17849 7391 1 11 . 1 1 84 84 GLU H H 84 8.567 8.567 8.714 -0.147 17849 7392 1 11 . 1 1 85 85 LEU N N 85 122.788 122.788 120.447 2.341 17849 7393 1 11 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.336 -0.141 17849 7394 1 11 . 1 1 85 85 LEU CA C 85 56.517 56.517 56.619 -0.102 17849 7395 1 11 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.314 1.102 17849 7396 1 11 . 1 1 85 85 LEU H H 85 8.434 8.434 7.518 0.916 17849 7397 1 11 . 1 1 86 86 LEU N N 86 119.558 119.558 121.222 -1.664 17849 7398 1 11 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.012 0.145 17849 7399 1 11 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.222 -2.103 17849 7400 1 11 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.120 0.438 17849 7401 1 11 . 1 1 86 86 LEU H H 86 8.037 8.037 8.265 -0.228 17849 7402 1 11 . 1 1 87 87 GLU N N 87 121.323 121.323 116.458 4.865 17849 7403 1 11 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.951 -0.028 17849 7404 1 11 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.339 0.208 17849 7405 1 11 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.224 0.119 17849 7406 1 11 . 1 1 87 87 GLU H H 87 8.192 8.192 7.764 0.428 17849 7407 1 11 . 1 1 88 88 ALA N N 88 119.942 119.942 120.569 -0.627 17849 7408 1 11 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.417 -0.341 17849 7409 1 11 . 1 1 88 88 ALA C C 88 178.281 178.281 178.956 -0.675 17849 7410 1 11 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.858 0.623 17849 7411 1 11 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.114 -0.304 17849 7412 1 11 . 1 1 88 88 ALA H H 88 8.363 8.363 7.441 0.922 17849 7413 1 11 . 1 1 89 89 PHE N N 89 111.807 111.807 120.204 -8.397 17849 7414 1 11 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.531 -0.042 17849 7415 1 11 . 1 1 89 89 PHE C C 89 176.632 176.632 176.502 0.130 17849 7416 1 11 . 1 1 89 89 PHE CA C 89 58.478 58.478 59.063 -0.585 17849 7417 1 11 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.338 -0.696 17849 7418 1 11 . 1 1 89 89 PHE H H 89 7.855 7.855 8.514 -0.659 17849 7419 1 11 . 1 1 90 90 LYS N N 90 120.375 120.375 121.848 -1.473 17849 7420 1 11 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.150 -0.152 17849 7421 1 11 . 1 1 90 90 LYS C C 90 178.490 178.490 177.881 0.609 17849 7422 1 11 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.921 1.073 17849 7423 1 11 . 1 1 90 90 LYS CB C 90 31.914 31.914 31.771 0.143 17849 7424 1 11 . 1 1 90 90 LYS H H 90 7.957 7.957 8.275 -0.318 17849 7425 1 11 . 1 1 91 91 VAL N N 91 116.643 116.643 121.084 -4.441 17849 7426 1 11 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.678 0.196 17849 7427 1 11 . 1 1 91 91 VAL C C 91 175.413 175.413 176.060 -0.647 17849 7428 1 11 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.455 -1.762 17849 7429 1 11 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.289 -0.055 17849 7430 1 11 . 1 1 91 91 VAL H H 91 7.389 7.389 7.406 -0.017 17849 7431 1 11 . 1 1 92 92 PHE N N 92 115.769 115.769 113.639 2.130 17849 7432 1 11 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.326 0.194 17849 7433 1 11 . 1 1 92 92 PHE CA C 92 59.175 59.175 59.715 -0.540 17849 7434 1 11 . 1 1 92 92 PHE CB C 92 40.234 40.234 39.303 0.931 17849 7435 1 11 . 1 1 92 92 PHE H H 92 7.534 7.534 7.713 -0.179 17849 7436 1 11 . 1 1 93 93 ASP N N 93 115.397 115.397 120.162 -4.765 17849 7437 1 11 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.056 -0.198 17849 7438 1 11 . 1 1 93 93 ASP C C 93 177.421 177.421 176.221 1.200 17849 7439 1 11 . 1 1 93 93 ASP CA C 93 52.466 52.466 54.138 -1.672 17849 7440 1 11 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.657 -1.677 17849 7441 1 11 . 1 1 93 93 ASP H H 93 7.543 7.543 8.099 -0.556 17849 7442 1 11 . 1 1 94 94 LYS N N 94 125.591 125.591 123.605 1.986 17849 7443 1 11 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.361 -0.282 17849 7444 1 11 . 1 1 94 94 LYS C C 94 177.856 177.856 177.129 0.727 17849 7445 1 11 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.472 1.458 17849 7446 1 11 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.869 -0.475 17849 7447 1 11 . 1 1 94 94 LYS H H 94 7.873 7.873 8.271 -0.398 17849 7448 1 11 . 1 1 95 95 ASN N N 95 112.796 112.796 115.260 -2.464 17849 7449 1 11 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.715 0.082 17849 7450 1 11 . 1 1 95 95 ASN C C 95 176.619 176.619 175.729 0.890 17849 7451 1 11 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.547 -0.637 17849 7452 1 11 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.914 -1.638 17849 7453 1 11 . 1 1 95 95 ASN H H 95 8.272 8.272 7.750 0.522 17849 7454 1 11 . 1 1 96 96 GLY N N 96 109.132 109.132 109.098 0.034 17849 7455 1 11 . 1 1 96 96 GLY C C 96 174.799 174.799 174.393 0.406 17849 7456 1 11 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.435 1.136 17849 7457 1 11 . 1 1 96 96 GLY H H 96 7.654 7.654 7.738 -0.084 17849 7458 1 11 . 1 1 97 97 ASP N N 97 118.796 118.796 121.538 -2.742 17849 7459 1 11 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.661 -0.131 17849 7460 1 11 . 1 1 97 97 ASP C C 97 177.137 177.137 177.636 -0.499 17849 7461 1 11 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.873 -0.481 17849 7462 1 11 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.842 -1.453 17849 7463 1 11 . 1 1 97 97 ASP H H 97 8.090 8.090 8.706 -0.616 17849 7464 1 11 . 1 1 98 98 GLY N N 98 112.962 112.962 107.477 5.485 17849 7465 1 11 . 1 1 98 98 GLY C C 98 172.142 172.142 173.559 -1.417 17849 7466 1 11 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.731 -0.007 17849 7467 1 11 . 1 1 98 98 GLY H H 98 10.329 10.329 8.602 1.727 17849 7468 1 11 . 1 1 99 99 LEU N N 99 119.691 119.691 119.464 0.227 17849 7469 1 11 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.694 0.068 17849 7470 1 11 . 1 1 99 99 LEU C C 99 176.162 176.162 174.513 1.649 17849 7471 1 11 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.729 -0.905 17849 7472 1 11 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.752 -0.970 17849 7473 1 11 . 1 1 99 99 LEU H H 99 8.000 8.000 8.244 -0.244 17849 7474 1 11 . 1 1 100 100 ILE N N 100 127.464 127.464 119.168 8.296 17849 7475 1 11 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.873 -0.199 17849 7476 1 11 . 1 1 100 100 ILE C C 100 175.006 175.006 174.565 0.441 17849 7477 1 11 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.929 0.490 17849 7478 1 11 . 1 1 100 100 ILE CB C 100 37.811 37.811 41.175 -3.364 17849 7479 1 11 . 1 1 100 100 ILE H H 100 9.491 9.491 8.234 1.257 17849 7480 1 11 . 1 1 101 101 SER N N 101 123.104 123.104 120.167 2.937 17849 7481 1 11 . 1 1 101 101 SER HA H 101 4.770 4.770 4.845 -0.075 17849 7482 1 11 . 1 1 101 101 SER C C 101 174.847 174.847 175.269 -0.422 17849 7483 1 11 . 1 1 101 101 SER CA C 101 55.854 55.854 56.580 -0.726 17849 7484 1 11 . 1 1 101 101 SER CB C 101 65.994 65.994 65.202 0.792 17849 7485 1 11 . 1 1 101 101 SER H H 101 9.058 9.058 8.421 0.637 17849 7486 1 11 . 1 1 102 102 ALA N N 102 124.316 124.316 123.695 0.621 17849 7487 1 11 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.456 -0.840 17849 7488 1 11 . 1 1 102 102 ALA C C 102 179.388 179.388 178.871 0.517 17849 7489 1 11 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.472 0.252 17849 7490 1 11 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.547 -1.232 17849 7491 1 11 . 1 1 102 102 ALA H H 102 8.587 8.587 8.757 -0.170 17849 7492 1 11 . 1 1 103 103 ALA N N 103 118.346 118.346 121.567 -3.221 17849 7493 1 11 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.169 -0.169 17849 7494 1 11 . 1 1 103 103 ALA C C 103 181.188 181.188 179.797 1.391 17849 7495 1 11 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.621 0.437 17849 7496 1 11 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.323 0.066 17849 7497 1 11 . 1 1 103 103 ALA H H 103 8.266 8.266 8.337 -0.071 17849 7498 1 11 . 1 1 104 104 GLU N N 104 120.568 120.568 119.838 0.730 17849 7499 1 11 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.121 -0.065 17849 7500 1 11 . 1 1 104 104 GLU C C 104 178.762 178.762 178.986 -0.224 17849 7501 1 11 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.641 0.327 17849 7502 1 11 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.413 -0.502 17849 7503 1 11 . 1 1 104 104 GLU H H 104 7.928 7.928 8.444 -0.516 17849 7504 1 11 . 1 1 105 105 LEU N N 105 117.903 117.903 118.021 -0.118 17849 7505 1 11 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.206 -0.177 17849 7506 1 11 . 1 1 105 105 LEU C C 105 178.497 178.497 178.134 0.363 17849 7507 1 11 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.794 0.659 17849 7508 1 11 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.181 1.011 17849 7509 1 11 . 1 1 105 105 LEU H H 105 7.926 7.926 8.437 -0.511 17849 7510 1 11 . 1 1 106 106 LYS N N 106 115.836 115.836 117.114 -1.278 17849 7511 1 11 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.370 -0.571 17849 7512 1 11 . 1 1 106 106 LYS C C 106 179.102 179.102 178.247 0.855 17849 7513 1 11 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.131 2.041 17849 7514 1 11 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.590 0.020 17849 7515 1 11 . 1 1 106 106 LYS H H 106 8.337 8.337 7.744 0.593 17849 7516 1 11 . 1 1 107 107 HIS N N 107 119.620 119.620 119.381 0.239 17849 7517 1 11 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.626 -0.372 17849 7518 1 11 . 1 1 107 107 HIS C C 107 178.167 178.167 177.735 0.432 17849 7519 1 11 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.521 1.407 17849 7520 1 11 . 1 1 107 107 HIS CB C 107 30.584 30.584 31.097 -0.513 17849 7521 1 11 . 1 1 107 107 HIS H H 107 8.502 8.502 8.304 0.198 17849 7522 1 11 . 1 1 108 108 VAL N N 108 118.595 118.595 122.604 -4.009 17849 7523 1 11 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.864 -0.208 17849 7524 1 11 . 1 1 108 108 VAL C C 108 178.608 178.608 176.666 1.942 17849 7525 1 11 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.636 0.720 17849 7526 1 11 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.462 0.853 17849 7527 1 11 . 1 1 108 108 VAL H H 108 8.348 8.348 8.613 -0.265 17849 7528 1 11 . 1 1 109 109 LEU N N 109 116.755 116.755 113.507 3.248 17849 7529 1 11 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.120 0.024 17849 7530 1 11 . 1 1 109 109 LEU C C 109 179.267 179.267 178.068 1.199 17849 7531 1 11 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.333 0.121 17849 7532 1 11 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.317 0.786 17849 7533 1 11 . 1 1 109 109 LEU H H 109 8.251 8.251 7.939 0.312 17849 7534 1 11 . 1 1 110 110 THR N N 110 111.046 111.046 111.351 -0.305 17849 7535 1 11 . 1 1 110 110 THR HA H 110 4.256 4.256 4.379 -0.123 17849 7536 1 11 . 1 1 110 110 THR C C 110 175.897 175.897 175.322 0.575 17849 7537 1 11 . 1 1 110 110 THR CA C 110 64.465 64.465 63.587 0.878 17849 7538 1 11 . 1 1 110 110 THR CB C 110 69.431 69.431 69.123 0.308 17849 7539 1 11 . 1 1 110 110 THR H H 110 8.085 8.085 7.882 0.203 17849 7540 1 11 . 1 1 111 111 SER N N 111 117.074 117.074 118.840 -1.766 17849 7541 1 11 . 1 1 111 111 SER HA H 111 4.406 4.406 4.425 -0.019 17849 7542 1 11 . 1 1 111 111 SER C C 111 175.051 175.051 175.465 -0.414 17849 7543 1 11 . 1 1 111 111 SER CA C 111 59.968 59.968 60.907 -0.939 17849 7544 1 11 . 1 1 111 111 SER CB C 111 63.391 63.391 63.608 -0.217 17849 7545 1 11 . 1 1 111 111 SER H H 111 7.681 7.681 8.050 -0.369 17849 7546 1 11 . 1 1 112 112 ILE N N 112 119.783 119.783 114.079 5.704 17849 7547 1 11 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.817 0.274 17849 7548 1 11 . 1 1 112 112 ILE C C 112 177.040 177.040 175.248 1.792 17849 7549 1 11 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.849 0.674 17849 7550 1 11 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.215 3.129 17849 7551 1 11 . 1 1 112 112 ILE H H 112 7.444 7.444 7.550 -0.106 17849 7552 1 11 . 1 1 113 113 GLY N N 113 110.432 110.432 109.317 1.115 17849 7553 1 11 . 1 1 113 113 GLY C C 113 174.442 174.442 173.899 0.543 17849 7554 1 11 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.098 0.545 17849 7555 1 11 . 1 1 113 113 GLY H H 113 8.148 8.148 7.728 0.420 17849 7556 1 11 . 1 1 114 114 GLU N N 114 120.374 120.374 123.079 -2.705 17849 7557 1 11 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.238 0.028 17849 7558 1 11 . 1 1 114 114 GLU C C 114 176.556 176.556 177.640 -1.084 17849 7559 1 11 . 1 1 114 114 GLU CA C 114 56.773 56.773 57.337 -0.564 17849 7560 1 11 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.031 0.259 17849 7561 1 11 . 1 1 114 114 GLU H H 114 8.092 8.092 7.943 0.149 17849 7562 1 11 . 1 1 115 115 LYS N N 115 121.383 121.383 121.147 0.236 17849 7563 1 11 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.117 0.218 17849 7564 1 11 . 1 1 115 115 LYS C C 115 176.654 176.654 175.537 1.117 17849 7565 1 11 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.625 -0.326 17849 7566 1 11 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.032 1.806 17849 7567 1 11 . 1 1 115 115 LYS H H 115 8.221 8.221 8.203 0.018 17849 7568 1 11 . 1 1 116 116 LEU N N 116 123.146 123.146 123.475 -0.329 17849 7569 1 11 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.630 -0.209 17849 7570 1 11 . 1 1 116 116 LEU C C 116 177.677 177.677 176.164 1.513 17849 7571 1 11 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.562 0.758 17849 7572 1 11 . 1 1 116 116 LEU CB C 116 42.309 42.309 45.840 -3.531 17849 7573 1 11 . 1 1 116 116 LEU H H 116 8.265 8.265 8.025 0.240 17849 7574 1 11 . 1 1 117 117 THR N N 117 113.859 113.859 113.396 0.463 17849 7575 1 11 . 1 1 117 117 THR HA H 117 4.337 4.337 4.679 -0.342 17849 7576 1 11 . 1 1 117 117 THR C C 117 174.535 174.535 173.834 0.701 17849 7577 1 11 . 1 1 117 117 THR CA C 117 61.824 61.824 60.139 1.685 17849 7578 1 11 . 1 1 117 117 THR CB C 117 70.096 70.096 70.971 -0.875 17849 7579 1 11 . 1 1 117 117 THR H H 117 8.182 8.182 7.853 0.329 17849 7580 1 11 . 1 1 118 118 ASP N N 118 122.049 122.049 119.481 2.568 17849 7581 1 11 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.875 -0.342 17849 7582 1 11 . 1 1 118 118 ASP C C 118 176.728 176.728 177.060 -0.332 17849 7583 1 11 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.504 -0.286 17849 7584 1 11 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.357 -0.505 17849 7585 1 11 . 1 1 118 118 ASP H H 118 8.367 8.367 8.598 -0.231 17849 7586 1 11 . 1 1 119 119 ALA N N 119 123.432 123.432 120.671 2.761 17849 7587 1 11 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.589 -0.370 17849 7588 1 11 . 1 1 119 119 ALA C C 119 178.486 178.486 177.486 1.000 17849 7589 1 11 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.424 1.009 17849 7590 1 11 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.403 0.672 17849 7591 1 11 . 1 1 119 119 ALA H H 119 8.206 8.206 7.705 0.501 17849 7592 1 11 . 1 1 120 120 GLU N N 120 118.592 118.592 117.848 0.744 17849 7593 1 11 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.176 0.006 17849 7594 1 11 . 1 1 120 120 GLU C C 120 177.133 177.133 177.483 -0.350 17849 7595 1 11 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.362 -1.257 17849 7596 1 11 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.757 0.295 17849 7597 1 11 . 1 1 120 120 GLU H H 120 8.187 8.187 8.419 -0.232 17849 7598 1 11 . 1 1 121 121 LEU N N 121 121.427 121.427 115.170 6.257 17849 7599 1 11 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.606 -0.402 17849 7600 1 11 . 1 1 121 121 LEU C C 121 177.710 177.710 178.193 -0.483 17849 7601 1 11 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.220 0.532 17849 7602 1 11 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.689 -0.431 17849 7603 1 11 . 1 1 121 121 LEU H H 121 8.020 8.020 7.522 0.498 17849 7604 1 11 . 1 1 122 122 GLU N N 122 119.850 119.850 118.937 0.913 17849 7605 1 11 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.070 0.057 17849 7606 1 11 . 1 1 122 122 GLU C C 122 176.518 176.518 176.389 0.129 17849 7607 1 11 . 1 1 122 122 GLU CA C 122 57.014 57.014 58.522 -1.508 17849 7608 1 11 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.919 0.137 17849 7609 1 11 . 1 1 122 122 GLU H H 122 8.118 8.118 7.630 0.488 17849 7610 1 11 . 1 1 123 123 HIS N N 123 118.817 118.817 115.147 3.670 17849 7611 1 11 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.389 0.870 17849 7612 1 11 . 1 1 123 123 HIS H H 123 8.106 8.106 8.277 -0.171 17849 7613 1 12 . 1 1 2 2 SER HA H 2 4.507 4.507 4.568 -0.061 17849 7614 1 12 . 1 1 2 2 SER CA C 2 58.342 58.342 58.843 -0.501 17849 7615 1 12 . 1 1 2 2 SER CB C 2 63.883 63.883 63.392 0.491 17849 7616 1 12 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.858 -0.094 17849 7617 1 12 . 1 1 3 3 ASN C C 3 174.784 174.784 173.271 1.513 17849 7618 1 12 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.584 0.541 17849 7619 1 12 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.030 -1.137 17849 7620 1 12 . 1 1 4 4 LEU N N 4 121.466 121.466 123.152 -1.686 17849 7621 1 12 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.820 -0.120 17849 7622 1 12 . 1 1 4 4 LEU C C 4 177.665 177.665 177.178 0.487 17849 7623 1 12 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.632 -1.120 17849 7624 1 12 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.444 1.195 17849 7625 1 12 . 1 1 4 4 LEU H H 4 8.097 8.097 8.601 -0.504 17849 7626 1 12 . 1 1 5 5 THR N N 5 112.990 112.990 114.595 -1.605 17849 7627 1 12 . 1 1 5 5 THR HA H 5 4.481 4.481 4.608 -0.127 17849 7628 1 12 . 1 1 5 5 THR C C 5 175.474 175.474 175.381 0.093 17849 7629 1 12 . 1 1 5 5 THR CA C 5 60.528 60.528 59.794 0.734 17849 7630 1 12 . 1 1 5 5 THR CB C 5 71.244 71.244 71.543 -0.299 17849 7631 1 12 . 1 1 5 5 THR H H 5 8.778 8.778 7.735 1.043 17849 7632 1 12 . 1 1 6 6 GLU N N 6 120.343 120.343 120.303 0.040 17849 7633 1 12 . 1 1 6 6 GLU HA H 6 4.002 4.002 4.014 -0.012 17849 7634 1 12 . 1 1 6 6 GLU C C 6 179.568 179.568 178.574 0.994 17849 7635 1 12 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.021 0.155 17849 7636 1 12 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.220 0.005 17849 7637 1 12 . 1 1 6 6 GLU H H 6 9.078 9.078 8.951 0.127 17849 7638 1 12 . 1 1 7 7 GLU N N 7 119.544 119.544 119.968 -0.424 17849 7639 1 12 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.014 0.097 17849 7640 1 12 . 1 1 7 7 GLU C C 7 179.170 179.170 179.072 0.098 17849 7641 1 12 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.133 0.904 17849 7642 1 12 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.297 -0.180 17849 7643 1 12 . 1 1 7 7 GLU H H 7 8.820 8.820 7.709 1.111 17849 7644 1 12 . 1 1 8 8 GLN N N 8 119.824 119.824 118.708 1.116 17849 7645 1 12 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.838 0.326 17849 7646 1 12 . 1 1 8 8 GLN C C 8 179.652 179.652 178.560 1.092 17849 7647 1 12 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.513 0.239 17849 7648 1 12 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.836 0.903 17849 7649 1 12 . 1 1 8 8 GLN H H 8 7.812 7.812 7.442 0.370 17849 7650 1 12 . 1 1 9 9 ILE N N 9 120.978 120.978 120.990 -0.012 17849 7651 1 12 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.969 -0.117 17849 7652 1 12 . 1 1 9 9 ILE C C 9 177.899 177.899 178.111 -0.212 17849 7653 1 12 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.756 0.820 17849 7654 1 12 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.892 0.097 17849 7655 1 12 . 1 1 9 9 ILE H H 9 8.634 8.634 8.585 0.049 17849 7656 1 12 . 1 1 10 10 ALA N N 10 121.528 121.528 121.090 0.438 17849 7657 1 12 . 1 1 10 10 ALA HA H 10 4.106 4.106 3.887 0.219 17849 7658 1 12 . 1 1 10 10 ALA C C 10 180.886 180.886 179.796 1.090 17849 7659 1 12 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.556 -0.139 17849 7660 1 12 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.829 -0.054 17849 7661 1 12 . 1 1 10 10 ALA H H 10 8.142 8.142 7.930 0.212 17849 7662 1 12 . 1 1 11 11 GLU N N 11 118.807 118.807 118.618 0.189 17849 7663 1 12 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.016 0.198 17849 7664 1 12 . 1 1 11 11 GLU C C 11 180.292 180.292 179.354 0.938 17849 7665 1 12 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.213 0.151 17849 7666 1 12 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.241 0.547 17849 7667 1 12 . 1 1 11 11 GLU H H 11 7.810 7.810 7.491 0.319 17849 7668 1 12 . 1 1 12 12 PHE N N 12 118.671 118.671 118.048 0.623 17849 7669 1 12 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.345 0.302 17849 7670 1 12 . 1 1 12 12 PHE C C 12 179.032 179.032 178.432 0.600 17849 7671 1 12 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.858 3.302 17849 7672 1 12 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.821 1.194 17849 7673 1 12 . 1 1 12 12 PHE H H 12 8.432 8.432 8.472 -0.040 17849 7674 1 12 . 1 1 13 13 LYS N N 13 123.536 123.536 120.437 3.099 17849 7675 1 12 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.301 -0.461 17849 7676 1 12 . 1 1 13 13 LYS C C 13 179.114 179.114 178.852 0.262 17849 7677 1 12 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.547 -0.459 17849 7678 1 12 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.333 -0.681 17849 7679 1 12 . 1 1 13 13 LYS H H 13 8.981 8.981 8.530 0.451 17849 7680 1 12 . 1 1 14 14 GLU N N 14 119.691 119.691 119.447 0.244 17849 7681 1 12 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.046 0.051 17849 7682 1 12 . 1 1 14 14 GLU C C 14 179.285 179.285 179.128 0.157 17849 7683 1 12 . 1 1 14 14 GLU CA C 14 59.245 59.245 59.409 -0.164 17849 7684 1 12 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.306 0.335 17849 7685 1 12 . 1 1 14 14 GLU H H 14 7.737 7.737 7.887 -0.150 17849 7686 1 12 . 1 1 15 15 ALA N N 15 120.127 120.127 121.086 -0.959 17849 7687 1 12 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.178 -0.011 17849 7688 1 12 . 1 1 15 15 ALA C C 15 178.607 178.607 179.775 -1.168 17849 7689 1 12 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.043 0.016 17849 7690 1 12 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.492 0.639 17849 7691 1 12 . 1 1 15 15 ALA H H 15 7.747 7.747 8.201 -0.454 17849 7692 1 12 . 1 1 16 16 PHE N N 16 119.058 119.058 118.870 0.188 17849 7693 1 12 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.268 -0.961 17849 7694 1 12 . 1 1 16 16 PHE C C 16 177.236 177.236 177.034 0.202 17849 7695 1 12 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.276 0.429 17849 7696 1 12 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.313 0.439 17849 7697 1 12 . 1 1 16 16 PHE H H 16 8.908 8.908 7.873 1.035 17849 7698 1 12 . 1 1 17 17 ALA N N 17 119.352 119.352 123.388 -4.036 17849 7699 1 12 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.336 -0.213 17849 7700 1 12 . 1 1 17 17 ALA C C 17 178.680 178.680 179.375 -0.695 17849 7701 1 12 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.805 -0.266 17849 7702 1 12 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.150 0.065 17849 7703 1 12 . 1 1 17 17 ALA H H 17 7.877 7.877 8.166 -0.289 17849 7704 1 12 . 1 1 18 18 LEU N N 18 115.281 115.281 117.190 -1.909 17849 7705 1 12 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.942 0.113 17849 7706 1 12 . 1 1 18 18 LEU C C 18 178.393 178.393 178.583 -0.190 17849 7707 1 12 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.395 -0.753 17849 7708 1 12 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.514 0.229 17849 7709 1 12 . 1 1 18 18 LEU H H 18 7.369 7.369 8.237 -0.868 17849 7710 1 12 . 1 1 19 19 PHE N N 19 115.719 115.719 114.325 1.394 17849 7711 1 12 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.437 -0.228 17849 7712 1 12 . 1 1 19 19 PHE C C 19 176.704 176.704 175.538 1.166 17849 7713 1 12 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.647 -0.413 17849 7714 1 12 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.388 1.282 17849 7715 1 12 . 1 1 19 19 PHE H H 19 7.468 7.468 7.846 -0.378 17849 7716 1 12 . 1 1 20 20 ASP N N 20 117.209 117.209 119.041 -1.832 17849 7717 1 12 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.887 -0.426 17849 7718 1 12 . 1 1 20 20 ASP C C 20 176.557 176.557 176.334 0.223 17849 7719 1 12 . 1 1 20 20 ASP CA C 20 52.245 52.245 52.184 0.061 17849 7720 1 12 . 1 1 20 20 ASP CB C 20 39.147 39.147 40.841 -1.694 17849 7721 1 12 . 1 1 20 20 ASP H H 20 7.488 7.488 8.057 -0.569 17849 7722 1 12 . 1 1 21 21 LYS N N 21 124.086 124.086 125.695 -1.609 17849 7723 1 12 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.140 -0.142 17849 7724 1 12 . 1 1 21 21 LYS C C 21 177.844 177.844 177.235 0.609 17849 7725 1 12 . 1 1 21 21 LYS CA C 21 58.308 58.308 59.166 -0.858 17849 7726 1 12 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.244 0.208 17849 7727 1 12 . 1 1 21 21 LYS H H 21 7.376 7.376 8.534 -1.158 17849 7728 1 12 . 1 1 22 22 ASP N N 22 114.097 114.097 116.167 -2.070 17849 7729 1 12 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.478 0.126 17849 7730 1 12 . 1 1 22 22 ASP C C 22 176.349 176.349 176.280 0.069 17849 7731 1 12 . 1 1 22 22 ASP CA C 22 52.703 52.703 54.434 -1.731 17849 7732 1 12 . 1 1 22 22 ASP CB C 22 39.355 39.355 39.776 -0.421 17849 7733 1 12 . 1 1 22 22 ASP H H 22 8.113 8.113 8.433 -0.320 17849 7734 1 12 . 1 1 23 23 ASN N N 23 115.562 115.562 115.951 -0.389 17849 7735 1 12 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.661 -0.266 17849 7736 1 12 . 1 1 23 23 ASN C C 23 174.864 174.864 175.033 -0.169 17849 7737 1 12 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.837 0.563 17849 7738 1 12 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.311 0.613 17849 7739 1 12 . 1 1 23 23 ASN H H 23 8.048 8.048 8.385 -0.337 17849 7740 1 12 . 1 1 24 24 ASN N N 24 117.615 117.615 116.395 1.220 17849 7741 1 12 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.556 0.279 17849 7742 1 12 . 1 1 24 24 ASN C C 24 177.445 177.445 176.254 1.191 17849 7743 1 12 . 1 1 24 24 ASN CA C 24 52.415 52.415 54.854 -2.439 17849 7744 1 12 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.019 -0.538 17849 7745 1 12 . 1 1 24 24 ASN H H 24 8.517 8.517 8.342 0.175 17849 7746 1 12 . 1 1 25 25 GLY N N 25 114.308 114.308 105.251 9.057 17849 7747 1 12 . 1 1 25 25 GLY C C 25 173.105 173.105 173.415 -0.310 17849 7748 1 12 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.076 0.404 17849 7749 1 12 . 1 1 25 25 GLY H H 25 10.729 10.729 8.352 2.377 17849 7750 1 12 . 1 1 26 26 SER N N 26 113.267 113.267 114.065 -0.798 17849 7751 1 12 . 1 1 26 26 SER HA H 26 5.330 5.330 5.677 -0.347 17849 7752 1 12 . 1 1 26 26 SER C C 26 172.610 172.610 173.145 -0.535 17849 7753 1 12 . 1 1 26 26 SER CA C 26 57.375 57.375 56.505 0.870 17849 7754 1 12 . 1 1 26 26 SER CB C 26 66.504 66.504 66.723 -0.219 17849 7755 1 12 . 1 1 26 26 SER H H 26 7.773 7.773 7.718 0.055 17849 7756 1 12 . 1 1 27 27 ILE N N 27 127.124 127.124 120.931 6.193 17849 7757 1 12 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.432 0.456 17849 7758 1 12 . 1 1 27 27 ILE C C 27 175.876 175.876 175.389 0.487 17849 7759 1 12 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.377 -0.341 17849 7760 1 12 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.205 -2.309 17849 7761 1 12 . 1 1 27 27 ILE H H 27 9.848 9.848 8.124 1.724 17849 7762 1 12 . 1 1 28 28 SER N N 28 124.825 124.825 120.459 4.366 17849 7763 1 12 . 1 1 28 28 SER HA H 28 4.771 4.771 5.089 -0.318 17849 7764 1 12 . 1 1 28 28 SER C C 28 175.395 175.395 175.143 0.252 17849 7765 1 12 . 1 1 28 28 SER CA C 28 56.680 56.680 56.340 0.340 17849 7766 1 12 . 1 1 28 28 SER CB C 28 66.154 66.154 65.803 0.351 17849 7767 1 12 . 1 1 28 28 SER H H 28 9.347 9.347 8.266 1.081 17849 7768 1 12 . 1 1 29 29 SER N N 29 116.882 116.882 119.012 -2.130 17849 7769 1 12 . 1 1 29 29 SER HA H 29 4.144 4.144 4.221 -0.077 17849 7770 1 12 . 1 1 29 29 SER C C 29 176.516 176.516 176.327 0.189 17849 7771 1 12 . 1 1 29 29 SER CA C 29 62.634 62.634 60.938 1.696 17849 7772 1 12 . 1 1 29 29 SER CB C 29 62.227 62.227 62.642 -0.415 17849 7773 1 12 . 1 1 29 29 SER H H 29 9.604 9.604 9.078 0.526 17849 7774 1 12 . 1 1 30 30 SER N N 30 116.141 116.141 117.285 -1.144 17849 7775 1 12 . 1 1 30 30 SER HA H 30 4.327 4.327 4.131 0.196 17849 7776 1 12 . 1 1 30 30 SER C C 30 177.965 177.965 175.891 2.074 17849 7777 1 12 . 1 1 30 30 SER CA C 30 61.341 61.341 61.559 -0.218 17849 7778 1 12 . 1 1 30 30 SER CB C 30 62.429 62.429 63.144 -0.715 17849 7779 1 12 . 1 1 30 30 SER H H 30 8.184 8.184 8.581 -0.397 17849 7780 1 12 . 1 1 31 31 GLU N N 31 124.933 124.933 120.665 4.268 17849 7781 1 12 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.120 -0.029 17849 7782 1 12 . 1 1 31 31 GLU C C 31 179.355 179.355 178.602 0.753 17849 7783 1 12 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.929 0.513 17849 7784 1 12 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.651 -0.316 17849 7785 1 12 . 1 1 31 31 GLU H H 31 7.973 7.973 7.858 0.115 17849 7786 1 12 . 1 1 32 32 LEU N N 32 120.778 120.778 121.023 -0.245 17849 7787 1 12 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.252 -0.085 17849 7788 1 12 . 1 1 32 32 LEU C C 32 178.364 178.364 178.214 0.150 17849 7789 1 12 . 1 1 32 32 LEU CA C 32 58.347 58.347 58.017 0.330 17849 7790 1 12 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.957 0.154 17849 7791 1 12 . 1 1 32 32 LEU H H 32 8.616 8.616 8.300 0.316 17849 7792 1 12 . 1 1 33 33 ALA N N 33 120.423 120.423 120.347 0.076 17849 7793 1 12 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.944 -0.068 17849 7794 1 12 . 1 1 33 33 ALA C C 33 179.394 179.394 179.446 -0.052 17849 7795 1 12 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.579 0.209 17849 7796 1 12 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.896 0.622 17849 7797 1 12 . 1 1 33 33 ALA H H 33 8.688 8.688 8.434 0.254 17849 7798 1 12 . 1 1 34 34 THR N N 34 114.299 114.299 114.553 -0.254 17849 7799 1 12 . 1 1 34 34 THR HA H 34 3.902 3.902 3.924 -0.022 17849 7800 1 12 . 1 1 34 34 THR C C 34 177.161 177.161 176.024 1.137 17849 7801 1 12 . 1 1 34 34 THR CA C 34 67.173 67.173 67.745 -0.572 17849 7802 1 12 . 1 1 34 34 THR CB C 34 68.712 68.712 68.713 -0.001 17849 7803 1 12 . 1 1 34 34 THR H H 34 8.219 8.219 7.767 0.452 17849 7804 1 12 . 1 1 35 35 VAL N N 35 122.638 122.638 120.939 1.699 17849 7805 1 12 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.710 -0.126 17849 7806 1 12 . 1 1 35 35 VAL C C 35 178.403 178.403 177.692 0.711 17849 7807 1 12 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.492 0.392 17849 7808 1 12 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.495 -0.134 17849 7809 1 12 . 1 1 35 35 VAL H H 35 7.791 7.791 7.822 -0.031 17849 7810 1 12 . 1 1 36 36 MET N N 36 117.307 117.307 119.468 -2.161 17849 7811 1 12 . 1 1 36 36 MET HA H 36 3.906 3.906 4.055 -0.149 17849 7812 1 12 . 1 1 36 36 MET C C 36 178.456 178.456 178.312 0.144 17849 7813 1 12 . 1 1 36 36 MET CA C 36 59.787 59.787 58.944 0.843 17849 7814 1 12 . 1 1 36 36 MET CB C 36 32.548 32.548 31.711 0.837 17849 7815 1 12 . 1 1 36 36 MET H H 36 8.308 8.308 8.405 -0.097 17849 7816 1 12 . 1 1 37 37 ARG N N 37 118.384 118.384 116.527 1.857 17849 7817 1 12 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.156 0.601 17849 7818 1 12 . 1 1 37 37 ARG C C 37 181.371 181.371 178.634 2.737 17849 7819 1 12 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.591 0.296 17849 7820 1 12 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.302 0.796 17849 7821 1 12 . 1 1 37 37 ARG H H 37 8.634 8.634 8.133 0.501 17849 7822 1 12 . 1 1 38 38 SER N N 38 118.916 118.916 113.667 5.249 17849 7823 1 12 . 1 1 38 38 SER HA H 38 4.339 4.339 4.295 0.044 17849 7824 1 12 . 1 1 38 38 SER C C 38 174.705 174.705 176.281 -1.576 17849 7825 1 12 . 1 1 38 38 SER CA C 38 61.793 61.793 60.471 1.322 17849 7826 1 12 . 1 1 38 38 SER CB C 38 62.713 62.713 63.110 -0.397 17849 7827 1 12 . 1 1 38 38 SER H H 38 8.226 8.226 7.860 0.366 17849 7828 1 12 . 1 1 39 39 LEU N N 39 119.948 119.948 120.242 -0.294 17849 7829 1 12 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.925 0.371 17849 7830 1 12 . 1 1 39 39 LEU C C 39 176.723 176.723 177.763 -1.040 17849 7831 1 12 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.595 -3.035 17849 7832 1 12 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.450 -0.461 17849 7833 1 12 . 1 1 39 39 LEU H H 39 7.331 7.331 7.596 -0.265 17849 7834 1 12 . 1 1 40 40 GLY N N 40 105.997 105.997 102.366 3.631 17849 7835 1 12 . 1 1 40 40 GLY C C 40 174.405 174.405 173.402 1.003 17849 7836 1 12 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.999 0.189 17849 7837 1 12 . 1 1 40 40 GLY H H 40 7.889 7.889 7.729 0.160 17849 7838 1 12 . 1 1 41 41 LEU N N 41 120.071 120.071 118.257 1.814 17849 7839 1 12 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.839 -0.353 17849 7840 1 12 . 1 1 41 41 LEU C C 41 175.829 175.829 174.890 0.939 17849 7841 1 12 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.680 0.507 17849 7842 1 12 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.843 -1.270 17849 7843 1 12 . 1 1 41 41 LEU H H 41 7.592 7.592 7.592 -0.000 17849 7844 1 12 . 1 1 42 42 SER N N 42 112.869 112.869 115.398 -2.529 17849 7845 1 12 . 1 1 42 42 SER HA H 42 4.797 4.797 4.806 -0.009 17849 7846 1 12 . 1 1 42 42 SER CA C 42 54.960 54.960 55.813 -0.853 17849 7847 1 12 . 1 1 42 42 SER CB C 42 63.177 63.177 64.249 -1.072 17849 7848 1 12 . 1 1 42 42 SER H H 42 8.761 8.761 8.405 0.356 17849 7849 1 12 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.544 0.164 17849 7850 1 12 . 1 1 43 43 PRO C C 43 177.533 177.533 176.023 1.510 17849 7851 1 12 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.451 -0.276 17849 7852 1 12 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.199 -0.325 17849 7853 1 12 . 1 1 44 44 SER N N 44 119.089 119.089 118.279 0.810 17849 7854 1 12 . 1 1 44 44 SER HA H 44 4.574 4.574 4.435 0.139 17849 7855 1 12 . 1 1 44 44 SER C C 44 174.803 174.803 175.866 -1.063 17849 7856 1 12 . 1 1 44 44 SER CA C 44 56.786 56.786 58.421 -1.635 17849 7857 1 12 . 1 1 44 44 SER CB C 44 65.387 65.387 63.991 1.396 17849 7858 1 12 . 1 1 44 44 SER H H 44 9.014 9.014 8.384 0.630 17849 7859 1 12 . 1 1 45 45 GLU N N 45 121.343 121.343 126.186 -4.843 17849 7860 1 12 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.883 0.061 17849 7861 1 12 . 1 1 45 45 GLU C C 45 178.978 178.978 178.525 0.453 17849 7862 1 12 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.251 -0.145 17849 7863 1 12 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.859 -0.556 17849 7864 1 12 . 1 1 45 45 GLU H H 45 8.925 8.925 8.987 -0.062 17849 7865 1 12 . 1 1 46 46 ALA N N 46 120.822 120.822 120.099 0.723 17849 7866 1 12 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.175 -0.029 17849 7867 1 12 . 1 1 46 46 ALA C C 46 179.782 179.782 179.941 -0.159 17849 7868 1 12 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.684 0.402 17849 7869 1 12 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.817 0.439 17849 7870 1 12 . 1 1 46 46 ALA H H 46 8.339 8.339 8.453 -0.114 17849 7871 1 12 . 1 1 47 47 GLU N N 47 118.432 118.432 118.900 -0.468 17849 7872 1 12 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.220 -0.146 17849 7873 1 12 . 1 1 47 47 GLU C C 47 180.222 180.222 178.764 1.458 17849 7874 1 12 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.690 0.519 17849 7875 1 12 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.839 0.046 17849 7876 1 12 . 1 1 47 47 GLU H H 47 7.759 7.759 8.025 -0.266 17849 7877 1 12 . 1 1 48 48 VAL N N 48 120.023 120.023 120.357 -0.334 17849 7878 1 12 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.702 -0.204 17849 7879 1 12 . 1 1 48 48 VAL C C 48 177.380 177.380 177.755 -0.375 17849 7880 1 12 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.396 0.862 17849 7881 1 12 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.641 -0.280 17849 7882 1 12 . 1 1 48 48 VAL H H 48 8.174 8.174 8.302 -0.128 17849 7883 1 12 . 1 1 49 49 ASN N N 49 118.475 118.475 118.336 0.139 17849 7884 1 12 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.375 0.030 17849 7885 1 12 . 1 1 49 49 ASN C C 49 177.352 177.352 176.876 0.476 17849 7886 1 12 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.633 0.076 17849 7887 1 12 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.903 0.367 17849 7888 1 12 . 1 1 49 49 ASN H H 49 8.208 8.208 8.580 -0.372 17849 7889 1 12 . 1 1 50 50 ASP N N 50 120.147 120.147 119.881 0.266 17849 7890 1 12 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.434 0.048 17849 7891 1 12 . 1 1 50 50 ASP C C 50 178.973 178.973 178.176 0.797 17849 7892 1 12 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.992 0.448 17849 7893 1 12 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.996 -0.816 17849 7894 1 12 . 1 1 50 50 ASP H H 50 8.400 8.400 7.713 0.687 17849 7895 1 12 . 1 1 51 51 LEU N N 51 121.706 121.706 118.104 3.602 17849 7896 1 12 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.260 -0.152 17849 7897 1 12 . 1 1 51 51 LEU C C 51 178.796 178.796 178.666 0.130 17849 7898 1 12 . 1 1 51 51 LEU CA C 51 58.132 58.132 56.571 1.561 17849 7899 1 12 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.125 -0.235 17849 7900 1 12 . 1 1 51 51 LEU H H 51 7.830 7.830 7.708 0.122 17849 7901 1 12 . 1 1 52 52 MET N N 52 117.267 117.267 115.857 1.410 17849 7902 1 12 . 1 1 52 52 MET HA H 52 4.145 4.145 4.409 -0.264 17849 7903 1 12 . 1 1 52 52 MET C C 52 178.260 178.260 177.774 0.486 17849 7904 1 12 . 1 1 52 52 MET CA C 52 57.418 57.418 56.324 1.094 17849 7905 1 12 . 1 1 52 52 MET CB C 52 30.089 30.089 32.104 -2.015 17849 7906 1 12 . 1 1 52 52 MET H H 52 8.601 8.601 8.376 0.225 17849 7907 1 12 . 1 1 53 53 ASN N N 53 115.368 115.368 118.010 -2.642 17849 7908 1 12 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.625 -0.052 17849 7909 1 12 . 1 1 53 53 ASN C C 53 176.890 176.890 175.771 1.119 17849 7910 1 12 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.765 -0.433 17849 7911 1 12 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.809 -0.655 17849 7912 1 12 . 1 1 53 53 ASN H H 53 8.239 8.239 8.183 0.056 17849 7913 1 12 . 1 1 54 54 GLU N N 54 117.437 117.437 116.531 0.906 17849 7914 1 12 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.135 0.115 17849 7915 1 12 . 1 1 54 54 GLU C C 54 177.019 177.019 177.743 -0.724 17849 7916 1 12 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.747 -1.060 17849 7917 1 12 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.648 0.445 17849 7918 1 12 . 1 1 54 54 GLU H H 54 7.625 7.625 7.799 -0.174 17849 7919 1 12 . 1 1 55 55 ILE N N 55 117.098 117.098 117.728 -0.630 17849 7920 1 12 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.992 -0.091 17849 7921 1 12 . 1 1 55 55 ILE C C 55 176.027 176.027 175.470 0.557 17849 7922 1 12 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.153 0.484 17849 7923 1 12 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.379 1.657 17849 7924 1 12 . 1 1 55 55 ILE H H 55 7.496 7.496 7.432 0.064 17849 7925 1 12 . 1 1 56 56 ASP N N 56 118.367 118.367 120.661 -2.294 17849 7926 1 12 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.716 -0.299 17849 7927 1 12 . 1 1 56 56 ASP C C 56 175.761 175.761 176.388 -0.627 17849 7928 1 12 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.804 -0.397 17849 7929 1 12 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.038 0.195 17849 7930 1 12 . 1 1 56 56 ASP H H 56 8.329 8.329 7.617 0.712 17849 7931 1 12 . 1 1 57 57 VAL N N 57 126.262 126.262 123.546 2.716 17849 7932 1 12 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.990 0.016 17849 7933 1 12 . 1 1 57 57 VAL C C 57 177.253 177.253 176.628 0.625 17849 7934 1 12 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.431 0.794 17849 7935 1 12 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.317 0.869 17849 7936 1 12 . 1 1 57 57 VAL H H 57 8.116 8.116 8.425 -0.309 17849 7937 1 12 . 1 1 58 58 ASP N N 58 116.896 116.896 118.387 -1.491 17849 7938 1 12 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.637 -0.065 17849 7939 1 12 . 1 1 58 58 ASP C C 58 177.670 177.670 176.854 0.816 17849 7940 1 12 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.995 -0.189 17849 7941 1 12 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.457 -1.464 17849 7942 1 12 . 1 1 58 58 ASP H H 58 8.356 8.356 8.089 0.267 17849 7943 1 12 . 1 1 59 59 GLY N N 59 107.989 107.989 108.959 -0.970 17849 7944 1 12 . 1 1 59 59 GLY C C 59 174.661 174.661 174.977 -0.316 17849 7945 1 12 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.206 1.873 17849 7946 1 12 . 1 1 59 59 GLY H H 59 7.622 7.622 8.432 -0.810 17849 7947 1 12 . 1 1 60 60 ASN N N 60 118.703 118.703 117.807 0.896 17849 7948 1 12 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.670 -0.128 17849 7949 1 12 . 1 1 60 60 ASN C C 60 175.787 175.787 174.676 1.111 17849 7950 1 12 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.059 0.224 17849 7951 1 12 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.725 -1.541 17849 7952 1 12 . 1 1 60 60 ASN H H 60 8.096 8.096 8.593 -0.497 17849 7953 1 12 . 1 1 61 61 HIS N N 61 117.475 117.475 113.518 3.957 17849 7954 1 12 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.269 -0.401 17849 7955 1 12 . 1 1 61 61 HIS C C 61 172.407 172.407 172.721 -0.314 17849 7956 1 12 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.042 -0.614 17849 7957 1 12 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.119 0.854 17849 7958 1 12 . 1 1 61 61 HIS H H 61 9.998 9.998 8.631 1.367 17849 7959 1 12 . 1 1 62 62 GLN N N 62 112.629 112.629 116.442 -3.813 17849 7960 1 12 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.050 -0.241 17849 7961 1 12 . 1 1 62 62 GLN C C 62 174.654 174.654 174.674 -0.020 17849 7962 1 12 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.349 -0.541 17849 7963 1 12 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.608 -0.483 17849 7964 1 12 . 1 1 62 62 GLN H H 62 7.541 7.541 8.264 -0.723 17849 7965 1 12 . 1 1 63 63 ILE N N 63 123.800 123.800 125.933 -2.133 17849 7966 1 12 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.454 0.592 17849 7967 1 12 . 1 1 63 63 ILE C C 63 176.626 176.626 175.633 0.993 17849 7968 1 12 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.301 1.592 17849 7969 1 12 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.287 1.893 17849 7970 1 12 . 1 1 63 63 ILE H H 63 9.312 9.312 8.638 0.674 17849 7971 1 12 . 1 1 64 64 GLU N N 64 128.941 128.941 126.048 2.893 17849 7972 1 12 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.743 0.233 17849 7973 1 12 . 1 1 64 64 GLU C C 64 178.001 178.001 177.356 0.645 17849 7974 1 12 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.777 2.943 17849 7975 1 12 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.334 -1.105 17849 7976 1 12 . 1 1 64 64 GLU H H 64 8.846 8.846 8.191 0.655 17849 7977 1 12 . 1 1 65 65 PHE N N 65 124.119 124.119 122.604 1.515 17849 7978 1 12 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.059 -0.533 17849 7979 1 12 . 1 1 65 65 PHE C C 65 176.981 176.981 176.509 0.472 17849 7980 1 12 . 1 1 65 65 PHE CA C 65 62.264 62.264 62.660 -0.396 17849 7981 1 12 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.278 -1.454 17849 7982 1 12 . 1 1 65 65 PHE H H 65 9.488 9.488 9.234 0.254 17849 7983 1 12 . 1 1 66 66 SER N N 66 112.445 112.445 115.228 -2.783 17849 7984 1 12 . 1 1 66 66 SER HA H 66 3.667 3.667 4.314 -0.647 17849 7985 1 12 . 1 1 66 66 SER C C 66 177.385 177.385 176.343 1.042 17849 7986 1 12 . 1 1 66 66 SER CA C 66 61.503 61.503 62.026 -0.523 17849 7987 1 12 . 1 1 66 66 SER CB C 66 61.285 61.285 62.685 -1.400 17849 7988 1 12 . 1 1 66 66 SER H H 66 8.972 8.972 8.397 0.575 17849 7989 1 12 . 1 1 67 67 GLU N N 67 122.775 122.775 121.981 0.794 17849 7990 1 12 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.102 0.018 17849 7991 1 12 . 1 1 67 67 GLU C C 67 178.567 178.567 178.122 0.445 17849 7992 1 12 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.146 -1.303 17849 7993 1 12 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.154 0.095 17849 7994 1 12 . 1 1 67 67 GLU H H 67 6.799 6.799 8.531 -1.732 17849 7995 1 12 . 1 1 68 68 PHE N N 68 123.231 123.231 118.845 4.386 17849 7996 1 12 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.222 -0.391 17849 7997 1 12 . 1 1 68 68 PHE C C 68 175.936 175.936 176.618 -0.682 17849 7998 1 12 . 1 1 68 68 PHE CA C 68 61.116 61.116 60.198 0.918 17849 7999 1 12 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.509 0.706 17849 8000 1 12 . 1 1 68 68 PHE H H 68 8.176 8.176 8.507 -0.331 17849 8001 1 12 . 1 1 69 69 LEU N N 69 118.554 118.554 119.840 -1.286 17849 8002 1 12 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.509 -0.343 17849 8003 1 12 . 1 1 69 69 LEU C C 69 179.074 179.074 178.578 0.496 17849 8004 1 12 . 1 1 69 69 LEU CA C 69 57.132 57.132 58.095 -0.963 17849 8005 1 12 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.492 -0.226 17849 8006 1 12 . 1 1 69 69 LEU H H 69 8.626 8.626 7.581 1.045 17849 8007 1 12 . 1 1 70 70 ALA N N 70 120.878 120.878 119.418 1.460 17849 8008 1 12 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.152 -0.267 17849 8009 1 12 . 1 1 70 70 ALA C C 70 179.914 179.914 179.384 0.530 17849 8010 1 12 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.017 0.954 17849 8011 1 12 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.526 -0.749 17849 8012 1 12 . 1 1 70 70 ALA H H 70 7.322 7.322 8.200 -0.878 17849 8013 1 12 . 1 1 71 71 LEU N N 71 118.871 118.871 118.393 0.478 17849 8014 1 12 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.976 -0.048 17849 8015 1 12 . 1 1 71 71 LEU C C 71 178.009 178.009 177.075 0.934 17849 8016 1 12 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.833 0.911 17849 8017 1 12 . 1 1 71 71 LEU CB C 71 41.412 41.412 42.313 -0.901 17849 8018 1 12 . 1 1 71 71 LEU H H 71 7.219 7.219 7.478 -0.259 17849 8019 1 12 . 1 1 72 72 MET N N 72 113.480 113.480 114.084 -0.604 17849 8020 1 12 . 1 1 72 72 MET HA H 72 4.165 4.165 4.230 -0.065 17849 8021 1 12 . 1 1 72 72 MET CA C 72 55.413 55.413 57.148 -1.735 17849 8022 1 12 . 1 1 72 72 MET CB C 72 31.199 31.199 33.240 -2.041 17849 8023 1 12 . 1 1 72 72 MET H H 72 7.486 7.486 7.383 0.103 17849 8024 1 12 . 1 1 73 73 SER HA H 73 4.337 4.337 4.413 -0.076 17849 8025 1 12 . 1 1 73 73 SER C C 73 174.241 174.241 175.708 -1.467 17849 8026 1 12 . 1 1 73 73 SER CA C 73 59.132 59.132 59.617 -0.485 17849 8027 1 12 . 1 1 73 73 SER CB C 73 63.649 63.649 63.428 0.220 17849 8028 1 12 . 1 1 73 73 SER H H 73 7.699 7.699 7.967 -0.268 17849 8029 1 12 . 1 1 74 74 ARG N N 74 121.213 121.213 119.055 2.158 17849 8030 1 12 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.364 -0.153 17849 8031 1 12 . 1 1 74 74 ARG C C 74 175.638 175.638 176.239 -0.601 17849 8032 1 12 . 1 1 74 74 ARG CA C 74 56.850 56.850 55.446 1.404 17849 8033 1 12 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.500 1.171 17849 8034 1 12 . 1 1 74 74 ARG H H 74 7.400 7.400 7.573 -0.173 17849 8035 1 12 . 1 1 75 75 GLN N N 75 118.914 118.914 119.266 -0.352 17849 8036 1 12 . 1 1 75 75 GLN CB C 75 29.315 29.315 29.522 -0.207 17849 8037 1 12 . 1 1 75 75 GLN H H 75 8.090 8.090 7.145 0.945 17849 8038 1 12 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.383 0.004 17849 8039 1 12 . 1 1 77 77 LYS C C 77 176.410 176.410 174.288 2.122 17849 8040 1 12 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.251 0.791 17849 8041 1 12 . 1 1 77 77 LYS CB C 77 33.157 33.157 35.047 -1.890 17849 8042 1 12 . 1 1 78 78 SER N N 78 116.257 116.257 118.179 -1.922 17849 8043 1 12 . 1 1 78 78 SER HA H 78 4.422 4.422 4.282 0.140 17849 8044 1 12 . 1 1 78 78 SER C C 78 174.436 174.436 173.711 0.725 17849 8045 1 12 . 1 1 78 78 SER CA C 78 58.366 58.366 59.712 -1.346 17849 8046 1 12 . 1 1 78 78 SER CB C 78 63.855 63.855 62.576 1.279 17849 8047 1 12 . 1 1 78 78 SER H H 78 8.332 8.332 8.553 -0.221 17849 8048 1 12 . 1 1 79 79 ASN N N 79 120.267 120.267 124.991 -4.724 17849 8049 1 12 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.908 -0.181 17849 8050 1 12 . 1 1 79 79 ASN C C 79 174.966 174.966 173.299 1.667 17849 8051 1 12 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.754 0.713 17849 8052 1 12 . 1 1 79 79 ASN CB C 79 38.869 38.869 41.131 -2.262 17849 8053 1 12 . 1 1 79 79 ASN H H 79 8.548 8.548 8.659 -0.111 17849 8054 1 12 . 1 1 80 80 ASP N N 80 119.659 119.659 121.595 -1.936 17849 8055 1 12 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.894 -0.277 17849 8056 1 12 . 1 1 80 80 ASP C C 80 176.412 176.412 174.182 2.230 17849 8057 1 12 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.111 0.599 17849 8058 1 12 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.698 0.525 17849 8059 1 12 . 1 1 80 80 ASP H H 80 8.325 8.325 8.623 -0.298 17849 8060 1 12 . 1 1 81 81 SER N N 81 115.425 115.425 114.569 0.856 17849 8061 1 12 . 1 1 81 81 SER HA H 81 4.414 4.414 4.469 -0.055 17849 8062 1 12 . 1 1 81 81 SER C C 81 174.733 174.733 172.732 2.001 17849 8063 1 12 . 1 1 81 81 SER CA C 81 59.183 59.183 57.669 1.514 17849 8064 1 12 . 1 1 81 81 SER CB C 81 63.784 63.784 64.772 -0.988 17849 8065 1 12 . 1 1 81 81 SER H H 81 8.256 8.256 7.622 0.634 17849 8066 1 12 . 1 1 82 82 GLU N N 82 121.456 121.456 123.021 -1.565 17849 8067 1 12 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.038 0.285 17849 8068 1 12 . 1 1 82 82 GLU C C 82 176.385 176.385 175.727 0.658 17849 8069 1 12 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.829 -1.101 17849 8070 1 12 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.766 0.106 17849 8071 1 12 . 1 1 82 82 GLU H H 82 8.375 8.375 8.512 -0.137 17849 8072 1 12 . 1 1 83 83 GLN N N 83 120.069 120.069 123.942 -3.873 17849 8073 1 12 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.413 -0.108 17849 8074 1 12 . 1 1 83 83 GLN C C 83 176.054 176.054 177.165 -1.111 17849 8075 1 12 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.452 -0.305 17849 8076 1 12 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.363 -0.060 17849 8077 1 12 . 1 1 83 83 GLN H H 83 8.233 8.233 8.609 -0.376 17849 8078 1 12 . 1 1 84 84 GLU N N 84 122.390 122.390 121.562 0.828 17849 8079 1 12 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.034 0.258 17849 8080 1 12 . 1 1 84 84 GLU C C 84 177.528 177.528 177.976 -0.448 17849 8081 1 12 . 1 1 84 84 GLU CA C 84 57.198 57.198 59.317 -2.119 17849 8082 1 12 . 1 1 84 84 GLU CB C 84 30.113 30.113 28.893 1.220 17849 8083 1 12 . 1 1 84 84 GLU H H 84 8.567 8.567 8.583 -0.016 17849 8084 1 12 . 1 1 85 85 LEU N N 85 122.788 122.788 120.008 2.780 17849 8085 1 12 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.116 0.079 17849 8086 1 12 . 1 1 85 85 LEU CA C 85 56.517 56.517 56.592 -0.075 17849 8087 1 12 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.445 1.971 17849 8088 1 12 . 1 1 85 85 LEU H H 85 8.434 8.434 7.876 0.558 17849 8089 1 12 . 1 1 86 86 LEU N N 86 119.558 119.558 117.681 1.877 17849 8090 1 12 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.122 0.035 17849 8091 1 12 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.832 -1.713 17849 8092 1 12 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.667 -0.109 17849 8093 1 12 . 1 1 86 86 LEU H H 86 8.037 8.037 8.245 -0.208 17849 8094 1 12 . 1 1 87 87 GLU N N 87 121.323 121.323 117.810 3.513 17849 8095 1 12 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.978 -0.055 17849 8096 1 12 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.554 0.993 17849 8097 1 12 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.062 0.281 17849 8098 1 12 . 1 1 87 87 GLU H H 87 8.192 8.192 8.084 0.108 17849 8099 1 12 . 1 1 88 88 ALA N N 88 119.942 119.942 120.241 -0.299 17849 8100 1 12 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.419 -0.343 17849 8101 1 12 . 1 1 88 88 ALA C C 88 178.281 178.281 178.220 0.061 17849 8102 1 12 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.839 0.642 17849 8103 1 12 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.290 -0.480 17849 8104 1 12 . 1 1 88 88 ALA H H 88 8.363 8.363 7.448 0.915 17849 8105 1 12 . 1 1 89 89 PHE N N 89 111.807 111.807 117.065 -5.258 17849 8106 1 12 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.115 0.374 17849 8107 1 12 . 1 1 89 89 PHE C C 89 176.632 176.632 175.965 0.667 17849 8108 1 12 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.706 0.772 17849 8109 1 12 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.388 -0.746 17849 8110 1 12 . 1 1 89 89 PHE H H 89 7.855 7.855 7.772 0.083 17849 8111 1 12 . 1 1 90 90 LYS N N 90 120.375 120.375 120.456 -0.081 17849 8112 1 12 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.344 -0.346 17849 8113 1 12 . 1 1 90 90 LYS C C 90 178.490 178.490 177.986 0.504 17849 8114 1 12 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.846 2.148 17849 8115 1 12 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.930 -1.016 17849 8116 1 12 . 1 1 90 90 LYS H H 90 7.957 7.957 7.767 0.190 17849 8117 1 12 . 1 1 91 91 VAL N N 91 116.643 116.643 119.690 -3.047 17849 8118 1 12 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.854 0.020 17849 8119 1 12 . 1 1 91 91 VAL C C 91 175.413 175.413 176.616 -1.203 17849 8120 1 12 . 1 1 91 91 VAL CA C 91 63.693 63.693 64.820 -1.127 17849 8121 1 12 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.283 -0.049 17849 8122 1 12 . 1 1 91 91 VAL H H 91 7.389 7.389 8.258 -0.869 17849 8123 1 12 . 1 1 92 92 PHE N N 92 115.769 115.769 113.066 2.703 17849 8124 1 12 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.326 0.194 17849 8125 1 12 . 1 1 92 92 PHE CA C 92 59.175 59.175 57.465 1.710 17849 8126 1 12 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.481 1.753 17849 8127 1 12 . 1 1 92 92 PHE H H 92 7.534 7.534 8.025 -0.491 17849 8128 1 12 . 1 1 93 93 ASP N N 93 115.397 115.397 119.239 -3.842 17849 8129 1 12 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.908 -0.050 17849 8130 1 12 . 1 1 93 93 ASP C C 93 177.421 177.421 177.284 0.137 17849 8131 1 12 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.634 -0.168 17849 8132 1 12 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.488 -1.508 17849 8133 1 12 . 1 1 93 93 ASP H H 93 7.543 7.543 7.605 -0.062 17849 8134 1 12 . 1 1 94 94 LYS N N 94 125.591 125.591 125.240 0.351 17849 8135 1 12 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.154 -0.075 17849 8136 1 12 . 1 1 94 94 LYS C C 94 177.856 177.856 177.435 0.421 17849 8137 1 12 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.444 0.486 17849 8138 1 12 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.326 0.068 17849 8139 1 12 . 1 1 94 94 LYS H H 94 7.873 7.873 8.335 -0.462 17849 8140 1 12 . 1 1 95 95 ASN N N 95 112.796 112.796 116.989 -4.193 17849 8141 1 12 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.606 0.191 17849 8142 1 12 . 1 1 95 95 ASN C C 95 176.619 176.619 175.931 0.688 17849 8143 1 12 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.311 -1.401 17849 8144 1 12 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.887 -1.611 17849 8145 1 12 . 1 1 95 95 ASN H H 95 8.272 8.272 8.001 0.271 17849 8146 1 12 . 1 1 96 96 GLY N N 96 109.132 109.132 108.148 0.984 17849 8147 1 12 . 1 1 96 96 GLY C C 96 174.799 174.799 174.272 0.527 17849 8148 1 12 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.303 1.268 17849 8149 1 12 . 1 1 96 96 GLY H H 96 7.654 7.654 7.665 -0.011 17849 8150 1 12 . 1 1 97 97 ASP N N 97 118.796 118.796 120.462 -1.666 17849 8151 1 12 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.664 -0.134 17849 8152 1 12 . 1 1 97 97 ASP C C 97 177.137 177.137 177.353 -0.216 17849 8153 1 12 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.147 0.245 17849 8154 1 12 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.905 -1.516 17849 8155 1 12 . 1 1 97 97 ASP H H 97 8.090 8.090 8.585 -0.495 17849 8156 1 12 . 1 1 98 98 GLY N N 98 112.962 112.962 107.871 5.091 17849 8157 1 12 . 1 1 98 98 GLY C C 98 172.142 172.142 172.756 -0.614 17849 8158 1 12 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.755 -0.031 17849 8159 1 12 . 1 1 98 98 GLY H H 98 10.329 10.329 8.439 1.890 17849 8160 1 12 . 1 1 99 99 LEU N N 99 119.691 119.691 119.918 -0.227 17849 8161 1 12 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.773 -0.011 17849 8162 1 12 . 1 1 99 99 LEU C C 99 176.162 176.162 174.808 1.354 17849 8163 1 12 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.932 -1.108 17849 8164 1 12 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.892 -1.110 17849 8165 1 12 . 1 1 99 99 LEU H H 99 8.000 8.000 8.066 -0.066 17849 8166 1 12 . 1 1 100 100 ILE N N 100 127.464 127.464 119.976 7.488 17849 8167 1 12 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.851 -0.177 17849 8168 1 12 . 1 1 100 100 ILE C C 100 175.006 175.006 174.582 0.424 17849 8169 1 12 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.978 0.442 17849 8170 1 12 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.743 -2.932 17849 8171 1 12 . 1 1 100 100 ILE H H 100 9.491 9.491 8.379 1.112 17849 8172 1 12 . 1 1 101 101 SER N N 101 123.104 123.104 119.801 3.303 17849 8173 1 12 . 1 1 101 101 SER HA H 101 4.770 4.770 4.926 -0.156 17849 8174 1 12 . 1 1 101 101 SER C C 101 174.847 174.847 175.241 -0.394 17849 8175 1 12 . 1 1 101 101 SER CA C 101 55.854 55.854 56.907 -1.053 17849 8176 1 12 . 1 1 101 101 SER CB C 101 65.994 65.994 65.940 0.054 17849 8177 1 12 . 1 1 101 101 SER H H 101 9.058 9.058 8.355 0.703 17849 8178 1 12 . 1 1 102 102 ALA N N 102 124.316 124.316 123.561 0.755 17849 8179 1 12 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.113 -0.497 17849 8180 1 12 . 1 1 102 102 ALA C C 102 179.388 179.388 178.993 0.395 17849 8181 1 12 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.502 1.222 17849 8182 1 12 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.690 -0.375 17849 8183 1 12 . 1 1 102 102 ALA H H 102 8.587 8.587 8.390 0.197 17849 8184 1 12 . 1 1 103 103 ALA N N 103 118.346 118.346 121.343 -2.997 17849 8185 1 12 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.984 0.016 17849 8186 1 12 . 1 1 103 103 ALA C C 103 181.188 181.188 178.612 2.576 17849 8187 1 12 . 1 1 103 103 ALA CA C 103 55.058 55.058 53.853 1.205 17849 8188 1 12 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.648 -0.259 17849 8189 1 12 . 1 1 103 103 ALA H H 103 8.266 8.266 8.050 0.216 17849 8190 1 12 . 1 1 104 104 GLU N N 104 120.568 120.568 120.068 0.500 17849 8191 1 12 . 1 1 104 104 GLU HA H 104 4.056 4.056 3.739 0.317 17849 8192 1 12 . 1 1 104 104 GLU C C 104 178.762 178.762 178.979 -0.217 17849 8193 1 12 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.336 0.632 17849 8194 1 12 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.328 -0.416 17849 8195 1 12 . 1 1 104 104 GLU H H 104 7.928 7.928 8.192 -0.264 17849 8196 1 12 . 1 1 105 105 LEU N N 105 117.903 117.903 119.692 -1.789 17849 8197 1 12 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.037 -0.008 17849 8198 1 12 . 1 1 105 105 LEU C C 105 178.497 178.497 179.101 -0.604 17849 8199 1 12 . 1 1 105 105 LEU CA C 105 58.453 58.453 58.568 -0.115 17849 8200 1 12 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.213 0.979 17849 8201 1 12 . 1 1 105 105 LEU H H 105 7.926 7.926 8.391 -0.465 17849 8202 1 12 . 1 1 106 106 LYS N N 106 115.836 115.836 117.390 -1.554 17849 8203 1 12 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.072 -0.273 17849 8204 1 12 . 1 1 106 106 LYS C C 106 179.102 179.102 178.600 0.502 17849 8205 1 12 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.821 1.351 17849 8206 1 12 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.133 0.477 17849 8207 1 12 . 1 1 106 106 LYS H H 106 8.337 8.337 7.696 0.641 17849 8208 1 12 . 1 1 107 107 HIS N N 107 119.620 119.620 118.448 1.172 17849 8209 1 12 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.393 -0.139 17849 8210 1 12 . 1 1 107 107 HIS C C 107 178.167 178.167 177.257 0.910 17849 8211 1 12 . 1 1 107 107 HIS CA C 107 59.928 59.928 56.687 3.241 17849 8212 1 12 . 1 1 107 107 HIS CB C 107 30.584 30.584 28.735 1.849 17849 8213 1 12 . 1 1 107 107 HIS H H 107 8.502 8.502 8.007 0.495 17849 8214 1 12 . 1 1 108 108 VAL N N 108 118.595 118.595 120.688 -2.093 17849 8215 1 12 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.594 0.062 17849 8216 1 12 . 1 1 108 108 VAL C C 108 178.608 178.608 176.800 1.808 17849 8217 1 12 . 1 1 108 108 VAL CA C 108 66.356 66.356 64.855 1.501 17849 8218 1 12 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.748 1.567 17849 8219 1 12 . 1 1 108 108 VAL H H 108 8.348 8.348 7.354 0.994 17849 8220 1 12 . 1 1 109 109 LEU N N 109 116.755 116.755 115.638 1.117 17849 8221 1 12 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.988 0.156 17849 8222 1 12 . 1 1 109 109 LEU C C 109 179.267 179.267 177.689 1.578 17849 8223 1 12 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.387 0.067 17849 8224 1 12 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.334 0.769 17849 8225 1 12 . 1 1 109 109 LEU H H 109 8.251 8.251 7.658 0.593 17849 8226 1 12 . 1 1 110 110 THR N N 110 111.046 111.046 107.409 3.637 17849 8227 1 12 . 1 1 110 110 THR HA H 110 4.256 4.256 4.348 -0.092 17849 8228 1 12 . 1 1 110 110 THR C C 110 175.897 175.897 175.733 0.164 17849 8229 1 12 . 1 1 110 110 THR CA C 110 64.465 64.465 63.507 0.958 17849 8230 1 12 . 1 1 110 110 THR CB C 110 69.431 69.431 69.749 -0.318 17849 8231 1 12 . 1 1 110 110 THR H H 110 8.085 8.085 7.501 0.584 17849 8232 1 12 . 1 1 111 111 SER N N 111 117.074 117.074 117.452 -0.378 17849 8233 1 12 . 1 1 111 111 SER HA H 111 4.406 4.406 4.335 0.071 17849 8234 1 12 . 1 1 111 111 SER C C 111 175.051 175.051 174.891 0.160 17849 8235 1 12 . 1 1 111 111 SER CA C 111 59.968 59.968 59.516 0.452 17849 8236 1 12 . 1 1 111 111 SER CB C 111 63.391 63.391 63.295 0.096 17849 8237 1 12 . 1 1 111 111 SER H H 111 7.681 7.681 7.860 -0.179 17849 8238 1 12 . 1 1 112 112 ILE N N 112 119.783 119.783 120.130 -0.347 17849 8239 1 12 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.704 0.387 17849 8240 1 12 . 1 1 112 112 ILE C C 112 177.040 177.040 175.679 1.361 17849 8241 1 12 . 1 1 112 112 ILE CA C 112 62.524 62.524 62.823 -0.299 17849 8242 1 12 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.209 0.136 17849 8243 1 12 . 1 1 112 112 ILE H H 112 7.444 7.444 7.269 0.175 17849 8244 1 12 . 1 1 113 113 GLY N N 113 110.432 110.432 110.808 -0.376 17849 8245 1 12 . 1 1 113 113 GLY C C 113 174.442 174.442 174.226 0.216 17849 8246 1 12 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.641 1.002 17849 8247 1 12 . 1 1 113 113 GLY H H 113 8.148 8.148 7.909 0.239 17849 8248 1 12 . 1 1 114 114 GLU N N 114 120.374 120.374 120.196 0.178 17849 8249 1 12 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.114 0.152 17849 8250 1 12 . 1 1 114 114 GLU C C 114 176.556 176.556 176.877 -0.321 17849 8251 1 12 . 1 1 114 114 GLU CA C 114 56.773 56.773 58.863 -2.090 17849 8252 1 12 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.901 0.389 17849 8253 1 12 . 1 1 114 114 GLU H H 114 8.092 8.092 8.486 -0.394 17849 8254 1 12 . 1 1 115 115 LYS N N 115 121.383 121.383 115.804 5.579 17849 8255 1 12 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.486 -0.151 17849 8256 1 12 . 1 1 115 115 LYS C C 115 176.654 176.654 174.880 1.774 17849 8257 1 12 . 1 1 115 115 LYS CA C 115 56.299 56.299 55.494 0.805 17849 8258 1 12 . 1 1 115 115 LYS CB C 115 32.839 32.839 35.163 -2.324 17849 8259 1 12 . 1 1 115 115 LYS H H 115 8.221 8.221 7.841 0.380 17849 8260 1 12 . 1 1 116 116 LEU N N 116 123.146 123.146 116.240 6.906 17849 8261 1 12 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.880 -0.459 17849 8262 1 12 . 1 1 116 116 LEU C C 116 177.677 177.677 175.593 2.084 17849 8263 1 12 . 1 1 116 116 LEU CA C 116 55.320 55.320 55.189 0.131 17849 8264 1 12 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.426 -1.117 17849 8265 1 12 . 1 1 116 116 LEU H H 116 8.265 8.265 8.387 -0.122 17849 8266 1 12 . 1 1 117 117 THR N N 117 113.859 113.859 113.812 0.047 17849 8267 1 12 . 1 1 117 117 THR HA H 117 4.337 4.337 4.642 -0.305 17849 8268 1 12 . 1 1 117 117 THR C C 117 174.535 174.535 174.243 0.292 17849 8269 1 12 . 1 1 117 117 THR CA C 117 61.824 61.824 60.417 1.407 17849 8270 1 12 . 1 1 117 117 THR CB C 117 70.096 70.096 70.754 -0.658 17849 8271 1 12 . 1 1 117 117 THR H H 117 8.182 8.182 8.274 -0.092 17849 8272 1 12 . 1 1 118 118 ASP N N 118 122.049 122.049 118.392 3.657 17849 8273 1 12 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.708 -0.175 17849 8274 1 12 . 1 1 118 118 ASP C C 118 176.728 176.728 177.742 -1.014 17849 8275 1 12 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.416 -0.198 17849 8276 1 12 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.002 -0.150 17849 8277 1 12 . 1 1 118 118 ASP H H 118 8.367 8.367 8.528 -0.161 17849 8278 1 12 . 1 1 119 119 ALA N N 119 123.432 123.432 120.760 2.672 17849 8279 1 12 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.385 -0.166 17849 8280 1 12 . 1 1 119 119 ALA C C 119 178.486 178.486 177.859 0.627 17849 8281 1 12 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.135 0.298 17849 8282 1 12 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.253 0.822 17849 8283 1 12 . 1 1 119 119 ALA H H 119 8.206 8.206 7.732 0.474 17849 8284 1 12 . 1 1 120 120 GLU N N 120 118.592 118.592 117.729 0.863 17849 8285 1 12 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.023 0.159 17849 8286 1 12 . 1 1 120 120 GLU C C 120 177.133 177.133 176.855 0.278 17849 8287 1 12 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.762 -1.657 17849 8288 1 12 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.465 0.587 17849 8289 1 12 . 1 1 120 120 GLU H H 120 8.187 8.187 8.197 -0.010 17849 8290 1 12 . 1 1 121 121 LEU N N 121 121.427 121.427 116.425 5.002 17849 8291 1 12 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.356 -0.152 17849 8292 1 12 . 1 1 121 121 LEU C C 121 177.710 177.710 177.669 0.041 17849 8293 1 12 . 1 1 121 121 LEU CA C 121 55.752 55.752 56.488 -0.736 17849 8294 1 12 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.660 -0.402 17849 8295 1 12 . 1 1 121 121 LEU H H 121 8.020 8.020 7.337 0.683 17849 8296 1 12 . 1 1 122 122 GLU N N 122 119.850 119.850 119.599 0.251 17849 8297 1 12 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.171 -0.044 17849 8298 1 12 . 1 1 122 122 GLU C C 122 176.518 176.518 175.851 0.667 17849 8299 1 12 . 1 1 122 122 GLU CA C 122 57.014 57.014 56.228 0.786 17849 8300 1 12 . 1 1 122 122 GLU CB C 122 30.056 30.056 27.544 2.512 17849 8301 1 12 . 1 1 122 122 GLU H H 122 8.118 8.118 8.507 -0.389 17849 8302 1 12 . 1 1 123 123 HIS N N 123 118.817 118.817 122.146 -3.329 17849 8303 1 12 . 1 1 123 123 HIS CA C 123 56.259 56.259 54.551 1.708 17849 8304 1 12 . 1 1 123 123 HIS H H 123 8.106 8.106 8.555 -0.449 17849 8305 1 13 . 1 1 2 2 SER HA H 2 4.507 4.507 4.618 -0.111 17849 8306 1 13 . 1 1 2 2 SER CA C 2 58.342 58.342 57.718 0.624 17849 8307 1 13 . 1 1 2 2 SER CB C 2 63.883 63.883 63.643 0.240 17849 8308 1 13 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.718 0.046 17849 8309 1 13 . 1 1 3 3 ASN C C 3 174.784 174.784 175.947 -1.163 17849 8310 1 13 . 1 1 3 3 ASN CA C 3 53.125 53.125 53.225 -0.100 17849 8311 1 13 . 1 1 3 3 ASN CB C 3 38.893 38.893 38.789 0.104 17849 8312 1 13 . 1 1 4 4 LEU N N 4 121.466 121.466 119.942 1.524 17849 8313 1 13 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.294 0.406 17849 8314 1 13 . 1 1 4 4 LEU C C 4 177.665 177.665 177.746 -0.081 17849 8315 1 13 . 1 1 4 4 LEU CA C 4 54.512 54.512 56.336 -1.824 17849 8316 1 13 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.091 1.548 17849 8317 1 13 . 1 1 4 4 LEU H H 4 8.097 8.097 8.303 -0.206 17849 8318 1 13 . 1 1 5 5 THR N N 5 112.990 112.990 110.804 2.186 17849 8319 1 13 . 1 1 5 5 THR HA H 5 4.481 4.481 4.657 -0.176 17849 8320 1 13 . 1 1 5 5 THR C C 5 175.474 175.474 175.324 0.150 17849 8321 1 13 . 1 1 5 5 THR CA C 5 60.528 60.528 60.363 0.165 17849 8322 1 13 . 1 1 5 5 THR CB C 5 71.244 71.244 71.272 -0.028 17849 8323 1 13 . 1 1 5 5 THR H H 5 8.778 8.778 7.936 0.842 17849 8324 1 13 . 1 1 6 6 GLU N N 6 120.343 120.343 121.782 -1.439 17849 8325 1 13 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.878 0.124 17849 8326 1 13 . 1 1 6 6 GLU C C 6 179.568 179.568 178.263 1.305 17849 8327 1 13 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.196 -0.020 17849 8328 1 13 . 1 1 6 6 GLU CB C 6 29.225 29.225 28.849 0.376 17849 8329 1 13 . 1 1 6 6 GLU H H 6 9.078 9.078 8.995 0.083 17849 8330 1 13 . 1 1 7 7 GLU N N 7 119.544 119.544 119.382 0.162 17849 8331 1 13 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.961 0.150 17849 8332 1 13 . 1 1 7 7 GLU C C 7 179.170 179.170 179.064 0.106 17849 8333 1 13 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.072 0.965 17849 8334 1 13 . 1 1 7 7 GLU CB C 7 29.117 29.117 28.666 0.451 17849 8335 1 13 . 1 1 7 7 GLU H H 7 8.820 8.820 8.499 0.321 17849 8336 1 13 . 1 1 8 8 GLN N N 8 119.824 119.824 118.155 1.669 17849 8337 1 13 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.656 0.508 17849 8338 1 13 . 1 1 8 8 GLN C C 8 179.652 179.652 178.225 1.427 17849 8339 1 13 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.423 0.329 17849 8340 1 13 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.498 1.241 17849 8341 1 13 . 1 1 8 8 GLN H H 8 7.812 7.812 7.444 0.368 17849 8342 1 13 . 1 1 9 9 ILE N N 9 120.978 120.978 119.569 1.409 17849 8343 1 13 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.768 0.084 17849 8344 1 13 . 1 1 9 9 ILE C C 9 177.899 177.899 177.896 0.003 17849 8345 1 13 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.378 1.198 17849 8346 1 13 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.620 0.369 17849 8347 1 13 . 1 1 9 9 ILE H H 9 8.634 8.634 7.867 0.767 17849 8348 1 13 . 1 1 10 10 ALA N N 10 121.528 121.528 121.831 -0.303 17849 8349 1 13 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.094 0.012 17849 8350 1 13 . 1 1 10 10 ALA C C 10 180.886 180.886 179.022 1.864 17849 8351 1 13 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.000 0.418 17849 8352 1 13 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.908 -0.133 17849 8353 1 13 . 1 1 10 10 ALA H H 10 8.142 8.142 8.193 -0.051 17849 8354 1 13 . 1 1 11 11 GLU N N 11 118.807 118.807 117.960 0.847 17849 8355 1 13 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.160 0.054 17849 8356 1 13 . 1 1 11 11 GLU C C 11 180.292 180.292 179.359 0.933 17849 8357 1 13 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.544 0.820 17849 8358 1 13 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.682 0.106 17849 8359 1 13 . 1 1 11 11 GLU H H 11 7.810 7.810 7.450 0.360 17849 8360 1 13 . 1 1 12 12 PHE N N 12 118.671 118.671 119.786 -1.115 17849 8361 1 13 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.476 0.171 17849 8362 1 13 . 1 1 12 12 PHE C C 12 179.032 179.032 178.138 0.894 17849 8363 1 13 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.909 3.251 17849 8364 1 13 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.777 1.238 17849 8365 1 13 . 1 1 12 12 PHE H H 12 8.432 8.432 7.775 0.657 17849 8366 1 13 . 1 1 13 13 LYS N N 13 123.536 123.536 119.711 3.825 17849 8367 1 13 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.362 -0.522 17849 8368 1 13 . 1 1 13 13 LYS C C 13 179.114 179.114 177.938 1.176 17849 8369 1 13 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.496 0.592 17849 8370 1 13 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.313 -0.661 17849 8371 1 13 . 1 1 13 13 LYS H H 13 8.981 8.981 8.575 0.406 17849 8372 1 13 . 1 1 14 14 GLU N N 14 119.691 119.691 118.379 1.312 17849 8373 1 13 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.365 -0.268 17849 8374 1 13 . 1 1 14 14 GLU C C 14 179.285 179.285 178.229 1.056 17849 8375 1 13 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.264 0.981 17849 8376 1 13 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.906 -0.265 17849 8377 1 13 . 1 1 14 14 GLU H H 14 7.737 7.737 7.943 -0.206 17849 8378 1 13 . 1 1 15 15 ALA N N 15 120.127 120.127 123.890 -3.763 17849 8379 1 13 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.164 0.003 17849 8380 1 13 . 1 1 15 15 ALA C C 15 178.607 178.607 179.673 -1.066 17849 8381 1 13 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.441 -0.383 17849 8382 1 13 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.644 0.487 17849 8383 1 13 . 1 1 15 15 ALA H H 15 7.747 7.747 7.743 0.004 17849 8384 1 13 . 1 1 16 16 PHE N N 16 119.058 119.058 118.603 0.455 17849 8385 1 13 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.857 -0.550 17849 8386 1 13 . 1 1 16 16 PHE C C 16 177.236 177.236 177.277 -0.041 17849 8387 1 13 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.464 1.241 17849 8388 1 13 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.810 0.942 17849 8389 1 13 . 1 1 16 16 PHE H H 16 8.908 8.908 8.901 0.007 17849 8390 1 13 . 1 1 17 17 ALA N N 17 119.352 119.352 121.330 -1.978 17849 8391 1 13 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.071 0.053 17849 8392 1 13 . 1 1 17 17 ALA C C 17 178.680 178.680 178.429 0.251 17849 8393 1 13 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.262 0.277 17849 8394 1 13 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.789 -0.574 17849 8395 1 13 . 1 1 17 17 ALA H H 17 7.877 7.877 8.227 -0.350 17849 8396 1 13 . 1 1 18 18 LEU N N 18 115.281 115.281 118.516 -3.235 17849 8397 1 13 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.039 0.016 17849 8398 1 13 . 1 1 18 18 LEU C C 18 178.393 178.393 178.350 0.043 17849 8399 1 13 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.351 -0.709 17849 8400 1 13 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.599 0.144 17849 8401 1 13 . 1 1 18 18 LEU H H 18 7.369 7.369 7.910 -0.541 17849 8402 1 13 . 1 1 19 19 PHE N N 19 115.719 115.719 114.786 0.933 17849 8403 1 13 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.306 -0.097 17849 8404 1 13 . 1 1 19 19 PHE C C 19 176.704 176.704 175.542 1.162 17849 8405 1 13 . 1 1 19 19 PHE CA C 19 59.233 59.233 60.164 -0.931 17849 8406 1 13 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.153 1.517 17849 8407 1 13 . 1 1 19 19 PHE H H 19 7.468 7.468 7.657 -0.189 17849 8408 1 13 . 1 1 20 20 ASP N N 20 117.209 117.209 117.960 -0.751 17849 8409 1 13 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.431 0.030 17849 8410 1 13 . 1 1 20 20 ASP C C 20 176.557 176.557 176.139 0.418 17849 8411 1 13 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.843 -2.598 17849 8412 1 13 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.181 -3.034 17849 8413 1 13 . 1 1 20 20 ASP H H 20 7.488 7.488 7.569 -0.081 17849 8414 1 13 . 1 1 21 21 LYS N N 21 124.086 124.086 125.200 -1.114 17849 8415 1 13 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.169 -0.171 17849 8416 1 13 . 1 1 21 21 LYS C C 21 177.844 177.844 177.883 -0.039 17849 8417 1 13 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.913 0.396 17849 8418 1 13 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.885 -0.433 17849 8419 1 13 . 1 1 21 21 LYS H H 21 7.376 7.376 8.296 -0.920 17849 8420 1 13 . 1 1 22 22 ASP N N 22 114.097 114.097 115.379 -1.282 17849 8421 1 13 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.557 0.047 17849 8422 1 13 . 1 1 22 22 ASP C C 22 176.349 176.349 175.722 0.627 17849 8423 1 13 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.612 -0.909 17849 8424 1 13 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.247 -0.892 17849 8425 1 13 . 1 1 22 22 ASP H H 22 8.113 8.113 8.028 0.085 17849 8426 1 13 . 1 1 23 23 ASN N N 23 115.562 115.562 115.623 -0.061 17849 8427 1 13 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.339 0.056 17849 8428 1 13 . 1 1 23 23 ASN C C 23 174.864 174.864 174.887 -0.023 17849 8429 1 13 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.136 0.265 17849 8430 1 13 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.410 1.514 17849 8431 1 13 . 1 1 23 23 ASN H H 23 8.048 8.048 8.173 -0.125 17849 8432 1 13 . 1 1 24 24 ASN N N 24 117.615 117.615 117.869 -0.254 17849 8433 1 13 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.677 0.158 17849 8434 1 13 . 1 1 24 24 ASN C C 24 177.445 177.445 176.471 0.974 17849 8435 1 13 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.547 -1.132 17849 8436 1 13 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.980 -0.499 17849 8437 1 13 . 1 1 24 24 ASN H H 24 8.517 8.517 8.857 -0.340 17849 8438 1 13 . 1 1 25 25 GLY N N 25 114.308 114.308 108.232 6.076 17849 8439 1 13 . 1 1 25 25 GLY C C 25 173.105 173.105 173.025 0.080 17849 8440 1 13 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.322 0.159 17849 8441 1 13 . 1 1 25 25 GLY H H 25 10.729 10.729 7.910 2.819 17849 8442 1 13 . 1 1 26 26 SER N N 26 113.267 113.267 115.097 -1.830 17849 8443 1 13 . 1 1 26 26 SER HA H 26 5.330 5.330 5.633 -0.303 17849 8444 1 13 . 1 1 26 26 SER C C 26 172.610 172.610 173.308 -0.698 17849 8445 1 13 . 1 1 26 26 SER CA C 26 57.375 57.375 56.100 1.275 17849 8446 1 13 . 1 1 26 26 SER CB C 26 66.504 66.504 66.092 0.412 17849 8447 1 13 . 1 1 26 26 SER H H 26 7.773 7.773 7.826 -0.053 17849 8448 1 13 . 1 1 27 27 ILE N N 27 127.124 127.124 125.449 1.675 17849 8449 1 13 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.304 0.584 17849 8450 1 13 . 1 1 27 27 ILE C C 27 175.876 175.876 174.965 0.911 17849 8451 1 13 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.401 -0.365 17849 8452 1 13 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.670 -1.774 17849 8453 1 13 . 1 1 27 27 ILE H H 27 9.848 9.848 8.004 1.844 17849 8454 1 13 . 1 1 28 28 SER N N 28 124.825 124.825 119.613 5.212 17849 8455 1 13 . 1 1 28 28 SER HA H 28 4.771 4.771 5.189 -0.418 17849 8456 1 13 . 1 1 28 28 SER C C 28 175.395 175.395 175.733 -0.338 17849 8457 1 13 . 1 1 28 28 SER CA C 28 56.680 56.680 55.205 1.475 17849 8458 1 13 . 1 1 28 28 SER CB C 28 66.154 66.154 65.334 0.820 17849 8459 1 13 . 1 1 28 28 SER H H 28 9.347 9.347 8.428 0.919 17849 8460 1 13 . 1 1 29 29 SER N N 29 116.882 116.882 119.109 -2.227 17849 8461 1 13 . 1 1 29 29 SER HA H 29 4.144 4.144 4.252 -0.108 17849 8462 1 13 . 1 1 29 29 SER C C 29 176.516 176.516 176.583 -0.067 17849 8463 1 13 . 1 1 29 29 SER CA C 29 62.634 62.634 61.385 1.249 17849 8464 1 13 . 1 1 29 29 SER CB C 29 62.227 62.227 62.737 -0.510 17849 8465 1 13 . 1 1 29 29 SER H H 29 9.604 9.604 9.112 0.492 17849 8466 1 13 . 1 1 30 30 SER N N 30 116.141 116.141 117.681 -1.540 17849 8467 1 13 . 1 1 30 30 SER HA H 30 4.327 4.327 4.086 0.241 17849 8468 1 13 . 1 1 30 30 SER C C 30 177.965 177.965 176.467 1.498 17849 8469 1 13 . 1 1 30 30 SER CA C 30 61.341 61.341 62.090 -0.749 17849 8470 1 13 . 1 1 30 30 SER CB C 30 62.429 62.429 62.907 -0.478 17849 8471 1 13 . 1 1 30 30 SER H H 30 8.184 8.184 7.944 0.240 17849 8472 1 13 . 1 1 31 31 GLU N N 31 124.933 124.933 122.227 2.706 17849 8473 1 13 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.022 0.069 17849 8474 1 13 . 1 1 31 31 GLU C C 31 179.355 179.355 178.969 0.386 17849 8475 1 13 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.097 0.345 17849 8476 1 13 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.451 -0.116 17849 8477 1 13 . 1 1 31 31 GLU H H 31 7.973 7.973 8.097 -0.124 17849 8478 1 13 . 1 1 32 32 LEU N N 32 120.778 120.778 120.339 0.439 17849 8479 1 13 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.104 0.063 17849 8480 1 13 . 1 1 32 32 LEU C C 32 178.364 178.364 178.394 -0.030 17849 8481 1 13 . 1 1 32 32 LEU CA C 32 58.347 58.347 58.145 0.202 17849 8482 1 13 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.989 0.122 17849 8483 1 13 . 1 1 32 32 LEU H H 32 8.616 8.616 8.284 0.332 17849 8484 1 13 . 1 1 33 33 ALA N N 33 120.423 120.423 120.133 0.290 17849 8485 1 13 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.035 -0.159 17849 8486 1 13 . 1 1 33 33 ALA C C 33 179.394 179.394 179.571 -0.177 17849 8487 1 13 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.184 0.604 17849 8488 1 13 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.154 0.364 17849 8489 1 13 . 1 1 33 33 ALA H H 33 8.688 8.688 8.455 0.233 17849 8490 1 13 . 1 1 34 34 THR N N 34 114.299 114.299 114.267 0.032 17849 8491 1 13 . 1 1 34 34 THR HA H 34 3.902 3.902 4.039 -0.137 17849 8492 1 13 . 1 1 34 34 THR C C 34 177.161 177.161 175.948 1.213 17849 8493 1 13 . 1 1 34 34 THR CA C 34 67.173 67.173 66.192 0.981 17849 8494 1 13 . 1 1 34 34 THR CB C 34 68.712 68.712 68.741 -0.029 17849 8495 1 13 . 1 1 34 34 THR H H 34 8.219 8.219 8.198 0.021 17849 8496 1 13 . 1 1 35 35 VAL N N 35 122.638 122.638 120.405 2.233 17849 8497 1 13 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.722 -0.138 17849 8498 1 13 . 1 1 35 35 VAL C C 35 178.403 178.403 177.028 1.375 17849 8499 1 13 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.060 0.824 17849 8500 1 13 . 1 1 35 35 VAL CB C 35 31.361 31.361 32.087 -0.726 17849 8501 1 13 . 1 1 35 35 VAL H H 35 7.791 7.791 7.718 0.073 17849 8502 1 13 . 1 1 36 36 MET N N 36 117.307 117.307 118.825 -1.518 17849 8503 1 13 . 1 1 36 36 MET HA H 36 3.906 3.906 4.177 -0.271 17849 8504 1 13 . 1 1 36 36 MET C C 36 178.456 178.456 178.319 0.137 17849 8505 1 13 . 1 1 36 36 MET CA C 36 59.787 59.787 57.089 2.698 17849 8506 1 13 . 1 1 36 36 MET CB C 36 32.548 32.548 31.210 1.338 17849 8507 1 13 . 1 1 36 36 MET H H 36 8.308 8.308 7.538 0.770 17849 8508 1 13 . 1 1 37 37 ARG N N 37 118.384 118.384 117.966 0.418 17849 8509 1 13 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.260 0.497 17849 8510 1 13 . 1 1 37 37 ARG C C 37 181.371 181.371 178.652 2.719 17849 8511 1 13 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.936 -0.049 17849 8512 1 13 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.264 0.834 17849 8513 1 13 . 1 1 37 37 ARG H H 37 8.634 8.634 8.318 0.316 17849 8514 1 13 . 1 1 38 38 SER N N 38 118.916 118.916 114.247 4.669 17849 8515 1 13 . 1 1 38 38 SER HA H 38 4.339 4.339 4.226 0.113 17849 8516 1 13 . 1 1 38 38 SER C C 38 174.705 174.705 176.715 -2.010 17849 8517 1 13 . 1 1 38 38 SER CA C 38 61.793 61.793 60.263 1.530 17849 8518 1 13 . 1 1 38 38 SER CB C 38 62.713 62.713 62.974 -0.261 17849 8519 1 13 . 1 1 38 38 SER H H 38 8.226 8.226 7.413 0.813 17849 8520 1 13 . 1 1 39 39 LEU N N 39 119.948 119.948 120.664 -0.716 17849 8521 1 13 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.903 0.393 17849 8522 1 13 . 1 1 39 39 LEU C C 39 176.723 176.723 178.152 -1.429 17849 8523 1 13 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.522 -2.962 17849 8524 1 13 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.282 -0.293 17849 8525 1 13 . 1 1 39 39 LEU H H 39 7.331 7.331 7.453 -0.122 17849 8526 1 13 . 1 1 40 40 GLY N N 40 105.997 105.997 103.211 2.786 17849 8527 1 13 . 1 1 40 40 GLY C C 40 174.405 174.405 174.091 0.314 17849 8528 1 13 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.924 0.264 17849 8529 1 13 . 1 1 40 40 GLY H H 40 7.889 7.889 7.785 0.104 17849 8530 1 13 . 1 1 41 41 LEU N N 41 120.071 120.071 118.174 1.897 17849 8531 1 13 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.635 -0.149 17849 8532 1 13 . 1 1 41 41 LEU C C 41 175.829 175.829 175.594 0.235 17849 8533 1 13 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.931 0.257 17849 8534 1 13 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.466 -0.893 17849 8535 1 13 . 1 1 41 41 LEU H H 41 7.592 7.592 7.394 0.198 17849 8536 1 13 . 1 1 42 42 SER N N 42 112.869 112.869 111.206 1.663 17849 8537 1 13 . 1 1 42 42 SER HA H 42 4.797 4.797 4.823 -0.026 17849 8538 1 13 . 1 1 42 42 SER CA C 42 54.960 54.960 55.858 -0.897 17849 8539 1 13 . 1 1 42 42 SER CB C 42 63.177 63.177 63.858 -0.681 17849 8540 1 13 . 1 1 42 42 SER H H 42 8.761 8.761 8.412 0.349 17849 8541 1 13 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.718 -0.010 17849 8542 1 13 . 1 1 43 43 PRO C C 43 177.533 177.533 176.870 0.663 17849 8543 1 13 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.224 -0.049 17849 8544 1 13 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.569 -0.695 17849 8545 1 13 . 1 1 44 44 SER N N 44 119.089 119.089 118.946 0.143 17849 8546 1 13 . 1 1 44 44 SER HA H 44 4.574 4.574 4.592 -0.018 17849 8547 1 13 . 1 1 44 44 SER C C 44 174.803 174.803 175.419 -0.616 17849 8548 1 13 . 1 1 44 44 SER CA C 44 56.786 56.786 57.250 -0.464 17849 8549 1 13 . 1 1 44 44 SER CB C 44 65.387 65.387 64.780 0.607 17849 8550 1 13 . 1 1 44 44 SER H H 44 9.014 9.014 8.358 0.656 17849 8551 1 13 . 1 1 45 45 GLU N N 45 121.343 121.343 126.612 -5.269 17849 8552 1 13 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.832 0.112 17849 8553 1 13 . 1 1 45 45 GLU C C 45 178.978 178.978 178.101 0.877 17849 8554 1 13 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.923 0.183 17849 8555 1 13 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.833 -0.530 17849 8556 1 13 . 1 1 45 45 GLU H H 45 8.925 8.925 9.099 -0.174 17849 8557 1 13 . 1 1 46 46 ALA N N 46 120.822 120.822 121.728 -0.906 17849 8558 1 13 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.250 -0.104 17849 8559 1 13 . 1 1 46 46 ALA C C 46 179.782 179.782 179.207 0.575 17849 8560 1 13 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.398 0.688 17849 8561 1 13 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.230 0.026 17849 8562 1 13 . 1 1 46 46 ALA H H 46 8.339 8.339 8.077 0.262 17849 8563 1 13 . 1 1 47 47 GLU N N 47 118.432 118.432 119.102 -0.670 17849 8564 1 13 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.096 -0.022 17849 8565 1 13 . 1 1 47 47 GLU C C 47 180.222 180.222 178.860 1.362 17849 8566 1 13 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.214 -0.005 17849 8567 1 13 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.314 0.571 17849 8568 1 13 . 1 1 47 47 GLU H H 47 7.759 7.759 8.385 -0.626 17849 8569 1 13 . 1 1 48 48 VAL N N 48 120.023 120.023 119.300 0.723 17849 8570 1 13 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.817 -0.319 17849 8571 1 13 . 1 1 48 48 VAL C C 48 177.380 177.380 177.619 -0.239 17849 8572 1 13 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.752 1.506 17849 8573 1 13 . 1 1 48 48 VAL CB C 48 31.361 31.361 30.999 0.362 17849 8574 1 13 . 1 1 48 48 VAL H H 48 8.174 8.174 8.635 -0.461 17849 8575 1 13 . 1 1 49 49 ASN N N 49 118.475 118.475 117.180 1.295 17849 8576 1 13 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.509 -0.104 17849 8577 1 13 . 1 1 49 49 ASN C C 49 177.352 177.352 176.077 1.275 17849 8578 1 13 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.128 0.582 17849 8579 1 13 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.166 0.104 17849 8580 1 13 . 1 1 49 49 ASN H H 49 8.208 8.208 7.751 0.457 17849 8581 1 13 . 1 1 50 50 ASP N N 50 120.147 120.147 120.391 -0.244 17849 8582 1 13 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.556 -0.074 17849 8583 1 13 . 1 1 50 50 ASP C C 50 178.973 178.973 177.934 1.039 17849 8584 1 13 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.501 0.939 17849 8585 1 13 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.415 -1.235 17849 8586 1 13 . 1 1 50 50 ASP H H 50 8.400 8.400 7.296 1.104 17849 8587 1 13 . 1 1 51 51 LEU N N 51 121.706 121.706 120.840 0.866 17849 8588 1 13 . 1 1 51 51 LEU HA H 51 4.108 4.108 3.991 0.117 17849 8589 1 13 . 1 1 51 51 LEU C C 51 178.796 178.796 179.678 -0.882 17849 8590 1 13 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.924 0.208 17849 8591 1 13 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.919 -0.029 17849 8592 1 13 . 1 1 51 51 LEU H H 51 7.830 7.830 7.531 0.299 17849 8593 1 13 . 1 1 52 52 MET N N 52 117.267 117.267 114.985 2.282 17849 8594 1 13 . 1 1 52 52 MET HA H 52 4.145 4.145 4.230 -0.085 17849 8595 1 13 . 1 1 52 52 MET C C 52 178.260 178.260 178.535 -0.275 17849 8596 1 13 . 1 1 52 52 MET CA C 52 57.418 57.418 57.225 0.193 17849 8597 1 13 . 1 1 52 52 MET CB C 52 30.089 30.089 31.117 -1.028 17849 8598 1 13 . 1 1 52 52 MET H H 52 8.601 8.601 8.792 -0.191 17849 8599 1 13 . 1 1 53 53 ASN N N 53 115.368 115.368 118.313 -2.945 17849 8600 1 13 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.405 0.168 17849 8601 1 13 . 1 1 53 53 ASN C C 53 176.890 176.890 176.576 0.314 17849 8602 1 13 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.415 -1.083 17849 8603 1 13 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.505 -0.352 17849 8604 1 13 . 1 1 53 53 ASN H H 53 8.239 8.239 7.959 0.280 17849 8605 1 13 . 1 1 54 54 GLU N N 54 117.437 117.437 117.599 -0.162 17849 8606 1 13 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.064 0.186 17849 8607 1 13 . 1 1 54 54 GLU C C 54 177.019 177.019 179.017 -1.998 17849 8608 1 13 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.877 -1.190 17849 8609 1 13 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.849 0.244 17849 8610 1 13 . 1 1 54 54 GLU H H 54 7.625 7.625 7.574 0.051 17849 8611 1 13 . 1 1 55 55 ILE N N 55 117.098 117.098 117.322 -0.224 17849 8612 1 13 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.797 0.104 17849 8613 1 13 . 1 1 55 55 ILE C C 55 176.027 176.027 176.118 -0.091 17849 8614 1 13 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.939 -1.302 17849 8615 1 13 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.035 2.002 17849 8616 1 13 . 1 1 55 55 ILE H H 55 7.496 7.496 7.378 0.118 17849 8617 1 13 . 1 1 56 56 ASP N N 56 118.367 118.367 119.416 -1.049 17849 8618 1 13 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.632 -0.215 17849 8619 1 13 . 1 1 56 56 ASP C C 56 175.761 175.761 176.305 -0.544 17849 8620 1 13 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.327 0.081 17849 8621 1 13 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.490 -0.257 17849 8622 1 13 . 1 1 56 56 ASP H H 56 8.329 8.329 7.905 0.424 17849 8623 1 13 . 1 1 57 57 VAL N N 57 126.262 126.262 122.927 3.335 17849 8624 1 13 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.019 -0.013 17849 8625 1 13 . 1 1 57 57 VAL C C 57 177.253 177.253 176.780 0.473 17849 8626 1 13 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.176 1.049 17849 8627 1 13 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.264 0.922 17849 8628 1 13 . 1 1 57 57 VAL H H 57 8.116 8.116 8.349 -0.233 17849 8629 1 13 . 1 1 58 58 ASP N N 58 116.896 116.896 118.486 -1.590 17849 8630 1 13 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.624 -0.052 17849 8631 1 13 . 1 1 58 58 ASP C C 58 177.670 177.670 176.838 0.832 17849 8632 1 13 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.938 -0.133 17849 8633 1 13 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.438 -1.445 17849 8634 1 13 . 1 1 58 58 ASP H H 58 8.356 8.356 8.167 0.189 17849 8635 1 13 . 1 1 59 59 GLY N N 59 107.989 107.989 108.655 -0.666 17849 8636 1 13 . 1 1 59 59 GLY C C 59 174.661 174.661 174.849 -0.188 17849 8637 1 13 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.295 1.784 17849 8638 1 13 . 1 1 59 59 GLY H H 59 7.622 7.622 8.195 -0.573 17849 8639 1 13 . 1 1 60 60 ASN N N 60 118.703 118.703 117.804 0.899 17849 8640 1 13 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.319 0.223 17849 8641 1 13 . 1 1 60 60 ASN C C 60 175.787 175.787 174.761 1.026 17849 8642 1 13 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.566 -0.284 17849 8643 1 13 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.913 -1.729 17849 8644 1 13 . 1 1 60 60 ASN H H 60 8.096 8.096 8.210 -0.114 17849 8645 1 13 . 1 1 61 61 HIS N N 61 117.475 117.475 112.134 5.341 17849 8646 1 13 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.453 -0.585 17849 8647 1 13 . 1 1 61 61 HIS C C 61 172.407 172.407 173.441 -1.034 17849 8648 1 13 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.119 -0.691 17849 8649 1 13 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.715 0.258 17849 8650 1 13 . 1 1 61 61 HIS H H 61 9.998 9.998 8.505 1.493 17849 8651 1 13 . 1 1 62 62 GLN N N 62 112.629 112.629 116.539 -3.910 17849 8652 1 13 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.320 -0.511 17849 8653 1 13 . 1 1 62 62 GLN C C 62 174.654 174.654 174.722 -0.068 17849 8654 1 13 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.519 -0.711 17849 8655 1 13 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.655 -0.530 17849 8656 1 13 . 1 1 62 62 GLN H H 62 7.541 7.541 8.809 -1.268 17849 8657 1 13 . 1 1 63 63 ILE N N 63 123.800 123.800 125.520 -1.720 17849 8658 1 13 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.604 0.442 17849 8659 1 13 . 1 1 63 63 ILE C C 63 176.626 176.626 176.173 0.453 17849 8660 1 13 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.351 1.542 17849 8661 1 13 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.263 1.917 17849 8662 1 13 . 1 1 63 63 ILE H H 63 9.312 9.312 8.865 0.447 17849 8663 1 13 . 1 1 64 64 GLU N N 64 128.941 128.941 128.117 0.824 17849 8664 1 13 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.762 0.214 17849 8665 1 13 . 1 1 64 64 GLU C C 64 178.001 178.001 177.629 0.372 17849 8666 1 13 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.614 2.106 17849 8667 1 13 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.242 -1.014 17849 8668 1 13 . 1 1 64 64 GLU H H 64 8.846 8.846 8.609 0.237 17849 8669 1 13 . 1 1 65 65 PHE N N 65 124.119 124.119 123.743 0.376 17849 8670 1 13 . 1 1 65 65 PHE HA H 65 3.526 3.526 3.773 -0.247 17849 8671 1 13 . 1 1 65 65 PHE C C 65 176.981 176.981 176.494 0.487 17849 8672 1 13 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.171 1.093 17849 8673 1 13 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.164 -1.340 17849 8674 1 13 . 1 1 65 65 PHE H H 65 9.488 9.488 9.212 0.276 17849 8675 1 13 . 1 1 66 66 SER N N 66 112.445 112.445 113.587 -1.142 17849 8676 1 13 . 1 1 66 66 SER HA H 66 3.667 3.667 4.222 -0.555 17849 8677 1 13 . 1 1 66 66 SER C C 66 177.385 177.385 176.095 1.290 17849 8678 1 13 . 1 1 66 66 SER CA C 66 61.503 61.503 60.879 0.624 17849 8679 1 13 . 1 1 66 66 SER CB C 66 61.285 61.285 63.073 -1.788 17849 8680 1 13 . 1 1 66 66 SER H H 66 8.972 8.972 7.954 1.018 17849 8681 1 13 . 1 1 67 67 GLU N N 67 122.775 122.775 123.009 -0.234 17849 8682 1 13 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.014 0.106 17849 8683 1 13 . 1 1 67 67 GLU C C 67 178.567 178.567 178.555 0.012 17849 8684 1 13 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.137 -1.294 17849 8685 1 13 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.708 -0.459 17849 8686 1 13 . 1 1 67 67 GLU H H 67 6.799 6.799 7.757 -0.958 17849 8687 1 13 . 1 1 68 68 PHE N N 68 123.231 123.231 120.348 2.883 17849 8688 1 13 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.125 -0.294 17849 8689 1 13 . 1 1 68 68 PHE C C 68 175.936 175.936 177.434 -1.498 17849 8690 1 13 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.185 -0.069 17849 8691 1 13 . 1 1 68 68 PHE CB C 68 40.215 40.215 38.983 1.232 17849 8692 1 13 . 1 1 68 68 PHE H H 68 8.176 8.176 8.789 -0.613 17849 8693 1 13 . 1 1 69 69 LEU N N 69 118.554 118.554 117.765 0.789 17849 8694 1 13 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.286 -0.120 17849 8695 1 13 . 1 1 69 69 LEU C C 69 179.074 179.074 177.427 1.647 17849 8696 1 13 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.044 0.088 17849 8697 1 13 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.179 0.087 17849 8698 1 13 . 1 1 69 69 LEU H H 69 8.626 8.626 7.362 1.264 17849 8699 1 13 . 1 1 70 70 ALA N N 70 120.878 120.878 120.327 0.551 17849 8700 1 13 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.097 -0.212 17849 8701 1 13 . 1 1 70 70 ALA C C 70 179.914 179.914 179.070 0.844 17849 8702 1 13 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.267 0.704 17849 8703 1 13 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.627 -0.850 17849 8704 1 13 . 1 1 70 70 ALA H H 70 7.322 7.322 7.384 -0.062 17849 8705 1 13 . 1 1 71 71 LEU N N 71 118.871 118.871 119.491 -0.620 17849 8706 1 13 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.932 -0.004 17849 8707 1 13 . 1 1 71 71 LEU C C 71 178.009 178.009 177.746 0.263 17849 8708 1 13 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.299 0.445 17849 8709 1 13 . 1 1 71 71 LEU CB C 71 41.412 41.412 40.814 0.598 17849 8710 1 13 . 1 1 71 71 LEU H H 71 7.219 7.219 7.781 -0.562 17849 8711 1 13 . 1 1 72 72 MET N N 72 113.480 113.480 115.948 -2.468 17849 8712 1 13 . 1 1 72 72 MET HA H 72 4.165 4.165 4.099 0.066 17849 8713 1 13 . 1 1 72 72 MET CA C 72 55.413 55.413 57.492 -2.079 17849 8714 1 13 . 1 1 72 72 MET CB C 72 31.199 31.199 32.349 -1.150 17849 8715 1 13 . 1 1 72 72 MET H H 72 7.486 7.486 7.223 0.263 17849 8716 1 13 . 1 1 73 73 SER HA H 73 4.337 4.337 4.281 0.056 17849 8717 1 13 . 1 1 73 73 SER C C 73 174.241 174.241 175.634 -1.393 17849 8718 1 13 . 1 1 73 73 SER CA C 73 59.132 59.132 58.719 0.413 17849 8719 1 13 . 1 1 73 73 SER CB C 73 63.649 63.649 63.136 0.513 17849 8720 1 13 . 1 1 73 73 SER H H 73 7.699 7.699 7.162 0.537 17849 8721 1 13 . 1 1 74 74 ARG N N 74 121.213 121.213 120.065 1.148 17849 8722 1 13 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.818 0.393 17849 8723 1 13 . 1 1 74 74 ARG C C 74 175.638 175.638 176.397 -0.759 17849 8724 1 13 . 1 1 74 74 ARG CA C 74 56.850 56.850 59.464 -2.614 17849 8725 1 13 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.060 0.612 17849 8726 1 13 . 1 1 74 74 ARG H H 74 7.400 7.400 7.351 0.049 17849 8727 1 13 . 1 1 75 75 GLN N N 75 118.914 118.914 116.385 2.529 17849 8728 1 13 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.549 1.766 17849 8729 1 13 . 1 1 75 75 GLN H H 75 8.090 8.090 7.846 0.243 17849 8730 1 13 . 1 1 77 77 LYS HA H 77 4.387 4.387 3.961 0.426 17849 8731 1 13 . 1 1 77 77 LYS C C 77 176.410 176.410 177.438 -1.028 17849 8732 1 13 . 1 1 77 77 LYS CA C 77 56.042 56.042 58.970 -2.928 17849 8733 1 13 . 1 1 77 77 LYS CB C 77 33.157 33.157 31.867 1.290 17849 8734 1 13 . 1 1 78 78 SER N N 78 116.257 116.257 113.564 2.693 17849 8735 1 13 . 1 1 78 78 SER HA H 78 4.422 4.422 4.463 -0.041 17849 8736 1 13 . 1 1 78 78 SER C C 78 174.436 174.436 174.444 -0.008 17849 8737 1 13 . 1 1 78 78 SER CA C 78 58.366 58.366 56.398 1.968 17849 8738 1 13 . 1 1 78 78 SER CB C 78 63.855 63.855 61.756 2.099 17849 8739 1 13 . 1 1 78 78 SER H H 78 8.332 8.332 8.108 0.224 17849 8740 1 13 . 1 1 79 79 ASN N N 79 120.267 120.267 122.071 -1.804 17849 8741 1 13 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.546 0.181 17849 8742 1 13 . 1 1 79 79 ASN C C 79 174.966 174.966 176.080 -1.114 17849 8743 1 13 . 1 1 79 79 ASN CA C 79 53.467 53.467 55.237 -1.770 17849 8744 1 13 . 1 1 79 79 ASN CB C 79 38.869 38.869 38.571 0.298 17849 8745 1 13 . 1 1 79 79 ASN H H 79 8.548 8.548 7.714 0.834 17849 8746 1 13 . 1 1 80 80 ASP N N 80 119.659 119.659 118.390 1.269 17849 8747 1 13 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.424 0.193 17849 8748 1 13 . 1 1 80 80 ASP C C 80 176.412 176.412 174.576 1.836 17849 8749 1 13 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.468 -0.758 17849 8750 1 13 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.492 0.731 17849 8751 1 13 . 1 1 80 80 ASP H H 80 8.325 8.325 8.627 -0.302 17849 8752 1 13 . 1 1 81 81 SER N N 81 115.425 115.425 111.543 3.882 17849 8753 1 13 . 1 1 81 81 SER HA H 81 4.414 4.414 4.497 -0.083 17849 8754 1 13 . 1 1 81 81 SER C C 81 174.733 174.733 172.648 2.085 17849 8755 1 13 . 1 1 81 81 SER CA C 81 59.183 59.183 57.327 1.856 17849 8756 1 13 . 1 1 81 81 SER CB C 81 63.784 63.784 64.850 -1.066 17849 8757 1 13 . 1 1 81 81 SER H H 81 8.256 8.256 7.698 0.558 17849 8758 1 13 . 1 1 82 82 GLU N N 82 121.456 121.456 122.338 -0.882 17849 8759 1 13 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.184 0.139 17849 8760 1 13 . 1 1 82 82 GLU C C 82 176.385 176.385 176.455 -0.070 17849 8761 1 13 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.460 -0.732 17849 8762 1 13 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.878 -0.006 17849 8763 1 13 . 1 1 82 82 GLU H H 82 8.375 8.375 8.396 -0.021 17849 8764 1 13 . 1 1 83 83 GLN N N 83 120.069 120.069 122.026 -1.957 17849 8765 1 13 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.342 -0.037 17849 8766 1 13 . 1 1 83 83 GLN C C 83 176.054 176.054 176.840 -0.786 17849 8767 1 13 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.567 -0.420 17849 8768 1 13 . 1 1 83 83 GLN CB C 83 29.303 29.303 28.485 0.817 17849 8769 1 13 . 1 1 83 83 GLN H H 83 8.233 8.233 8.715 -0.482 17849 8770 1 13 . 1 1 84 84 GLU N N 84 122.390 122.390 120.242 2.148 17849 8771 1 13 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.331 -0.040 17849 8772 1 13 . 1 1 84 84 GLU C C 84 177.528 177.528 178.114 -0.586 17849 8773 1 13 . 1 1 84 84 GLU CA C 84 57.198 57.198 59.126 -1.928 17849 8774 1 13 . 1 1 84 84 GLU CB C 84 30.113 30.113 28.970 1.143 17849 8775 1 13 . 1 1 84 84 GLU H H 84 8.567 8.567 8.599 -0.032 17849 8776 1 13 . 1 1 85 85 LEU N N 85 122.788 122.788 120.262 2.526 17849 8777 1 13 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.091 0.104 17849 8778 1 13 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.798 -1.281 17849 8779 1 13 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.475 0.941 17849 8780 1 13 . 1 1 85 85 LEU H H 85 8.434 8.434 7.645 0.789 17849 8781 1 13 . 1 1 86 86 LEU N N 86 119.558 119.558 116.976 2.582 17849 8782 1 13 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.076 0.081 17849 8783 1 13 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.369 -1.250 17849 8784 1 13 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.173 0.385 17849 8785 1 13 . 1 1 86 86 LEU H H 86 8.037 8.037 7.373 0.664 17849 8786 1 13 . 1 1 87 87 GLU N N 87 121.323 121.323 117.386 3.937 17849 8787 1 13 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.106 -0.183 17849 8788 1 13 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.509 1.038 17849 8789 1 13 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.823 -0.480 17849 8790 1 13 . 1 1 87 87 GLU H H 87 8.192 8.192 7.579 0.613 17849 8791 1 13 . 1 1 88 88 ALA N N 88 119.942 119.942 121.643 -1.701 17849 8792 1 13 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.642 -0.566 17849 8793 1 13 . 1 1 88 88 ALA C C 88 178.281 178.281 178.551 -0.270 17849 8794 1 13 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.344 1.137 17849 8795 1 13 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.761 -0.951 17849 8796 1 13 . 1 1 88 88 ALA H H 88 8.363 8.363 7.704 0.659 17849 8797 1 13 . 1 1 89 89 PHE N N 89 111.807 111.807 116.759 -4.952 17849 8798 1 13 . 1 1 89 89 PHE HA H 89 4.489 4.489 3.932 0.557 17849 8799 1 13 . 1 1 89 89 PHE C C 89 176.632 176.632 175.797 0.835 17849 8800 1 13 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.774 1.704 17849 8801 1 13 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.486 0.155 17849 8802 1 13 . 1 1 89 89 PHE H H 89 7.855 7.855 8.038 -0.183 17849 8803 1 13 . 1 1 90 90 LYS N N 90 120.375 120.375 120.485 -0.110 17849 8804 1 13 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.248 -0.250 17849 8805 1 13 . 1 1 90 90 LYS C C 90 178.490 178.490 178.384 0.106 17849 8806 1 13 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.666 2.328 17849 8807 1 13 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.220 -0.306 17849 8808 1 13 . 1 1 90 90 LYS H H 90 7.957 7.957 7.700 0.257 17849 8809 1 13 . 1 1 91 91 VAL N N 91 116.643 116.643 120.848 -4.205 17849 8810 1 13 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.745 0.129 17849 8811 1 13 . 1 1 91 91 VAL C C 91 175.413 175.413 176.313 -0.900 17849 8812 1 13 . 1 1 91 91 VAL CA C 91 63.693 63.693 64.776 -1.083 17849 8813 1 13 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.490 -0.256 17849 8814 1 13 . 1 1 91 91 VAL H H 91 7.389 7.389 7.231 0.158 17849 8815 1 13 . 1 1 92 92 PHE N N 92 115.769 115.769 113.638 2.131 17849 8816 1 13 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.449 0.071 17849 8817 1 13 . 1 1 92 92 PHE CA C 92 59.175 59.175 56.795 2.380 17849 8818 1 13 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.533 1.701 17849 8819 1 13 . 1 1 92 92 PHE H H 92 7.534 7.534 7.093 0.441 17849 8820 1 13 . 1 1 93 93 ASP N N 93 115.397 115.397 120.448 -5.051 17849 8821 1 13 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.187 -0.329 17849 8822 1 13 . 1 1 93 93 ASP C C 93 177.421 177.421 176.868 0.553 17849 8823 1 13 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.934 -0.468 17849 8824 1 13 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.658 -1.678 17849 8825 1 13 . 1 1 93 93 ASP H H 93 7.543 7.543 7.840 -0.297 17849 8826 1 13 . 1 1 94 94 LYS N N 94 125.591 125.591 124.398 1.193 17849 8827 1 13 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.128 -0.049 17849 8828 1 13 . 1 1 94 94 LYS C C 94 177.856 177.856 178.061 -0.205 17849 8829 1 13 . 1 1 94 94 LYS CA C 94 57.930 57.930 58.161 -0.231 17849 8830 1 13 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.766 -0.372 17849 8831 1 13 . 1 1 94 94 LYS H H 94 7.873 7.873 8.171 -0.298 17849 8832 1 13 . 1 1 95 95 ASN N N 95 112.796 112.796 114.308 -1.512 17849 8833 1 13 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.583 0.214 17849 8834 1 13 . 1 1 95 95 ASN C C 95 176.619 176.619 176.308 0.311 17849 8835 1 13 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.517 -1.607 17849 8836 1 13 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.316 -1.040 17849 8837 1 13 . 1 1 95 95 ASN H H 95 8.272 8.272 8.307 -0.035 17849 8838 1 13 . 1 1 96 96 GLY N N 96 109.132 109.132 108.668 0.464 17849 8839 1 13 . 1 1 96 96 GLY C C 96 174.799 174.799 174.396 0.403 17849 8840 1 13 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.158 1.413 17849 8841 1 13 . 1 1 96 96 GLY H H 96 7.654 7.654 7.809 -0.155 17849 8842 1 13 . 1 1 97 97 ASP N N 97 118.796 118.796 120.970 -2.174 17849 8843 1 13 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.665 -0.135 17849 8844 1 13 . 1 1 97 97 ASP C C 97 177.137 177.137 177.473 -0.336 17849 8845 1 13 . 1 1 97 97 ASP CA C 97 53.392 53.392 54.339 -0.947 17849 8846 1 13 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.886 -1.497 17849 8847 1 13 . 1 1 97 97 ASP H H 97 8.090 8.090 8.688 -0.598 17849 8848 1 13 . 1 1 98 98 GLY N N 98 112.962 112.962 107.387 5.575 17849 8849 1 13 . 1 1 98 98 GLY C C 98 172.142 172.142 173.714 -1.572 17849 8850 1 13 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.360 0.364 17849 8851 1 13 . 1 1 98 98 GLY H H 98 10.329 10.329 8.234 2.095 17849 8852 1 13 . 1 1 99 99 LEU N N 99 119.691 119.691 121.922 -2.231 17849 8853 1 13 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.676 0.086 17849 8854 1 13 . 1 1 99 99 LEU C C 99 176.162 176.162 174.947 1.215 17849 8855 1 13 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.123 -1.299 17849 8856 1 13 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.085 -0.303 17849 8857 1 13 . 1 1 99 99 LEU H H 99 8.000 8.000 7.546 0.454 17849 8858 1 13 . 1 1 100 100 ILE N N 100 127.464 127.464 120.546 6.918 17849 8859 1 13 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.971 -0.297 17849 8860 1 13 . 1 1 100 100 ILE C C 100 175.006 175.006 175.215 -0.209 17849 8861 1 13 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.013 1.407 17849 8862 1 13 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.103 -2.292 17849 8863 1 13 . 1 1 100 100 ILE H H 100 9.491 9.491 8.232 1.259 17849 8864 1 13 . 1 1 101 101 SER N N 101 123.104 123.104 120.005 3.099 17849 8865 1 13 . 1 1 101 101 SER HA H 101 4.770 4.770 4.856 -0.086 17849 8866 1 13 . 1 1 101 101 SER C C 101 174.847 174.847 175.391 -0.544 17849 8867 1 13 . 1 1 101 101 SER CA C 101 55.854 55.854 56.497 -0.643 17849 8868 1 13 . 1 1 101 101 SER CB C 101 65.994 65.994 66.842 -0.848 17849 8869 1 13 . 1 1 101 101 SER H H 101 9.058 9.058 8.332 0.726 17849 8870 1 13 . 1 1 102 102 ALA N N 102 124.316 124.316 124.398 -0.082 17849 8871 1 13 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.437 -0.821 17849 8872 1 13 . 1 1 102 102 ALA C C 102 179.388 179.388 179.693 -0.305 17849 8873 1 13 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.676 0.048 17849 8874 1 13 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.247 -0.932 17849 8875 1 13 . 1 1 102 102 ALA H H 102 8.587 8.587 9.033 -0.446 17849 8876 1 13 . 1 1 103 103 ALA N N 103 118.346 118.346 120.246 -1.900 17849 8877 1 13 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.048 -0.048 17849 8878 1 13 . 1 1 103 103 ALA C C 103 181.188 181.188 179.305 1.883 17849 8879 1 13 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.779 0.279 17849 8880 1 13 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.070 0.319 17849 8881 1 13 . 1 1 103 103 ALA H H 103 8.266 8.266 8.496 -0.230 17849 8882 1 13 . 1 1 104 104 GLU N N 104 120.568 120.568 118.376 2.192 17849 8883 1 13 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.180 -0.124 17849 8884 1 13 . 1 1 104 104 GLU C C 104 178.762 178.762 178.751 0.011 17849 8885 1 13 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.848 1.120 17849 8886 1 13 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.947 -1.036 17849 8887 1 13 . 1 1 104 104 GLU H H 104 7.928 7.928 7.602 0.326 17849 8888 1 13 . 1 1 105 105 LEU N N 105 117.903 117.903 119.675 -1.772 17849 8889 1 13 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.018 0.011 17849 8890 1 13 . 1 1 105 105 LEU C C 105 178.497 178.497 178.091 0.406 17849 8891 1 13 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.568 0.885 17849 8892 1 13 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.270 0.923 17849 8893 1 13 . 1 1 105 105 LEU H H 105 7.926 7.926 8.234 -0.308 17849 8894 1 13 . 1 1 106 106 LYS N N 106 115.836 115.836 116.273 -0.437 17849 8895 1 13 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.360 -0.561 17849 8896 1 13 . 1 1 106 106 LYS C C 106 179.102 179.102 178.329 0.773 17849 8897 1 13 . 1 1 106 106 LYS CA C 106 60.172 60.172 57.612 2.560 17849 8898 1 13 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.758 -0.148 17849 8899 1 13 . 1 1 106 106 LYS H H 106 8.337 8.337 7.959 0.378 17849 8900 1 13 . 1 1 107 107 HIS N N 107 119.620 119.620 120.239 -0.619 17849 8901 1 13 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.506 -0.252 17849 8902 1 13 . 1 1 107 107 HIS C C 107 178.167 178.167 177.402 0.765 17849 8903 1 13 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.907 1.021 17849 8904 1 13 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.949 -0.365 17849 8905 1 13 . 1 1 107 107 HIS H H 107 8.502 8.502 8.078 0.424 17849 8906 1 13 . 1 1 108 108 VAL N N 108 118.595 118.595 118.162 0.433 17849 8907 1 13 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.816 -0.160 17849 8908 1 13 . 1 1 108 108 VAL C C 108 178.608 178.608 176.388 2.220 17849 8909 1 13 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.746 0.610 17849 8910 1 13 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.336 1.979 17849 8911 1 13 . 1 1 108 108 VAL H H 108 8.348 8.348 7.830 0.518 17849 8912 1 13 . 1 1 109 109 LEU N N 109 116.755 116.755 116.090 0.665 17849 8913 1 13 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.050 0.094 17849 8914 1 13 . 1 1 109 109 LEU C C 109 179.267 179.267 177.950 1.317 17849 8915 1 13 . 1 1 109 109 LEU CA C 109 57.454 57.454 56.327 1.127 17849 8916 1 13 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.262 0.841 17849 8917 1 13 . 1 1 109 109 LEU H H 109 8.251 8.251 7.209 1.042 17849 8918 1 13 . 1 1 110 110 THR N N 110 111.046 111.046 111.377 -0.331 17849 8919 1 13 . 1 1 110 110 THR HA H 110 4.256 4.256 4.264 -0.008 17849 8920 1 13 . 1 1 110 110 THR C C 110 175.897 175.897 175.362 0.535 17849 8921 1 13 . 1 1 110 110 THR CA C 110 64.465 64.465 62.931 1.534 17849 8922 1 13 . 1 1 110 110 THR CB C 110 69.431 69.431 69.348 0.083 17849 8923 1 13 . 1 1 110 110 THR H H 110 8.085 8.085 7.852 0.233 17849 8924 1 13 . 1 1 111 111 SER N N 111 117.074 117.074 117.829 -0.755 17849 8925 1 13 . 1 1 111 111 SER HA H 111 4.406 4.406 4.262 0.144 17849 8926 1 13 . 1 1 111 111 SER C C 111 175.051 175.051 175.450 -0.399 17849 8927 1 13 . 1 1 111 111 SER CA C 111 59.968 59.968 60.841 -0.873 17849 8928 1 13 . 1 1 111 111 SER CB C 111 63.391 63.391 63.609 -0.218 17849 8929 1 13 . 1 1 111 111 SER H H 111 7.681 7.681 7.566 0.115 17849 8930 1 13 . 1 1 112 112 ILE N N 112 119.783 119.783 114.188 5.595 17849 8931 1 13 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.805 0.286 17849 8932 1 13 . 1 1 112 112 ILE C C 112 177.040 177.040 174.738 2.302 17849 8933 1 13 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.892 0.632 17849 8934 1 13 . 1 1 112 112 ILE CB C 112 38.344 38.344 34.742 3.603 17849 8935 1 13 . 1 1 112 112 ILE H H 112 7.444 7.444 7.773 -0.329 17849 8936 1 13 . 1 1 113 113 GLY N N 113 110.432 110.432 108.606 1.826 17849 8937 1 13 . 1 1 113 113 GLY C C 113 174.442 174.442 174.206 0.236 17849 8938 1 13 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.423 1.220 17849 8939 1 13 . 1 1 113 113 GLY H H 113 8.148 8.148 7.475 0.673 17849 8940 1 13 . 1 1 114 114 GLU N N 114 120.374 120.374 123.030 -2.656 17849 8941 1 13 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.043 0.223 17849 8942 1 13 . 1 1 114 114 GLU C C 114 176.556 176.556 176.403 0.153 17849 8943 1 13 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.916 -0.143 17849 8944 1 13 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.483 -0.192 17849 8945 1 13 . 1 1 114 114 GLU H H 114 8.092 8.092 8.426 -0.334 17849 8946 1 13 . 1 1 115 115 LYS N N 115 121.383 121.383 121.406 -0.023 17849 8947 1 13 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.007 0.328 17849 8948 1 13 . 1 1 115 115 LYS C C 115 176.654 176.654 176.355 0.299 17849 8949 1 13 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.817 -0.518 17849 8950 1 13 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.331 0.508 17849 8951 1 13 . 1 1 115 115 LYS H H 115 8.221 8.221 8.346 -0.125 17849 8952 1 13 . 1 1 116 116 LEU N N 116 123.146 123.146 126.647 -3.501 17849 8953 1 13 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.428 -0.007 17849 8954 1 13 . 1 1 116 116 LEU C C 116 177.677 177.677 177.029 0.648 17849 8955 1 13 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.611 0.709 17849 8956 1 13 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.502 -1.193 17849 8957 1 13 . 1 1 116 116 LEU H H 116 8.265 8.265 8.127 0.138 17849 8958 1 13 . 1 1 117 117 THR N N 117 113.859 113.859 113.798 0.061 17849 8959 1 13 . 1 1 117 117 THR HA H 117 4.337 4.337 4.143 0.194 17849 8960 1 13 . 1 1 117 117 THR C C 117 174.535 174.535 175.596 -1.061 17849 8961 1 13 . 1 1 117 117 THR CA C 117 61.824 61.824 63.285 -1.461 17849 8962 1 13 . 1 1 117 117 THR CB C 117 70.096 70.096 69.528 0.568 17849 8963 1 13 . 1 1 117 117 THR H H 117 8.182 8.182 8.171 0.011 17849 8964 1 13 . 1 1 118 118 ASP N N 118 122.049 122.049 126.846 -4.797 17849 8965 1 13 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.571 -0.038 17849 8966 1 13 . 1 1 118 118 ASP C C 118 176.728 176.728 177.494 -0.766 17849 8967 1 13 . 1 1 118 118 ASP CA C 118 55.218 55.218 57.090 -1.872 17849 8968 1 13 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.711 0.141 17849 8969 1 13 . 1 1 118 118 ASP H H 118 8.367 8.367 8.783 -0.416 17849 8970 1 13 . 1 1 119 119 ALA N N 119 123.432 123.432 119.761 3.671 17849 8971 1 13 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.238 -0.019 17849 8972 1 13 . 1 1 119 119 ALA C C 119 178.486 178.486 178.093 0.393 17849 8973 1 13 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.181 0.252 17849 8974 1 13 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.149 0.926 17849 8975 1 13 . 1 1 119 119 ALA H H 119 8.206 8.206 7.941 0.265 17849 8976 1 13 . 1 1 120 120 GLU N N 120 118.592 118.592 118.483 0.109 17849 8977 1 13 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.037 0.145 17849 8978 1 13 . 1 1 120 120 GLU C C 120 177.133 177.133 178.122 -0.989 17849 8979 1 13 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.920 -1.815 17849 8980 1 13 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.380 0.672 17849 8981 1 13 . 1 1 120 120 GLU H H 120 8.187 8.187 7.682 0.505 17849 8982 1 13 . 1 1 121 121 LEU N N 121 121.427 121.427 112.435 8.992 17849 8983 1 13 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.707 -0.503 17849 8984 1 13 . 1 1 121 121 LEU C C 121 177.710 177.710 177.885 -0.175 17849 8985 1 13 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.882 -0.130 17849 8986 1 13 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.697 -0.439 17849 8987 1 13 . 1 1 121 121 LEU H H 121 8.020 8.020 7.380 0.640 17849 8988 1 13 . 1 1 122 122 GLU N N 122 119.850 119.850 119.858 -0.008 17849 8989 1 13 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.110 0.017 17849 8990 1 13 . 1 1 122 122 GLU C C 122 176.518 176.518 175.245 1.273 17849 8991 1 13 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.288 -0.274 17849 8992 1 13 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.404 1.652 17849 8993 1 13 . 1 1 122 122 GLU H H 122 8.118 8.118 8.024 0.094 17849 8994 1 13 . 1 1 123 123 HIS N N 123 118.817 118.817 120.494 -1.677 17849 8995 1 13 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.568 0.691 17849 8996 1 13 . 1 1 123 123 HIS H H 123 8.106 8.106 8.057 0.049 17849 8997 1 14 . 1 1 2 2 SER HA H 2 4.507 4.507 4.595 -0.088 17849 8998 1 14 . 1 1 2 2 SER CA C 2 58.342 58.342 59.034 -0.692 17849 8999 1 14 . 1 1 2 2 SER CB C 2 63.883 63.883 63.124 0.759 17849 9000 1 14 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.790 -0.026 17849 9001 1 14 . 1 1 3 3 ASN C C 3 174.784 174.784 173.374 1.410 17849 9002 1 14 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.322 0.803 17849 9003 1 14 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.984 -1.091 17849 9004 1 14 . 1 1 4 4 LEU N N 4 121.466 121.466 120.691 0.775 17849 9005 1 14 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.671 0.029 17849 9006 1 14 . 1 1 4 4 LEU C C 4 177.665 177.665 176.930 0.735 17849 9007 1 14 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.490 -0.978 17849 9008 1 14 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.599 1.040 17849 9009 1 14 . 1 1 4 4 LEU H H 4 8.097 8.097 8.566 -0.469 17849 9010 1 14 . 1 1 5 5 THR N N 5 112.990 112.990 112.536 0.454 17849 9011 1 14 . 1 1 5 5 THR HA H 5 4.481 4.481 4.668 -0.187 17849 9012 1 14 . 1 1 5 5 THR C C 5 175.474 175.474 175.506 -0.032 17849 9013 1 14 . 1 1 5 5 THR CA C 5 60.528 60.528 60.088 0.440 17849 9014 1 14 . 1 1 5 5 THR CB C 5 71.244 71.244 71.438 -0.194 17849 9015 1 14 . 1 1 5 5 THR H H 5 8.778 8.778 7.530 1.248 17849 9016 1 14 . 1 1 6 6 GLU N N 6 120.343 120.343 119.130 1.213 17849 9017 1 14 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.966 0.036 17849 9018 1 14 . 1 1 6 6 GLU C C 6 179.568 179.568 178.483 1.085 17849 9019 1 14 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.884 0.292 17849 9020 1 14 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.148 0.076 17849 9021 1 14 . 1 1 6 6 GLU H H 6 9.078 9.078 9.015 0.063 17849 9022 1 14 . 1 1 7 7 GLU N N 7 119.544 119.544 120.537 -0.993 17849 9023 1 14 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.072 0.039 17849 9024 1 14 . 1 1 7 7 GLU C C 7 179.170 179.170 178.855 0.315 17849 9025 1 14 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.088 0.949 17849 9026 1 14 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.018 0.099 17849 9027 1 14 . 1 1 7 7 GLU H H 7 8.820 8.820 7.617 1.203 17849 9028 1 14 . 1 1 8 8 GLN N N 8 119.824 119.824 119.022 0.802 17849 9029 1 14 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.707 0.457 17849 9030 1 14 . 1 1 8 8 GLN C C 8 179.652 179.652 178.590 1.062 17849 9031 1 14 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.666 0.086 17849 9032 1 14 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.536 1.203 17849 9033 1 14 . 1 1 8 8 GLN H H 8 7.812 7.812 7.600 0.212 17849 9034 1 14 . 1 1 9 9 ILE N N 9 120.978 120.978 119.247 1.731 17849 9035 1 14 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.970 -0.118 17849 9036 1 14 . 1 1 9 9 ILE C C 9 177.899 177.899 178.016 -0.117 17849 9037 1 14 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.346 1.230 17849 9038 1 14 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.910 0.079 17849 9039 1 14 . 1 1 9 9 ILE H H 9 8.634 8.634 8.637 -0.003 17849 9040 1 14 . 1 1 10 10 ALA N N 10 121.528 121.528 121.405 0.123 17849 9041 1 14 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.136 -0.030 17849 9042 1 14 . 1 1 10 10 ALA C C 10 180.886 180.886 179.711 1.175 17849 9043 1 14 . 1 1 10 10 ALA CA C 10 55.418 55.418 54.959 0.459 17849 9044 1 14 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.958 -0.183 17849 9045 1 14 . 1 1 10 10 ALA H H 10 8.142 8.142 7.881 0.261 17849 9046 1 14 . 1 1 11 11 GLU N N 11 118.807 118.807 118.745 0.062 17849 9047 1 14 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.176 0.038 17849 9048 1 14 . 1 1 11 11 GLU C C 11 180.292 180.292 178.894 1.398 17849 9049 1 14 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.883 0.481 17849 9050 1 14 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.666 0.122 17849 9051 1 14 . 1 1 11 11 GLU H H 11 7.810 7.810 8.211 -0.401 17849 9052 1 14 . 1 1 12 12 PHE N N 12 118.671 118.671 119.349 -0.678 17849 9053 1 14 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.575 0.072 17849 9054 1 14 . 1 1 12 12 PHE C C 12 179.032 179.032 178.250 0.782 17849 9055 1 14 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.936 3.224 17849 9056 1 14 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.222 0.793 17849 9057 1 14 . 1 1 12 12 PHE H H 12 8.432 8.432 8.025 0.407 17849 9058 1 14 . 1 1 13 13 LYS N N 13 123.536 123.536 119.533 4.003 17849 9059 1 14 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.697 0.143 17849 9060 1 14 . 1 1 13 13 LYS C C 13 179.114 179.114 179.151 -0.037 17849 9061 1 14 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.138 -0.050 17849 9062 1 14 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.028 -0.376 17849 9063 1 14 . 1 1 13 13 LYS H H 13 8.981 8.981 8.247 0.734 17849 9064 1 14 . 1 1 14 14 GLU N N 14 119.691 119.691 118.727 0.964 17849 9065 1 14 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.340 -0.243 17849 9066 1 14 . 1 1 14 14 GLU C C 14 179.285 179.285 178.652 0.633 17849 9067 1 14 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.386 0.859 17849 9068 1 14 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.918 -0.277 17849 9069 1 14 . 1 1 14 14 GLU H H 14 7.737 7.737 7.745 -0.008 17849 9070 1 14 . 1 1 15 15 ALA N N 15 120.127 120.127 123.140 -3.013 17849 9071 1 14 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.243 -0.076 17849 9072 1 14 . 1 1 15 15 ALA C C 15 178.607 178.607 179.177 -0.570 17849 9073 1 14 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.162 -0.103 17849 9074 1 14 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.711 0.420 17849 9075 1 14 . 1 1 15 15 ALA H H 15 7.747 7.747 7.937 -0.190 17849 9076 1 14 . 1 1 16 16 PHE N N 16 119.058 119.058 118.343 0.715 17849 9077 1 14 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.836 -0.529 17849 9078 1 14 . 1 1 16 16 PHE C C 16 177.236 177.236 176.690 0.546 17849 9079 1 14 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.002 1.703 17849 9080 1 14 . 1 1 16 16 PHE CB C 16 39.752 39.752 38.985 0.767 17849 9081 1 14 . 1 1 16 16 PHE H H 16 8.908 8.908 8.688 0.220 17849 9082 1 14 . 1 1 17 17 ALA N N 17 119.352 119.352 121.993 -2.641 17849 9083 1 14 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.202 -0.079 17849 9084 1 14 . 1 1 17 17 ALA C C 17 178.680 178.680 178.954 -0.274 17849 9085 1 14 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.810 -0.271 17849 9086 1 14 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.212 0.003 17849 9087 1 14 . 1 1 17 17 ALA H H 17 7.877 7.877 7.553 0.324 17849 9088 1 14 . 1 1 18 18 LEU N N 18 115.281 115.281 117.293 -2.012 17849 9089 1 14 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.054 0.001 17849 9090 1 14 . 1 1 18 18 LEU C C 18 178.393 178.393 177.954 0.439 17849 9091 1 14 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.425 -0.783 17849 9092 1 14 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.285 0.458 17849 9093 1 14 . 1 1 18 18 LEU H H 18 7.369 7.369 8.339 -0.970 17849 9094 1 14 . 1 1 19 19 PHE N N 19 115.719 115.719 114.583 1.136 17849 9095 1 14 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.376 -0.167 17849 9096 1 14 . 1 1 19 19 PHE C C 19 176.704 176.704 176.277 0.427 17849 9097 1 14 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.608 -0.375 17849 9098 1 14 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.138 1.532 17849 9099 1 14 . 1 1 19 19 PHE H H 19 7.468 7.468 8.011 -0.543 17849 9100 1 14 . 1 1 20 20 ASP N N 20 117.209 117.209 120.020 -2.811 17849 9101 1 14 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.539 -0.078 17849 9102 1 14 . 1 1 20 20 ASP C C 20 176.557 176.557 176.363 0.194 17849 9103 1 14 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.571 -3.326 17849 9104 1 14 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.884 -2.737 17849 9105 1 14 . 1 1 20 20 ASP H H 20 7.488 7.488 8.196 -0.708 17849 9106 1 14 . 1 1 21 21 LYS N N 21 124.086 124.086 125.460 -1.374 17849 9107 1 14 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.215 -0.217 17849 9108 1 14 . 1 1 21 21 LYS C C 21 177.844 177.844 177.441 0.403 17849 9109 1 14 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.115 0.193 17849 9110 1 14 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.806 -0.354 17849 9111 1 14 . 1 1 21 21 LYS H H 21 7.376 7.376 8.674 -1.298 17849 9112 1 14 . 1 1 22 22 ASP N N 22 114.097 114.097 115.270 -1.173 17849 9113 1 14 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.552 0.052 17849 9114 1 14 . 1 1 22 22 ASP C C 22 176.349 176.349 176.328 0.021 17849 9115 1 14 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.420 -0.717 17849 9116 1 14 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.619 -1.264 17849 9117 1 14 . 1 1 22 22 ASP H H 22 8.113 8.113 8.283 -0.170 17849 9118 1 14 . 1 1 23 23 ASN N N 23 115.562 115.562 118.517 -2.955 17849 9119 1 14 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.514 -0.119 17849 9120 1 14 . 1 1 23 23 ASN C C 23 174.864 174.864 174.836 0.028 17849 9121 1 14 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.421 0.979 17849 9122 1 14 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.474 0.450 17849 9123 1 14 . 1 1 23 23 ASN H H 23 8.048 8.048 8.605 -0.557 17849 9124 1 14 . 1 1 24 24 ASN N N 24 117.615 117.615 118.143 -0.528 17849 9125 1 14 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.731 0.104 17849 9126 1 14 . 1 1 24 24 ASN C C 24 177.445 177.445 176.257 1.188 17849 9127 1 14 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.407 -0.992 17849 9128 1 14 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.655 -1.174 17849 9129 1 14 . 1 1 24 24 ASN H H 24 8.517 8.517 8.933 -0.416 17849 9130 1 14 . 1 1 25 25 GLY N N 25 114.308 114.308 108.617 5.691 17849 9131 1 14 . 1 1 25 25 GLY C C 25 173.105 173.105 173.051 0.054 17849 9132 1 14 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.074 0.406 17849 9133 1 14 . 1 1 25 25 GLY H H 25 10.729 10.729 8.819 1.910 17849 9134 1 14 . 1 1 26 26 SER N N 26 113.267 113.267 116.271 -3.004 17849 9135 1 14 . 1 1 26 26 SER HA H 26 5.330 5.330 5.668 -0.338 17849 9136 1 14 . 1 1 26 26 SER C C 26 172.610 172.610 174.001 -1.391 17849 9137 1 14 . 1 1 26 26 SER CA C 26 57.375 57.375 56.373 1.002 17849 9138 1 14 . 1 1 26 26 SER CB C 26 66.504 66.504 65.066 1.438 17849 9139 1 14 . 1 1 26 26 SER H H 26 7.773 7.773 7.952 -0.179 17849 9140 1 14 . 1 1 27 27 ILE N N 27 127.124 127.124 125.733 1.391 17849 9141 1 14 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.684 0.204 17849 9142 1 14 . 1 1 27 27 ILE C C 27 175.876 175.876 175.852 0.024 17849 9143 1 14 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.294 -0.258 17849 9144 1 14 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.645 -1.749 17849 9145 1 14 . 1 1 27 27 ILE H H 27 9.848 9.848 8.556 1.292 17849 9146 1 14 . 1 1 28 28 SER N N 28 124.825 124.825 120.396 4.429 17849 9147 1 14 . 1 1 28 28 SER HA H 28 4.771 4.771 5.100 -0.329 17849 9148 1 14 . 1 1 28 28 SER C C 28 175.395 175.395 175.749 -0.354 17849 9149 1 14 . 1 1 28 28 SER CA C 28 56.680 56.680 56.331 0.349 17849 9150 1 14 . 1 1 28 28 SER CB C 28 66.154 66.154 65.861 0.293 17849 9151 1 14 . 1 1 28 28 SER H H 28 9.347 9.347 8.461 0.886 17849 9152 1 14 . 1 1 29 29 SER N N 29 116.882 116.882 120.879 -3.997 17849 9153 1 14 . 1 1 29 29 SER HA H 29 4.144 4.144 4.082 0.062 17849 9154 1 14 . 1 1 29 29 SER C C 29 176.516 176.516 176.202 0.314 17849 9155 1 14 . 1 1 29 29 SER CA C 29 62.634 62.634 62.086 0.548 17849 9156 1 14 . 1 1 29 29 SER CB C 29 62.227 62.227 62.877 -0.650 17849 9157 1 14 . 1 1 29 29 SER H H 29 9.604 9.604 9.104 0.500 17849 9158 1 14 . 1 1 30 30 SER N N 30 116.141 116.141 118.838 -2.697 17849 9159 1 14 . 1 1 30 30 SER HA H 30 4.327 4.327 4.109 0.218 17849 9160 1 14 . 1 1 30 30 SER C C 30 177.965 177.965 176.544 1.421 17849 9161 1 14 . 1 1 30 30 SER CA C 30 61.341 61.341 62.851 -1.510 17849 9162 1 14 . 1 1 30 30 SER CB C 30 62.429 62.429 62.870 -0.441 17849 9163 1 14 . 1 1 30 30 SER H H 30 8.184 8.184 8.605 -0.421 17849 9164 1 14 . 1 1 31 31 GLU N N 31 124.933 124.933 121.834 3.099 17849 9165 1 14 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.093 -0.002 17849 9166 1 14 . 1 1 31 31 GLU C C 31 179.355 179.355 179.098 0.257 17849 9167 1 14 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.194 0.248 17849 9168 1 14 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.358 -0.023 17849 9169 1 14 . 1 1 31 31 GLU H H 31 7.973 7.973 8.575 -0.602 17849 9170 1 14 . 1 1 32 32 LEU N N 32 120.778 120.778 120.246 0.532 17849 9171 1 14 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.139 0.028 17849 9172 1 14 . 1 1 32 32 LEU C C 32 178.364 178.364 178.556 -0.192 17849 9173 1 14 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.628 0.719 17849 9174 1 14 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.059 0.052 17849 9175 1 14 . 1 1 32 32 LEU H H 32 8.616 8.616 8.424 0.192 17849 9176 1 14 . 1 1 33 33 ALA N N 33 120.423 120.423 121.168 -0.745 17849 9177 1 14 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.911 -0.035 17849 9178 1 14 . 1 1 33 33 ALA C C 33 179.394 179.394 179.340 0.054 17849 9179 1 14 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.271 0.517 17849 9180 1 14 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.028 0.490 17849 9181 1 14 . 1 1 33 33 ALA H H 33 8.688 8.688 8.534 0.154 17849 9182 1 14 . 1 1 34 34 THR N N 34 114.299 114.299 114.582 -0.283 17849 9183 1 14 . 1 1 34 34 THR HA H 34 3.902 3.902 3.935 -0.033 17849 9184 1 14 . 1 1 34 34 THR C C 34 177.161 177.161 176.684 0.477 17849 9185 1 14 . 1 1 34 34 THR CA C 34 67.173 67.173 66.863 0.310 17849 9186 1 14 . 1 1 34 34 THR CB C 34 68.712 68.712 68.736 -0.024 17849 9187 1 14 . 1 1 34 34 THR H H 34 8.219 8.219 8.237 -0.018 17849 9188 1 14 . 1 1 35 35 VAL N N 35 122.638 122.638 120.671 1.967 17849 9189 1 14 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.732 -0.148 17849 9190 1 14 . 1 1 35 35 VAL C C 35 178.403 178.403 177.534 0.869 17849 9191 1 14 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.966 0.918 17849 9192 1 14 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.620 -0.259 17849 9193 1 14 . 1 1 35 35 VAL H H 35 7.791 7.791 7.792 -0.001 17849 9194 1 14 . 1 1 36 36 MET N N 36 117.307 117.307 119.402 -2.095 17849 9195 1 14 . 1 1 36 36 MET HA H 36 3.906 3.906 4.098 -0.192 17849 9196 1 14 . 1 1 36 36 MET C C 36 178.456 178.456 178.289 0.167 17849 9197 1 14 . 1 1 36 36 MET CA C 36 59.787 59.787 58.810 0.977 17849 9198 1 14 . 1 1 36 36 MET CB C 36 32.548 32.548 31.771 0.777 17849 9199 1 14 . 1 1 36 36 MET H H 36 8.308 8.308 7.988 0.320 17849 9200 1 14 . 1 1 37 37 ARG N N 37 118.384 118.384 117.365 1.019 17849 9201 1 14 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.311 0.446 17849 9202 1 14 . 1 1 37 37 ARG C C 37 181.371 181.371 178.166 3.205 17849 9203 1 14 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.659 0.228 17849 9204 1 14 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.466 0.632 17849 9205 1 14 . 1 1 37 37 ARG H H 37 8.634 8.634 8.476 0.158 17849 9206 1 14 . 1 1 38 38 SER N N 38 118.916 118.916 112.196 6.720 17849 9207 1 14 . 1 1 38 38 SER HA H 38 4.339 4.339 4.301 0.038 17849 9208 1 14 . 1 1 38 38 SER C C 38 174.705 174.705 175.532 -0.827 17849 9209 1 14 . 1 1 38 38 SER CA C 38 61.793 61.793 59.360 2.433 17849 9210 1 14 . 1 1 38 38 SER CB C 38 62.713 62.713 63.158 -0.445 17849 9211 1 14 . 1 1 38 38 SER H H 38 8.226 8.226 7.442 0.784 17849 9212 1 14 . 1 1 39 39 LEU N N 39 119.948 119.948 120.101 -0.153 17849 9213 1 14 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.978 0.318 17849 9214 1 14 . 1 1 39 39 LEU C C 39 176.723 176.723 177.462 -0.739 17849 9215 1 14 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.108 -2.548 17849 9216 1 14 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.475 -0.486 17849 9217 1 14 . 1 1 39 39 LEU H H 39 7.331 7.331 7.650 -0.319 17849 9218 1 14 . 1 1 40 40 GLY N N 40 105.997 105.997 102.212 3.785 17849 9219 1 14 . 1 1 40 40 GLY C C 40 174.405 174.405 173.984 0.421 17849 9220 1 14 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.888 0.300 17849 9221 1 14 . 1 1 40 40 GLY H H 40 7.889 7.889 7.948 -0.059 17849 9222 1 14 . 1 1 41 41 LEU N N 41 120.071 120.071 117.943 2.128 17849 9223 1 14 . 1 1 41 41 LEU HA H 41 4.486 4.486 5.060 -0.574 17849 9224 1 14 . 1 1 41 41 LEU C C 41 175.829 175.829 174.838 0.991 17849 9225 1 14 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.041 1.146 17849 9226 1 14 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.999 -1.426 17849 9227 1 14 . 1 1 41 41 LEU H H 41 7.592 7.592 7.539 0.053 17849 9228 1 14 . 1 1 42 42 SER N N 42 112.869 112.869 115.494 -2.625 17849 9229 1 14 . 1 1 42 42 SER HA H 42 4.797 4.797 4.861 -0.064 17849 9230 1 14 . 1 1 42 42 SER CA C 42 54.960 54.960 55.911 -0.951 17849 9231 1 14 . 1 1 42 42 SER CB C 42 63.177 63.177 63.734 -0.557 17849 9232 1 14 . 1 1 42 42 SER H H 42 8.761 8.761 8.436 0.325 17849 9233 1 14 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.517 0.191 17849 9234 1 14 . 1 1 43 43 PRO C C 43 177.533 177.533 175.969 1.564 17849 9235 1 14 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.418 -0.243 17849 9236 1 14 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.390 -0.516 17849 9237 1 14 . 1 1 44 44 SER N N 44 119.089 119.089 118.198 0.891 17849 9238 1 14 . 1 1 44 44 SER HA H 44 4.574 4.574 4.514 0.060 17849 9239 1 14 . 1 1 44 44 SER C C 44 174.803 174.803 175.835 -1.032 17849 9240 1 14 . 1 1 44 44 SER CA C 44 56.786 56.786 57.600 -0.814 17849 9241 1 14 . 1 1 44 44 SER CB C 44 65.387 65.387 64.556 0.831 17849 9242 1 14 . 1 1 44 44 SER H H 44 9.014 9.014 8.326 0.688 17849 9243 1 14 . 1 1 45 45 GLU N N 45 121.343 121.343 125.145 -3.802 17849 9244 1 14 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.848 0.096 17849 9245 1 14 . 1 1 45 45 GLU C C 45 178.978 178.978 178.272 0.706 17849 9246 1 14 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.338 -0.232 17849 9247 1 14 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.675 -0.372 17849 9248 1 14 . 1 1 45 45 GLU H H 45 8.925 8.925 8.989 -0.064 17849 9249 1 14 . 1 1 46 46 ALA N N 46 120.822 120.822 121.662 -0.840 17849 9250 1 14 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.131 0.015 17849 9251 1 14 . 1 1 46 46 ALA C C 46 179.782 179.782 179.435 0.347 17849 9252 1 14 . 1 1 46 46 ALA CA C 46 55.086 55.086 55.032 0.054 17849 9253 1 14 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.576 0.680 17849 9254 1 14 . 1 1 46 46 ALA H H 46 8.339 8.339 8.279 0.060 17849 9255 1 14 . 1 1 47 47 GLU N N 47 118.432 118.432 117.764 0.668 17849 9256 1 14 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.062 0.012 17849 9257 1 14 . 1 1 47 47 GLU C C 47 180.222 180.222 178.997 1.225 17849 9258 1 14 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.180 0.029 17849 9259 1 14 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.003 0.882 17849 9260 1 14 . 1 1 47 47 GLU H H 47 7.759 7.759 8.587 -0.828 17849 9261 1 14 . 1 1 48 48 VAL N N 48 120.023 120.023 119.270 0.753 17849 9262 1 14 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.656 -0.158 17849 9263 1 14 . 1 1 48 48 VAL C C 48 177.380 177.380 177.569 -0.189 17849 9264 1 14 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.999 1.259 17849 9265 1 14 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.350 0.011 17849 9266 1 14 . 1 1 48 48 VAL H H 48 8.174 8.174 8.370 -0.196 17849 9267 1 14 . 1 1 49 49 ASN N N 49 118.475 118.475 119.050 -0.575 17849 9268 1 14 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.388 0.017 17849 9269 1 14 . 1 1 49 49 ASN C C 49 177.352 177.352 177.237 0.115 17849 9270 1 14 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.694 0.016 17849 9271 1 14 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.336 -0.066 17849 9272 1 14 . 1 1 49 49 ASN H H 49 8.208 8.208 8.419 -0.211 17849 9273 1 14 . 1 1 50 50 ASP N N 50 120.147 120.147 120.716 -0.569 17849 9274 1 14 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.442 0.040 17849 9275 1 14 . 1 1 50 50 ASP C C 50 178.973 178.973 178.387 0.586 17849 9276 1 14 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.978 0.462 17849 9277 1 14 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.911 -0.731 17849 9278 1 14 . 1 1 50 50 ASP H H 50 8.400 8.400 7.762 0.638 17849 9279 1 14 . 1 1 51 51 LEU N N 51 121.706 121.706 119.011 2.695 17849 9280 1 14 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.140 -0.032 17849 9281 1 14 . 1 1 51 51 LEU C C 51 178.796 178.796 178.480 0.316 17849 9282 1 14 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.131 1.001 17849 9283 1 14 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.899 -0.009 17849 9284 1 14 . 1 1 51 51 LEU H H 51 7.830 7.830 8.122 -0.292 17849 9285 1 14 . 1 1 52 52 MET N N 52 117.267 117.267 117.692 -0.425 17849 9286 1 14 . 1 1 52 52 MET HA H 52 4.145 4.145 4.241 -0.096 17849 9287 1 14 . 1 1 52 52 MET C C 52 178.260 178.260 178.808 -0.548 17849 9288 1 14 . 1 1 52 52 MET CA C 52 57.418 57.418 57.050 0.368 17849 9289 1 14 . 1 1 52 52 MET CB C 52 30.089 30.089 31.129 -1.040 17849 9290 1 14 . 1 1 52 52 MET H H 52 8.601 8.601 8.688 -0.087 17849 9291 1 14 . 1 1 53 53 ASN N N 53 115.368 115.368 118.412 -3.044 17849 9292 1 14 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.465 0.108 17849 9293 1 14 . 1 1 53 53 ASN C C 53 176.890 176.890 176.726 0.164 17849 9294 1 14 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.137 -0.805 17849 9295 1 14 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.426 -0.272 17849 9296 1 14 . 1 1 53 53 ASN H H 53 8.239 8.239 8.174 0.065 17849 9297 1 14 . 1 1 54 54 GLU N N 54 117.437 117.437 118.258 -0.821 17849 9298 1 14 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.115 0.135 17849 9299 1 14 . 1 1 54 54 GLU C C 54 177.019 177.019 178.088 -1.069 17849 9300 1 14 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.448 -0.761 17849 9301 1 14 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.847 0.246 17849 9302 1 14 . 1 1 54 54 GLU H H 54 7.625 7.625 7.639 -0.014 17849 9303 1 14 . 1 1 55 55 ILE N N 55 117.098 117.098 116.912 0.186 17849 9304 1 14 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.785 0.116 17849 9305 1 14 . 1 1 55 55 ILE C C 55 176.027 176.027 176.252 -0.225 17849 9306 1 14 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.927 -1.290 17849 9307 1 14 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.079 1.957 17849 9308 1 14 . 1 1 55 55 ILE H H 55 7.496 7.496 7.434 0.062 17849 9309 1 14 . 1 1 56 56 ASP N N 56 118.367 118.367 119.937 -1.570 17849 9310 1 14 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.756 -0.339 17849 9311 1 14 . 1 1 56 56 ASP C C 56 175.761 175.761 176.122 -0.361 17849 9312 1 14 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.442 -0.035 17849 9313 1 14 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.466 -0.233 17849 9314 1 14 . 1 1 56 56 ASP H H 56 8.329 8.329 7.842 0.487 17849 9315 1 14 . 1 1 57 57 VAL N N 57 126.262 126.262 122.348 3.914 17849 9316 1 14 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.976 0.030 17849 9317 1 14 . 1 1 57 57 VAL C C 57 177.253 177.253 176.372 0.881 17849 9318 1 14 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.003 0.222 17849 9319 1 14 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.434 0.752 17849 9320 1 14 . 1 1 57 57 VAL H H 57 8.116 8.116 8.503 -0.387 17849 9321 1 14 . 1 1 58 58 ASP N N 58 116.896 116.896 118.562 -1.666 17849 9322 1 14 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.594 -0.022 17849 9323 1 14 . 1 1 58 58 ASP C C 58 177.670 177.670 176.577 1.093 17849 9324 1 14 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.932 -0.127 17849 9325 1 14 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.562 -1.569 17849 9326 1 14 . 1 1 58 58 ASP H H 58 8.356 8.356 8.034 0.322 17849 9327 1 14 . 1 1 59 59 GLY N N 59 107.989 107.989 108.709 -0.720 17849 9328 1 14 . 1 1 59 59 GLY C C 59 174.661 174.661 174.496 0.165 17849 9329 1 14 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.228 1.851 17849 9330 1 14 . 1 1 59 59 GLY H H 59 7.622 7.622 8.121 -0.499 17849 9331 1 14 . 1 1 60 60 ASN N N 60 118.703 118.703 118.570 0.133 17849 9332 1 14 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.550 -0.008 17849 9333 1 14 . 1 1 60 60 ASN C C 60 175.787 175.787 174.371 1.416 17849 9334 1 14 . 1 1 60 60 ASN CA C 60 52.283 52.283 51.944 0.339 17849 9335 1 14 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.921 -1.737 17849 9336 1 14 . 1 1 60 60 ASN H H 60 8.096 8.096 8.404 -0.308 17849 9337 1 14 . 1 1 61 61 HIS N N 61 117.475 117.475 113.488 3.987 17849 9338 1 14 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.243 -0.375 17849 9339 1 14 . 1 1 61 61 HIS C C 61 172.407 172.407 173.444 -1.037 17849 9340 1 14 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.458 -1.030 17849 9341 1 14 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.220 0.753 17849 9342 1 14 . 1 1 61 61 HIS H H 61 9.998 9.998 7.711 2.287 17849 9343 1 14 . 1 1 62 62 GLN N N 62 112.629 112.629 116.091 -3.462 17849 9344 1 14 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.284 -0.475 17849 9345 1 14 . 1 1 62 62 GLN C C 62 174.654 174.654 174.580 0.074 17849 9346 1 14 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.567 -0.759 17849 9347 1 14 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.731 -0.606 17849 9348 1 14 . 1 1 62 62 GLN H H 62 7.541 7.541 8.534 -0.993 17849 9349 1 14 . 1 1 63 63 ILE N N 63 123.800 123.800 125.645 -1.845 17849 9350 1 14 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.674 0.372 17849 9351 1 14 . 1 1 63 63 ILE C C 63 176.626 176.626 176.260 0.366 17849 9352 1 14 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.216 1.677 17849 9353 1 14 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.872 1.308 17849 9354 1 14 . 1 1 63 63 ILE H H 63 9.312 9.312 8.758 0.554 17849 9355 1 14 . 1 1 64 64 GLU N N 64 128.941 128.941 127.165 1.776 17849 9356 1 14 . 1 1 64 64 GLU HA H 64 4.976 4.976 5.175 -0.199 17849 9357 1 14 . 1 1 64 64 GLU C C 64 178.001 178.001 177.884 0.117 17849 9358 1 14 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.451 3.269 17849 9359 1 14 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.451 -1.223 17849 9360 1 14 . 1 1 64 64 GLU H H 64 8.846 8.846 8.799 0.047 17849 9361 1 14 . 1 1 65 65 PHE N N 65 124.119 124.119 124.191 -0.072 17849 9362 1 14 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.193 -0.667 17849 9363 1 14 . 1 1 65 65 PHE C C 65 176.981 176.981 176.643 0.338 17849 9364 1 14 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.453 0.811 17849 9365 1 14 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.130 -1.306 17849 9366 1 14 . 1 1 65 65 PHE H H 65 9.488 9.488 8.992 0.496 17849 9367 1 14 . 1 1 66 66 SER N N 66 112.445 112.445 114.575 -2.130 17849 9368 1 14 . 1 1 66 66 SER HA H 66 3.667 3.667 4.045 -0.378 17849 9369 1 14 . 1 1 66 66 SER C C 66 177.385 177.385 176.236 1.149 17849 9370 1 14 . 1 1 66 66 SER CA C 66 61.503 61.503 61.578 -0.075 17849 9371 1 14 . 1 1 66 66 SER CB C 66 61.285 61.285 62.653 -1.368 17849 9372 1 14 . 1 1 66 66 SER H H 66 8.972 8.972 8.341 0.631 17849 9373 1 14 . 1 1 67 67 GLU N N 67 122.775 122.775 122.038 0.737 17849 9374 1 14 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.961 0.159 17849 9375 1 14 . 1 1 67 67 GLU C C 67 178.567 178.567 178.702 -0.135 17849 9376 1 14 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.548 -1.705 17849 9377 1 14 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.485 -0.236 17849 9378 1 14 . 1 1 67 67 GLU H H 67 6.799 6.799 8.380 -1.581 17849 9379 1 14 . 1 1 68 68 PHE N N 68 123.231 123.231 119.072 4.159 17849 9380 1 14 . 1 1 68 68 PHE HA H 68 3.831 3.831 3.986 -0.155 17849 9381 1 14 . 1 1 68 68 PHE C C 68 175.936 175.936 177.121 -1.185 17849 9382 1 14 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.298 -0.182 17849 9383 1 14 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.059 1.155 17849 9384 1 14 . 1 1 68 68 PHE H H 68 8.176 8.176 8.462 -0.286 17849 9385 1 14 . 1 1 69 69 LEU N N 69 118.554 118.554 118.389 0.165 17849 9386 1 14 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.371 -0.205 17849 9387 1 14 . 1 1 69 69 LEU C C 69 179.074 179.074 178.663 0.411 17849 9388 1 14 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.222 -0.090 17849 9389 1 14 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.245 0.021 17849 9390 1 14 . 1 1 69 69 LEU H H 69 8.626 8.626 7.203 1.423 17849 9391 1 14 . 1 1 70 70 ALA N N 70 120.878 120.878 122.587 -1.709 17849 9392 1 14 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.869 0.016 17849 9393 1 14 . 1 1 70 70 ALA C C 70 179.914 179.914 179.437 0.477 17849 9394 1 14 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.679 0.291 17849 9395 1 14 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.055 -0.278 17849 9396 1 14 . 1 1 70 70 ALA H H 70 7.322 7.322 7.929 -0.607 17849 9397 1 14 . 1 1 71 71 LEU N N 71 118.871 118.871 116.158 2.713 17849 9398 1 14 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.590 0.338 17849 9399 1 14 . 1 1 71 71 LEU C C 71 178.009 178.009 179.134 -1.125 17849 9400 1 14 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.441 0.303 17849 9401 1 14 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.099 0.313 17849 9402 1 14 . 1 1 71 71 LEU H H 71 7.219 7.219 7.652 -0.433 17849 9403 1 14 . 1 1 72 72 MET N N 72 113.480 113.480 114.821 -1.341 17849 9404 1 14 . 1 1 72 72 MET HA H 72 4.165 4.165 4.234 -0.069 17849 9405 1 14 . 1 1 72 72 MET CA C 72 55.413 55.413 57.296 -1.883 17849 9406 1 14 . 1 1 72 72 MET CB C 72 31.199 31.199 33.279 -2.080 17849 9407 1 14 . 1 1 72 72 MET H H 72 7.486 7.486 7.938 -0.452 17849 9408 1 14 . 1 1 73 73 SER HA H 73 4.337 4.337 4.141 0.196 17849 9409 1 14 . 1 1 73 73 SER C C 73 174.241 174.241 175.266 -1.025 17849 9410 1 14 . 1 1 73 73 SER CA C 73 59.132 59.132 60.556 -1.424 17849 9411 1 14 . 1 1 73 73 SER CB C 73 63.649 63.649 63.140 0.509 17849 9412 1 14 . 1 1 73 73 SER H H 73 7.699 7.699 7.864 -0.165 17849 9413 1 14 . 1 1 74 74 ARG N N 74 121.213 121.213 118.363 2.850 17849 9414 1 14 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.211 -0.000 17849 9415 1 14 . 1 1 74 74 ARG C C 74 175.638 175.638 176.705 -1.067 17849 9416 1 14 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.018 -0.168 17849 9417 1 14 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.860 -0.188 17849 9418 1 14 . 1 1 74 74 ARG H H 74 7.400 7.400 7.373 0.027 17849 9419 1 14 . 1 1 75 75 GLN N N 75 118.914 118.914 120.490 -1.576 17849 9420 1 14 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.369 1.946 17849 9421 1 14 . 1 1 75 75 GLN H H 75 8.090 8.090 8.120 -0.030 17849 9422 1 14 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.167 0.220 17849 9423 1 14 . 1 1 77 77 LYS C C 77 176.410 176.410 175.739 0.671 17849 9424 1 14 . 1 1 77 77 LYS CA C 77 56.042 56.042 58.075 -2.033 17849 9425 1 14 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.714 0.443 17849 9426 1 14 . 1 1 78 78 SER N N 78 116.257 116.257 115.162 1.095 17849 9427 1 14 . 1 1 78 78 SER HA H 78 4.422 4.422 4.486 -0.064 17849 9428 1 14 . 1 1 78 78 SER C C 78 174.436 174.436 172.926 1.510 17849 9429 1 14 . 1 1 78 78 SER CA C 78 58.366 58.366 57.432 0.934 17849 9430 1 14 . 1 1 78 78 SER CB C 78 63.855 63.855 62.906 0.949 17849 9431 1 14 . 1 1 78 78 SER H H 78 8.332 8.332 7.693 0.639 17849 9432 1 14 . 1 1 79 79 ASN N N 79 120.267 120.267 124.371 -4.104 17849 9433 1 14 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.729 -0.002 17849 9434 1 14 . 1 1 79 79 ASN C C 79 174.966 174.966 173.443 1.523 17849 9435 1 14 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.860 -0.393 17849 9436 1 14 . 1 1 79 79 ASN CB C 79 38.869 38.869 40.152 -1.283 17849 9437 1 14 . 1 1 79 79 ASN H H 79 8.548 8.548 8.480 0.068 17849 9438 1 14 . 1 1 80 80 ASP N N 80 119.659 119.659 124.688 -5.029 17849 9439 1 14 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.790 -0.173 17849 9440 1 14 . 1 1 80 80 ASP C C 80 176.412 176.412 175.041 1.371 17849 9441 1 14 . 1 1 80 80 ASP CA C 80 54.710 54.710 53.981 0.729 17849 9442 1 14 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.916 1.308 17849 9443 1 14 . 1 1 80 80 ASP H H 80 8.325 8.325 8.573 -0.248 17849 9444 1 14 . 1 1 81 81 SER N N 81 115.425 115.425 114.136 1.289 17849 9445 1 14 . 1 1 81 81 SER HA H 81 4.414 4.414 4.553 -0.139 17849 9446 1 14 . 1 1 81 81 SER C C 81 174.733 174.733 172.778 1.955 17849 9447 1 14 . 1 1 81 81 SER CA C 81 59.183 59.183 56.831 2.352 17849 9448 1 14 . 1 1 81 81 SER CB C 81 63.784 63.784 65.188 -1.404 17849 9449 1 14 . 1 1 81 81 SER H H 81 8.256 8.256 7.798 0.458 17849 9450 1 14 . 1 1 82 82 GLU N N 82 121.456 121.456 121.139 0.317 17849 9451 1 14 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.102 0.221 17849 9452 1 14 . 1 1 82 82 GLU C C 82 176.385 176.385 176.827 -0.442 17849 9453 1 14 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.514 -0.786 17849 9454 1 14 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.079 -0.207 17849 9455 1 14 . 1 1 82 82 GLU H H 82 8.375 8.375 8.707 -0.332 17849 9456 1 14 . 1 1 83 83 GLN N N 83 120.069 120.069 124.846 -4.777 17849 9457 1 14 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.308 -0.003 17849 9458 1 14 . 1 1 83 83 GLN C C 83 176.054 176.054 177.259 -1.205 17849 9459 1 14 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.195 -1.048 17849 9460 1 14 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.343 -0.040 17849 9461 1 14 . 1 1 83 83 GLN H H 83 8.233 8.233 8.846 -0.613 17849 9462 1 14 . 1 1 84 84 GLU N N 84 122.390 122.390 121.079 1.311 17849 9463 1 14 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.102 0.189 17849 9464 1 14 . 1 1 84 84 GLU C C 84 177.528 177.528 177.688 -0.160 17849 9465 1 14 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.821 -1.623 17849 9466 1 14 . 1 1 84 84 GLU CB C 84 30.113 30.113 28.698 1.415 17849 9467 1 14 . 1 1 84 84 GLU H H 84 8.567 8.567 8.721 -0.154 17849 9468 1 14 . 1 1 85 85 LEU N N 85 122.788 122.788 120.558 2.230 17849 9469 1 14 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.157 0.038 17849 9470 1 14 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.026 -0.509 17849 9471 1 14 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.965 1.451 17849 9472 1 14 . 1 1 85 85 LEU H H 85 8.434 8.434 8.005 0.429 17849 9473 1 14 . 1 1 86 86 LEU N N 86 119.558 119.558 116.140 3.418 17849 9474 1 14 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.220 -0.063 17849 9475 1 14 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.108 -0.989 17849 9476 1 14 . 1 1 86 86 LEU CB C 86 41.558 41.558 40.519 1.039 17849 9477 1 14 . 1 1 86 86 LEU H H 86 8.037 8.037 7.670 0.367 17849 9478 1 14 . 1 1 87 87 GLU N N 87 121.323 121.323 117.497 3.826 17849 9479 1 14 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.255 -0.332 17849 9480 1 14 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.466 1.081 17849 9481 1 14 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.967 -0.624 17849 9482 1 14 . 1 1 87 87 GLU H H 87 8.192 8.192 8.256 -0.064 17849 9483 1 14 . 1 1 88 88 ALA N N 88 119.942 119.942 120.824 -0.882 17849 9484 1 14 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.335 -0.259 17849 9485 1 14 . 1 1 88 88 ALA C C 88 178.281 178.281 177.598 0.683 17849 9486 1 14 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.310 1.171 17849 9487 1 14 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.192 -0.382 17849 9488 1 14 . 1 1 88 88 ALA H H 88 8.363 8.363 7.566 0.797 17849 9489 1 14 . 1 1 89 89 PHE N N 89 111.807 111.807 115.764 -3.957 17849 9490 1 14 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.118 0.371 17849 9491 1 14 . 1 1 89 89 PHE C C 89 176.632 176.632 175.084 1.548 17849 9492 1 14 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.213 1.265 17849 9493 1 14 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.350 -0.708 17849 9494 1 14 . 1 1 89 89 PHE H H 89 7.855 7.855 7.455 0.400 17849 9495 1 14 . 1 1 90 90 LYS N N 90 120.375 120.375 121.457 -1.082 17849 9496 1 14 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.186 -0.188 17849 9497 1 14 . 1 1 90 90 LYS C C 90 178.490 178.490 177.983 0.507 17849 9498 1 14 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.268 1.726 17849 9499 1 14 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.533 -0.619 17849 9500 1 14 . 1 1 90 90 LYS H H 90 7.957 7.957 7.320 0.637 17849 9501 1 14 . 1 1 91 91 VAL N N 91 116.643 116.643 118.215 -1.572 17849 9502 1 14 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.887 -0.013 17849 9503 1 14 . 1 1 91 91 VAL C C 91 175.413 175.413 176.703 -1.290 17849 9504 1 14 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.357 -1.664 17849 9505 1 14 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.831 -0.597 17849 9506 1 14 . 1 1 91 91 VAL H H 91 7.389 7.389 8.060 -0.671 17849 9507 1 14 . 1 1 92 92 PHE N N 92 115.769 115.769 114.412 1.357 17849 9508 1 14 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.397 0.123 17849 9509 1 14 . 1 1 92 92 PHE CA C 92 59.175 59.175 57.516 1.659 17849 9510 1 14 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.674 1.560 17849 9511 1 14 . 1 1 92 92 PHE H H 92 7.534 7.534 7.365 0.169 17849 9512 1 14 . 1 1 93 93 ASP N N 93 115.397 115.397 119.848 -4.451 17849 9513 1 14 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.737 0.121 17849 9514 1 14 . 1 1 93 93 ASP C C 93 177.421 177.421 176.704 0.717 17849 9515 1 14 . 1 1 93 93 ASP CA C 93 52.466 52.466 54.569 -2.103 17849 9516 1 14 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.170 -1.190 17849 9517 1 14 . 1 1 93 93 ASP H H 93 7.543 7.543 8.139 -0.596 17849 9518 1 14 . 1 1 94 94 LYS N N 94 125.591 125.591 124.838 0.753 17849 9519 1 14 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.340 -0.261 17849 9520 1 14 . 1 1 94 94 LYS C C 94 177.856 177.856 177.527 0.329 17849 9521 1 14 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.831 1.099 17849 9522 1 14 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.759 -0.365 17849 9523 1 14 . 1 1 94 94 LYS H H 94 7.873 7.873 8.178 -0.305 17849 9524 1 14 . 1 1 95 95 ASN N N 95 112.796 112.796 117.438 -4.642 17849 9525 1 14 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.669 0.128 17849 9526 1 14 . 1 1 95 95 ASN C C 95 176.619 176.619 175.915 0.704 17849 9527 1 14 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.586 -1.676 17849 9528 1 14 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.761 -1.485 17849 9529 1 14 . 1 1 95 95 ASN H H 95 8.272 8.272 7.894 0.378 17849 9530 1 14 . 1 1 96 96 GLY N N 96 109.132 109.132 109.381 -0.249 17849 9531 1 14 . 1 1 96 96 GLY C C 96 174.799 174.799 173.956 0.843 17849 9532 1 14 . 1 1 96 96 GLY CA C 96 47.571 47.571 45.973 1.598 17849 9533 1 14 . 1 1 96 96 GLY H H 96 7.654 7.654 8.211 -0.557 17849 9534 1 14 . 1 1 97 97 ASP N N 97 118.796 118.796 121.074 -2.278 17849 9535 1 14 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.655 -0.125 17849 9536 1 14 . 1 1 97 97 ASP C C 97 177.137 177.137 177.630 -0.493 17849 9537 1 14 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.713 -0.321 17849 9538 1 14 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.598 -1.209 17849 9539 1 14 . 1 1 97 97 ASP H H 97 8.090 8.090 8.383 -0.293 17849 9540 1 14 . 1 1 98 98 GLY N N 98 112.962 112.962 107.928 5.034 17849 9541 1 14 . 1 1 98 98 GLY C C 98 172.142 172.142 173.563 -1.421 17849 9542 1 14 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.587 0.137 17849 9543 1 14 . 1 1 98 98 GLY H H 98 10.329 10.329 8.511 1.818 17849 9544 1 14 . 1 1 99 99 LEU N N 99 119.691 119.691 120.807 -1.116 17849 9545 1 14 . 1 1 99 99 LEU HA H 99 4.762 4.762 5.059 -0.297 17849 9546 1 14 . 1 1 99 99 LEU C C 99 176.162 176.162 174.523 1.639 17849 9547 1 14 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.750 -0.926 17849 9548 1 14 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.555 -0.773 17849 9549 1 14 . 1 1 99 99 LEU H H 99 8.000 8.000 8.123 -0.123 17849 9550 1 14 . 1 1 100 100 ILE N N 100 127.464 127.464 121.055 6.409 17849 9551 1 14 . 1 1 100 100 ILE HA H 100 4.674 4.674 5.124 -0.450 17849 9552 1 14 . 1 1 100 100 ILE C C 100 175.006 175.006 174.355 0.651 17849 9553 1 14 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.584 0.836 17849 9554 1 14 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.602 -2.791 17849 9555 1 14 . 1 1 100 100 ILE H H 100 9.491 9.491 8.547 0.944 17849 9556 1 14 . 1 1 101 101 SER N N 101 123.104 123.104 118.411 4.693 17849 9557 1 14 . 1 1 101 101 SER HA H 101 4.770 4.770 4.813 -0.043 17849 9558 1 14 . 1 1 101 101 SER C C 101 174.847 174.847 175.322 -0.475 17849 9559 1 14 . 1 1 101 101 SER CA C 101 55.854 55.854 56.857 -1.003 17849 9560 1 14 . 1 1 101 101 SER CB C 101 65.994 65.994 65.138 0.856 17849 9561 1 14 . 1 1 101 101 SER H H 101 9.058 9.058 8.325 0.733 17849 9562 1 14 . 1 1 102 102 ALA N N 102 124.316 124.316 123.666 0.650 17849 9563 1 14 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.640 -1.024 17849 9564 1 14 . 1 1 102 102 ALA C C 102 179.388 179.388 179.045 0.343 17849 9565 1 14 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.785 0.939 17849 9566 1 14 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.630 -1.315 17849 9567 1 14 . 1 1 102 102 ALA H H 102 8.587 8.587 8.630 -0.043 17849 9568 1 14 . 1 1 103 103 ALA N N 103 118.346 118.346 120.159 -1.813 17849 9569 1 14 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.376 -0.376 17849 9570 1 14 . 1 1 103 103 ALA C C 103 181.188 181.188 179.233 1.955 17849 9571 1 14 . 1 1 103 103 ALA CA C 103 55.058 55.058 53.814 1.244 17849 9572 1 14 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.797 -0.408 17849 9573 1 14 . 1 1 103 103 ALA H H 103 8.266 8.266 8.214 0.052 17849 9574 1 14 . 1 1 104 104 GLU N N 104 120.568 120.568 120.081 0.487 17849 9575 1 14 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.189 -0.133 17849 9576 1 14 . 1 1 104 104 GLU C C 104 178.762 178.762 178.433 0.329 17849 9577 1 14 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.300 0.668 17849 9578 1 14 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.894 -0.983 17849 9579 1 14 . 1 1 104 104 GLU H H 104 7.928 7.928 8.202 -0.274 17849 9580 1 14 . 1 1 105 105 LEU N N 105 117.903 117.903 117.367 0.536 17849 9581 1 14 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.805 0.224 17849 9582 1 14 . 1 1 105 105 LEU C C 105 178.497 178.497 178.548 -0.051 17849 9583 1 14 . 1 1 105 105 LEU CA C 105 58.453 58.453 58.291 0.162 17849 9584 1 14 . 1 1 105 105 LEU CB C 105 43.192 43.192 41.745 1.447 17849 9585 1 14 . 1 1 105 105 LEU H H 105 7.926 7.926 8.028 -0.102 17849 9586 1 14 . 1 1 106 106 LYS N N 106 115.836 115.836 117.039 -1.203 17849 9587 1 14 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.263 -0.464 17849 9588 1 14 . 1 1 106 106 LYS C C 106 179.102 179.102 178.036 1.066 17849 9589 1 14 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.481 1.691 17849 9590 1 14 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.475 0.135 17849 9591 1 14 . 1 1 106 106 LYS H H 106 8.337 8.337 7.807 0.530 17849 9592 1 14 . 1 1 107 107 HIS N N 107 119.620 119.620 118.539 1.081 17849 9593 1 14 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.530 -0.276 17849 9594 1 14 . 1 1 107 107 HIS C C 107 178.167 178.167 177.295 0.872 17849 9595 1 14 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.147 1.781 17849 9596 1 14 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.243 0.341 17849 9597 1 14 . 1 1 107 107 HIS H H 107 8.502 8.502 7.487 1.015 17849 9598 1 14 . 1 1 108 108 VAL N N 108 118.595 118.595 121.889 -3.294 17849 9599 1 14 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.728 -0.072 17849 9600 1 14 . 1 1 108 108 VAL C C 108 178.608 178.608 176.140 2.468 17849 9601 1 14 . 1 1 108 108 VAL CA C 108 66.356 66.356 63.867 2.489 17849 9602 1 14 . 1 1 108 108 VAL CB C 108 32.315 32.315 30.905 1.410 17849 9603 1 14 . 1 1 108 108 VAL H H 108 8.348 8.348 8.512 -0.164 17849 9604 1 14 . 1 1 109 109 LEU N N 109 116.755 116.755 116.058 0.697 17849 9605 1 14 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.897 0.247 17849 9606 1 14 . 1 1 109 109 LEU C C 109 179.267 179.267 177.764 1.503 17849 9607 1 14 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.476 -0.022 17849 9608 1 14 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.402 0.701 17849 9609 1 14 . 1 1 109 109 LEU H H 109 8.251 8.251 7.536 0.715 17849 9610 1 14 . 1 1 110 110 THR N N 110 111.046 111.046 107.416 3.630 17849 9611 1 14 . 1 1 110 110 THR HA H 110 4.256 4.256 4.267 -0.011 17849 9612 1 14 . 1 1 110 110 THR C C 110 175.897 175.897 175.507 0.390 17849 9613 1 14 . 1 1 110 110 THR CA C 110 64.465 64.465 62.855 1.610 17849 9614 1 14 . 1 1 110 110 THR CB C 110 69.431 69.431 69.729 -0.298 17849 9615 1 14 . 1 1 110 110 THR H H 110 8.085 8.085 7.559 0.526 17849 9616 1 14 . 1 1 111 111 SER N N 111 117.074 117.074 117.691 -0.617 17849 9617 1 14 . 1 1 111 111 SER HA H 111 4.406 4.406 4.278 0.128 17849 9618 1 14 . 1 1 111 111 SER C C 111 175.051 175.051 175.384 -0.333 17849 9619 1 14 . 1 1 111 111 SER CA C 111 59.968 59.968 59.813 0.155 17849 9620 1 14 . 1 1 111 111 SER CB C 111 63.391 63.391 63.354 0.037 17849 9621 1 14 . 1 1 111 111 SER H H 111 7.681 7.681 7.352 0.329 17849 9622 1 14 . 1 1 112 112 ILE N N 112 119.783 119.783 120.767 -0.984 17849 9623 1 14 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.830 0.261 17849 9624 1 14 . 1 1 112 112 ILE C C 112 177.040 177.040 176.430 0.610 17849 9625 1 14 . 1 1 112 112 ILE CA C 112 62.524 62.524 63.472 -0.949 17849 9626 1 14 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.291 0.053 17849 9627 1 14 . 1 1 112 112 ILE H H 112 7.444 7.444 7.347 0.097 17849 9628 1 14 . 1 1 113 113 GLY N N 113 110.432 110.432 113.807 -3.375 17849 9629 1 14 . 1 1 113 113 GLY C C 113 174.442 174.442 172.538 1.904 17849 9630 1 14 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.546 1.097 17849 9631 1 14 . 1 1 113 113 GLY H H 113 8.148 8.148 8.099 0.049 17849 9632 1 14 . 1 1 114 114 GLU N N 114 120.374 120.374 120.895 -0.521 17849 9633 1 14 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.390 -0.124 17849 9634 1 14 . 1 1 114 114 GLU C C 114 176.556 176.556 176.486 0.070 17849 9635 1 14 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.040 0.733 17849 9636 1 14 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.239 0.051 17849 9637 1 14 . 1 1 114 114 GLU H H 114 8.092 8.092 8.370 -0.278 17849 9638 1 14 . 1 1 115 115 LYS N N 115 121.383 121.383 116.063 5.320 17849 9639 1 14 . 1 1 115 115 LYS HA H 115 4.335 4.335 3.962 0.373 17849 9640 1 14 . 1 1 115 115 LYS C C 115 176.654 176.654 174.909 1.745 17849 9641 1 14 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.865 -0.567 17849 9642 1 14 . 1 1 115 115 LYS CB C 115 32.839 32.839 29.941 2.898 17849 9643 1 14 . 1 1 115 115 LYS H H 115 8.221 8.221 8.466 -0.245 17849 9644 1 14 . 1 1 116 116 LEU N N 116 123.146 123.146 119.591 3.555 17849 9645 1 14 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.602 -0.181 17849 9646 1 14 . 1 1 116 116 LEU C C 116 177.677 177.677 175.817 1.860 17849 9647 1 14 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.249 1.071 17849 9648 1 14 . 1 1 116 116 LEU CB C 116 42.309 42.309 44.571 -2.262 17849 9649 1 14 . 1 1 116 116 LEU H H 116 8.265 8.265 8.004 0.261 17849 9650 1 14 . 1 1 117 117 THR N N 117 113.859 113.859 113.563 0.296 17849 9651 1 14 . 1 1 117 117 THR HA H 117 4.337 4.337 4.459 -0.122 17849 9652 1 14 . 1 1 117 117 THR C C 117 174.535 174.535 173.463 1.072 17849 9653 1 14 . 1 1 117 117 THR CA C 117 61.824 61.824 60.902 0.922 17849 9654 1 14 . 1 1 117 117 THR CB C 117 70.096 70.096 71.894 -1.798 17849 9655 1 14 . 1 1 117 117 THR H H 117 8.182 8.182 8.048 0.134 17849 9656 1 14 . 1 1 118 118 ASP N N 118 122.049 122.049 120.294 1.755 17849 9657 1 14 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.514 0.019 17849 9658 1 14 . 1 1 118 118 ASP C C 118 176.728 176.728 176.452 0.276 17849 9659 1 14 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.126 0.092 17849 9660 1 14 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.478 0.374 17849 9661 1 14 . 1 1 118 118 ASP H H 118 8.367 8.367 8.599 -0.232 17849 9662 1 14 . 1 1 119 119 ALA N N 119 123.432 123.432 120.069 3.363 17849 9663 1 14 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.263 -0.043 17849 9664 1 14 . 1 1 119 119 ALA C C 119 178.486 178.486 177.414 1.072 17849 9665 1 14 . 1 1 119 119 ALA CA C 119 53.433 53.433 51.900 1.533 17849 9666 1 14 . 1 1 119 119 ALA CB C 119 19.075 19.075 17.975 1.100 17849 9667 1 14 . 1 1 119 119 ALA H H 119 8.206 8.206 7.813 0.393 17849 9668 1 14 . 1 1 120 120 GLU N N 120 118.592 118.592 119.727 -1.135 17849 9669 1 14 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.134 0.048 17849 9670 1 14 . 1 1 120 120 GLU C C 120 177.133 177.133 177.544 -0.411 17849 9671 1 14 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.982 -1.877 17849 9672 1 14 . 1 1 120 120 GLU CB C 120 30.052 30.052 30.044 0.008 17849 9673 1 14 . 1 1 120 120 GLU H H 120 8.187 8.187 7.947 0.240 17849 9674 1 14 . 1 1 121 121 LEU N N 121 121.427 121.427 113.757 7.670 17849 9675 1 14 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.798 -0.594 17849 9676 1 14 . 1 1 121 121 LEU C C 121 177.710 177.710 177.571 0.139 17849 9677 1 14 . 1 1 121 121 LEU CA C 121 55.752 55.752 54.714 1.038 17849 9678 1 14 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.336 -1.078 17849 9679 1 14 . 1 1 121 121 LEU H H 121 8.020 8.020 7.565 0.455 17849 9680 1 14 . 1 1 122 122 GLU N N 122 119.850 119.850 119.724 0.126 17849 9681 1 14 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.297 -0.170 17849 9682 1 14 . 1 1 122 122 GLU C C 122 176.518 176.518 175.266 1.252 17849 9683 1 14 . 1 1 122 122 GLU CA C 122 57.014 57.014 56.094 0.920 17849 9684 1 14 . 1 1 122 122 GLU CB C 122 30.056 30.056 27.901 2.155 17849 9685 1 14 . 1 1 122 122 GLU H H 122 8.118 8.118 8.246 -0.128 17849 9686 1 14 . 1 1 123 123 HIS N N 123 118.817 118.817 120.055 -1.238 17849 9687 1 14 . 1 1 123 123 HIS CA C 123 56.259 56.259 56.079 0.180 17849 9688 1 14 . 1 1 123 123 HIS H H 123 8.106 8.106 8.439 -0.333 17849 9689 1 15 . 1 1 2 2 SER HA H 2 4.507 4.507 4.168 0.339 17849 9690 1 15 . 1 1 2 2 SER CA C 2 58.342 58.342 58.475 -0.133 17849 9691 1 15 . 1 1 2 2 SER CB C 2 63.883 63.883 62.346 1.537 17849 9692 1 15 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.877 -0.113 17849 9693 1 15 . 1 1 3 3 ASN C C 3 174.784 174.784 175.419 -0.635 17849 9694 1 15 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.498 0.627 17849 9695 1 15 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.520 -0.627 17849 9696 1 15 . 1 1 4 4 LEU N N 4 121.466 121.466 122.456 -0.990 17849 9697 1 15 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.588 0.112 17849 9698 1 15 . 1 1 4 4 LEU C C 4 177.665 177.665 176.843 0.822 17849 9699 1 15 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.449 -0.937 17849 9700 1 15 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.551 1.088 17849 9701 1 15 . 1 1 4 4 LEU H H 4 8.097 8.097 8.414 -0.317 17849 9702 1 15 . 1 1 5 5 THR N N 5 112.990 112.990 114.840 -1.850 17849 9703 1 15 . 1 1 5 5 THR HA H 5 4.481 4.481 4.662 -0.181 17849 9704 1 15 . 1 1 5 5 THR C C 5 175.474 175.474 175.242 0.232 17849 9705 1 15 . 1 1 5 5 THR CA C 5 60.528 60.528 59.998 0.530 17849 9706 1 15 . 1 1 5 5 THR CB C 5 71.244 71.244 71.458 -0.214 17849 9707 1 15 . 1 1 5 5 THR H H 5 8.778 8.778 7.882 0.896 17849 9708 1 15 . 1 1 6 6 GLU N N 6 120.343 120.343 120.160 0.183 17849 9709 1 15 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.928 0.074 17849 9710 1 15 . 1 1 6 6 GLU C C 6 179.568 179.568 178.662 0.906 17849 9711 1 15 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.175 0.001 17849 9712 1 15 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.259 -0.034 17849 9713 1 15 . 1 1 6 6 GLU H H 6 9.078 9.078 8.939 0.139 17849 9714 1 15 . 1 1 7 7 GLU N N 7 119.544 119.544 120.543 -0.999 17849 9715 1 15 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.918 0.193 17849 9716 1 15 . 1 1 7 7 GLU C C 7 179.170 179.170 179.090 0.080 17849 9717 1 15 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.556 0.481 17849 9718 1 15 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.296 -0.179 17849 9719 1 15 . 1 1 7 7 GLU H H 7 8.820 8.820 7.866 0.954 17849 9720 1 15 . 1 1 8 8 GLN N N 8 119.824 119.824 118.451 1.373 17849 9721 1 15 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.860 0.304 17849 9722 1 15 . 1 1 8 8 GLN C C 8 179.652 179.652 178.778 0.874 17849 9723 1 15 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.659 0.093 17849 9724 1 15 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.512 1.227 17849 9725 1 15 . 1 1 8 8 GLN H H 8 7.812 7.812 7.658 0.154 17849 9726 1 15 . 1 1 9 9 ILE N N 9 120.978 120.978 120.245 0.733 17849 9727 1 15 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.871 -0.019 17849 9728 1 15 . 1 1 9 9 ILE C C 9 177.899 177.899 178.641 -0.742 17849 9729 1 15 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.701 0.875 17849 9730 1 15 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.639 0.350 17849 9731 1 15 . 1 1 9 9 ILE H H 9 8.634 8.634 8.671 -0.037 17849 9732 1 15 . 1 1 10 10 ALA N N 10 121.528 121.528 121.449 0.079 17849 9733 1 15 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.096 0.010 17849 9734 1 15 . 1 1 10 10 ALA C C 10 180.886 180.886 179.835 1.051 17849 9735 1 15 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.424 -0.006 17849 9736 1 15 . 1 1 10 10 ALA CB C 10 17.775 17.775 18.093 -0.318 17849 9737 1 15 . 1 1 10 10 ALA H H 10 8.142 8.142 8.351 -0.209 17849 9738 1 15 . 1 1 11 11 GLU N N 11 118.807 118.807 118.653 0.154 17849 9739 1 15 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.049 0.165 17849 9740 1 15 . 1 1 11 11 GLU C C 11 180.292 180.292 179.249 1.043 17849 9741 1 15 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.145 0.219 17849 9742 1 15 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.140 0.648 17849 9743 1 15 . 1 1 11 11 GLU H H 11 7.810 7.810 8.249 -0.439 17849 9744 1 15 . 1 1 12 12 PHE N N 12 118.671 118.671 119.093 -0.422 17849 9745 1 15 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.688 -0.041 17849 9746 1 15 . 1 1 12 12 PHE C C 12 179.032 179.032 177.683 1.349 17849 9747 1 15 . 1 1 12 12 PHE CA C 12 63.160 63.160 60.524 2.636 17849 9748 1 15 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.906 0.109 17849 9749 1 15 . 1 1 12 12 PHE H H 12 8.432 8.432 8.724 -0.292 17849 9750 1 15 . 1 1 13 13 LYS N N 13 123.536 123.536 118.743 4.793 17849 9751 1 15 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.639 0.201 17849 9752 1 15 . 1 1 13 13 LYS C C 13 179.114 179.114 178.807 0.307 17849 9753 1 15 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.025 0.063 17849 9754 1 15 . 1 1 13 13 LYS CB C 13 31.652 31.652 31.887 -0.235 17849 9755 1 15 . 1 1 13 13 LYS H H 13 8.981 8.981 8.440 0.541 17849 9756 1 15 . 1 1 14 14 GLU N N 14 119.691 119.691 118.829 0.862 17849 9757 1 15 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.289 -0.192 17849 9758 1 15 . 1 1 14 14 GLU C C 14 179.285 179.285 178.389 0.896 17849 9759 1 15 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.416 0.829 17849 9760 1 15 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.682 -0.041 17849 9761 1 15 . 1 1 14 14 GLU H H 14 7.737 7.737 7.573 0.164 17849 9762 1 15 . 1 1 15 15 ALA N N 15 120.127 120.127 123.167 -3.040 17849 9763 1 15 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.149 0.018 17849 9764 1 15 . 1 1 15 15 ALA C C 15 178.607 178.607 179.477 -0.870 17849 9765 1 15 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.071 -0.012 17849 9766 1 15 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.687 0.444 17849 9767 1 15 . 1 1 15 15 ALA H H 15 7.747 7.747 7.735 0.012 17849 9768 1 15 . 1 1 16 16 PHE N N 16 119.058 119.058 118.032 1.026 17849 9769 1 15 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.708 -0.401 17849 9770 1 15 . 1 1 16 16 PHE C C 16 177.236 177.236 176.624 0.612 17849 9771 1 15 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.084 0.621 17849 9772 1 15 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.177 0.575 17849 9773 1 15 . 1 1 16 16 PHE H H 16 8.908 8.908 8.611 0.297 17849 9774 1 15 . 1 1 17 17 ALA N N 17 119.352 119.352 122.188 -2.836 17849 9775 1 15 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.050 0.073 17849 9776 1 15 . 1 1 17 17 ALA C C 17 178.680 178.680 178.823 -0.143 17849 9777 1 15 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.782 -0.243 17849 9778 1 15 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.442 -0.227 17849 9779 1 15 . 1 1 17 17 ALA H H 17 7.877 7.877 7.728 0.149 17849 9780 1 15 . 1 1 18 18 LEU N N 18 115.281 115.281 117.892 -2.611 17849 9781 1 15 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.006 0.049 17849 9782 1 15 . 1 1 18 18 LEU C C 18 178.393 178.393 178.179 0.214 17849 9783 1 15 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.400 -0.758 17849 9784 1 15 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.451 0.292 17849 9785 1 15 . 1 1 18 18 LEU H H 18 7.369 7.369 8.138 -0.769 17849 9786 1 15 . 1 1 19 19 PHE N N 19 115.719 115.719 115.672 0.047 17849 9787 1 15 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.393 -0.184 17849 9788 1 15 . 1 1 19 19 PHE C C 19 176.704 176.704 176.153 0.551 17849 9789 1 15 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.883 -0.649 17849 9790 1 15 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.621 1.049 17849 9791 1 15 . 1 1 19 19 PHE H H 19 7.468 7.468 7.937 -0.469 17849 9792 1 15 . 1 1 20 20 ASP N N 20 117.209 117.209 119.514 -2.305 17849 9793 1 15 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.499 -0.038 17849 9794 1 15 . 1 1 20 20 ASP C C 20 176.557 176.557 176.275 0.282 17849 9795 1 15 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.371 -3.126 17849 9796 1 15 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.864 -2.717 17849 9797 1 15 . 1 1 20 20 ASP H H 20 7.488 7.488 8.137 -0.649 17849 9798 1 15 . 1 1 21 21 LYS N N 21 124.086 124.086 125.127 -1.041 17849 9799 1 15 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.210 -0.212 17849 9800 1 15 . 1 1 21 21 LYS C C 21 177.844 177.844 177.285 0.559 17849 9801 1 15 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.169 0.139 17849 9802 1 15 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.819 -0.367 17849 9803 1 15 . 1 1 21 21 LYS H H 21 7.376 7.376 8.648 -1.272 17849 9804 1 15 . 1 1 22 22 ASP N N 22 114.097 114.097 115.168 -1.071 17849 9805 1 15 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.571 0.033 17849 9806 1 15 . 1 1 22 22 ASP C C 22 176.349 176.349 175.712 0.637 17849 9807 1 15 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.430 -0.727 17849 9808 1 15 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.217 -0.862 17849 9809 1 15 . 1 1 22 22 ASP H H 22 8.113 8.113 8.321 -0.208 17849 9810 1 15 . 1 1 23 23 ASN N N 23 115.562 115.562 116.660 -1.098 17849 9811 1 15 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.484 -0.089 17849 9812 1 15 . 1 1 23 23 ASN C C 23 174.864 174.864 175.243 -0.379 17849 9813 1 15 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.157 0.243 17849 9814 1 15 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.415 1.509 17849 9815 1 15 . 1 1 23 23 ASN H H 23 8.048 8.048 8.205 -0.157 17849 9816 1 15 . 1 1 24 24 ASN N N 24 117.615 117.615 117.483 0.132 17849 9817 1 15 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.682 0.153 17849 9818 1 15 . 1 1 24 24 ASN C C 24 177.445 177.445 175.952 1.493 17849 9819 1 15 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.063 -0.648 17849 9820 1 15 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.865 -0.384 17849 9821 1 15 . 1 1 24 24 ASN H H 24 8.517 8.517 8.832 -0.315 17849 9822 1 15 . 1 1 25 25 GLY N N 25 114.308 114.308 107.740 6.568 17849 9823 1 15 . 1 1 25 25 GLY C C 25 173.105 173.105 173.279 -0.174 17849 9824 1 15 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.214 0.266 17849 9825 1 15 . 1 1 25 25 GLY H H 25 10.729 10.729 8.036 2.693 17849 9826 1 15 . 1 1 26 26 SER N N 26 113.267 113.267 117.098 -3.831 17849 9827 1 15 . 1 1 26 26 SER HA H 26 5.330 5.330 5.715 -0.385 17849 9828 1 15 . 1 1 26 26 SER C C 26 172.610 172.610 173.496 -0.886 17849 9829 1 15 . 1 1 26 26 SER CA C 26 57.375 57.375 56.805 0.570 17849 9830 1 15 . 1 1 26 26 SER CB C 26 66.504 66.504 66.014 0.490 17849 9831 1 15 . 1 1 26 26 SER H H 26 7.773 7.773 8.060 -0.287 17849 9832 1 15 . 1 1 27 27 ILE N N 27 127.124 127.124 120.889 6.235 17849 9833 1 15 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.604 0.284 17849 9834 1 15 . 1 1 27 27 ILE C C 27 175.876 175.876 175.494 0.382 17849 9835 1 15 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.002 0.034 17849 9836 1 15 . 1 1 27 27 ILE CB C 27 38.896 38.896 42.087 -3.192 17849 9837 1 15 . 1 1 27 27 ILE H H 27 9.848 9.848 8.130 1.718 17849 9838 1 15 . 1 1 28 28 SER N N 28 124.825 124.825 119.391 5.434 17849 9839 1 15 . 1 1 28 28 SER HA H 28 4.771 4.771 5.151 -0.380 17849 9840 1 15 . 1 1 28 28 SER C C 28 175.395 175.395 175.805 -0.410 17849 9841 1 15 . 1 1 28 28 SER CA C 28 56.680 56.680 55.911 0.769 17849 9842 1 15 . 1 1 28 28 SER CB C 28 66.154 66.154 66.145 0.009 17849 9843 1 15 . 1 1 28 28 SER H H 28 9.347 9.347 8.383 0.964 17849 9844 1 15 . 1 1 29 29 SER N N 29 116.882 116.882 119.433 -2.551 17849 9845 1 15 . 1 1 29 29 SER HA H 29 4.144 4.144 4.052 0.092 17849 9846 1 15 . 1 1 29 29 SER C C 29 176.516 176.516 176.319 0.197 17849 9847 1 15 . 1 1 29 29 SER CA C 29 62.634 62.634 61.686 0.948 17849 9848 1 15 . 1 1 29 29 SER CB C 29 62.227 62.227 62.614 -0.387 17849 9849 1 15 . 1 1 29 29 SER H H 29 9.604 9.604 9.074 0.530 17849 9850 1 15 . 1 1 30 30 SER N N 30 116.141 116.141 118.188 -2.047 17849 9851 1 15 . 1 1 30 30 SER HA H 30 4.327 4.327 4.082 0.245 17849 9852 1 15 . 1 1 30 30 SER C C 30 177.965 177.965 176.589 1.376 17849 9853 1 15 . 1 1 30 30 SER CA C 30 61.341 61.341 61.999 -0.658 17849 9854 1 15 . 1 1 30 30 SER CB C 30 62.429 62.429 62.867 -0.438 17849 9855 1 15 . 1 1 30 30 SER H H 30 8.184 8.184 8.225 -0.041 17849 9856 1 15 . 1 1 31 31 GLU N N 31 124.933 124.933 122.085 2.848 17849 9857 1 15 . 1 1 31 31 GLU HA H 31 4.091 4.091 3.999 0.092 17849 9858 1 15 . 1 1 31 31 GLU C C 31 179.355 179.355 179.494 -0.139 17849 9859 1 15 . 1 1 31 31 GLU CA C 31 59.442 59.442 59.236 0.206 17849 9860 1 15 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.608 -0.273 17849 9861 1 15 . 1 1 31 31 GLU H H 31 7.973 7.973 7.574 0.399 17849 9862 1 15 . 1 1 32 32 LEU N N 32 120.778 120.778 120.295 0.483 17849 9863 1 15 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.063 0.104 17849 9864 1 15 . 1 1 32 32 LEU C C 32 178.364 178.364 178.309 0.055 17849 9865 1 15 . 1 1 32 32 LEU CA C 32 58.347 58.347 58.242 0.105 17849 9866 1 15 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.949 0.162 17849 9867 1 15 . 1 1 32 32 LEU H H 32 8.616 8.616 8.285 0.331 17849 9868 1 15 . 1 1 33 33 ALA N N 33 120.423 120.423 121.189 -0.766 17849 9869 1 15 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.949 -0.073 17849 9870 1 15 . 1 1 33 33 ALA C C 33 179.394 179.394 179.325 0.069 17849 9871 1 15 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.312 0.476 17849 9872 1 15 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.994 0.524 17849 9873 1 15 . 1 1 33 33 ALA H H 33 8.688 8.688 8.584 0.104 17849 9874 1 15 . 1 1 34 34 THR N N 34 114.299 114.299 113.446 0.853 17849 9875 1 15 . 1 1 34 34 THR HA H 34 3.902 3.902 4.077 -0.175 17849 9876 1 15 . 1 1 34 34 THR C C 34 177.161 177.161 176.107 1.054 17849 9877 1 15 . 1 1 34 34 THR CA C 34 67.173 67.173 66.122 1.051 17849 9878 1 15 . 1 1 34 34 THR CB C 34 68.712 68.712 68.545 0.167 17849 9879 1 15 . 1 1 34 34 THR H H 34 8.219 8.219 8.227 -0.008 17849 9880 1 15 . 1 1 35 35 VAL N N 35 122.638 122.638 119.682 2.956 17849 9881 1 15 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.822 -0.238 17849 9882 1 15 . 1 1 35 35 VAL C C 35 178.403 178.403 177.527 0.876 17849 9883 1 15 . 1 1 35 35 VAL CA C 35 66.884 66.884 66.283 0.601 17849 9884 1 15 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.809 -0.448 17849 9885 1 15 . 1 1 35 35 VAL H H 35 7.791 7.791 7.478 0.313 17849 9886 1 15 . 1 1 36 36 MET N N 36 117.307 117.307 118.966 -1.659 17849 9887 1 15 . 1 1 36 36 MET HA H 36 3.906 3.906 4.170 -0.264 17849 9888 1 15 . 1 1 36 36 MET C C 36 178.456 178.456 178.424 0.032 17849 9889 1 15 . 1 1 36 36 MET CA C 36 59.787 59.787 58.804 0.983 17849 9890 1 15 . 1 1 36 36 MET CB C 36 32.548 32.548 31.673 0.875 17849 9891 1 15 . 1 1 36 36 MET H H 36 8.308 8.308 7.370 0.938 17849 9892 1 15 . 1 1 37 37 ARG N N 37 118.384 118.384 116.995 1.389 17849 9893 1 15 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.400 0.357 17849 9894 1 15 . 1 1 37 37 ARG C C 37 181.371 181.371 178.766 2.605 17849 9895 1 15 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.512 0.375 17849 9896 1 15 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.459 0.639 17849 9897 1 15 . 1 1 37 37 ARG H H 37 8.634 8.634 8.552 0.082 17849 9898 1 15 . 1 1 38 38 SER N N 38 118.916 118.916 114.955 3.961 17849 9899 1 15 . 1 1 38 38 SER HA H 38 4.339 4.339 4.302 0.037 17849 9900 1 15 . 1 1 38 38 SER C C 38 174.705 174.705 176.355 -1.650 17849 9901 1 15 . 1 1 38 38 SER CA C 38 61.793 61.793 60.512 1.281 17849 9902 1 15 . 1 1 38 38 SER CB C 38 62.713 62.713 63.204 -0.491 17849 9903 1 15 . 1 1 38 38 SER H H 38 8.226 8.226 7.640 0.586 17849 9904 1 15 . 1 1 39 39 LEU N N 39 119.948 119.948 120.973 -1.025 17849 9905 1 15 . 1 1 39 39 LEU HA H 39 4.296 4.296 3.958 0.338 17849 9906 1 15 . 1 1 39 39 LEU C C 39 176.723 176.723 178.422 -1.699 17849 9907 1 15 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.940 -3.380 17849 9908 1 15 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.468 -0.479 17849 9909 1 15 . 1 1 39 39 LEU H H 39 7.331 7.331 7.898 -0.567 17849 9910 1 15 . 1 1 40 40 GLY N N 40 105.997 105.997 103.282 2.715 17849 9911 1 15 . 1 1 40 40 GLY C C 40 174.405 174.405 173.623 0.782 17849 9912 1 15 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.045 0.143 17849 9913 1 15 . 1 1 40 40 GLY H H 40 7.889 7.889 7.809 0.080 17849 9914 1 15 . 1 1 41 41 LEU N N 41 120.071 120.071 119.869 0.202 17849 9915 1 15 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.800 -0.314 17849 9916 1 15 . 1 1 41 41 LEU C C 41 175.829 175.829 175.186 0.643 17849 9917 1 15 . 1 1 41 41 LEU CA C 41 54.187 54.187 54.287 -0.100 17849 9918 1 15 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.406 -0.833 17849 9919 1 15 . 1 1 41 41 LEU H H 41 7.592 7.592 7.636 -0.044 17849 9920 1 15 . 1 1 42 42 SER N N 42 112.869 112.869 116.274 -3.405 17849 9921 1 15 . 1 1 42 42 SER HA H 42 4.797 4.797 4.848 -0.051 17849 9922 1 15 . 1 1 42 42 SER CA C 42 54.960 54.960 56.107 -1.147 17849 9923 1 15 . 1 1 42 42 SER CB C 42 63.177 63.177 63.779 -0.602 17849 9924 1 15 . 1 1 42 42 SER H H 42 8.761 8.761 8.428 0.333 17849 9925 1 15 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.528 0.180 17849 9926 1 15 . 1 1 43 43 PRO C C 43 177.533 177.533 175.855 1.678 17849 9927 1 15 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.451 -0.276 17849 9928 1 15 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.235 -0.361 17849 9929 1 15 . 1 1 44 44 SER N N 44 119.089 119.089 118.095 0.994 17849 9930 1 15 . 1 1 44 44 SER HA H 44 4.574 4.574 4.575 -0.001 17849 9931 1 15 . 1 1 44 44 SER C C 44 174.803 174.803 175.845 -1.042 17849 9932 1 15 . 1 1 44 44 SER CA C 44 56.786 56.786 57.255 -0.469 17849 9933 1 15 . 1 1 44 44 SER CB C 44 65.387 65.387 64.466 0.921 17849 9934 1 15 . 1 1 44 44 SER H H 44 9.014 9.014 8.294 0.720 17849 9935 1 15 . 1 1 45 45 GLU N N 45 121.343 121.343 125.714 -4.371 17849 9936 1 15 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.817 0.127 17849 9937 1 15 . 1 1 45 45 GLU C C 45 178.978 178.978 178.040 0.938 17849 9938 1 15 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.664 0.442 17849 9939 1 15 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.266 0.037 17849 9940 1 15 . 1 1 45 45 GLU H H 45 8.925 8.925 9.077 -0.152 17849 9941 1 15 . 1 1 46 46 ALA N N 46 120.822 120.822 122.574 -1.752 17849 9942 1 15 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.119 0.027 17849 9943 1 15 . 1 1 46 46 ALA C C 46 179.782 179.782 179.502 0.280 17849 9944 1 15 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.643 0.443 17849 9945 1 15 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.666 0.590 17849 9946 1 15 . 1 1 46 46 ALA H H 46 8.339 8.339 8.189 0.150 17849 9947 1 15 . 1 1 47 47 GLU N N 47 118.432 118.432 118.726 -0.294 17849 9948 1 15 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.080 -0.006 17849 9949 1 15 . 1 1 47 47 GLU C C 47 180.222 180.222 178.921 1.301 17849 9950 1 15 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.189 0.020 17849 9951 1 15 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.300 0.585 17849 9952 1 15 . 1 1 47 47 GLU H H 47 7.759 7.759 8.383 -0.624 17849 9953 1 15 . 1 1 48 48 VAL N N 48 120.023 120.023 119.216 0.807 17849 9954 1 15 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.611 -0.113 17849 9955 1 15 . 1 1 48 48 VAL C C 48 177.380 177.380 177.669 -0.289 17849 9956 1 15 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.605 0.653 17849 9957 1 15 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.539 -0.178 17849 9958 1 15 . 1 1 48 48 VAL H H 48 8.174 8.174 8.316 -0.142 17849 9959 1 15 . 1 1 49 49 ASN N N 49 118.475 118.475 118.778 -0.303 17849 9960 1 15 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.228 0.177 17849 9961 1 15 . 1 1 49 49 ASN C C 49 177.352 177.352 177.154 0.198 17849 9962 1 15 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.877 -0.167 17849 9963 1 15 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.108 0.161 17849 9964 1 15 . 1 1 49 49 ASN H H 49 8.208 8.208 8.111 0.097 17849 9965 1 15 . 1 1 50 50 ASP N N 50 120.147 120.147 120.564 -0.417 17849 9966 1 15 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.353 0.129 17849 9967 1 15 . 1 1 50 50 ASP C C 50 178.973 178.973 178.424 0.549 17849 9968 1 15 . 1 1 50 50 ASP CA C 50 57.440 57.440 57.148 0.292 17849 9969 1 15 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.761 -0.582 17849 9970 1 15 . 1 1 50 50 ASP H H 50 8.400 8.400 7.717 0.683 17849 9971 1 15 . 1 1 51 51 LEU N N 51 121.706 121.706 118.884 2.822 17849 9972 1 15 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.077 0.031 17849 9973 1 15 . 1 1 51 51 LEU C C 51 178.796 178.796 178.576 0.220 17849 9974 1 15 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.203 0.929 17849 9975 1 15 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.793 0.097 17849 9976 1 15 . 1 1 51 51 LEU H H 51 7.830 7.830 8.096 -0.266 17849 9977 1 15 . 1 1 52 52 MET N N 52 117.267 117.267 116.972 0.295 17849 9978 1 15 . 1 1 52 52 MET HA H 52 4.145 4.145 4.194 -0.049 17849 9979 1 15 . 1 1 52 52 MET C C 52 178.260 178.260 178.490 -0.230 17849 9980 1 15 . 1 1 52 52 MET CA C 52 57.418 57.418 56.809 0.609 17849 9981 1 15 . 1 1 52 52 MET CB C 52 30.089 30.089 31.146 -1.057 17849 9982 1 15 . 1 1 52 52 MET H H 52 8.601 8.601 8.624 -0.023 17849 9983 1 15 . 1 1 53 53 ASN N N 53 115.368 115.368 118.808 -3.440 17849 9984 1 15 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.489 0.084 17849 9985 1 15 . 1 1 53 53 ASN C C 53 176.890 176.890 177.188 -0.298 17849 9986 1 15 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.321 -0.989 17849 9987 1 15 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.445 -0.291 17849 9988 1 15 . 1 1 53 53 ASN H H 53 8.239 8.239 8.308 -0.069 17849 9989 1 15 . 1 1 54 54 GLU N N 54 117.437 117.437 118.842 -1.405 17849 9990 1 15 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.127 0.123 17849 9991 1 15 . 1 1 54 54 GLU C C 54 177.019 177.019 178.505 -1.486 17849 9992 1 15 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.390 -0.703 17849 9993 1 15 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.683 0.410 17849 9994 1 15 . 1 1 54 54 GLU H H 54 7.625 7.625 7.534 0.091 17849 9995 1 15 . 1 1 55 55 ILE N N 55 117.098 117.098 117.596 -0.498 17849 9996 1 15 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.803 0.098 17849 9997 1 15 . 1 1 55 55 ILE C C 55 176.027 176.027 176.560 -0.533 17849 9998 1 15 . 1 1 55 55 ILE CA C 55 62.637 62.637 64.270 -1.633 17849 9999 1 15 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.040 1.996 17849 10000 1 15 . 1 1 55 55 ILE H H 55 7.496 7.496 7.700 -0.204 17849 10001 1 15 . 1 1 56 56 ASP N N 56 118.367 118.367 120.491 -2.124 17849 10002 1 15 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.860 -0.443 17849 10003 1 15 . 1 1 56 56 ASP C C 56 175.761 175.761 176.723 -0.962 17849 10004 1 15 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.651 -0.244 17849 10005 1 15 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.178 0.055 17849 10006 1 15 . 1 1 56 56 ASP H H 56 8.329 8.329 7.967 0.362 17849 10007 1 15 . 1 1 57 57 VAL N N 57 126.262 126.262 124.570 1.692 17849 10008 1 15 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.045 -0.039 17849 10009 1 15 . 1 1 57 57 VAL C C 57 177.253 177.253 176.838 0.415 17849 10010 1 15 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.505 -0.280 17849 10011 1 15 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.502 0.684 17849 10012 1 15 . 1 1 57 57 VAL H H 57 8.116 8.116 8.432 -0.316 17849 10013 1 15 . 1 1 58 58 ASP N N 58 116.896 116.896 119.110 -2.214 17849 10014 1 15 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.651 -0.079 17849 10015 1 15 . 1 1 58 58 ASP C C 58 177.670 177.670 176.614 1.056 17849 10016 1 15 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.960 -0.155 17849 10017 1 15 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.360 -1.367 17849 10018 1 15 . 1 1 58 58 ASP H H 58 8.356 8.356 8.309 0.047 17849 10019 1 15 . 1 1 59 59 GLY N N 59 107.989 107.989 108.455 -0.466 17849 10020 1 15 . 1 1 59 59 GLY C C 59 174.661 174.661 174.750 -0.089 17849 10021 1 15 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.443 1.636 17849 10022 1 15 . 1 1 59 59 GLY H H 59 7.622 7.622 8.273 -0.651 17849 10023 1 15 . 1 1 60 60 ASN N N 60 118.703 118.703 118.158 0.545 17849 10024 1 15 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.495 0.047 17849 10025 1 15 . 1 1 60 60 ASN C C 60 175.787 175.787 174.487 1.300 17849 10026 1 15 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.088 0.195 17849 10027 1 15 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.840 -1.656 17849 10028 1 15 . 1 1 60 60 ASN H H 60 8.096 8.096 8.458 -0.362 17849 10029 1 15 . 1 1 61 61 HIS N N 61 117.475 117.475 113.921 3.554 17849 10030 1 15 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.285 -0.417 17849 10031 1 15 . 1 1 61 61 HIS C C 61 172.407 172.407 173.350 -0.943 17849 10032 1 15 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.052 -0.624 17849 10033 1 15 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.054 0.919 17849 10034 1 15 . 1 1 61 61 HIS H H 61 9.998 9.998 8.401 1.597 17849 10035 1 15 . 1 1 62 62 GLN N N 62 112.629 112.629 116.236 -3.607 17849 10036 1 15 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.290 -0.481 17849 10037 1 15 . 1 1 62 62 GLN C C 62 174.654 174.654 174.607 0.047 17849 10038 1 15 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.606 -0.798 17849 10039 1 15 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.699 -0.574 17849 10040 1 15 . 1 1 62 62 GLN H H 62 7.541 7.541 8.701 -1.160 17849 10041 1 15 . 1 1 63 63 ILE N N 63 123.800 123.800 125.751 -1.951 17849 10042 1 15 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.596 0.450 17849 10043 1 15 . 1 1 63 63 ILE C C 63 176.626 176.626 176.081 0.545 17849 10044 1 15 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.334 1.559 17849 10045 1 15 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.810 1.370 17849 10046 1 15 . 1 1 63 63 ILE H H 63 9.312 9.312 8.689 0.623 17849 10047 1 15 . 1 1 64 64 GLU N N 64 128.941 128.941 126.970 1.971 17849 10048 1 15 . 1 1 64 64 GLU HA H 64 4.976 4.976 5.447 -0.471 17849 10049 1 15 . 1 1 64 64 GLU C C 64 178.001 178.001 177.808 0.193 17849 10050 1 15 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.281 3.439 17849 10051 1 15 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.609 -1.381 17849 10052 1 15 . 1 1 64 64 GLU H H 64 8.846 8.846 8.724 0.122 17849 10053 1 15 . 1 1 65 65 PHE N N 65 124.119 124.119 124.419 -0.300 17849 10054 1 15 . 1 1 65 65 PHE HA H 65 3.526 3.526 3.983 -0.457 17849 10055 1 15 . 1 1 65 65 PHE C C 65 176.981 176.981 176.673 0.308 17849 10056 1 15 . 1 1 65 65 PHE CA C 65 62.264 62.264 60.831 1.433 17849 10057 1 15 . 1 1 65 65 PHE CB C 65 37.824 37.824 38.952 -1.128 17849 10058 1 15 . 1 1 65 65 PHE H H 65 9.488 9.488 8.982 0.506 17849 10059 1 15 . 1 1 66 66 SER N N 66 112.445 112.445 114.236 -1.791 17849 10060 1 15 . 1 1 66 66 SER HA H 66 3.667 3.667 3.991 -0.324 17849 10061 1 15 . 1 1 66 66 SER C C 66 177.385 177.385 176.531 0.854 17849 10062 1 15 . 1 1 66 66 SER CA C 66 61.503 61.503 61.694 -0.191 17849 10063 1 15 . 1 1 66 66 SER CB C 66 61.285 61.285 62.688 -1.403 17849 10064 1 15 . 1 1 66 66 SER H H 66 8.972 8.972 8.427 0.545 17849 10065 1 15 . 1 1 67 67 GLU N N 67 122.775 122.775 122.963 -0.188 17849 10066 1 15 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.946 0.174 17849 10067 1 15 . 1 1 67 67 GLU C C 67 178.567 178.567 178.735 -0.168 17849 10068 1 15 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.474 -1.631 17849 10069 1 15 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.412 -0.163 17849 10070 1 15 . 1 1 67 67 GLU H H 67 6.799 6.799 7.575 -0.776 17849 10071 1 15 . 1 1 68 68 PHE N N 68 123.231 123.231 119.908 3.323 17849 10072 1 15 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.126 -0.295 17849 10073 1 15 . 1 1 68 68 PHE C C 68 175.936 175.936 177.103 -1.167 17849 10074 1 15 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.786 -0.670 17849 10075 1 15 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.315 0.900 17849 10076 1 15 . 1 1 68 68 PHE H H 68 8.176 8.176 8.574 -0.398 17849 10077 1 15 . 1 1 69 69 LEU N N 69 118.554 118.554 116.507 2.047 17849 10078 1 15 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.486 -0.320 17849 10079 1 15 . 1 1 69 69 LEU C C 69 179.074 179.074 178.023 1.051 17849 10080 1 15 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.514 0.618 17849 10081 1 15 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.523 -0.257 17849 10082 1 15 . 1 1 69 69 LEU H H 69 8.626 8.626 7.308 1.318 17849 10083 1 15 . 1 1 70 70 ALA N N 70 120.878 120.878 122.156 -1.278 17849 10084 1 15 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.881 0.004 17849 10085 1 15 . 1 1 70 70 ALA C C 70 179.914 179.914 179.266 0.648 17849 10086 1 15 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.451 0.519 17849 10087 1 15 . 1 1 70 70 ALA CB C 70 17.777 17.777 17.853 -0.076 17849 10088 1 15 . 1 1 70 70 ALA H H 70 7.322 7.322 8.066 -0.744 17849 10089 1 15 . 1 1 71 71 LEU N N 71 118.871 118.871 117.166 1.705 17849 10090 1 15 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.780 0.148 17849 10091 1 15 . 1 1 71 71 LEU C C 71 178.009 178.009 177.849 0.160 17849 10092 1 15 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.236 0.508 17849 10093 1 15 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.414 -0.002 17849 10094 1 15 . 1 1 71 71 LEU H H 71 7.219 7.219 7.540 -0.321 17849 10095 1 15 . 1 1 72 72 MET N N 72 113.480 113.480 112.973 0.507 17849 10096 1 15 . 1 1 72 72 MET HA H 72 4.165 4.165 4.557 -0.392 17849 10097 1 15 . 1 1 72 72 MET CA C 72 55.413 55.413 56.087 -0.675 17849 10098 1 15 . 1 1 72 72 MET CB C 72 31.199 31.199 33.916 -2.717 17849 10099 1 15 . 1 1 72 72 MET H H 72 7.486 7.486 7.276 0.210 17849 10100 1 15 . 1 1 73 73 SER HA H 73 4.337 4.337 4.290 0.047 17849 10101 1 15 . 1 1 73 73 SER C C 73 174.241 174.241 176.546 -2.305 17849 10102 1 15 . 1 1 73 73 SER CA C 73 59.132 59.132 59.937 -0.805 17849 10103 1 15 . 1 1 73 73 SER CB C 73 63.649 63.649 63.705 -0.056 17849 10104 1 15 . 1 1 73 73 SER H H 73 7.699 7.699 7.585 0.114 17849 10105 1 15 . 1 1 74 74 ARG N N 74 121.213 121.213 120.424 0.789 17849 10106 1 15 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.252 -0.041 17849 10107 1 15 . 1 1 74 74 ARG C C 74 175.638 175.638 177.065 -1.427 17849 10108 1 15 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.975 -1.125 17849 10109 1 15 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.907 0.765 17849 10110 1 15 . 1 1 74 74 ARG H H 74 7.400 7.400 8.186 -0.786 17849 10111 1 15 . 1 1 75 75 GLN N N 75 118.914 118.914 117.049 1.865 17849 10112 1 15 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.263 1.052 17849 10113 1 15 . 1 1 75 75 GLN H H 75 8.090 8.090 7.966 0.124 17849 10114 1 15 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.599 -0.212 17849 10115 1 15 . 1 1 77 77 LYS C C 77 176.410 176.410 177.299 -0.889 17849 10116 1 15 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.525 -0.483 17849 10117 1 15 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.784 0.373 17849 10118 1 15 . 1 1 78 78 SER N N 78 116.257 116.257 114.183 2.074 17849 10119 1 15 . 1 1 78 78 SER HA H 78 4.422 4.422 4.083 0.339 17849 10120 1 15 . 1 1 78 78 SER C C 78 174.436 174.436 174.538 -0.102 17849 10121 1 15 . 1 1 78 78 SER CA C 78 58.366 58.366 60.753 -2.387 17849 10122 1 15 . 1 1 78 78 SER CB C 78 63.855 63.855 63.298 0.557 17849 10123 1 15 . 1 1 78 78 SER H H 78 8.332 8.332 8.493 -0.161 17849 10124 1 15 . 1 1 79 79 ASN N N 79 120.267 120.267 117.061 3.206 17849 10125 1 15 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.560 0.167 17849 10126 1 15 . 1 1 79 79 ASN C C 79 174.966 174.966 175.308 -0.342 17849 10127 1 15 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.642 0.824 17849 10128 1 15 . 1 1 79 79 ASN CB C 79 38.869 38.869 38.892 -0.023 17849 10129 1 15 . 1 1 79 79 ASN H H 79 8.548 8.548 7.823 0.725 17849 10130 1 15 . 1 1 80 80 ASP N N 80 119.659 119.659 118.931 0.728 17849 10131 1 15 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.238 0.379 17849 10132 1 15 . 1 1 80 80 ASP C C 80 176.412 176.412 175.582 0.830 17849 10133 1 15 . 1 1 80 80 ASP CA C 80 54.710 54.710 56.533 -1.823 17849 10134 1 15 . 1 1 80 80 ASP CB C 80 41.223 41.223 41.114 0.109 17849 10135 1 15 . 1 1 80 80 ASP H H 80 8.325 8.325 8.712 -0.387 17849 10136 1 15 . 1 1 81 81 SER N N 81 115.425 115.425 111.288 4.137 17849 10137 1 15 . 1 1 81 81 SER HA H 81 4.414 4.414 4.573 -0.159 17849 10138 1 15 . 1 1 81 81 SER C C 81 174.733 174.733 173.589 1.144 17849 10139 1 15 . 1 1 81 81 SER CA C 81 59.183 59.183 57.486 1.697 17849 10140 1 15 . 1 1 81 81 SER CB C 81 63.784 63.784 64.892 -1.108 17849 10141 1 15 . 1 1 81 81 SER H H 81 8.256 8.256 7.426 0.830 17849 10142 1 15 . 1 1 82 82 GLU N N 82 121.456 121.456 123.113 -1.657 17849 10143 1 15 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.196 0.127 17849 10144 1 15 . 1 1 82 82 GLU C C 82 176.385 176.385 176.086 0.299 17849 10145 1 15 . 1 1 82 82 GLU CA C 82 56.728 56.728 58.230 -1.502 17849 10146 1 15 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.402 -0.530 17849 10147 1 15 . 1 1 82 82 GLU H H 82 8.375 8.375 8.541 -0.166 17849 10148 1 15 . 1 1 83 83 GLN N N 83 120.069 120.069 117.889 2.180 17849 10149 1 15 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.544 -0.239 17849 10150 1 15 . 1 1 83 83 GLN C C 83 176.054 176.054 176.675 -0.621 17849 10151 1 15 . 1 1 83 83 GLN CA C 83 56.147 56.147 54.846 1.301 17849 10152 1 15 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.827 -0.524 17849 10153 1 15 . 1 1 83 83 GLN H H 83 8.233 8.233 8.472 -0.239 17849 10154 1 15 . 1 1 84 84 GLU N N 84 122.390 122.390 119.388 3.002 17849 10155 1 15 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.432 -0.141 17849 10156 1 15 . 1 1 84 84 GLU C C 84 177.528 177.528 178.175 -0.647 17849 10157 1 15 . 1 1 84 84 GLU CA C 84 57.198 57.198 57.577 -0.379 17849 10158 1 15 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.684 0.429 17849 10159 1 15 . 1 1 84 84 GLU H H 84 8.567 8.567 8.854 -0.287 17849 10160 1 15 . 1 1 85 85 LEU N N 85 122.788 122.788 122.221 0.567 17849 10161 1 15 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.041 0.154 17849 10162 1 15 . 1 1 85 85 LEU CA C 85 56.517 56.517 58.130 -1.613 17849 10163 1 15 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.240 1.176 17849 10164 1 15 . 1 1 85 85 LEU H H 85 8.434 8.434 7.860 0.574 17849 10165 1 15 . 1 1 86 86 LEU N N 86 119.558 119.558 118.883 0.675 17849 10166 1 15 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.975 0.182 17849 10167 1 15 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.232 -2.113 17849 10168 1 15 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.421 0.137 17849 10169 1 15 . 1 1 86 86 LEU H H 86 8.037 8.037 8.773 -0.736 17849 10170 1 15 . 1 1 87 87 GLU N N 87 121.323 121.323 117.171 4.152 17849 10171 1 15 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.899 0.024 17849 10172 1 15 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.969 0.578 17849 10173 1 15 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.113 0.230 17849 10174 1 15 . 1 1 87 87 GLU H H 87 8.192 8.192 8.533 -0.341 17849 10175 1 15 . 1 1 88 88 ALA N N 88 119.942 119.942 119.998 -0.056 17849 10176 1 15 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.532 -0.456 17849 10177 1 15 . 1 1 88 88 ALA C C 88 178.281 178.281 177.993 0.288 17849 10178 1 15 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.396 1.085 17849 10179 1 15 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.627 -0.817 17849 10180 1 15 . 1 1 88 88 ALA H H 88 8.363 8.363 8.034 0.329 17849 10181 1 15 . 1 1 89 89 PHE N N 89 111.807 111.807 117.334 -5.527 17849 10182 1 15 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.082 0.407 17849 10183 1 15 . 1 1 89 89 PHE C C 89 176.632 176.632 176.463 0.169 17849 10184 1 15 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.705 0.773 17849 10185 1 15 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.691 -1.049 17849 10186 1 15 . 1 1 89 89 PHE H H 89 7.855 7.855 8.082 -0.227 17849 10187 1 15 . 1 1 90 90 LYS N N 90 120.375 120.375 122.205 -1.830 17849 10188 1 15 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.013 -0.015 17849 10189 1 15 . 1 1 90 90 LYS C C 90 178.490 178.490 177.966 0.524 17849 10190 1 15 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.222 1.772 17849 10191 1 15 . 1 1 90 90 LYS CB C 90 31.914 31.914 31.494 0.419 17849 10192 1 15 . 1 1 90 90 LYS H H 90 7.957 7.957 8.201 -0.244 17849 10193 1 15 . 1 1 91 91 VAL N N 91 116.643 116.643 115.847 0.796 17849 10194 1 15 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.889 -0.015 17849 10195 1 15 . 1 1 91 91 VAL C C 91 175.413 175.413 176.685 -1.272 17849 10196 1 15 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.213 -1.520 17849 10197 1 15 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.395 -0.161 17849 10198 1 15 . 1 1 91 91 VAL H H 91 7.389 7.389 7.262 0.127 17849 10199 1 15 . 1 1 92 92 PHE N N 92 115.769 115.769 114.346 1.423 17849 10200 1 15 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.347 0.173 17849 10201 1 15 . 1 1 92 92 PHE CA C 92 59.175 59.175 57.623 1.552 17849 10202 1 15 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.369 1.865 17849 10203 1 15 . 1 1 92 92 PHE H H 92 7.534 7.534 7.187 0.347 17849 10204 1 15 . 1 1 93 93 ASP N N 93 115.397 115.397 119.891 -4.494 17849 10205 1 15 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.885 -0.027 17849 10206 1 15 . 1 1 93 93 ASP C C 93 177.421 177.421 177.388 0.033 17849 10207 1 15 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.460 -0.994 17849 10208 1 15 . 1 1 93 93 ASP CB C 93 38.980 38.980 39.725 -0.745 17849 10209 1 15 . 1 1 93 93 ASP H H 93 7.543 7.543 7.821 -0.278 17849 10210 1 15 . 1 1 94 94 LYS N N 94 125.591 125.591 123.604 1.987 17849 10211 1 15 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.210 -0.131 17849 10212 1 15 . 1 1 94 94 LYS C C 94 177.856 177.856 177.462 0.394 17849 10213 1 15 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.861 0.069 17849 10214 1 15 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.350 0.044 17849 10215 1 15 . 1 1 94 94 LYS H H 94 7.873 7.873 8.054 -0.181 17849 10216 1 15 . 1 1 95 95 ASN N N 95 112.796 112.796 115.230 -2.434 17849 10217 1 15 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.693 0.104 17849 10218 1 15 . 1 1 95 95 ASN C C 95 176.619 176.619 175.669 0.950 17849 10219 1 15 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.925 -1.015 17849 10220 1 15 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.453 -1.177 17849 10221 1 15 . 1 1 95 95 ASN H H 95 8.272 8.272 7.895 0.377 17849 10222 1 15 . 1 1 96 96 GLY N N 96 109.132 109.132 109.599 -0.467 17849 10223 1 15 . 1 1 96 96 GLY C C 96 174.799 174.799 174.307 0.492 17849 10224 1 15 . 1 1 96 96 GLY CA C 96 47.571 47.571 45.938 1.633 17849 10225 1 15 . 1 1 96 96 GLY H H 96 7.654 7.654 7.732 -0.078 17849 10226 1 15 . 1 1 97 97 ASP N N 97 118.796 118.796 121.180 -2.384 17849 10227 1 15 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.674 -0.144 17849 10228 1 15 . 1 1 97 97 ASP C C 97 177.137 177.137 177.399 -0.262 17849 10229 1 15 . 1 1 97 97 ASP CA C 97 53.392 53.392 54.352 -0.961 17849 10230 1 15 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.809 -1.419 17849 10231 1 15 . 1 1 97 97 ASP H H 97 8.090 8.090 8.279 -0.189 17849 10232 1 15 . 1 1 98 98 GLY N N 98 112.962 112.962 107.658 5.304 17849 10233 1 15 . 1 1 98 98 GLY C C 98 172.142 172.142 173.520 -1.378 17849 10234 1 15 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.215 0.509 17849 10235 1 15 . 1 1 98 98 GLY H H 98 10.329 10.329 7.824 2.505 17849 10236 1 15 . 1 1 99 99 LEU N N 99 119.691 119.691 119.457 0.234 17849 10237 1 15 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.677 0.085 17849 10238 1 15 . 1 1 99 99 LEU C C 99 176.162 176.162 174.311 1.851 17849 10239 1 15 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.047 -1.224 17849 10240 1 15 . 1 1 99 99 LEU CB C 99 44.782 44.782 44.612 0.170 17849 10241 1 15 . 1 1 99 99 LEU H H 99 8.000 8.000 8.209 -0.209 17849 10242 1 15 . 1 1 100 100 ILE N N 100 127.464 127.464 119.034 8.430 17849 10243 1 15 . 1 1 100 100 ILE HA H 100 4.674 4.674 5.023 -0.349 17849 10244 1 15 . 1 1 100 100 ILE C C 100 175.006 175.006 174.641 0.365 17849 10245 1 15 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.791 1.629 17849 10246 1 15 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.364 -2.553 17849 10247 1 15 . 1 1 100 100 ILE H H 100 9.491 9.491 7.904 1.587 17849 10248 1 15 . 1 1 101 101 SER N N 101 123.104 123.104 117.954 5.150 17849 10249 1 15 . 1 1 101 101 SER HA H 101 4.770 4.770 4.648 0.122 17849 10250 1 15 . 1 1 101 101 SER C C 101 174.847 174.847 175.630 -0.783 17849 10251 1 15 . 1 1 101 101 SER CA C 101 55.854 55.854 56.474 -0.620 17849 10252 1 15 . 1 1 101 101 SER CB C 101 65.994 65.994 65.082 0.912 17849 10253 1 15 . 1 1 101 101 SER H H 101 9.058 9.058 8.324 0.734 17849 10254 1 15 . 1 1 102 102 ALA N N 102 124.316 124.316 124.293 0.023 17849 10255 1 15 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.566 -0.950 17849 10256 1 15 . 1 1 102 102 ALA C C 102 179.388 179.388 179.082 0.306 17849 10257 1 15 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.086 0.638 17849 10258 1 15 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.482 -1.167 17849 10259 1 15 . 1 1 102 102 ALA H H 102 8.587 8.587 8.877 -0.290 17849 10260 1 15 . 1 1 103 103 ALA N N 103 118.346 118.346 121.188 -2.842 17849 10261 1 15 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.896 0.104 17849 10262 1 15 . 1 1 103 103 ALA C C 103 181.188 181.188 179.252 1.936 17849 10263 1 15 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.997 0.061 17849 10264 1 15 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.008 0.381 17849 10265 1 15 . 1 1 103 103 ALA H H 103 8.266 8.266 8.600 -0.334 17849 10266 1 15 . 1 1 104 104 GLU N N 104 120.568 120.568 118.784 1.784 17849 10267 1 15 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.028 0.028 17849 10268 1 15 . 1 1 104 104 GLU C C 104 178.762 178.762 178.572 0.190 17849 10269 1 15 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.443 0.525 17849 10270 1 15 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.498 -0.587 17849 10271 1 15 . 1 1 104 104 GLU H H 104 7.928 7.928 7.986 -0.058 17849 10272 1 15 . 1 1 105 105 LEU N N 105 117.903 117.903 116.154 1.749 17849 10273 1 15 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.598 0.431 17849 10274 1 15 . 1 1 105 105 LEU C C 105 178.497 178.497 178.552 -0.055 17849 10275 1 15 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.555 0.898 17849 10276 1 15 . 1 1 105 105 LEU CB C 105 43.192 43.192 41.292 1.900 17849 10277 1 15 . 1 1 105 105 LEU H H 105 7.926 7.926 7.615 0.311 17849 10278 1 15 . 1 1 106 106 LYS N N 106 115.836 115.836 117.743 -1.907 17849 10279 1 15 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.122 -0.323 17849 10280 1 15 . 1 1 106 106 LYS C C 106 179.102 179.102 178.770 0.332 17849 10281 1 15 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.113 1.059 17849 10282 1 15 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.664 -0.054 17849 10283 1 15 . 1 1 106 106 LYS H H 106 8.337 8.337 8.229 0.108 17849 10284 1 15 . 1 1 107 107 HIS N N 107 119.620 119.620 119.667 -0.047 17849 10285 1 15 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.458 -0.204 17849 10286 1 15 . 1 1 107 107 HIS C C 107 178.167 178.167 177.685 0.482 17849 10287 1 15 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.713 1.215 17849 10288 1 15 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.378 0.206 17849 10289 1 15 . 1 1 107 107 HIS H H 107 8.502 8.502 8.278 0.224 17849 10290 1 15 . 1 1 108 108 VAL N N 108 118.595 118.595 121.207 -2.612 17849 10291 1 15 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.706 -0.050 17849 10292 1 15 . 1 1 108 108 VAL C C 108 178.608 178.608 176.483 2.125 17849 10293 1 15 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.763 0.593 17849 10294 1 15 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.497 0.818 17849 10295 1 15 . 1 1 108 108 VAL H H 108 8.348 8.348 7.722 0.626 17849 10296 1 15 . 1 1 109 109 LEU N N 109 116.755 116.755 116.371 0.384 17849 10297 1 15 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.934 0.210 17849 10298 1 15 . 1 1 109 109 LEU C C 109 179.267 179.267 177.949 1.318 17849 10299 1 15 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.102 0.352 17849 10300 1 15 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.526 0.577 17849 10301 1 15 . 1 1 109 109 LEU H H 109 8.251 8.251 7.298 0.953 17849 10302 1 15 . 1 1 110 110 THR N N 110 111.046 111.046 111.218 -0.172 17849 10303 1 15 . 1 1 110 110 THR HA H 110 4.256 4.256 4.228 0.028 17849 10304 1 15 . 1 1 110 110 THR C C 110 175.897 175.897 175.187 0.710 17849 10305 1 15 . 1 1 110 110 THR CA C 110 64.465 64.465 62.944 1.521 17849 10306 1 15 . 1 1 110 110 THR CB C 110 69.431 69.431 68.956 0.475 17849 10307 1 15 . 1 1 110 110 THR H H 110 8.085 8.085 7.711 0.374 17849 10308 1 15 . 1 1 111 111 SER N N 111 117.074 117.074 118.774 -1.700 17849 10309 1 15 . 1 1 111 111 SER HA H 111 4.406 4.406 4.309 0.097 17849 10310 1 15 . 1 1 111 111 SER C C 111 175.051 175.051 175.631 -0.580 17849 10311 1 15 . 1 1 111 111 SER CA C 111 59.968 59.968 60.743 -0.775 17849 10312 1 15 . 1 1 111 111 SER CB C 111 63.391 63.391 63.704 -0.313 17849 10313 1 15 . 1 1 111 111 SER H H 111 7.681 7.681 7.502 0.179 17849 10314 1 15 . 1 1 112 112 ILE N N 112 119.783 119.783 115.366 4.417 17849 10315 1 15 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.864 0.227 17849 10316 1 15 . 1 1 112 112 ILE C C 112 177.040 177.040 175.312 1.728 17849 10317 1 15 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.859 0.665 17849 10318 1 15 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.176 3.168 17849 10319 1 15 . 1 1 112 112 ILE H H 112 7.444 7.444 7.630 -0.186 17849 10320 1 15 . 1 1 113 113 GLY N N 113 110.432 110.432 109.075 1.357 17849 10321 1 15 . 1 1 113 113 GLY C C 113 174.442 174.442 174.784 -0.342 17849 10322 1 15 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.097 0.546 17849 10323 1 15 . 1 1 113 113 GLY H H 113 8.148 8.148 7.598 0.550 17849 10324 1 15 . 1 1 114 114 GLU N N 114 120.374 120.374 124.788 -4.414 17849 10325 1 15 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.092 0.174 17849 10326 1 15 . 1 1 114 114 GLU C C 114 176.556 176.556 177.180 -0.624 17849 10327 1 15 . 1 1 114 114 GLU CA C 114 56.773 56.773 57.285 -0.512 17849 10328 1 15 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.902 0.388 17849 10329 1 15 . 1 1 114 114 GLU H H 114 8.092 8.092 8.699 -0.607 17849 10330 1 15 . 1 1 115 115 LYS N N 115 121.383 121.383 120.872 0.511 17849 10331 1 15 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.136 0.199 17849 10332 1 15 . 1 1 115 115 LYS C C 115 176.654 176.654 174.831 1.823 17849 10333 1 15 . 1 1 115 115 LYS CA C 115 56.299 56.299 57.043 -0.744 17849 10334 1 15 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.019 1.820 17849 10335 1 15 . 1 1 115 115 LYS H H 115 8.221 8.221 8.139 0.082 17849 10336 1 15 . 1 1 116 116 LEU N N 116 123.146 123.146 117.934 5.212 17849 10337 1 15 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.768 -0.347 17849 10338 1 15 . 1 1 116 116 LEU C C 116 177.677 177.677 174.952 2.725 17849 10339 1 15 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.790 0.530 17849 10340 1 15 . 1 1 116 116 LEU CB C 116 42.309 42.309 44.648 -2.338 17849 10341 1 15 . 1 1 116 116 LEU H H 116 8.265 8.265 8.079 0.186 17849 10342 1 15 . 1 1 117 117 THR N N 117 113.859 113.859 110.706 3.153 17849 10343 1 15 . 1 1 117 117 THR HA H 117 4.337 4.337 4.475 -0.138 17849 10344 1 15 . 1 1 117 117 THR C C 117 174.535 174.535 173.480 1.055 17849 10345 1 15 . 1 1 117 117 THR CA C 117 61.824 61.824 60.829 0.995 17849 10346 1 15 . 1 1 117 117 THR CB C 117 70.096 70.096 71.696 -1.600 17849 10347 1 15 . 1 1 117 117 THR H H 117 8.182 8.182 8.401 -0.219 17849 10348 1 15 . 1 1 118 118 ASP N N 118 122.049 122.049 119.723 2.326 17849 10349 1 15 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.511 0.022 17849 10350 1 15 . 1 1 118 118 ASP C C 118 176.728 176.728 176.421 0.307 17849 10351 1 15 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.601 -0.383 17849 10352 1 15 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.845 0.007 17849 10353 1 15 . 1 1 118 118 ASP H H 118 8.367 8.367 8.609 -0.242 17849 10354 1 15 . 1 1 119 119 ALA N N 119 123.432 123.432 120.472 2.960 17849 10355 1 15 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.303 -0.084 17849 10356 1 15 . 1 1 119 119 ALA C C 119 178.486 178.486 177.547 0.939 17849 10357 1 15 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.234 1.199 17849 10358 1 15 . 1 1 119 119 ALA CB C 119 19.075 19.075 17.903 1.172 17849 10359 1 15 . 1 1 119 119 ALA H H 119 8.206 8.206 7.902 0.304 17849 10360 1 15 . 1 1 120 120 GLU N N 120 118.592 118.592 118.277 0.315 17849 10361 1 15 . 1 1 120 120 GLU HA H 120 4.182 4.182 3.910 0.272 17849 10362 1 15 . 1 1 120 120 GLU C C 120 177.133 177.133 177.198 -0.065 17849 10363 1 15 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.725 -1.620 17849 10364 1 15 . 1 1 120 120 GLU CB C 120 30.052 30.052 30.019 0.033 17849 10365 1 15 . 1 1 120 120 GLU H H 120 8.187 8.187 7.781 0.406 17849 10366 1 15 . 1 1 121 121 LEU N N 121 121.427 121.427 114.693 6.734 17849 10367 1 15 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.178 0.026 17849 10368 1 15 . 1 1 121 121 LEU C C 121 177.710 177.710 177.479 0.231 17849 10369 1 15 . 1 1 121 121 LEU CA C 121 55.752 55.752 54.373 1.379 17849 10370 1 15 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.773 -0.515 17849 10371 1 15 . 1 1 121 121 LEU H H 121 8.020 8.020 7.313 0.707 17849 10372 1 15 . 1 1 122 122 GLU N N 122 119.850 119.850 116.218 3.632 17849 10373 1 15 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.371 -0.244 17849 10374 1 15 . 1 1 122 122 GLU C C 122 176.518 176.518 176.423 0.095 17849 10375 1 15 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.156 -0.142 17849 10376 1 15 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.516 0.540 17849 10377 1 15 . 1 1 122 122 GLU H H 122 8.118 8.118 7.637 0.481 17849 10378 1 15 . 1 1 123 123 HIS N N 123 118.817 118.817 116.656 2.161 17849 10379 1 15 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.391 0.868 17849 10380 1 15 . 1 1 123 123 HIS H H 123 8.106 8.106 7.627 0.479 17849 10381 1 16 . 1 1 2 2 SER HA H 2 4.507 4.507 4.378 0.129 17849 10382 1 16 . 1 1 2 2 SER CA C 2 58.342 58.342 58.880 -0.538 17849 10383 1 16 . 1 1 2 2 SER CB C 2 63.883 63.883 64.149 -0.266 17849 10384 1 16 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.867 -0.103 17849 10385 1 16 . 1 1 3 3 ASN C C 3 174.784 174.784 174.994 -0.210 17849 10386 1 16 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.453 0.672 17849 10387 1 16 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.812 -1.919 17849 10388 1 16 . 1 1 4 4 LEU N N 4 121.466 121.466 120.762 0.704 17849 10389 1 16 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.343 0.357 17849 10390 1 16 . 1 1 4 4 LEU C C 4 177.665 177.665 177.672 -0.007 17849 10391 1 16 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.982 -1.470 17849 10392 1 16 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.109 1.530 17849 10393 1 16 . 1 1 4 4 LEU H H 4 8.097 8.097 8.495 -0.398 17849 10394 1 16 . 1 1 5 5 THR N N 5 112.990 112.990 110.971 2.019 17849 10395 1 16 . 1 1 5 5 THR HA H 5 4.481 4.481 4.611 -0.130 17849 10396 1 16 . 1 1 5 5 THR C C 5 175.474 175.474 175.488 -0.014 17849 10397 1 16 . 1 1 5 5 THR CA C 5 60.528 60.528 60.450 0.078 17849 10398 1 16 . 1 1 5 5 THR CB C 5 71.244 71.244 70.807 0.437 17849 10399 1 16 . 1 1 5 5 THR H H 5 8.778 8.778 8.033 0.745 17849 10400 1 16 . 1 1 6 6 GLU N N 6 120.343 120.343 123.168 -2.825 17849 10401 1 16 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.900 0.102 17849 10402 1 16 . 1 1 6 6 GLU C C 6 179.568 179.568 178.462 1.106 17849 10403 1 16 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.384 -0.208 17849 10404 1 16 . 1 1 6 6 GLU CB C 6 29.225 29.225 28.762 0.463 17849 10405 1 16 . 1 1 6 6 GLU H H 6 9.078 9.078 8.925 0.153 17849 10406 1 16 . 1 1 7 7 GLU N N 7 119.544 119.544 119.242 0.302 17849 10407 1 16 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.001 0.110 17849 10408 1 16 . 1 1 7 7 GLU C C 7 179.170 179.170 179.367 -0.197 17849 10409 1 16 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.416 0.620 17849 10410 1 16 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.189 -0.072 17849 10411 1 16 . 1 1 7 7 GLU H H 7 8.820 8.820 8.622 0.198 17849 10412 1 16 . 1 1 8 8 GLN N N 8 119.824 119.824 118.209 1.615 17849 10413 1 16 . 1 1 8 8 GLN HA H 8 4.164 4.164 4.114 0.050 17849 10414 1 16 . 1 1 8 8 GLN C C 8 179.652 179.652 179.044 0.608 17849 10415 1 16 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.750 0.002 17849 10416 1 16 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.781 0.958 17849 10417 1 16 . 1 1 8 8 GLN H H 8 7.812 7.812 7.471 0.341 17849 10418 1 16 . 1 1 9 9 ILE N N 9 120.978 120.978 120.833 0.145 17849 10419 1 16 . 1 1 9 9 ILE HA H 9 3.852 3.852 4.124 -0.272 17849 10420 1 16 . 1 1 9 9 ILE C C 9 177.899 177.899 178.392 -0.493 17849 10421 1 16 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.802 0.774 17849 10422 1 16 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.636 0.353 17849 10423 1 16 . 1 1 9 9 ILE H H 9 8.634 8.634 8.257 0.377 17849 10424 1 16 . 1 1 10 10 ALA N N 10 121.528 121.528 121.160 0.368 17849 10425 1 16 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.067 0.039 17849 10426 1 16 . 1 1 10 10 ALA C C 10 180.886 180.886 179.743 1.143 17849 10427 1 16 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.556 -0.138 17849 10428 1 16 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.946 -0.171 17849 10429 1 16 . 1 1 10 10 ALA H H 10 8.142 8.142 8.506 -0.364 17849 10430 1 16 . 1 1 11 11 GLU N N 11 118.807 118.807 117.578 1.229 17849 10431 1 16 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.151 0.063 17849 10432 1 16 . 1 1 11 11 GLU C C 11 180.292 180.292 178.852 1.440 17849 10433 1 16 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.838 0.526 17849 10434 1 16 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.547 0.242 17849 10435 1 16 . 1 1 11 11 GLU H H 11 7.810 7.810 8.127 -0.317 17849 10436 1 16 . 1 1 12 12 PHE N N 12 118.671 118.671 120.042 -1.371 17849 10437 1 16 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.447 0.200 17849 10438 1 16 . 1 1 12 12 PHE C C 12 179.032 179.032 177.735 1.297 17849 10439 1 16 . 1 1 12 12 PHE CA C 12 63.160 63.160 61.028 2.132 17849 10440 1 16 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.802 0.213 17849 10441 1 16 . 1 1 12 12 PHE H H 12 8.432 8.432 7.573 0.859 17849 10442 1 16 . 1 1 13 13 LYS N N 13 123.536 123.536 119.231 4.305 17849 10443 1 16 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.273 -0.433 17849 10444 1 16 . 1 1 13 13 LYS C C 13 179.114 179.114 179.181 -0.067 17849 10445 1 16 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.342 -0.254 17849 10446 1 16 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.259 -0.607 17849 10447 1 16 . 1 1 13 13 LYS H H 13 8.981 8.981 8.871 0.110 17849 10448 1 16 . 1 1 14 14 GLU N N 14 119.691 119.691 118.935 0.756 17849 10449 1 16 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.357 -0.260 17849 10450 1 16 . 1 1 14 14 GLU C C 14 179.285 179.285 178.496 0.789 17849 10451 1 16 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.346 0.898 17849 10452 1 16 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.838 -0.197 17849 10453 1 16 . 1 1 14 14 GLU H H 14 7.737 7.737 7.685 0.052 17849 10454 1 16 . 1 1 15 15 ALA N N 15 120.127 120.127 123.009 -2.882 17849 10455 1 16 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.147 0.020 17849 10456 1 16 . 1 1 15 15 ALA C C 15 178.607 178.607 179.569 -0.962 17849 10457 1 16 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.004 0.055 17849 10458 1 16 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.489 0.642 17849 10459 1 16 . 1 1 15 15 ALA H H 15 7.747 7.747 7.738 0.009 17849 10460 1 16 . 1 1 16 16 PHE N N 16 119.058 119.058 118.015 1.043 17849 10461 1 16 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.170 -0.863 17849 10462 1 16 . 1 1 16 16 PHE C C 16 177.236 177.236 176.634 0.602 17849 10463 1 16 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.546 1.159 17849 10464 1 16 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.083 0.669 17849 10465 1 16 . 1 1 16 16 PHE H H 16 8.908 8.908 8.659 0.249 17849 10466 1 16 . 1 1 17 17 ALA N N 17 119.352 119.352 122.175 -2.823 17849 10467 1 16 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.151 -0.028 17849 10468 1 16 . 1 1 17 17 ALA C C 17 178.680 178.680 178.850 -0.170 17849 10469 1 16 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.908 -0.369 17849 10470 1 16 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.383 -0.168 17849 10471 1 16 . 1 1 17 17 ALA H H 17 7.877 7.877 7.590 0.287 17849 10472 1 16 . 1 1 18 18 LEU N N 18 115.281 115.281 117.353 -2.072 17849 10473 1 16 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.013 0.042 17849 10474 1 16 . 1 1 18 18 LEU C C 18 178.393 178.393 178.081 0.312 17849 10475 1 16 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.374 -0.732 17849 10476 1 16 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.268 0.475 17849 10477 1 16 . 1 1 18 18 LEU H H 18 7.369 7.369 8.273 -0.904 17849 10478 1 16 . 1 1 19 19 PHE N N 19 115.719 115.719 114.921 0.798 17849 10479 1 16 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.329 -0.120 17849 10480 1 16 . 1 1 19 19 PHE C C 19 176.704 176.704 176.014 0.690 17849 10481 1 16 . 1 1 19 19 PHE CA C 19 59.233 59.233 60.041 -0.807 17849 10482 1 16 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.224 1.446 17849 10483 1 16 . 1 1 19 19 PHE H H 19 7.468 7.468 7.825 -0.357 17849 10484 1 16 . 1 1 20 20 ASP N N 20 117.209 117.209 119.114 -1.905 17849 10485 1 16 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.473 -0.012 17849 10486 1 16 . 1 1 20 20 ASP C C 20 176.557 176.557 176.367 0.190 17849 10487 1 16 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.641 -3.396 17849 10488 1 16 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.069 -2.922 17849 10489 1 16 . 1 1 20 20 ASP H H 20 7.488 7.488 8.017 -0.529 17849 10490 1 16 . 1 1 21 21 LYS N N 21 124.086 124.086 124.937 -0.851 17849 10491 1 16 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.199 -0.201 17849 10492 1 16 . 1 1 21 21 LYS C C 21 177.844 177.844 177.545 0.299 17849 10493 1 16 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.236 0.072 17849 10494 1 16 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.813 -0.361 17849 10495 1 16 . 1 1 21 21 LYS H H 21 7.376 7.376 8.674 -1.298 17849 10496 1 16 . 1 1 22 22 ASP N N 22 114.097 114.097 115.575 -1.478 17849 10497 1 16 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.596 0.008 17849 10498 1 16 . 1 1 22 22 ASP C C 22 176.349 176.349 176.203 0.146 17849 10499 1 16 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.388 -0.685 17849 10500 1 16 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.684 -1.329 17849 10501 1 16 . 1 1 22 22 ASP H H 22 8.113 8.113 8.291 -0.178 17849 10502 1 16 . 1 1 23 23 ASN N N 23 115.562 115.562 118.673 -3.111 17849 10503 1 16 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.544 -0.149 17849 10504 1 16 . 1 1 23 23 ASN C C 23 174.864 174.864 174.792 0.072 17849 10505 1 16 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.603 0.797 17849 10506 1 16 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.530 0.394 17849 10507 1 16 . 1 1 23 23 ASN H H 23 8.048 8.048 8.635 -0.587 17849 10508 1 16 . 1 1 24 24 ASN N N 24 117.615 117.615 118.656 -1.041 17849 10509 1 16 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.800 0.035 17849 10510 1 16 . 1 1 24 24 ASN C C 24 177.445 177.445 176.329 1.116 17849 10511 1 16 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.466 -1.051 17849 10512 1 16 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.423 -0.942 17849 10513 1 16 . 1 1 24 24 ASN H H 24 8.517 8.517 9.155 -0.638 17849 10514 1 16 . 1 1 25 25 GLY N N 25 114.308 114.308 108.046 6.262 17849 10515 1 16 . 1 1 25 25 GLY C C 25 173.105 173.105 173.613 -0.508 17849 10516 1 16 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.963 0.517 17849 10517 1 16 . 1 1 25 25 GLY H H 25 10.729 10.729 9.135 1.594 17849 10518 1 16 . 1 1 26 26 SER N N 26 113.267 113.267 117.123 -3.856 17849 10519 1 16 . 1 1 26 26 SER HA H 26 5.330 5.330 5.637 -0.307 17849 10520 1 16 . 1 1 26 26 SER C C 26 172.610 172.610 173.888 -1.278 17849 10521 1 16 . 1 1 26 26 SER CA C 26 57.375 57.375 57.543 -0.168 17849 10522 1 16 . 1 1 26 26 SER CB C 26 66.504 66.504 66.487 0.017 17849 10523 1 16 . 1 1 26 26 SER H H 26 7.773 7.773 7.872 -0.099 17849 10524 1 16 . 1 1 27 27 ILE N N 27 127.124 127.124 123.056 4.068 17849 10525 1 16 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.423 0.465 17849 10526 1 16 . 1 1 27 27 ILE C C 27 175.876 175.876 175.158 0.718 17849 10527 1 16 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.328 -0.292 17849 10528 1 16 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.386 -2.490 17849 10529 1 16 . 1 1 27 27 ILE H H 27 9.848 9.848 8.291 1.557 17849 10530 1 16 . 1 1 28 28 SER N N 28 124.825 124.825 118.550 6.275 17849 10531 1 16 . 1 1 28 28 SER HA H 28 4.771 4.771 5.310 -0.539 17849 10532 1 16 . 1 1 28 28 SER C C 28 175.395 175.395 175.772 -0.377 17849 10533 1 16 . 1 1 28 28 SER CA C 28 56.680 56.680 55.172 1.508 17849 10534 1 16 . 1 1 28 28 SER CB C 28 66.154 66.154 65.810 0.344 17849 10535 1 16 . 1 1 28 28 SER H H 28 9.347 9.347 8.206 1.141 17849 10536 1 16 . 1 1 29 29 SER N N 29 116.882 116.882 121.677 -4.795 17849 10537 1 16 . 1 1 29 29 SER HA H 29 4.144 4.144 4.116 0.028 17849 10538 1 16 . 1 1 29 29 SER C C 29 176.516 176.516 176.603 -0.087 17849 10539 1 16 . 1 1 29 29 SER CA C 29 62.634 62.634 61.968 0.666 17849 10540 1 16 . 1 1 29 29 SER CB C 29 62.227 62.227 62.780 -0.553 17849 10541 1 16 . 1 1 29 29 SER H H 29 9.604 9.604 9.227 0.377 17849 10542 1 16 . 1 1 30 30 SER N N 30 116.141 116.141 117.818 -1.677 17849 10543 1 16 . 1 1 30 30 SER HA H 30 4.327 4.327 4.094 0.233 17849 10544 1 16 . 1 1 30 30 SER C C 30 177.965 177.965 176.353 1.612 17849 10545 1 16 . 1 1 30 30 SER CA C 30 61.341 61.341 62.362 -1.021 17849 10546 1 16 . 1 1 30 30 SER CB C 30 62.429 62.429 62.902 -0.473 17849 10547 1 16 . 1 1 30 30 SER H H 30 8.184 8.184 7.862 0.322 17849 10548 1 16 . 1 1 31 31 GLU N N 31 124.933 124.933 121.390 3.543 17849 10549 1 16 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.030 0.061 17849 10550 1 16 . 1 1 31 31 GLU C C 31 179.355 179.355 178.692 0.663 17849 10551 1 16 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.963 0.479 17849 10552 1 16 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.341 -0.007 17849 10553 1 16 . 1 1 31 31 GLU H H 31 7.973 7.973 8.314 -0.341 17849 10554 1 16 . 1 1 32 32 LEU N N 32 120.778 120.778 119.804 0.974 17849 10555 1 16 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.290 -0.123 17849 10556 1 16 . 1 1 32 32 LEU C C 32 178.364 178.364 177.909 0.455 17849 10557 1 16 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.461 0.886 17849 10558 1 16 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.113 -0.002 17849 10559 1 16 . 1 1 32 32 LEU H H 32 8.616 8.616 8.138 0.478 17849 10560 1 16 . 1 1 33 33 ALA N N 33 120.423 120.423 120.938 -0.515 17849 10561 1 16 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.076 -0.200 17849 10562 1 16 . 1 1 33 33 ALA C C 33 179.394 179.394 179.602 -0.208 17849 10563 1 16 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.260 0.528 17849 10564 1 16 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.091 0.426 17849 10565 1 16 . 1 1 33 33 ALA H H 33 8.688 8.688 8.521 0.167 17849 10566 1 16 . 1 1 34 34 THR N N 34 114.299 114.299 114.325 -0.026 17849 10567 1 16 . 1 1 34 34 THR HA H 34 3.902 3.902 4.114 -0.212 17849 10568 1 16 . 1 1 34 34 THR C C 34 177.161 177.161 176.092 1.069 17849 10569 1 16 . 1 1 34 34 THR CA C 34 67.173 67.173 66.851 0.322 17849 10570 1 16 . 1 1 34 34 THR CB C 34 68.712 68.712 68.687 0.025 17849 10571 1 16 . 1 1 34 34 THR H H 34 8.219 8.219 8.376 -0.157 17849 10572 1 16 . 1 1 35 35 VAL N N 35 122.638 122.638 121.564 1.074 17849 10573 1 16 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.676 -0.092 17849 10574 1 16 . 1 1 35 35 VAL C C 35 178.403 178.403 177.167 1.236 17849 10575 1 16 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.984 0.900 17849 10576 1 16 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.698 -0.337 17849 10577 1 16 . 1 1 35 35 VAL H H 35 7.791 7.791 7.804 -0.013 17849 10578 1 16 . 1 1 36 36 MET N N 36 117.307 117.307 118.603 -1.296 17849 10579 1 16 . 1 1 36 36 MET HA H 36 3.906 3.906 4.021 -0.115 17849 10580 1 16 . 1 1 36 36 MET C C 36 178.456 178.456 178.250 0.206 17849 10581 1 16 . 1 1 36 36 MET CA C 36 59.787 59.787 58.930 0.857 17849 10582 1 16 . 1 1 36 36 MET CB C 36 32.548 32.548 31.638 0.910 17849 10583 1 16 . 1 1 36 36 MET H H 36 8.308 8.308 8.037 0.271 17849 10584 1 16 . 1 1 37 37 ARG N N 37 118.384 118.384 117.300 1.084 17849 10585 1 16 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.142 0.615 17849 10586 1 16 . 1 1 37 37 ARG C C 37 181.371 181.371 178.913 2.458 17849 10587 1 16 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.808 0.079 17849 10588 1 16 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.045 1.053 17849 10589 1 16 . 1 1 37 37 ARG H H 37 8.634 8.634 7.809 0.825 17849 10590 1 16 . 1 1 38 38 SER N N 38 118.916 118.916 114.120 4.796 17849 10591 1 16 . 1 1 38 38 SER HA H 38 4.339 4.339 4.210 0.129 17849 10592 1 16 . 1 1 38 38 SER C C 38 174.705 174.705 176.415 -1.710 17849 10593 1 16 . 1 1 38 38 SER CA C 38 61.793 61.793 60.604 1.189 17849 10594 1 16 . 1 1 38 38 SER CB C 38 62.713 62.713 63.135 -0.422 17849 10595 1 16 . 1 1 38 38 SER H H 38 8.226 8.226 7.885 0.341 17849 10596 1 16 . 1 1 39 39 LEU N N 39 119.948 119.948 120.352 -0.404 17849 10597 1 16 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.025 0.271 17849 10598 1 16 . 1 1 39 39 LEU C C 39 176.723 176.723 178.157 -1.434 17849 10599 1 16 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.440 -2.880 17849 10600 1 16 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.513 -0.524 17849 10601 1 16 . 1 1 39 39 LEU H H 39 7.331 7.331 7.830 -0.499 17849 10602 1 16 . 1 1 40 40 GLY N N 40 105.997 105.997 103.599 2.398 17849 10603 1 16 . 1 1 40 40 GLY C C 40 174.405 174.405 173.616 0.789 17849 10604 1 16 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.228 -0.040 17849 10605 1 16 . 1 1 40 40 GLY H H 40 7.889 7.889 8.104 -0.215 17849 10606 1 16 . 1 1 41 41 LEU N N 41 120.071 120.071 120.716 -0.645 17849 10607 1 16 . 1 1 41 41 LEU HA H 41 4.486 4.486 5.021 -0.535 17849 10608 1 16 . 1 1 41 41 LEU C C 41 175.829 175.829 175.043 0.786 17849 10609 1 16 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.187 1.000 17849 10610 1 16 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.632 -1.059 17849 10611 1 16 . 1 1 41 41 LEU H H 41 7.592 7.592 7.712 -0.120 17849 10612 1 16 . 1 1 42 42 SER N N 42 112.869 112.869 113.312 -0.443 17849 10613 1 16 . 1 1 42 42 SER HA H 42 4.797 4.797 4.821 -0.024 17849 10614 1 16 . 1 1 42 42 SER CA C 42 54.960 54.960 55.364 -0.404 17849 10615 1 16 . 1 1 42 42 SER CB C 42 63.177 63.177 64.358 -1.181 17849 10616 1 16 . 1 1 42 42 SER H H 42 8.761 8.761 8.214 0.547 17849 10617 1 16 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.492 0.216 17849 10618 1 16 . 1 1 43 43 PRO C C 43 177.533 177.533 176.109 1.424 17849 10619 1 16 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.551 -0.376 17849 10620 1 16 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.351 -0.477 17849 10621 1 16 . 1 1 44 44 SER N N 44 119.089 119.089 118.130 0.959 17849 10622 1 16 . 1 1 44 44 SER HA H 44 4.574 4.574 4.497 0.077 17849 10623 1 16 . 1 1 44 44 SER C C 44 174.803 174.803 175.654 -0.851 17849 10624 1 16 . 1 1 44 44 SER CA C 44 56.786 56.786 57.927 -1.141 17849 10625 1 16 . 1 1 44 44 SER CB C 44 65.387 65.387 64.324 1.063 17849 10626 1 16 . 1 1 44 44 SER H H 44 9.014 9.014 8.352 0.662 17849 10627 1 16 . 1 1 45 45 GLU N N 45 121.343 121.343 125.703 -4.360 17849 10628 1 16 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.844 0.100 17849 10629 1 16 . 1 1 45 45 GLU C C 45 178.978 178.978 178.342 0.636 17849 10630 1 16 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.449 -0.343 17849 10631 1 16 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.710 -0.407 17849 10632 1 16 . 1 1 45 45 GLU H H 45 8.925 8.925 9.006 -0.081 17849 10633 1 16 . 1 1 46 46 ALA N N 46 120.822 120.822 119.649 1.173 17849 10634 1 16 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.160 -0.014 17849 10635 1 16 . 1 1 46 46 ALA C C 46 179.782 179.782 179.399 0.383 17849 10636 1 16 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.505 0.581 17849 10637 1 16 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.801 0.455 17849 10638 1 16 . 1 1 46 46 ALA H H 46 8.339 8.339 8.438 -0.099 17849 10639 1 16 . 1 1 47 47 GLU N N 47 118.432 118.432 117.611 0.821 17849 10640 1 16 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.287 -0.213 17849 10641 1 16 . 1 1 47 47 GLU C C 47 180.222 180.222 178.761 1.461 17849 10642 1 16 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.370 0.839 17849 10643 1 16 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.799 0.086 17849 10644 1 16 . 1 1 47 47 GLU H H 47 7.759 7.759 7.937 -0.178 17849 10645 1 16 . 1 1 48 48 VAL N N 48 120.023 120.023 121.411 -1.388 17849 10646 1 16 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.787 -0.289 17849 10647 1 16 . 1 1 48 48 VAL C C 48 177.380 177.380 177.819 -0.439 17849 10648 1 16 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.424 1.835 17849 10649 1 16 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.003 0.357 17849 10650 1 16 . 1 1 48 48 VAL H H 48 8.174 8.174 8.421 -0.247 17849 10651 1 16 . 1 1 49 49 ASN N N 49 118.475 118.475 117.670 0.805 17849 10652 1 16 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.331 0.074 17849 10653 1 16 . 1 1 49 49 ASN C C 49 177.352 177.352 175.929 1.423 17849 10654 1 16 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.607 0.103 17849 10655 1 16 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.112 0.158 17849 10656 1 16 . 1 1 49 49 ASN H H 49 8.208 8.208 8.566 -0.358 17849 10657 1 16 . 1 1 50 50 ASP N N 50 120.147 120.147 119.370 0.777 17849 10658 1 16 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.518 -0.036 17849 10659 1 16 . 1 1 50 50 ASP C C 50 178.973 178.973 178.840 0.133 17849 10660 1 16 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.564 0.876 17849 10661 1 16 . 1 1 50 50 ASP CB C 50 40.180 40.180 41.299 -1.119 17849 10662 1 16 . 1 1 50 50 ASP H H 50 8.400 8.400 7.656 0.744 17849 10663 1 16 . 1 1 51 51 LEU N N 51 121.706 121.706 120.277 1.429 17849 10664 1 16 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.140 -0.032 17849 10665 1 16 . 1 1 51 51 LEU C C 51 178.796 178.796 178.890 -0.094 17849 10666 1 16 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.090 1.042 17849 10667 1 16 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.814 0.076 17849 10668 1 16 . 1 1 51 51 LEU H H 51 7.830 7.830 7.501 0.329 17849 10669 1 16 . 1 1 52 52 MET N N 52 117.267 117.267 115.481 1.786 17849 10670 1 16 . 1 1 52 52 MET HA H 52 4.145 4.145 4.436 -0.291 17849 10671 1 16 . 1 1 52 52 MET C C 52 178.260 178.260 177.562 0.698 17849 10672 1 16 . 1 1 52 52 MET CA C 52 57.418 57.418 56.335 1.083 17849 10673 1 16 . 1 1 52 52 MET CB C 52 30.089 30.089 31.634 -1.544 17849 10674 1 16 . 1 1 52 52 MET H H 52 8.601 8.601 8.593 0.008 17849 10675 1 16 . 1 1 53 53 ASN N N 53 115.368 115.368 118.391 -3.023 17849 10676 1 16 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.519 0.054 17849 10677 1 16 . 1 1 53 53 ASN C C 53 176.890 176.890 176.245 0.645 17849 10678 1 16 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.259 -0.927 17849 10679 1 16 . 1 1 53 53 ASN CB C 53 38.154 38.154 39.055 -0.901 17849 10680 1 16 . 1 1 53 53 ASN H H 53 8.239 8.239 7.874 0.365 17849 10681 1 16 . 1 1 54 54 GLU N N 54 117.437 117.437 117.022 0.415 17849 10682 1 16 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.214 0.036 17849 10683 1 16 . 1 1 54 54 GLU C C 54 177.019 177.019 177.799 -0.780 17849 10684 1 16 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.419 -0.732 17849 10685 1 16 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.712 0.381 17849 10686 1 16 . 1 1 54 54 GLU H H 54 7.625 7.625 7.583 0.042 17849 10687 1 16 . 1 1 55 55 ILE N N 55 117.098 117.098 118.067 -0.969 17849 10688 1 16 . 1 1 55 55 ILE HA H 55 3.901 3.901 4.007 -0.106 17849 10689 1 16 . 1 1 55 55 ILE C C 55 176.027 176.027 175.696 0.331 17849 10690 1 16 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.637 -0.000 17849 10691 1 16 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.433 1.603 17849 10692 1 16 . 1 1 55 55 ILE H H 55 7.496 7.496 7.352 0.144 17849 10693 1 16 . 1 1 56 56 ASP N N 56 118.367 118.367 121.282 -2.915 17849 10694 1 16 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.627 -0.210 17849 10695 1 16 . 1 1 56 56 ASP C C 56 175.761 175.761 176.097 -0.336 17849 10696 1 16 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.469 -0.062 17849 10697 1 16 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.136 0.097 17849 10698 1 16 . 1 1 56 56 ASP H H 56 8.329 8.329 7.883 0.446 17849 10699 1 16 . 1 1 57 57 VAL N N 57 126.262 126.262 123.727 2.535 17849 10700 1 16 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.035 -0.029 17849 10701 1 16 . 1 1 57 57 VAL C C 57 177.253 177.253 176.416 0.837 17849 10702 1 16 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.458 0.767 17849 10703 1 16 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.240 0.946 17849 10704 1 16 . 1 1 57 57 VAL H H 57 8.116 8.116 8.540 -0.424 17849 10705 1 16 . 1 1 58 58 ASP N N 58 116.896 116.896 118.805 -1.909 17849 10706 1 16 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.618 -0.046 17849 10707 1 16 . 1 1 58 58 ASP C C 58 177.670 177.670 176.850 0.820 17849 10708 1 16 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.886 -0.081 17849 10709 1 16 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.447 -1.454 17849 10710 1 16 . 1 1 58 58 ASP H H 58 8.356 8.356 8.053 0.303 17849 10711 1 16 . 1 1 59 59 GLY N N 59 107.989 107.989 108.719 -0.730 17849 10712 1 16 . 1 1 59 59 GLY C C 59 174.661 174.661 174.816 -0.155 17849 10713 1 16 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.410 1.669 17849 10714 1 16 . 1 1 59 59 GLY H H 59 7.622 7.622 8.161 -0.539 17849 10715 1 16 . 1 1 60 60 ASN N N 60 118.703 118.703 117.892 0.811 17849 10716 1 16 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.371 0.171 17849 10717 1 16 . 1 1 60 60 ASN C C 60 175.787 175.787 174.843 0.944 17849 10718 1 16 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.080 0.203 17849 10719 1 16 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.228 -2.045 17849 10720 1 16 . 1 1 60 60 ASN H H 60 8.096 8.096 8.588 -0.492 17849 10721 1 16 . 1 1 61 61 HIS N N 61 117.475 117.475 113.046 4.429 17849 10722 1 16 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.309 -0.441 17849 10723 1 16 . 1 1 61 61 HIS C C 61 172.407 172.407 173.261 -0.854 17849 10724 1 16 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.642 -0.214 17849 10725 1 16 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.299 0.674 17849 10726 1 16 . 1 1 61 61 HIS H H 61 9.998 9.998 8.814 1.184 17849 10727 1 16 . 1 1 62 62 GLN N N 62 112.629 112.629 116.263 -3.634 17849 10728 1 16 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.414 -0.605 17849 10729 1 16 . 1 1 62 62 GLN C C 62 174.654 174.654 174.728 -0.074 17849 10730 1 16 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.432 -0.624 17849 10731 1 16 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.564 -0.439 17849 10732 1 16 . 1 1 62 62 GLN H H 62 7.541 7.541 8.560 -1.019 17849 10733 1 16 . 1 1 63 63 ILE N N 63 123.800 123.800 125.453 -1.653 17849 10734 1 16 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.600 0.446 17849 10735 1 16 . 1 1 63 63 ILE C C 63 176.626 176.626 176.016 0.610 17849 10736 1 16 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.443 1.450 17849 10737 1 16 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.509 1.671 17849 10738 1 16 . 1 1 63 63 ILE H H 63 9.312 9.312 8.655 0.657 17849 10739 1 16 . 1 1 64 64 GLU N N 64 128.941 128.941 126.825 2.116 17849 10740 1 16 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.542 0.434 17849 10741 1 16 . 1 1 64 64 GLU C C 64 178.001 178.001 177.464 0.537 17849 10742 1 16 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.556 2.164 17849 10743 1 16 . 1 1 64 64 GLU CB C 64 31.228 31.228 31.938 -0.710 17849 10744 1 16 . 1 1 64 64 GLU H H 64 8.846 8.846 8.018 0.828 17849 10745 1 16 . 1 1 65 65 PHE N N 65 124.119 124.119 120.441 3.678 17849 10746 1 16 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.187 -0.661 17849 10747 1 16 . 1 1 65 65 PHE C C 65 176.981 176.981 177.185 -0.204 17849 10748 1 16 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.690 0.574 17849 10749 1 16 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.130 -1.306 17849 10750 1 16 . 1 1 65 65 PHE H H 65 9.488 9.488 8.918 0.570 17849 10751 1 16 . 1 1 66 66 SER N N 66 112.445 112.445 115.624 -3.179 17849 10752 1 16 . 1 1 66 66 SER HA H 66 3.667 3.667 4.221 -0.554 17849 10753 1 16 . 1 1 66 66 SER C C 66 177.385 177.385 176.325 1.060 17849 10754 1 16 . 1 1 66 66 SER CA C 66 61.503 61.503 61.456 0.047 17849 10755 1 16 . 1 1 66 66 SER CB C 66 61.285 61.285 62.660 -1.375 17849 10756 1 16 . 1 1 66 66 SER H H 66 8.972 8.972 8.515 0.457 17849 10757 1 16 . 1 1 67 67 GLU N N 67 122.775 122.775 123.124 -0.349 17849 10758 1 16 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.050 0.070 17849 10759 1 16 . 1 1 67 67 GLU C C 67 178.567 178.567 178.624 -0.057 17849 10760 1 16 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.267 -1.425 17849 10761 1 16 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.514 -0.265 17849 10762 1 16 . 1 1 67 67 GLU H H 67 6.799 6.799 8.326 -1.527 17849 10763 1 16 . 1 1 68 68 PHE N N 68 123.231 123.231 118.960 4.271 17849 10764 1 16 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.122 -0.291 17849 10765 1 16 . 1 1 68 68 PHE C C 68 175.936 175.936 176.919 -0.983 17849 10766 1 16 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.308 -0.192 17849 10767 1 16 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.178 1.037 17849 10768 1 16 . 1 1 68 68 PHE H H 68 8.176 8.176 8.402 -0.226 17849 10769 1 16 . 1 1 69 69 LEU N N 69 118.554 118.554 117.172 1.382 17849 10770 1 16 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.804 -0.638 17849 10771 1 16 . 1 1 69 69 LEU C C 69 179.074 179.074 178.387 0.687 17849 10772 1 16 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.646 0.486 17849 10773 1 16 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.754 -0.488 17849 10774 1 16 . 1 1 69 69 LEU H H 69 8.626 8.626 7.416 1.210 17849 10775 1 16 . 1 1 70 70 ALA N N 70 120.878 120.878 122.915 -2.037 17849 10776 1 16 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.849 0.036 17849 10777 1 16 . 1 1 70 70 ALA C C 70 179.914 179.914 179.360 0.554 17849 10778 1 16 . 1 1 70 70 ALA CA C 70 54.970 54.970 55.085 -0.115 17849 10779 1 16 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.086 -0.309 17849 10780 1 16 . 1 1 70 70 ALA H H 70 7.322 7.322 8.441 -1.119 17849 10781 1 16 . 1 1 71 71 LEU N N 71 118.871 118.871 116.336 2.535 17849 10782 1 16 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.724 0.204 17849 10783 1 16 . 1 1 71 71 LEU C C 71 178.009 178.009 177.750 0.259 17849 10784 1 16 . 1 1 71 71 LEU CA C 71 57.744 57.744 56.997 0.747 17849 10785 1 16 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.325 0.087 17849 10786 1 16 . 1 1 71 71 LEU H H 71 7.219 7.219 7.589 -0.370 17849 10787 1 16 . 1 1 72 72 MET N N 72 113.480 113.480 111.475 2.005 17849 10788 1 16 . 1 1 72 72 MET HA H 72 4.165 4.165 4.581 -0.416 17849 10789 1 16 . 1 1 72 72 MET CA C 72 55.413 55.413 55.802 -0.389 17849 10790 1 16 . 1 1 72 72 MET CB C 72 31.199 31.199 33.876 -2.677 17849 10791 1 16 . 1 1 72 72 MET H H 72 7.486 7.486 7.776 -0.290 17849 10792 1 16 . 1 1 73 73 SER HA H 73 4.337 4.337 4.617 -0.280 17849 10793 1 16 . 1 1 73 73 SER C C 73 174.241 174.241 175.262 -1.021 17849 10794 1 16 . 1 1 73 73 SER CA C 73 59.132 59.132 59.280 -0.148 17849 10795 1 16 . 1 1 73 73 SER CB C 73 63.649 63.649 64.286 -0.637 17849 10796 1 16 . 1 1 73 73 SER H H 73 7.699 7.699 7.757 -0.058 17849 10797 1 16 . 1 1 74 74 ARG N N 74 121.213 121.213 121.069 0.144 17849 10798 1 16 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.239 -0.028 17849 10799 1 16 . 1 1 74 74 ARG C C 74 175.638 175.638 175.602 0.036 17849 10800 1 16 . 1 1 74 74 ARG CA C 74 56.850 56.850 56.559 0.291 17849 10801 1 16 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.038 0.635 17849 10802 1 16 . 1 1 74 74 ARG H H 74 7.400 7.400 7.905 -0.505 17849 10803 1 16 . 1 1 75 75 GLN N N 75 118.914 118.914 117.427 1.487 17849 10804 1 16 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.772 0.543 17849 10805 1 16 . 1 1 75 75 GLN H H 75 8.090 8.090 7.556 0.534 17849 10806 1 16 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.285 0.102 17849 10807 1 16 . 1 1 77 77 LYS C C 77 176.410 176.410 174.885 1.525 17849 10808 1 16 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.386 0.656 17849 10809 1 16 . 1 1 77 77 LYS CB C 77 33.157 33.157 33.589 -0.432 17849 10810 1 16 . 1 1 78 78 SER N N 78 116.257 116.257 115.693 0.564 17849 10811 1 16 . 1 1 78 78 SER HA H 78 4.422 4.422 4.119 0.303 17849 10812 1 16 . 1 1 78 78 SER C C 78 174.436 174.436 173.060 1.376 17849 10813 1 16 . 1 1 78 78 SER CA C 78 58.366 58.366 59.314 -0.948 17849 10814 1 16 . 1 1 78 78 SER CB C 78 63.855 63.855 62.492 1.363 17849 10815 1 16 . 1 1 78 78 SER H H 78 8.332 8.332 8.673 -0.341 17849 10816 1 16 . 1 1 79 79 ASN N N 79 120.267 120.267 116.766 3.501 17849 10817 1 16 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.725 0.002 17849 10818 1 16 . 1 1 79 79 ASN C C 79 174.966 174.966 172.954 2.012 17849 10819 1 16 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.434 0.033 17849 10820 1 16 . 1 1 79 79 ASN CB C 79 38.869 38.869 39.777 -0.908 17849 10821 1 16 . 1 1 79 79 ASN H H 79 8.548 8.548 7.770 0.778 17849 10822 1 16 . 1 1 80 80 ASP N N 80 119.659 119.659 123.800 -4.141 17849 10823 1 16 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.859 -0.242 17849 10824 1 16 . 1 1 80 80 ASP C C 80 176.412 176.412 175.940 0.472 17849 10825 1 16 . 1 1 80 80 ASP CA C 80 54.710 54.710 53.046 1.664 17849 10826 1 16 . 1 1 80 80 ASP CB C 80 41.223 41.223 41.721 -0.498 17849 10827 1 16 . 1 1 80 80 ASP H H 80 8.325 8.325 8.719 -0.394 17849 10828 1 16 . 1 1 81 81 SER N N 81 115.425 115.425 115.920 -0.495 17849 10829 1 16 . 1 1 81 81 SER HA H 81 4.414 4.414 4.322 0.092 17849 10830 1 16 . 1 1 81 81 SER C C 81 174.733 174.733 174.960 -0.227 17849 10831 1 16 . 1 1 81 81 SER CA C 81 59.183 59.183 60.285 -1.103 17849 10832 1 16 . 1 1 81 81 SER CB C 81 63.784 63.784 64.172 -0.388 17849 10833 1 16 . 1 1 81 81 SER H H 81 8.256 8.256 8.126 0.130 17849 10834 1 16 . 1 1 82 82 GLU N N 82 121.456 121.456 122.360 -0.904 17849 10835 1 16 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.428 -0.105 17849 10836 1 16 . 1 1 82 82 GLU C C 82 176.385 176.385 175.721 0.664 17849 10837 1 16 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.031 0.697 17849 10838 1 16 . 1 1 82 82 GLU CB C 82 29.872 29.872 30.076 -0.204 17849 10839 1 16 . 1 1 82 82 GLU H H 82 8.375 8.375 7.989 0.386 17849 10840 1 16 . 1 1 83 83 GLN N N 83 120.069 120.069 123.661 -3.592 17849 10841 1 16 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.487 -0.182 17849 10842 1 16 . 1 1 83 83 GLN C C 83 176.054 176.054 175.686 0.368 17849 10843 1 16 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.724 0.423 17849 10844 1 16 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.376 -0.073 17849 10845 1 16 . 1 1 83 83 GLN H H 83 8.233 8.233 8.660 -0.427 17849 10846 1 16 . 1 1 84 84 GLU N N 84 122.390 122.390 117.927 4.463 17849 10847 1 16 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.275 0.016 17849 10848 1 16 . 1 1 84 84 GLU C C 84 177.528 177.528 177.078 0.450 17849 10849 1 16 . 1 1 84 84 GLU CA C 84 57.198 57.198 57.535 -0.337 17849 10850 1 16 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.444 0.669 17849 10851 1 16 . 1 1 84 84 GLU H H 84 8.567 8.567 8.095 0.472 17849 10852 1 16 . 1 1 85 85 LEU N N 85 122.788 122.788 120.480 2.308 17849 10853 1 16 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.176 0.019 17849 10854 1 16 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.178 -0.661 17849 10855 1 16 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.249 1.167 17849 10856 1 16 . 1 1 85 85 LEU H H 85 8.434 8.434 8.021 0.413 17849 10857 1 16 . 1 1 86 86 LEU N N 86 119.558 119.558 114.900 4.658 17849 10858 1 16 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.930 0.227 17849 10859 1 16 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.008 -1.889 17849 10860 1 16 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.015 0.543 17849 10861 1 16 . 1 1 86 86 LEU H H 86 8.037 8.037 8.182 -0.145 17849 10862 1 16 . 1 1 87 87 GLU N N 87 121.323 121.323 118.872 2.451 17849 10863 1 16 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.144 -0.221 17849 10864 1 16 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.510 1.037 17849 10865 1 16 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.312 0.031 17849 10866 1 16 . 1 1 87 87 GLU H H 87 8.192 8.192 8.113 0.079 17849 10867 1 16 . 1 1 88 88 ALA N N 88 119.942 119.942 122.287 -2.345 17849 10868 1 16 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.180 -0.104 17849 10869 1 16 . 1 1 88 88 ALA C C 88 178.281 178.281 178.043 0.238 17849 10870 1 16 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.033 0.448 17849 10871 1 16 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.862 -0.052 17849 10872 1 16 . 1 1 88 88 ALA H H 88 8.363 8.363 7.551 0.812 17849 10873 1 16 . 1 1 89 89 PHE N N 89 111.807 111.807 116.791 -4.984 17849 10874 1 16 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.454 0.035 17849 10875 1 16 . 1 1 89 89 PHE C C 89 176.632 176.632 175.578 1.054 17849 10876 1 16 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.705 1.774 17849 10877 1 16 . 1 1 89 89 PHE CB C 89 38.642 38.642 40.325 -1.683 17849 10878 1 16 . 1 1 89 89 PHE H H 89 7.855 7.855 8.175 -0.320 17849 10879 1 16 . 1 1 90 90 LYS N N 90 120.375 120.375 122.012 -1.637 17849 10880 1 16 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.167 -0.169 17849 10881 1 16 . 1 1 90 90 LYS C C 90 178.490 178.490 176.377 2.113 17849 10882 1 16 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.658 2.336 17849 10883 1 16 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.002 -0.088 17849 10884 1 16 . 1 1 90 90 LYS H H 90 7.957 7.957 7.787 0.170 17849 10885 1 16 . 1 1 91 91 VAL N N 91 116.643 116.643 118.496 -1.853 17849 10886 1 16 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.709 0.165 17849 10887 1 16 . 1 1 91 91 VAL C C 91 175.413 175.413 177.008 -1.595 17849 10888 1 16 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.044 -1.351 17849 10889 1 16 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.682 -0.448 17849 10890 1 16 . 1 1 91 91 VAL H H 91 7.389 7.389 7.934 -0.545 17849 10891 1 16 . 1 1 92 92 PHE N N 92 115.769 115.769 115.256 0.513 17849 10892 1 16 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.479 0.041 17849 10893 1 16 . 1 1 92 92 PHE CA C 92 59.175 59.175 57.197 1.978 17849 10894 1 16 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.968 1.266 17849 10895 1 16 . 1 1 92 92 PHE H H 92 7.534 7.534 7.218 0.316 17849 10896 1 16 . 1 1 93 93 ASP N N 93 115.397 115.397 119.339 -3.942 17849 10897 1 16 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.688 0.170 17849 10898 1 16 . 1 1 93 93 ASP C C 93 177.421 177.421 177.581 -0.160 17849 10899 1 16 . 1 1 93 93 ASP CA C 93 52.466 52.466 54.781 -2.315 17849 10900 1 16 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.148 -1.168 17849 10901 1 16 . 1 1 93 93 ASP H H 93 7.543 7.543 8.458 -0.915 17849 10902 1 16 . 1 1 94 94 LYS N N 94 125.591 125.591 123.585 2.006 17849 10903 1 16 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.243 -0.164 17849 10904 1 16 . 1 1 94 94 LYS C C 94 177.856 177.856 177.598 0.258 17849 10905 1 16 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.255 0.674 17849 10906 1 16 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.546 -0.152 17849 10907 1 16 . 1 1 94 94 LYS H H 94 7.873 7.873 8.194 -0.321 17849 10908 1 16 . 1 1 95 95 ASN N N 95 112.796 112.796 115.800 -3.004 17849 10909 1 16 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.723 0.074 17849 10910 1 16 . 1 1 95 95 ASN C C 95 176.619 176.619 175.678 0.941 17849 10911 1 16 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.551 -0.641 17849 10912 1 16 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.807 -0.531 17849 10913 1 16 . 1 1 95 95 ASN H H 95 8.272 8.272 7.827 0.445 17849 10914 1 16 . 1 1 96 96 GLY N N 96 109.132 109.132 108.753 0.379 17849 10915 1 16 . 1 1 96 96 GLY C C 96 174.799 174.799 173.916 0.883 17849 10916 1 16 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.500 1.071 17849 10917 1 16 . 1 1 96 96 GLY H H 96 7.654 7.654 7.658 -0.004 17849 10918 1 16 . 1 1 97 97 ASP N N 97 118.796 118.796 120.009 -1.213 17849 10919 1 16 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.588 -0.058 17849 10920 1 16 . 1 1 97 97 ASP C C 97 177.137 177.137 177.292 -0.155 17849 10921 1 16 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.748 -0.356 17849 10922 1 16 . 1 1 97 97 ASP CB C 97 40.389 40.389 42.531 -2.142 17849 10923 1 16 . 1 1 97 97 ASP H H 97 8.090 8.090 8.414 -0.324 17849 10924 1 16 . 1 1 98 98 GLY N N 98 112.962 112.962 106.940 6.022 17849 10925 1 16 . 1 1 98 98 GLY C C 98 172.142 172.142 173.658 -1.516 17849 10926 1 16 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.568 0.156 17849 10927 1 16 . 1 1 98 98 GLY H H 98 10.329 10.329 8.035 2.294 17849 10928 1 16 . 1 1 99 99 LEU N N 99 119.691 119.691 122.574 -2.883 17849 10929 1 16 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.718 0.044 17849 10930 1 16 . 1 1 99 99 LEU C C 99 176.162 176.162 174.732 1.430 17849 10931 1 16 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.864 -1.040 17849 10932 1 16 . 1 1 99 99 LEU CB C 99 44.782 44.782 44.754 0.028 17849 10933 1 16 . 1 1 99 99 LEU H H 99 8.000 8.000 7.912 0.088 17849 10934 1 16 . 1 1 100 100 ILE N N 100 127.464 127.464 117.389 10.075 17849 10935 1 16 . 1 1 100 100 ILE HA H 100 4.674 4.674 5.011 -0.337 17849 10936 1 16 . 1 1 100 100 ILE C C 100 175.006 175.006 174.371 0.635 17849 10937 1 16 . 1 1 100 100 ILE CA C 100 60.420 60.420 58.420 2.000 17849 10938 1 16 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.858 -3.047 17849 10939 1 16 . 1 1 100 100 ILE H H 100 9.491 9.491 8.096 1.395 17849 10940 1 16 . 1 1 101 101 SER N N 101 123.104 123.104 117.138 5.966 17849 10941 1 16 . 1 1 101 101 SER HA H 101 4.770 4.770 4.900 -0.130 17849 10942 1 16 . 1 1 101 101 SER C C 101 174.847 174.847 175.328 -0.481 17849 10943 1 16 . 1 1 101 101 SER CA C 101 55.854 55.854 56.590 -0.736 17849 10944 1 16 . 1 1 101 101 SER CB C 101 65.994 65.994 65.463 0.531 17849 10945 1 16 . 1 1 101 101 SER H H 101 9.058 9.058 8.095 0.963 17849 10946 1 16 . 1 1 102 102 ALA N N 102 124.316 124.316 123.683 0.633 17849 10947 1 16 . 1 1 102 102 ALA HA H 102 3.616 3.616 3.691 -0.075 17849 10948 1 16 . 1 1 102 102 ALA C C 102 179.388 179.388 179.040 0.348 17849 10949 1 16 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.947 0.777 17849 10950 1 16 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.205 0.110 17849 10951 1 16 . 1 1 102 102 ALA H H 102 8.587 8.587 8.771 -0.184 17849 10952 1 16 . 1 1 103 103 ALA N N 103 118.346 118.346 120.381 -2.035 17849 10953 1 16 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.759 0.241 17849 10954 1 16 . 1 1 103 103 ALA C C 103 181.188 181.188 179.023 2.165 17849 10955 1 16 . 1 1 103 103 ALA CA C 103 55.058 55.058 55.255 -0.197 17849 10956 1 16 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.808 0.581 17849 10957 1 16 . 1 1 103 103 ALA H H 103 8.266 8.266 8.307 -0.041 17849 10958 1 16 . 1 1 104 104 GLU N N 104 120.568 120.568 117.069 3.499 17849 10959 1 16 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.000 0.056 17849 10960 1 16 . 1 1 104 104 GLU C C 104 178.762 178.762 177.395 1.367 17849 10961 1 16 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.901 1.067 17849 10962 1 16 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.536 -0.625 17849 10963 1 16 . 1 1 104 104 GLU H H 104 7.928 7.928 8.201 -0.273 17849 10964 1 16 . 1 1 105 105 LEU N N 105 117.903 117.903 117.564 0.339 17849 10965 1 16 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.937 0.092 17849 10966 1 16 . 1 1 105 105 LEU C C 105 178.497 178.497 178.980 -0.483 17849 10967 1 16 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.200 2.253 17849 10968 1 16 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.482 0.710 17849 10969 1 16 . 1 1 105 105 LEU H H 105 7.926 7.926 7.775 0.151 17849 10970 1 16 . 1 1 106 106 LYS N N 106 115.836 115.836 119.521 -3.685 17849 10971 1 16 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.066 -0.267 17849 10972 1 16 . 1 1 106 106 LYS C C 106 179.102 179.102 178.491 0.611 17849 10973 1 16 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.075 1.097 17849 10974 1 16 . 1 1 106 106 LYS CB C 106 32.610 32.610 31.804 0.806 17849 10975 1 16 . 1 1 106 106 LYS H H 106 8.337 8.337 8.384 -0.047 17849 10976 1 16 . 1 1 107 107 HIS N N 107 119.620 119.620 118.314 1.306 17849 10977 1 16 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.569 -0.315 17849 10978 1 16 . 1 1 107 107 HIS C C 107 178.167 178.167 177.000 1.167 17849 10979 1 16 . 1 1 107 107 HIS CA C 107 59.928 59.928 57.917 2.010 17849 10980 1 16 . 1 1 107 107 HIS CB C 107 30.584 30.584 31.170 -0.586 17849 10981 1 16 . 1 1 107 107 HIS H H 107 8.502 8.502 8.342 0.160 17849 10982 1 16 . 1 1 108 108 VAL N N 108 118.595 118.595 121.572 -2.977 17849 10983 1 16 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.684 -0.028 17849 10984 1 16 . 1 1 108 108 VAL C C 108 178.608 178.608 177.094 1.514 17849 10985 1 16 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.837 0.519 17849 10986 1 16 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.584 0.731 17849 10987 1 16 . 1 1 108 108 VAL H H 108 8.348 8.348 7.900 0.448 17849 10988 1 16 . 1 1 109 109 LEU N N 109 116.755 116.755 116.337 0.418 17849 10989 1 16 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.977 0.167 17849 10990 1 16 . 1 1 109 109 LEU C C 109 179.267 179.267 177.554 1.713 17849 10991 1 16 . 1 1 109 109 LEU CA C 109 57.454 57.454 56.745 0.709 17849 10992 1 16 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.562 0.541 17849 10993 1 16 . 1 1 109 109 LEU H H 109 8.251 8.251 7.407 0.844 17849 10994 1 16 . 1 1 110 110 THR N N 110 111.046 111.046 111.611 -0.565 17849 10995 1 16 . 1 1 110 110 THR HA H 110 4.256 4.256 4.288 -0.032 17849 10996 1 16 . 1 1 110 110 THR C C 110 175.897 175.897 174.639 1.258 17849 10997 1 16 . 1 1 110 110 THR CA C 110 64.465 64.465 62.511 1.954 17849 10998 1 16 . 1 1 110 110 THR CB C 110 69.431 69.431 69.064 0.367 17849 10999 1 16 . 1 1 110 110 THR H H 110 8.085 8.085 7.728 0.357 17849 11000 1 16 . 1 1 111 111 SER N N 111 117.074 117.074 118.124 -1.050 17849 11001 1 16 . 1 1 111 111 SER HA H 111 4.406 4.406 4.202 0.204 17849 11002 1 16 . 1 1 111 111 SER C C 111 175.051 175.051 175.530 -0.479 17849 11003 1 16 . 1 1 111 111 SER CA C 111 59.968 59.968 60.660 -0.692 17849 11004 1 16 . 1 1 111 111 SER CB C 111 63.391 63.391 64.122 -0.731 17849 11005 1 16 . 1 1 111 111 SER H H 111 7.681 7.681 7.719 -0.038 17849 11006 1 16 . 1 1 112 112 ILE N N 112 119.783 119.783 117.823 1.960 17849 11007 1 16 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.744 0.347 17849 11008 1 16 . 1 1 112 112 ILE C C 112 177.040 177.040 175.991 1.049 17849 11009 1 16 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.578 0.946 17849 11010 1 16 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.522 2.822 17849 11011 1 16 . 1 1 112 112 ILE H H 112 7.444 7.444 7.568 -0.124 17849 11012 1 16 . 1 1 113 113 GLY N N 113 110.432 110.432 108.735 1.697 17849 11013 1 16 . 1 1 113 113 GLY C C 113 174.442 174.442 175.163 -0.721 17849 11014 1 16 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.798 0.845 17849 11015 1 16 . 1 1 113 113 GLY H H 113 8.148 8.148 8.266 -0.118 17849 11016 1 16 . 1 1 114 114 GLU N N 114 120.374 120.374 122.420 -2.046 17849 11017 1 16 . 1 1 114 114 GLU HA H 114 4.266 4.266 3.969 0.297 17849 11018 1 16 . 1 1 114 114 GLU C C 114 176.556 176.556 177.239 -0.683 17849 11019 1 16 . 1 1 114 114 GLU CA C 114 56.773 56.773 58.347 -1.574 17849 11020 1 16 . 1 1 114 114 GLU CB C 114 30.290 30.290 29.181 1.109 17849 11021 1 16 . 1 1 114 114 GLU H H 114 8.092 8.092 8.173 -0.081 17849 11022 1 16 . 1 1 115 115 LYS N N 115 121.383 121.383 120.821 0.562 17849 11023 1 16 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.123 0.212 17849 11024 1 16 . 1 1 115 115 LYS C C 115 176.654 176.654 174.967 1.687 17849 11025 1 16 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.892 -0.593 17849 11026 1 16 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.831 0.008 17849 11027 1 16 . 1 1 115 115 LYS H H 115 8.221 8.221 8.124 0.097 17849 11028 1 16 . 1 1 116 116 LEU N N 116 123.146 123.146 119.597 3.549 17849 11029 1 16 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.717 -0.296 17849 11030 1 16 . 1 1 116 116 LEU C C 116 177.677 177.677 174.541 3.136 17849 11031 1 16 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.955 0.365 17849 11032 1 16 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.787 -1.478 17849 11033 1 16 . 1 1 116 116 LEU H H 116 8.265 8.265 8.147 0.118 17849 11034 1 16 . 1 1 117 117 THR N N 117 113.859 113.859 112.045 1.814 17849 11035 1 16 . 1 1 117 117 THR HA H 117 4.337 4.337 4.516 -0.179 17849 11036 1 16 . 1 1 117 117 THR C C 117 174.535 174.535 173.776 0.759 17849 11037 1 16 . 1 1 117 117 THR CA C 117 61.824 61.824 60.227 1.597 17849 11038 1 16 . 1 1 117 117 THR CB C 117 70.096 70.096 71.510 -1.414 17849 11039 1 16 . 1 1 117 117 THR H H 117 8.182 8.182 7.834 0.348 17849 11040 1 16 . 1 1 118 118 ASP N N 118 122.049 122.049 118.829 3.220 17849 11041 1 16 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.775 -0.242 17849 11042 1 16 . 1 1 118 118 ASP C C 118 176.728 176.728 177.449 -0.721 17849 11043 1 16 . 1 1 118 118 ASP CA C 118 55.218 55.218 56.015 -0.797 17849 11044 1 16 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.014 -0.161 17849 11045 1 16 . 1 1 118 118 ASP H H 118 8.367 8.367 8.462 -0.095 17849 11046 1 16 . 1 1 119 119 ALA N N 119 123.432 123.432 119.627 3.805 17849 11047 1 16 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.313 -0.094 17849 11048 1 16 . 1 1 119 119 ALA C C 119 178.486 178.486 177.705 0.781 17849 11049 1 16 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.504 0.929 17849 11050 1 16 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.377 0.698 17849 11051 1 16 . 1 1 119 119 ALA H H 119 8.206 8.206 7.710 0.496 17849 11052 1 16 . 1 1 120 120 GLU N N 120 118.592 118.592 117.008 1.584 17849 11053 1 16 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.178 0.004 17849 11054 1 16 . 1 1 120 120 GLU C C 120 177.133 177.133 177.260 -0.127 17849 11055 1 16 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.573 -1.468 17849 11056 1 16 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.703 0.350 17849 11057 1 16 . 1 1 120 120 GLU H H 120 8.187 8.187 8.447 -0.260 17849 11058 1 16 . 1 1 121 121 LEU N N 121 121.427 121.427 112.994 8.433 17849 11059 1 16 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.472 -0.268 17849 11060 1 16 . 1 1 121 121 LEU C C 121 177.710 177.710 176.598 1.112 17849 11061 1 16 . 1 1 121 121 LEU CA C 121 55.752 55.752 54.580 1.172 17849 11062 1 16 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.191 -0.933 17849 11063 1 16 . 1 1 121 121 LEU H H 121 8.020 8.020 7.097 0.923 17849 11064 1 16 . 1 1 122 122 GLU N N 122 119.850 119.850 119.910 -0.060 17849 11065 1 16 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.993 0.134 17849 11066 1 16 . 1 1 122 122 GLU C C 122 176.518 176.518 175.501 1.017 17849 11067 1 16 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.343 -0.329 17849 11068 1 16 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.182 0.874 17849 11069 1 16 . 1 1 122 122 GLU H H 122 8.118 8.118 7.723 0.395 17849 11070 1 16 . 1 1 123 123 HIS N N 123 118.817 118.817 123.531 -4.714 17849 11071 1 16 . 1 1 123 123 HIS CA C 123 56.259 56.259 53.638 2.621 17849 11072 1 16 . 1 1 123 123 HIS H H 123 8.106 8.106 8.038 0.068 17849 11073 1 17 . 1 1 2 2 SER HA H 2 4.507 4.507 4.595 -0.088 17849 11074 1 17 . 1 1 2 2 SER CA C 2 58.342 58.342 57.647 0.695 17849 11075 1 17 . 1 1 2 2 SER CB C 2 63.883 63.883 63.173 0.710 17849 11076 1 17 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.608 0.156 17849 11077 1 17 . 1 1 3 3 ASN C C 3 174.784 174.784 175.606 -0.822 17849 11078 1 17 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.831 0.294 17849 11079 1 17 . 1 1 3 3 ASN CB C 3 38.893 38.893 38.733 0.160 17849 11080 1 17 . 1 1 4 4 LEU N N 4 121.466 121.466 122.467 -1.001 17849 11081 1 17 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.486 0.214 17849 11082 1 17 . 1 1 4 4 LEU C C 4 177.665 177.665 177.350 0.315 17849 11083 1 17 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.778 -1.266 17849 11084 1 17 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.034 1.605 17849 11085 1 17 . 1 1 4 4 LEU H H 4 8.097 8.097 8.473 -0.376 17849 11086 1 17 . 1 1 5 5 THR N N 5 112.990 112.990 114.415 -1.425 17849 11087 1 17 . 1 1 5 5 THR HA H 5 4.481 4.481 4.596 -0.115 17849 11088 1 17 . 1 1 5 5 THR C C 5 175.474 175.474 175.493 -0.019 17849 11089 1 17 . 1 1 5 5 THR CA C 5 60.528 60.528 59.694 0.834 17849 11090 1 17 . 1 1 5 5 THR CB C 5 71.244 71.244 71.434 -0.190 17849 11091 1 17 . 1 1 5 5 THR H H 5 8.778 8.778 7.706 1.072 17849 11092 1 17 . 1 1 6 6 GLU N N 6 120.343 120.343 121.830 -1.487 17849 11093 1 17 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.965 0.037 17849 11094 1 17 . 1 1 6 6 GLU C C 6 179.568 179.568 178.481 1.087 17849 11095 1 17 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.389 -0.213 17849 11096 1 17 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.213 0.012 17849 11097 1 17 . 1 1 6 6 GLU H H 6 9.078 9.078 8.979 0.099 17849 11098 1 17 . 1 1 7 7 GLU N N 7 119.544 119.544 120.020 -0.476 17849 11099 1 17 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.973 0.138 17849 11100 1 17 . 1 1 7 7 GLU C C 7 179.170 179.170 179.309 -0.139 17849 11101 1 17 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.209 0.828 17849 11102 1 17 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.086 0.031 17849 11103 1 17 . 1 1 7 7 GLU H H 7 8.820 8.820 8.162 0.658 17849 11104 1 17 . 1 1 8 8 GLN N N 8 119.824 119.824 117.847 1.977 17849 11105 1 17 . 1 1 8 8 GLN HA H 8 4.164 4.164 4.065 0.099 17849 11106 1 17 . 1 1 8 8 GLN C C 8 179.652 179.652 178.762 0.890 17849 11107 1 17 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.623 0.129 17849 11108 1 17 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.773 0.966 17849 11109 1 17 . 1 1 8 8 GLN H H 8 7.812 7.812 7.447 0.365 17849 11110 1 17 . 1 1 9 9 ILE N N 9 120.978 120.978 120.264 0.714 17849 11111 1 17 . 1 1 9 9 ILE HA H 9 3.852 3.852 4.013 -0.161 17849 11112 1 17 . 1 1 9 9 ILE C C 9 177.899 177.899 178.580 -0.681 17849 11113 1 17 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.874 0.702 17849 11114 1 17 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.616 0.373 17849 11115 1 17 . 1 1 9 9 ILE H H 9 8.634 8.634 8.745 -0.111 17849 11116 1 17 . 1 1 10 10 ALA N N 10 121.528 121.528 120.804 0.724 17849 11117 1 17 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.167 -0.061 17849 11118 1 17 . 1 1 10 10 ALA C C 10 180.886 180.886 179.472 1.414 17849 11119 1 17 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.153 0.265 17849 11120 1 17 . 1 1 10 10 ALA CB C 10 17.775 17.775 18.042 -0.267 17849 11121 1 17 . 1 1 10 10 ALA H H 10 8.142 8.142 8.449 -0.307 17849 11122 1 17 . 1 1 11 11 GLU N N 11 118.807 118.807 120.207 -1.400 17849 11123 1 17 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.056 0.158 17849 11124 1 17 . 1 1 11 11 GLU C C 11 180.292 180.292 179.111 1.181 17849 11125 1 17 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.237 0.127 17849 11126 1 17 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.505 0.283 17849 11127 1 17 . 1 1 11 11 GLU H H 11 7.810 7.810 8.088 -0.278 17849 11128 1 17 . 1 1 12 12 PHE N N 12 118.671 118.671 119.661 -0.990 17849 11129 1 17 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.463 0.184 17849 11130 1 17 . 1 1 12 12 PHE C C 12 179.032 179.032 178.093 0.939 17849 11131 1 17 . 1 1 12 12 PHE CA C 12 63.160 63.160 61.482 1.678 17849 11132 1 17 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.528 0.487 17849 11133 1 17 . 1 1 12 12 PHE H H 12 8.432 8.432 8.779 -0.347 17849 11134 1 17 . 1 1 13 13 LYS N N 13 123.536 123.536 118.934 4.602 17849 11135 1 17 . 1 1 13 13 LYS HA H 13 3.840 3.840 3.833 0.007 17849 11136 1 17 . 1 1 13 13 LYS C C 13 179.114 179.114 179.289 -0.175 17849 11137 1 17 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.106 -0.018 17849 11138 1 17 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.091 -0.439 17849 11139 1 17 . 1 1 13 13 LYS H H 13 8.981 8.981 8.277 0.704 17849 11140 1 17 . 1 1 14 14 GLU N N 14 119.691 119.691 118.863 0.828 17849 11141 1 17 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.304 -0.207 17849 11142 1 17 . 1 1 14 14 GLU C C 14 179.285 179.285 178.718 0.567 17849 11143 1 17 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.576 0.669 17849 11144 1 17 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.870 -0.229 17849 11145 1 17 . 1 1 14 14 GLU H H 14 7.737 7.737 7.819 -0.082 17849 11146 1 17 . 1 1 15 15 ALA N N 15 120.127 120.127 123.254 -3.127 17849 11147 1 17 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.182 -0.015 17849 11148 1 17 . 1 1 15 15 ALA C C 15 178.607 178.607 179.906 -1.299 17849 11149 1 17 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.145 -0.086 17849 11150 1 17 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.486 0.645 17849 11151 1 17 . 1 1 15 15 ALA H H 15 7.747 7.747 8.553 -0.806 17849 11152 1 17 . 1 1 16 16 PHE N N 16 119.058 119.058 118.396 0.662 17849 11153 1 17 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.049 -0.742 17849 11154 1 17 . 1 1 16 16 PHE C C 16 177.236 177.236 176.695 0.541 17849 11155 1 17 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.536 1.169 17849 11156 1 17 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.327 0.425 17849 11157 1 17 . 1 1 16 16 PHE H H 16 8.908 8.908 8.704 0.204 17849 11158 1 17 . 1 1 17 17 ALA N N 17 119.352 119.352 122.200 -2.848 17849 11159 1 17 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.159 -0.036 17849 11160 1 17 . 1 1 17 17 ALA C C 17 178.680 178.680 179.008 -0.328 17849 11161 1 17 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.686 -0.147 17849 11162 1 17 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.625 -0.410 17849 11163 1 17 . 1 1 17 17 ALA H H 17 7.877 7.877 7.820 0.057 17849 11164 1 17 . 1 1 18 18 LEU N N 18 115.281 115.281 118.280 -2.999 17849 11165 1 17 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.084 -0.029 17849 11166 1 17 . 1 1 18 18 LEU C C 18 178.393 178.393 178.374 0.019 17849 11167 1 17 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.606 -0.964 17849 11168 1 17 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.669 0.075 17849 11169 1 17 . 1 1 18 18 LEU H H 18 7.369 7.369 8.270 -0.901 17849 11170 1 17 . 1 1 19 19 PHE N N 19 115.719 115.719 115.547 0.172 17849 11171 1 17 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.329 -0.120 17849 11172 1 17 . 1 1 19 19 PHE C C 19 176.704 176.704 176.207 0.497 17849 11173 1 17 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.771 -0.538 17849 11174 1 17 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.958 1.712 17849 11175 1 17 . 1 1 19 19 PHE H H 19 7.468 7.468 8.066 -0.598 17849 11176 1 17 . 1 1 20 20 ASP N N 20 117.209 117.209 119.178 -1.969 17849 11177 1 17 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.472 -0.011 17849 11178 1 17 . 1 1 20 20 ASP C C 20 176.557 176.557 176.345 0.212 17849 11179 1 17 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.826 -3.581 17849 11180 1 17 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.770 -2.623 17849 11181 1 17 . 1 1 20 20 ASP H H 20 7.488 7.488 8.064 -0.576 17849 11182 1 17 . 1 1 21 21 LYS N N 21 124.086 124.086 125.885 -1.799 17849 11183 1 17 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.184 -0.186 17849 11184 1 17 . 1 1 21 21 LYS C C 21 177.844 177.844 177.636 0.208 17849 11185 1 17 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.905 0.403 17849 11186 1 17 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.918 -0.466 17849 11187 1 17 . 1 1 21 21 LYS H H 21 7.376 7.376 8.602 -1.226 17849 11188 1 17 . 1 1 22 22 ASP N N 22 114.097 114.097 115.760 -1.663 17849 11189 1 17 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.576 0.028 17849 11190 1 17 . 1 1 22 22 ASP C C 22 176.349 176.349 176.304 0.045 17849 11191 1 17 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.535 -0.832 17849 11192 1 17 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.720 -1.365 17849 11193 1 17 . 1 1 22 22 ASP H H 22 8.113 8.113 8.238 -0.125 17849 11194 1 17 . 1 1 23 23 ASN N N 23 115.562 115.562 117.205 -1.643 17849 11195 1 17 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.506 -0.111 17849 11196 1 17 . 1 1 23 23 ASN C C 23 174.864 174.864 175.006 -0.142 17849 11197 1 17 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.678 0.722 17849 11198 1 17 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.892 0.032 17849 11199 1 17 . 1 1 23 23 ASN H H 23 8.048 8.048 8.674 -0.626 17849 11200 1 17 . 1 1 24 24 ASN N N 24 117.615 117.615 117.466 0.149 17849 11201 1 17 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.704 0.131 17849 11202 1 17 . 1 1 24 24 ASN C C 24 177.445 177.445 176.255 1.190 17849 11203 1 17 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.229 -0.814 17849 11204 1 17 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.275 -0.794 17849 11205 1 17 . 1 1 24 24 ASN H H 24 8.517 8.517 9.117 -0.600 17849 11206 1 17 . 1 1 25 25 GLY N N 25 114.308 114.308 108.101 6.207 17849 11207 1 17 . 1 1 25 25 GLY C C 25 173.105 173.105 173.573 -0.468 17849 11208 1 17 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.906 0.574 17849 11209 1 17 . 1 1 25 25 GLY H H 25 10.729 10.729 9.081 1.648 17849 11210 1 17 . 1 1 26 26 SER N N 26 113.267 113.267 116.233 -2.966 17849 11211 1 17 . 1 1 26 26 SER HA H 26 5.330 5.330 5.838 -0.508 17849 11212 1 17 . 1 1 26 26 SER C C 26 172.610 172.610 173.157 -0.547 17849 11213 1 17 . 1 1 26 26 SER CA C 26 57.375 57.375 56.828 0.547 17849 11214 1 17 . 1 1 26 26 SER CB C 26 66.504 66.504 67.171 -0.667 17849 11215 1 17 . 1 1 26 26 SER H H 26 7.773 7.773 7.589 0.184 17849 11216 1 17 . 1 1 27 27 ILE N N 27 127.124 127.124 118.915 8.209 17849 11217 1 17 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.561 0.327 17849 11218 1 17 . 1 1 27 27 ILE C C 27 175.876 175.876 174.812 1.064 17849 11219 1 17 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.107 -0.071 17849 11220 1 17 . 1 1 27 27 ILE CB C 27 38.896 38.896 42.388 -3.492 17849 11221 1 17 . 1 1 27 27 ILE H H 27 9.848 9.848 8.054 1.794 17849 11222 1 17 . 1 1 28 28 SER N N 28 124.825 124.825 118.920 5.905 17849 11223 1 17 . 1 1 28 28 SER HA H 28 4.771 4.771 5.346 -0.575 17849 11224 1 17 . 1 1 28 28 SER C C 28 175.395 175.395 175.782 -0.387 17849 11225 1 17 . 1 1 28 28 SER CA C 28 56.680 56.680 55.842 0.839 17849 11226 1 17 . 1 1 28 28 SER CB C 28 66.154 66.154 66.131 0.023 17849 11227 1 17 . 1 1 28 28 SER H H 28 9.347 9.347 8.331 1.016 17849 11228 1 17 . 1 1 29 29 SER N N 29 116.882 116.882 120.156 -3.274 17849 11229 1 17 . 1 1 29 29 SER HA H 29 4.144 4.144 4.070 0.074 17849 11230 1 17 . 1 1 29 29 SER C C 29 176.516 176.516 176.401 0.115 17849 11231 1 17 . 1 1 29 29 SER CA C 29 62.634 62.634 62.151 0.483 17849 11232 1 17 . 1 1 29 29 SER CB C 29 62.227 62.227 62.738 -0.511 17849 11233 1 17 . 1 1 29 29 SER H H 29 9.604 9.604 9.072 0.532 17849 11234 1 17 . 1 1 30 30 SER N N 30 116.141 116.141 118.996 -2.855 17849 11235 1 17 . 1 1 30 30 SER HA H 30 4.327 4.327 4.043 0.284 17849 11236 1 17 . 1 1 30 30 SER C C 30 177.965 177.965 176.877 1.088 17849 11237 1 17 . 1 1 30 30 SER CA C 30 61.341 61.341 62.629 -1.288 17849 11238 1 17 . 1 1 30 30 SER CB C 30 62.429 62.429 62.886 -0.457 17849 11239 1 17 . 1 1 30 30 SER H H 30 8.184 8.184 8.258 -0.074 17849 11240 1 17 . 1 1 31 31 GLU N N 31 124.933 124.933 121.430 3.503 17849 11241 1 17 . 1 1 31 31 GLU HA H 31 4.091 4.091 3.979 0.112 17849 11242 1 17 . 1 1 31 31 GLU C C 31 179.355 179.355 179.248 0.107 17849 11243 1 17 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.972 0.470 17849 11244 1 17 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.627 -0.292 17849 11245 1 17 . 1 1 31 31 GLU H H 31 7.973 7.973 7.641 0.332 17849 11246 1 17 . 1 1 32 32 LEU N N 32 120.778 120.778 120.554 0.224 17849 11247 1 17 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.181 -0.014 17849 11248 1 17 . 1 1 32 32 LEU C C 32 178.364 178.364 178.113 0.251 17849 11249 1 17 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.715 0.632 17849 11250 1 17 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.916 0.195 17849 11251 1 17 . 1 1 32 32 LEU H H 32 8.616 8.616 8.226 0.390 17849 11252 1 17 . 1 1 33 33 ALA N N 33 120.423 120.423 120.678 -0.255 17849 11253 1 17 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.089 -0.213 17849 11254 1 17 . 1 1 33 33 ALA C C 33 179.394 179.394 179.744 -0.350 17849 11255 1 17 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.128 0.660 17849 11256 1 17 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.042 0.476 17849 11257 1 17 . 1 1 33 33 ALA H H 33 8.688 8.688 8.561 0.127 17849 11258 1 17 . 1 1 34 34 THR N N 34 114.299 114.299 114.125 0.174 17849 11259 1 17 . 1 1 34 34 THR HA H 34 3.902 3.902 4.127 -0.225 17849 11260 1 17 . 1 1 34 34 THR C C 34 177.161 177.161 175.861 1.300 17849 11261 1 17 . 1 1 34 34 THR CA C 34 67.173 67.173 66.638 0.535 17849 11262 1 17 . 1 1 34 34 THR CB C 34 68.712 68.712 68.914 -0.202 17849 11263 1 17 . 1 1 34 34 THR H H 34 8.219 8.219 7.928 0.291 17849 11264 1 17 . 1 1 35 35 VAL N N 35 122.638 122.638 120.898 1.740 17849 11265 1 17 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.793 -0.209 17849 11266 1 17 . 1 1 35 35 VAL C C 35 178.403 178.403 177.346 1.057 17849 11267 1 17 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.339 1.545 17849 11268 1 17 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.693 -0.332 17849 11269 1 17 . 1 1 35 35 VAL H H 35 7.791 7.791 7.622 0.169 17849 11270 1 17 . 1 1 36 36 MET N N 36 117.307 117.307 118.823 -1.516 17849 11271 1 17 . 1 1 36 36 MET HA H 36 3.906 3.906 4.003 -0.097 17849 11272 1 17 . 1 1 36 36 MET C C 36 178.456 178.456 178.285 0.171 17849 11273 1 17 . 1 1 36 36 MET CA C 36 59.787 59.787 58.736 1.051 17849 11274 1 17 . 1 1 36 36 MET CB C 36 32.548 32.548 31.680 0.868 17849 11275 1 17 . 1 1 36 36 MET H H 36 8.308 8.308 7.890 0.418 17849 11276 1 17 . 1 1 37 37 ARG N N 37 118.384 118.384 117.255 1.129 17849 11277 1 17 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.177 0.580 17849 11278 1 17 . 1 1 37 37 ARG C C 37 181.371 181.371 178.763 2.608 17849 11279 1 17 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.779 0.108 17849 11280 1 17 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.145 0.953 17849 11281 1 17 . 1 1 37 37 ARG H H 37 8.634 8.634 7.895 0.739 17849 11282 1 17 . 1 1 38 38 SER N N 38 118.916 118.916 113.672 5.244 17849 11283 1 17 . 1 1 38 38 SER HA H 38 4.339 4.339 4.219 0.120 17849 11284 1 17 . 1 1 38 38 SER C C 38 174.705 174.705 176.204 -1.499 17849 11285 1 17 . 1 1 38 38 SER CA C 38 61.793 61.793 60.507 1.286 17849 11286 1 17 . 1 1 38 38 SER CB C 38 62.713 62.713 63.107 -0.394 17849 11287 1 17 . 1 1 38 38 SER H H 38 8.226 8.226 7.761 0.465 17849 11288 1 17 . 1 1 39 39 LEU N N 39 119.948 119.948 120.083 -0.135 17849 11289 1 17 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.035 0.261 17849 11290 1 17 . 1 1 39 39 LEU C C 39 176.723 176.723 178.130 -1.407 17849 11291 1 17 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.262 -2.702 17849 11292 1 17 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.566 -0.577 17849 11293 1 17 . 1 1 39 39 LEU H H 39 7.331 7.331 7.804 -0.473 17849 11294 1 17 . 1 1 40 40 GLY N N 40 105.997 105.997 104.595 1.402 17849 11295 1 17 . 1 1 40 40 GLY C C 40 174.405 174.405 174.447 -0.042 17849 11296 1 17 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.058 0.130 17849 11297 1 17 . 1 1 40 40 GLY H H 40 7.889 7.889 8.169 -0.280 17849 11298 1 17 . 1 1 41 41 LEU N N 41 120.071 120.071 120.273 -0.202 17849 11299 1 17 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.867 -0.381 17849 11300 1 17 . 1 1 41 41 LEU C C 41 175.829 175.829 175.108 0.721 17849 11301 1 17 . 1 1 41 41 LEU CA C 41 54.187 54.187 54.099 0.088 17849 11302 1 17 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.112 -0.539 17849 11303 1 17 . 1 1 41 41 LEU H H 41 7.592 7.592 7.820 -0.228 17849 11304 1 17 . 1 1 42 42 SER N N 42 112.869 112.869 113.198 -0.329 17849 11305 1 17 . 1 1 42 42 SER HA H 42 4.797 4.797 4.837 -0.040 17849 11306 1 17 . 1 1 42 42 SER CA C 42 54.960 54.960 55.056 -0.096 17849 11307 1 17 . 1 1 42 42 SER CB C 42 63.177 63.177 63.640 -0.463 17849 11308 1 17 . 1 1 42 42 SER H H 42 8.761 8.761 8.242 0.519 17849 11309 1 17 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.597 0.111 17849 11310 1 17 . 1 1 43 43 PRO C C 43 177.533 177.533 176.297 1.236 17849 11311 1 17 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.510 -0.335 17849 11312 1 17 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.453 -0.579 17849 11313 1 17 . 1 1 44 44 SER N N 44 119.089 119.089 118.184 0.905 17849 11314 1 17 . 1 1 44 44 SER HA H 44 4.574 4.574 4.447 0.127 17849 11315 1 17 . 1 1 44 44 SER C C 44 174.803 174.803 175.909 -1.106 17849 11316 1 17 . 1 1 44 44 SER CA C 44 56.786 56.786 57.992 -1.206 17849 11317 1 17 . 1 1 44 44 SER CB C 44 65.387 65.387 64.339 1.048 17849 11318 1 17 . 1 1 44 44 SER H H 44 9.014 9.014 8.358 0.656 17849 11319 1 17 . 1 1 45 45 GLU N N 45 121.343 121.343 127.078 -5.735 17849 11320 1 17 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.771 0.173 17849 11321 1 17 . 1 1 45 45 GLU C C 45 178.978 178.978 178.287 0.691 17849 11322 1 17 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.498 -0.392 17849 11323 1 17 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.749 -0.446 17849 11324 1 17 . 1 1 45 45 GLU H H 45 8.925 8.925 9.080 -0.155 17849 11325 1 17 . 1 1 46 46 ALA N N 46 120.822 120.822 121.309 -0.487 17849 11326 1 17 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.117 0.029 17849 11327 1 17 . 1 1 46 46 ALA C C 46 179.782 179.782 179.491 0.291 17849 11328 1 17 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.953 0.133 17849 11329 1 17 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.918 0.339 17849 11330 1 17 . 1 1 46 46 ALA H H 46 8.339 8.339 8.229 0.110 17849 11331 1 17 . 1 1 47 47 GLU N N 47 118.432 118.432 118.659 -0.227 17849 11332 1 17 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.006 0.068 17849 11333 1 17 . 1 1 47 47 GLU C C 47 180.222 180.222 178.842 1.380 17849 11334 1 17 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.910 -0.701 17849 11335 1 17 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.219 0.666 17849 11336 1 17 . 1 1 47 47 GLU H H 47 7.759 7.759 8.380 -0.621 17849 11337 1 17 . 1 1 48 48 VAL N N 48 120.023 120.023 119.954 0.069 17849 11338 1 17 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.581 -0.083 17849 11339 1 17 . 1 1 48 48 VAL C C 48 177.380 177.380 177.497 -0.117 17849 11340 1 17 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.564 0.694 17849 11341 1 17 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.268 0.093 17849 11342 1 17 . 1 1 48 48 VAL H H 48 8.174 8.174 8.428 -0.254 17849 11343 1 17 . 1 1 49 49 ASN N N 49 118.475 118.475 118.192 0.283 17849 11344 1 17 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.152 0.253 17849 11345 1 17 . 1 1 49 49 ASN C C 49 177.352 177.352 177.029 0.323 17849 11346 1 17 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.471 0.239 17849 11347 1 17 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.181 0.089 17849 11348 1 17 . 1 1 49 49 ASN H H 49 8.208 8.208 8.306 -0.098 17849 11349 1 17 . 1 1 50 50 ASP N N 50 120.147 120.147 120.941 -0.794 17849 11350 1 17 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.400 0.082 17849 11351 1 17 . 1 1 50 50 ASP C C 50 178.973 178.973 178.340 0.633 17849 11352 1 17 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.870 0.570 17849 11353 1 17 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.820 -0.640 17849 11354 1 17 . 1 1 50 50 ASP H H 50 8.400 8.400 7.503 0.897 17849 11355 1 17 . 1 1 51 51 LEU N N 51 121.706 121.706 119.980 1.726 17849 11356 1 17 . 1 1 51 51 LEU HA H 51 4.108 4.108 3.911 0.197 17849 11357 1 17 . 1 1 51 51 LEU C C 51 178.796 178.796 179.589 -0.793 17849 11358 1 17 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.724 0.408 17849 11359 1 17 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.734 0.156 17849 11360 1 17 . 1 1 51 51 LEU H H 51 7.830 7.830 7.398 0.432 17849 11361 1 17 . 1 1 52 52 MET N N 52 117.267 117.267 114.834 2.433 17849 11362 1 17 . 1 1 52 52 MET HA H 52 4.145 4.145 4.179 -0.034 17849 11363 1 17 . 1 1 52 52 MET C C 52 178.260 178.260 178.650 -0.390 17849 11364 1 17 . 1 1 52 52 MET CA C 52 57.418 57.418 56.877 0.541 17849 11365 1 17 . 1 1 52 52 MET CB C 52 30.089 30.089 30.918 -0.829 17849 11366 1 17 . 1 1 52 52 MET H H 52 8.601 8.601 8.729 -0.128 17849 11367 1 17 . 1 1 53 53 ASN N N 53 115.368 115.368 117.757 -2.389 17849 11368 1 17 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.626 -0.053 17849 11369 1 17 . 1 1 53 53 ASN C C 53 176.890 176.890 176.860 0.030 17849 11370 1 17 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.756 -0.424 17849 11371 1 17 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.595 -0.441 17849 11372 1 17 . 1 1 53 53 ASN H H 53 8.239 8.239 8.011 0.228 17849 11373 1 17 . 1 1 54 54 GLU N N 54 117.437 117.437 119.393 -1.956 17849 11374 1 17 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.180 0.070 17849 11375 1 17 . 1 1 54 54 GLU C C 54 177.019 177.019 178.005 -0.986 17849 11376 1 17 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.137 -0.450 17849 11377 1 17 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.729 0.364 17849 11378 1 17 . 1 1 54 54 GLU H H 54 7.625 7.625 7.622 0.003 17849 11379 1 17 . 1 1 55 55 ILE N N 55 117.098 117.098 117.816 -0.718 17849 11380 1 17 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.776 0.125 17849 11381 1 17 . 1 1 55 55 ILE C C 55 176.027 176.027 176.350 -0.323 17849 11382 1 17 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.785 -1.148 17849 11383 1 17 . 1 1 55 55 ILE CB C 55 40.036 40.036 37.988 2.048 17849 11384 1 17 . 1 1 55 55 ILE H H 55 7.496 7.496 7.384 0.112 17849 11385 1 17 . 1 1 56 56 ASP N N 56 118.367 118.367 119.424 -1.057 17849 11386 1 17 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.636 -0.219 17849 11387 1 17 . 1 1 56 56 ASP C C 56 175.761 175.761 176.194 -0.433 17849 11388 1 17 . 1 1 56 56 ASP CA C 56 54.407 54.407 55.516 -1.109 17849 11389 1 17 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.158 0.075 17849 11390 1 17 . 1 1 56 56 ASP H H 56 8.329 8.329 8.071 0.258 17849 11391 1 17 . 1 1 57 57 VAL N N 57 126.262 126.262 123.581 2.681 17849 11392 1 17 . 1 1 57 57 VAL HA H 57 4.006 4.006 4.014 -0.008 17849 11393 1 17 . 1 1 57 57 VAL C C 57 177.253 177.253 176.516 0.737 17849 11394 1 17 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.465 -0.240 17849 11395 1 17 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.691 0.495 17849 11396 1 17 . 1 1 57 57 VAL H H 57 8.116 8.116 8.176 -0.060 17849 11397 1 17 . 1 1 58 58 ASP N N 58 116.896 116.896 117.182 -0.286 17849 11398 1 17 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.681 -0.109 17849 11399 1 17 . 1 1 58 58 ASP C C 58 177.670 177.670 176.572 1.098 17849 11400 1 17 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.792 0.013 17849 11401 1 17 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.433 -1.440 17849 11402 1 17 . 1 1 58 58 ASP H H 58 8.356 8.356 8.278 0.078 17849 11403 1 17 . 1 1 59 59 GLY N N 59 107.989 107.989 108.696 -0.707 17849 11404 1 17 . 1 1 59 59 GLY C C 59 174.661 174.661 174.733 -0.072 17849 11405 1 17 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.505 1.574 17849 11406 1 17 . 1 1 59 59 GLY H H 59 7.622 7.622 8.211 -0.589 17849 11407 1 17 . 1 1 60 60 ASN N N 60 118.703 118.703 118.547 0.156 17849 11408 1 17 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.541 0.001 17849 11409 1 17 . 1 1 60 60 ASN C C 60 175.787 175.787 174.610 1.177 17849 11410 1 17 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.035 0.248 17849 11411 1 17 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.010 -1.826 17849 11412 1 17 . 1 1 60 60 ASN H H 60 8.096 8.096 8.399 -0.303 17849 11413 1 17 . 1 1 61 61 HIS N N 61 117.475 117.475 114.468 3.007 17849 11414 1 17 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.149 -0.281 17849 11415 1 17 . 1 1 61 61 HIS C C 61 172.407 172.407 173.331 -0.924 17849 11416 1 17 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.281 -0.853 17849 11417 1 17 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.065 0.908 17849 11418 1 17 . 1 1 61 61 HIS H H 61 9.998 9.998 8.895 1.103 17849 11419 1 17 . 1 1 62 62 GLN N N 62 112.629 112.629 116.042 -3.413 17849 11420 1 17 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.269 -0.460 17849 11421 1 17 . 1 1 62 62 GLN C C 62 174.654 174.654 174.612 0.042 17849 11422 1 17 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.597 -0.789 17849 11423 1 17 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.743 -0.618 17849 11424 1 17 . 1 1 62 62 GLN H H 62 7.541 7.541 8.627 -1.085 17849 11425 1 17 . 1 1 63 63 ILE N N 63 123.800 123.800 125.187 -1.387 17849 11426 1 17 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.317 0.729 17849 11427 1 17 . 1 1 63 63 ILE C C 63 176.626 176.626 175.458 1.168 17849 11428 1 17 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.998 0.895 17849 11429 1 17 . 1 1 63 63 ILE CB C 63 39.180 39.180 38.834 0.346 17849 11430 1 17 . 1 1 63 63 ILE H H 63 9.312 9.312 8.741 0.571 17849 11431 1 17 . 1 1 64 64 GLU N N 64 128.941 128.941 124.982 3.959 17849 11432 1 17 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.668 0.308 17849 11433 1 17 . 1 1 64 64 GLU C C 64 178.001 178.001 177.213 0.788 17849 11434 1 17 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.597 3.123 17849 11435 1 17 . 1 1 64 64 GLU CB C 64 31.228 31.228 33.131 -1.903 17849 11436 1 17 . 1 1 64 64 GLU H H 64 8.846 8.846 8.536 0.310 17849 11437 1 17 . 1 1 65 65 PHE N N 65 124.119 124.119 121.871 2.248 17849 11438 1 17 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.258 -0.732 17849 11439 1 17 . 1 1 65 65 PHE C C 65 176.981 176.981 176.782 0.199 17849 11440 1 17 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.096 1.168 17849 11441 1 17 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.074 -1.250 17849 11442 1 17 . 1 1 65 65 PHE H H 65 9.488 9.488 8.984 0.504 17849 11443 1 17 . 1 1 66 66 SER N N 66 112.445 112.445 114.579 -2.134 17849 11444 1 17 . 1 1 66 66 SER HA H 66 3.667 3.667 4.165 -0.498 17849 11445 1 17 . 1 1 66 66 SER C C 66 177.385 177.385 176.283 1.102 17849 11446 1 17 . 1 1 66 66 SER CA C 66 61.503 61.503 60.497 1.006 17849 11447 1 17 . 1 1 66 66 SER CB C 66 61.285 61.285 62.816 -1.531 17849 11448 1 17 . 1 1 66 66 SER H H 66 8.972 8.972 8.068 0.904 17849 11449 1 17 . 1 1 67 67 GLU N N 67 122.775 122.775 123.885 -1.110 17849 11450 1 17 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.945 0.175 17849 11451 1 17 . 1 1 67 67 GLU C C 67 178.567 178.567 178.838 -0.271 17849 11452 1 17 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.056 -1.213 17849 11453 1 17 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.251 -0.002 17849 11454 1 17 . 1 1 67 67 GLU H H 67 6.799 6.799 8.191 -1.392 17849 11455 1 17 . 1 1 68 68 PHE N N 68 123.231 123.231 119.865 3.366 17849 11456 1 17 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.147 -0.316 17849 11457 1 17 . 1 1 68 68 PHE C C 68 175.936 175.936 177.436 -1.500 17849 11458 1 17 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.191 -0.076 17849 11459 1 17 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.219 0.996 17849 11460 1 17 . 1 1 68 68 PHE H H 68 8.176 8.176 8.667 -0.491 17849 11461 1 17 . 1 1 69 69 LEU N N 69 118.554 118.554 117.763 0.791 17849 11462 1 17 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.377 -0.211 17849 11463 1 17 . 1 1 69 69 LEU C C 69 179.074 179.074 177.506 1.568 17849 11464 1 17 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.642 0.490 17849 11465 1 17 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.342 -0.076 17849 11466 1 17 . 1 1 69 69 LEU H H 69 8.626 8.626 7.371 1.255 17849 11467 1 17 . 1 1 70 70 ALA N N 70 120.878 120.878 119.638 1.240 17849 11468 1 17 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.076 -0.191 17849 11469 1 17 . 1 1 70 70 ALA C C 70 179.914 179.914 179.970 -0.056 17849 11470 1 17 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.069 0.901 17849 11471 1 17 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.868 -1.091 17849 11472 1 17 . 1 1 70 70 ALA H H 70 7.322 7.322 7.956 -0.634 17849 11473 1 17 . 1 1 71 71 LEU N N 71 118.871 118.871 118.590 0.281 17849 11474 1 17 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.736 0.192 17849 11475 1 17 . 1 1 71 71 LEU C C 71 178.009 178.009 178.593 -0.584 17849 11476 1 17 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.293 0.451 17849 11477 1 17 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.349 0.063 17849 11478 1 17 . 1 1 71 71 LEU H H 71 7.219 7.219 7.754 -0.535 17849 11479 1 17 . 1 1 72 72 MET N N 72 113.480 113.480 112.753 0.727 17849 11480 1 17 . 1 1 72 72 MET HA H 72 4.165 4.165 4.354 -0.189 17849 11481 1 17 . 1 1 72 72 MET CA C 72 55.413 55.413 56.120 -0.707 17849 11482 1 17 . 1 1 72 72 MET CB C 72 31.199 31.199 32.648 -1.449 17849 11483 1 17 . 1 1 72 72 MET H H 72 7.486 7.486 7.163 0.323 17849 11484 1 17 . 1 1 73 73 SER HA H 73 4.337 4.337 4.557 -0.220 17849 11485 1 17 . 1 1 73 73 SER C C 73 174.241 174.241 175.795 -1.554 17849 11486 1 17 . 1 1 73 73 SER CA C 73 59.132 59.132 58.022 1.111 17849 11487 1 17 . 1 1 73 73 SER CB C 73 63.649 63.649 64.217 -0.568 17849 11488 1 17 . 1 1 73 73 SER H H 73 7.699 7.699 7.895 -0.196 17849 11489 1 17 . 1 1 74 74 ARG N N 74 121.213 121.213 120.982 0.231 17849 11490 1 17 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.263 -0.052 17849 11491 1 17 . 1 1 74 74 ARG C C 74 175.638 175.638 177.972 -2.334 17849 11492 1 17 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.175 -1.325 17849 11493 1 17 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.933 0.739 17849 11494 1 17 . 1 1 74 74 ARG H H 74 7.400 7.400 7.792 -0.392 17849 11495 1 17 . 1 1 75 75 GLN N N 75 118.914 118.914 118.302 0.612 17849 11496 1 17 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.945 1.370 17849 11497 1 17 . 1 1 75 75 GLN H H 75 8.090 8.090 8.323 -0.233 17849 11498 1 17 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.067 0.320 17849 11499 1 17 . 1 1 77 77 LYS C C 77 176.410 176.410 177.004 -0.594 17849 11500 1 17 . 1 1 77 77 LYS CA C 77 56.042 56.042 57.297 -1.255 17849 11501 1 17 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.691 0.466 17849 11502 1 17 . 1 1 78 78 SER N N 78 116.257 116.257 124.118 -7.861 17849 11503 1 17 . 1 1 78 78 SER HA H 78 4.422 4.422 4.552 -0.130 17849 11504 1 17 . 1 1 78 78 SER C C 78 174.436 174.436 173.409 1.027 17849 11505 1 17 . 1 1 78 78 SER CA C 78 58.366 58.366 58.469 -0.103 17849 11506 1 17 . 1 1 78 78 SER CB C 78 63.855 63.855 62.444 1.411 17849 11507 1 17 . 1 1 78 78 SER H H 78 8.332 8.332 8.790 -0.458 17849 11508 1 17 . 1 1 79 79 ASN N N 79 120.267 120.267 118.600 1.667 17849 11509 1 17 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.686 0.041 17849 11510 1 17 . 1 1 79 79 ASN C C 79 174.966 174.966 173.136 1.830 17849 11511 1 17 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.305 0.162 17849 11512 1 17 . 1 1 79 79 ASN CB C 79 38.869 38.869 41.361 -2.492 17849 11513 1 17 . 1 1 79 79 ASN H H 79 8.548 8.548 7.646 0.902 17849 11514 1 17 . 1 1 80 80 ASP N N 80 119.659 119.659 123.044 -3.385 17849 11515 1 17 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.535 0.082 17849 11516 1 17 . 1 1 80 80 ASP C C 80 176.412 176.412 175.677 0.735 17849 11517 1 17 . 1 1 80 80 ASP CA C 80 54.710 54.710 55.619 -0.909 17849 11518 1 17 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.711 0.512 17849 11519 1 17 . 1 1 80 80 ASP H H 80 8.325 8.325 8.749 -0.424 17849 11520 1 17 . 1 1 81 81 SER N N 81 115.425 115.425 119.753 -4.328 17849 11521 1 17 . 1 1 81 81 SER HA H 81 4.414 4.414 4.374 0.040 17849 11522 1 17 . 1 1 81 81 SER C C 81 174.733 174.733 175.463 -0.730 17849 11523 1 17 . 1 1 81 81 SER CA C 81 59.183 59.183 58.582 0.601 17849 11524 1 17 . 1 1 81 81 SER CB C 81 63.784 63.784 64.283 -0.499 17849 11525 1 17 . 1 1 81 81 SER H H 81 8.256 8.256 8.354 -0.098 17849 11526 1 17 . 1 1 82 82 GLU N N 82 121.456 121.456 121.737 -0.281 17849 11527 1 17 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.224 0.099 17849 11528 1 17 . 1 1 82 82 GLU C C 82 176.385 176.385 175.976 0.409 17849 11529 1 17 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.739 -0.011 17849 11530 1 17 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.727 0.145 17849 11531 1 17 . 1 1 82 82 GLU H H 82 8.375 8.375 8.531 -0.156 17849 11532 1 17 . 1 1 83 83 GLN N N 83 120.069 120.069 113.964 6.105 17849 11533 1 17 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.001 0.304 17849 11534 1 17 . 1 1 83 83 GLN C C 83 176.054 176.054 176.301 -0.247 17849 11535 1 17 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.984 -0.837 17849 11536 1 17 . 1 1 83 83 GLN CB C 83 29.303 29.303 27.672 1.631 17849 11537 1 17 . 1 1 83 83 GLN H H 83 8.233 8.233 8.573 -0.340 17849 11538 1 17 . 1 1 84 84 GLU N N 84 122.390 122.390 117.647 4.743 17849 11539 1 17 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.204 0.087 17849 11540 1 17 . 1 1 84 84 GLU C C 84 177.528 177.528 177.087 0.441 17849 11541 1 17 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.028 -0.830 17849 11542 1 17 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.625 0.488 17849 11543 1 17 . 1 1 84 84 GLU H H 84 8.567 8.567 8.131 0.436 17849 11544 1 17 . 1 1 85 85 LEU N N 85 122.788 122.788 119.528 3.260 17849 11545 1 17 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.395 -0.200 17849 11546 1 17 . 1 1 85 85 LEU CA C 85 56.517 56.517 56.654 -0.137 17849 11547 1 17 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.814 0.602 17849 11548 1 17 . 1 1 85 85 LEU H H 85 8.434 8.434 8.013 0.421 17849 11549 1 17 . 1 1 86 86 LEU N N 86 119.558 119.558 119.586 -0.028 17849 11550 1 17 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.049 0.108 17849 11551 1 17 . 1 1 86 86 LEU CA C 86 56.119 56.119 58.164 -2.045 17849 11552 1 17 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.439 0.119 17849 11553 1 17 . 1 1 86 86 LEU H H 86 8.037 8.037 8.025 0.012 17849 11554 1 17 . 1 1 87 87 GLU N N 87 121.323 121.323 118.550 2.773 17849 11555 1 17 . 1 1 87 87 GLU HA H 87 3.923 3.923 3.993 -0.070 17849 11556 1 17 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.937 0.610 17849 11557 1 17 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.294 1.049 17849 11558 1 17 . 1 1 87 87 GLU H H 87 8.192 8.192 7.941 0.251 17849 11559 1 17 . 1 1 88 88 ALA N N 88 119.942 119.942 120.940 -0.998 17849 11560 1 17 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.156 -0.080 17849 11561 1 17 . 1 1 88 88 ALA C C 88 178.281 178.281 178.510 -0.229 17849 11562 1 17 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.057 0.424 17849 11563 1 17 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.685 0.125 17849 11564 1 17 . 1 1 88 88 ALA H H 88 8.363 8.363 8.002 0.361 17849 11565 1 17 . 1 1 89 89 PHE N N 89 111.807 111.807 117.346 -5.539 17849 11566 1 17 . 1 1 89 89 PHE HA H 89 4.489 4.489 3.737 0.752 17849 11567 1 17 . 1 1 89 89 PHE C C 89 176.632 176.632 176.416 0.216 17849 11568 1 17 . 1 1 89 89 PHE CA C 89 58.478 58.478 58.057 0.421 17849 11569 1 17 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.190 0.452 17849 11570 1 17 . 1 1 89 89 PHE H H 89 7.855 7.855 8.000 -0.145 17849 11571 1 17 . 1 1 90 90 LYS N N 90 120.375 120.375 121.535 -1.160 17849 11572 1 17 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.131 -0.133 17849 11573 1 17 . 1 1 90 90 LYS C C 90 178.490 178.490 178.158 0.332 17849 11574 1 17 . 1 1 90 90 LYS CA C 90 59.994 59.994 58.013 1.981 17849 11575 1 17 . 1 1 90 90 LYS CB C 90 31.914 31.914 31.941 -0.027 17849 11576 1 17 . 1 1 90 90 LYS H H 90 7.957 7.957 7.648 0.309 17849 11577 1 17 . 1 1 91 91 VAL N N 91 116.643 116.643 120.342 -3.699 17849 11578 1 17 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.740 0.134 17849 11579 1 17 . 1 1 91 91 VAL C C 91 175.413 175.413 176.107 -0.694 17849 11580 1 17 . 1 1 91 91 VAL CA C 91 63.693 63.693 64.896 -1.203 17849 11581 1 17 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.881 -0.648 17849 11582 1 17 . 1 1 91 91 VAL H H 91 7.389 7.389 7.041 0.348 17849 11583 1 17 . 1 1 92 92 PHE N N 92 115.769 115.769 114.993 0.776 17849 11584 1 17 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.486 0.034 17849 11585 1 17 . 1 1 92 92 PHE CA C 92 59.175 59.175 56.633 2.542 17849 11586 1 17 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.434 1.800 17849 11587 1 17 . 1 1 92 92 PHE H H 92 7.534 7.534 6.959 0.575 17849 11588 1 17 . 1 1 93 93 ASP N N 93 115.397 115.397 120.427 -5.030 17849 11589 1 17 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.118 -0.260 17849 11590 1 17 . 1 1 93 93 ASP C C 93 177.421 177.421 176.591 0.830 17849 11591 1 17 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.961 -0.494 17849 11592 1 17 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.992 -2.012 17849 11593 1 17 . 1 1 93 93 ASP H H 93 7.543 7.543 7.923 -0.380 17849 11594 1 17 . 1 1 94 94 LYS N N 94 125.591 125.591 124.984 0.607 17849 11595 1 17 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.336 -0.257 17849 11596 1 17 . 1 1 94 94 LYS C C 94 177.856 177.856 177.278 0.578 17849 11597 1 17 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.680 1.250 17849 11598 1 17 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.840 -0.446 17849 11599 1 17 . 1 1 94 94 LYS H H 94 7.873 7.873 8.514 -0.641 17849 11600 1 17 . 1 1 95 95 ASN N N 95 112.796 112.796 116.638 -3.842 17849 11601 1 17 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.766 0.031 17849 11602 1 17 . 1 1 95 95 ASN C C 95 176.619 176.619 175.492 1.127 17849 11603 1 17 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.597 -0.687 17849 11604 1 17 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.436 -0.160 17849 11605 1 17 . 1 1 95 95 ASN H H 95 8.272 8.272 7.829 0.443 17849 11606 1 17 . 1 1 96 96 GLY N N 96 109.132 109.132 107.922 1.210 17849 11607 1 17 . 1 1 96 96 GLY C C 96 174.799 174.799 174.486 0.313 17849 11608 1 17 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.697 0.874 17849 11609 1 17 . 1 1 96 96 GLY H H 96 7.654 7.654 7.631 0.023 17849 11610 1 17 . 1 1 97 97 ASP N N 97 118.796 118.796 120.303 -1.507 17849 11611 1 17 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.614 -0.084 17849 11612 1 17 . 1 1 97 97 ASP C C 97 177.137 177.137 177.467 -0.330 17849 11613 1 17 . 1 1 97 97 ASP CA C 97 53.392 53.392 52.914 0.478 17849 11614 1 17 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.079 -0.690 17849 11615 1 17 . 1 1 97 97 ASP H H 97 8.090 8.090 8.292 -0.202 17849 11616 1 17 . 1 1 98 98 GLY N N 98 112.962 112.962 108.250 4.712 17849 11617 1 17 . 1 1 98 98 GLY C C 98 172.142 172.142 173.837 -1.695 17849 11618 1 17 . 1 1 98 98 GLY CA C 98 45.724 45.724 46.144 -0.420 17849 11619 1 17 . 1 1 98 98 GLY H H 98 10.329 10.329 8.414 1.915 17849 11620 1 17 . 1 1 99 99 LEU N N 99 119.691 119.691 118.924 0.767 17849 11621 1 17 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.689 0.073 17849 11622 1 17 . 1 1 99 99 LEU C C 99 176.162 176.162 173.765 2.397 17849 11623 1 17 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.803 -1.979 17849 11624 1 17 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.986 -1.204 17849 11625 1 17 . 1 1 99 99 LEU H H 99 8.000 8.000 8.635 -0.635 17849 11626 1 17 . 1 1 100 100 ILE N N 100 127.464 127.464 118.585 8.879 17849 11627 1 17 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.666 0.008 17849 11628 1 17 . 1 1 100 100 ILE C C 100 175.006 175.006 174.260 0.746 17849 11629 1 17 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.286 1.134 17849 11630 1 17 . 1 1 100 100 ILE CB C 100 37.811 37.811 41.425 -3.614 17849 11631 1 17 . 1 1 100 100 ILE H H 100 9.491 9.491 8.187 1.304 17849 11632 1 17 . 1 1 101 101 SER N N 101 123.104 123.104 116.397 6.707 17849 11633 1 17 . 1 1 101 101 SER HA H 101 4.770 4.770 4.810 -0.040 17849 11634 1 17 . 1 1 101 101 SER C C 101 174.847 174.847 175.525 -0.678 17849 11635 1 17 . 1 1 101 101 SER CA C 101 55.854 55.854 55.802 0.052 17849 11636 1 17 . 1 1 101 101 SER CB C 101 65.994 65.994 66.562 -0.568 17849 11637 1 17 . 1 1 101 101 SER H H 101 9.058 9.058 8.094 0.964 17849 11638 1 17 . 1 1 102 102 ALA N N 102 124.316 124.316 123.174 1.142 17849 11639 1 17 . 1 1 102 102 ALA HA H 102 3.616 3.616 3.868 -0.252 17849 11640 1 17 . 1 1 102 102 ALA C C 102 179.388 179.388 179.219 0.169 17849 11641 1 17 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.097 0.627 17849 11642 1 17 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.036 0.279 17849 11643 1 17 . 1 1 102 102 ALA H H 102 8.587 8.587 8.138 0.449 17849 11644 1 17 . 1 1 103 103 ALA N N 103 118.346 118.346 121.220 -2.874 17849 11645 1 17 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.928 0.072 17849 11646 1 17 . 1 1 103 103 ALA C C 103 181.188 181.188 179.564 1.624 17849 11647 1 17 . 1 1 103 103 ALA CA C 103 55.058 55.058 55.129 -0.071 17849 11648 1 17 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.785 0.604 17849 11649 1 17 . 1 1 103 103 ALA H H 103 8.266 8.266 7.999 0.267 17849 11650 1 17 . 1 1 104 104 GLU N N 104 120.568 120.568 119.041 1.527 17849 11651 1 17 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.130 -0.074 17849 11652 1 17 . 1 1 104 104 GLU C C 104 178.762 178.762 178.808 -0.046 17849 11653 1 17 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.050 0.918 17849 11654 1 17 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.693 -0.782 17849 11655 1 17 . 1 1 104 104 GLU H H 104 7.928 7.928 7.879 0.049 17849 11656 1 17 . 1 1 105 105 LEU N N 105 117.903 117.903 118.560 -0.657 17849 11657 1 17 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.165 -0.136 17849 11658 1 17 . 1 1 105 105 LEU C C 105 178.497 178.497 178.122 0.375 17849 11659 1 17 . 1 1 105 105 LEU CA C 105 58.453 58.453 56.891 1.562 17849 11660 1 17 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.282 0.910 17849 11661 1 17 . 1 1 105 105 LEU H H 105 7.926 7.926 8.184 -0.258 17849 11662 1 17 . 1 1 106 106 LYS N N 106 115.836 115.836 118.183 -2.347 17849 11663 1 17 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.138 -0.339 17849 11664 1 17 . 1 1 106 106 LYS C C 106 179.102 179.102 178.968 0.134 17849 11665 1 17 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.998 1.175 17849 11666 1 17 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.601 0.009 17849 11667 1 17 . 1 1 106 106 LYS H H 106 8.337 8.337 8.019 0.318 17849 11668 1 17 . 1 1 107 107 HIS N N 107 119.620 119.620 119.706 -0.086 17849 11669 1 17 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.475 -0.221 17849 11670 1 17 . 1 1 107 107 HIS C C 107 178.167 178.167 176.841 1.326 17849 11671 1 17 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.620 1.308 17849 11672 1 17 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.312 0.272 17849 11673 1 17 . 1 1 107 107 HIS H H 107 8.502 8.502 8.292 0.210 17849 11674 1 17 . 1 1 108 108 VAL N N 108 118.595 118.595 119.007 -0.412 17849 11675 1 17 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.595 0.061 17849 11676 1 17 . 1 1 108 108 VAL C C 108 178.608 178.608 176.105 2.503 17849 11677 1 17 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.071 1.285 17849 11678 1 17 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.433 0.882 17849 11679 1 17 . 1 1 108 108 VAL H H 108 8.348 8.348 7.584 0.764 17849 11680 1 17 . 1 1 109 109 LEU N N 109 116.755 116.755 117.128 -0.373 17849 11681 1 17 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.047 0.097 17849 11682 1 17 . 1 1 109 109 LEU C C 109 179.267 179.267 178.334 0.933 17849 11683 1 17 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.343 0.111 17849 11684 1 17 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.867 0.236 17849 11685 1 17 . 1 1 109 109 LEU H H 109 8.251 8.251 7.241 1.010 17849 11686 1 17 . 1 1 110 110 THR N N 110 111.046 111.046 111.312 -0.266 17849 11687 1 17 . 1 1 110 110 THR HA H 110 4.256 4.256 4.375 -0.119 17849 11688 1 17 . 1 1 110 110 THR C C 110 175.897 175.897 174.956 0.941 17849 11689 1 17 . 1 1 110 110 THR CA C 110 64.465 64.465 63.036 1.429 17849 11690 1 17 . 1 1 110 110 THR CB C 110 69.431 69.431 69.413 0.018 17849 11691 1 17 . 1 1 110 110 THR H H 110 8.085 8.085 7.664 0.421 17849 11692 1 17 . 1 1 111 111 SER N N 111 117.074 117.074 115.419 1.655 17849 11693 1 17 . 1 1 111 111 SER HA H 111 4.406 4.406 4.099 0.307 17849 11694 1 17 . 1 1 111 111 SER C C 111 175.051 175.051 175.433 -0.382 17849 11695 1 17 . 1 1 111 111 SER CA C 111 59.968 59.968 58.658 1.310 17849 11696 1 17 . 1 1 111 111 SER CB C 111 63.391 63.391 62.819 0.572 17849 11697 1 17 . 1 1 111 111 SER H H 111 7.681 7.681 7.663 0.018 17849 11698 1 17 . 1 1 112 112 ILE N N 112 119.783 119.783 120.712 -0.929 17849 11699 1 17 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.653 0.438 17849 11700 1 17 . 1 1 112 112 ILE C C 112 177.040 177.040 177.082 -0.042 17849 11701 1 17 . 1 1 112 112 ILE CA C 112 62.524 62.524 64.207 -1.683 17849 11702 1 17 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.273 0.071 17849 11703 1 17 . 1 1 112 112 ILE H H 112 7.444 7.444 7.415 0.029 17849 11704 1 17 . 1 1 113 113 GLY N N 113 110.432 110.432 105.541 4.891 17849 11705 1 17 . 1 1 113 113 GLY C C 113 174.442 174.442 173.951 0.491 17849 11706 1 17 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.721 0.922 17849 11707 1 17 . 1 1 113 113 GLY H H 113 8.148 8.148 8.210 -0.062 17849 11708 1 17 . 1 1 114 114 GLU N N 114 120.374 120.374 121.721 -1.347 17849 11709 1 17 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.449 -0.183 17849 11710 1 17 . 1 1 114 114 GLU C C 114 176.556 176.556 175.810 0.746 17849 11711 1 17 . 1 1 114 114 GLU CA C 114 56.773 56.773 55.843 0.930 17849 11712 1 17 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.458 -0.168 17849 11713 1 17 . 1 1 114 114 GLU H H 114 8.092 8.092 8.436 -0.344 17849 11714 1 17 . 1 1 115 115 LYS N N 115 121.383 121.383 120.978 0.405 17849 11715 1 17 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.166 0.169 17849 11716 1 17 . 1 1 115 115 LYS C C 115 176.654 176.654 176.342 0.312 17849 11717 1 17 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.887 -0.588 17849 11718 1 17 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.498 0.341 17849 11719 1 17 . 1 1 115 115 LYS H H 115 8.221 8.221 8.408 -0.187 17849 11720 1 17 . 1 1 116 116 LEU N N 116 123.146 123.146 119.940 3.206 17849 11721 1 17 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.880 -0.459 17849 11722 1 17 . 1 1 116 116 LEU C C 116 177.677 177.677 176.082 1.595 17849 11723 1 17 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.274 1.046 17849 11724 1 17 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.903 -1.594 17849 11725 1 17 . 1 1 116 116 LEU H H 116 8.265 8.265 8.122 0.143 17849 11726 1 17 . 1 1 117 117 THR N N 117 113.859 113.859 112.391 1.468 17849 11727 1 17 . 1 1 117 117 THR HA H 117 4.337 4.337 4.529 -0.192 17849 11728 1 17 . 1 1 117 117 THR C C 117 174.535 174.535 174.413 0.122 17849 11729 1 17 . 1 1 117 117 THR CA C 117 61.824 61.824 60.834 0.990 17849 11730 1 17 . 1 1 117 117 THR CB C 117 70.096 70.096 70.472 -0.376 17849 11731 1 17 . 1 1 117 117 THR H H 117 8.182 8.182 8.019 0.163 17849 11732 1 17 . 1 1 118 118 ASP N N 118 122.049 122.049 119.657 2.392 17849 11733 1 17 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.682 -0.149 17849 11734 1 17 . 1 1 118 118 ASP C C 118 176.728 176.728 176.043 0.685 17849 11735 1 17 . 1 1 118 118 ASP CA C 118 55.218 55.218 54.410 0.807 17849 11736 1 17 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.569 0.283 17849 11737 1 17 . 1 1 118 118 ASP H H 118 8.367 8.367 8.567 -0.200 17849 11738 1 17 . 1 1 119 119 ALA N N 119 123.432 123.432 120.065 3.367 17849 11739 1 17 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.568 -0.349 17849 11740 1 17 . 1 1 119 119 ALA C C 119 178.486 178.486 177.981 0.505 17849 11741 1 17 . 1 1 119 119 ALA CA C 119 53.433 53.433 51.738 1.695 17849 11742 1 17 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.463 0.612 17849 11743 1 17 . 1 1 119 119 ALA H H 119 8.206 8.206 7.641 0.565 17849 11744 1 17 . 1 1 120 120 GLU N N 120 118.592 118.592 119.770 -1.178 17849 11745 1 17 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.020 0.162 17849 11746 1 17 . 1 1 120 120 GLU C C 120 177.133 177.133 177.388 -0.255 17849 11747 1 17 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.985 -1.880 17849 11748 1 17 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.500 0.552 17849 11749 1 17 . 1 1 120 120 GLU H H 120 8.187 8.187 8.386 -0.199 17849 11750 1 17 . 1 1 121 121 LEU N N 121 121.427 121.427 111.755 9.672 17849 11751 1 17 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.625 -0.421 17849 11752 1 17 . 1 1 121 121 LEU C C 121 177.710 177.710 177.662 0.048 17849 11753 1 17 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.397 0.355 17849 11754 1 17 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.278 -1.020 17849 11755 1 17 . 1 1 121 121 LEU H H 121 8.020 8.020 7.625 0.395 17849 11756 1 17 . 1 1 122 122 GLU N N 122 119.850 119.850 120.525 -0.675 17849 11757 1 17 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.284 -0.157 17849 11758 1 17 . 1 1 122 122 GLU C C 122 176.518 176.518 175.698 0.820 17849 11759 1 17 . 1 1 122 122 GLU CA C 122 57.014 57.014 56.058 0.956 17849 11760 1 17 . 1 1 122 122 GLU CB C 122 30.056 30.056 28.156 1.900 17849 11761 1 17 . 1 1 122 122 GLU H H 122 8.118 8.118 8.369 -0.251 17849 11762 1 17 . 1 1 123 123 HIS N N 123 118.817 118.817 124.073 -5.256 17849 11763 1 17 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.995 0.264 17849 11764 1 17 . 1 1 123 123 HIS H H 123 8.106 8.106 8.351 -0.245 17849 11765 1 18 . 1 1 2 2 SER HA H 2 4.507 4.507 4.585 -0.078 17849 11766 1 18 . 1 1 2 2 SER CA C 2 58.342 58.342 58.578 -0.236 17849 11767 1 18 . 1 1 2 2 SER CB C 2 63.883 63.883 63.378 0.505 17849 11768 1 18 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.861 -0.097 17849 11769 1 18 . 1 1 3 3 ASN C C 3 174.784 174.784 173.534 1.250 17849 11770 1 18 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.572 0.553 17849 11771 1 18 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.254 -1.361 17849 11772 1 18 . 1 1 4 4 LEU N N 4 121.466 121.466 121.786 -0.320 17849 11773 1 18 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.630 0.070 17849 11774 1 18 . 1 1 4 4 LEU C C 4 177.665 177.665 176.587 1.078 17849 11775 1 18 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.673 -1.161 17849 11776 1 18 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.413 1.226 17849 11777 1 18 . 1 1 4 4 LEU H H 4 8.097 8.097 8.597 -0.500 17849 11778 1 18 . 1 1 5 5 THR N N 5 112.990 112.990 115.553 -2.563 17849 11779 1 18 . 1 1 5 5 THR HA H 5 4.481 4.481 4.649 -0.168 17849 11780 1 18 . 1 1 5 5 THR C C 5 175.474 175.474 175.235 0.239 17849 11781 1 18 . 1 1 5 5 THR CA C 5 60.528 60.528 59.973 0.555 17849 11782 1 18 . 1 1 5 5 THR CB C 5 71.244 71.244 71.428 -0.184 17849 11783 1 18 . 1 1 5 5 THR H H 5 8.778 8.778 7.980 0.798 17849 11784 1 18 . 1 1 6 6 GLU N N 6 120.343 120.343 119.993 0.350 17849 11785 1 18 . 1 1 6 6 GLU HA H 6 4.002 4.002 4.002 -0.000 17849 11786 1 18 . 1 1 6 6 GLU C C 6 179.568 179.568 178.594 0.974 17849 11787 1 18 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.166 0.010 17849 11788 1 18 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.287 -0.062 17849 11789 1 18 . 1 1 6 6 GLU H H 6 9.078 9.078 8.928 0.150 17849 11790 1 18 . 1 1 7 7 GLU N N 7 119.544 119.544 120.071 -0.527 17849 11791 1 18 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.006 0.105 17849 11792 1 18 . 1 1 7 7 GLU C C 7 179.170 179.170 179.264 -0.094 17849 11793 1 18 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.142 0.895 17849 11794 1 18 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.266 -0.149 17849 11795 1 18 . 1 1 7 7 GLU H H 7 8.820 8.820 7.822 0.998 17849 11796 1 18 . 1 1 8 8 GLN N N 8 119.824 119.824 118.257 1.567 17849 11797 1 18 . 1 1 8 8 GLN HA H 8 4.164 4.164 4.027 0.137 17849 11798 1 18 . 1 1 8 8 GLN C C 8 179.652 179.652 179.060 0.592 17849 11799 1 18 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.654 0.098 17849 11800 1 18 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.879 0.860 17849 11801 1 18 . 1 1 8 8 GLN H H 8 7.812 7.812 7.477 0.335 17849 11802 1 18 . 1 1 9 9 ILE N N 9 120.978 120.978 120.962 0.016 17849 11803 1 18 . 1 1 9 9 ILE HA H 9 3.852 3.852 4.082 -0.230 17849 11804 1 18 . 1 1 9 9 ILE C C 9 177.899 177.899 178.286 -0.387 17849 11805 1 18 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.917 0.659 17849 11806 1 18 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.690 0.299 17849 11807 1 18 . 1 1 9 9 ILE H H 9 8.634 8.634 8.612 0.022 17849 11808 1 18 . 1 1 10 10 ALA N N 10 121.528 121.528 120.800 0.728 17849 11809 1 18 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.041 0.065 17849 11810 1 18 . 1 1 10 10 ALA C C 10 180.886 180.886 179.699 1.187 17849 11811 1 18 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.380 0.038 17849 11812 1 18 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.922 -0.147 17849 11813 1 18 . 1 1 10 10 ALA H H 10 8.142 8.142 8.302 -0.160 17849 11814 1 18 . 1 1 11 11 GLU N N 11 118.807 118.807 118.672 0.135 17849 11815 1 18 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.097 0.117 17849 11816 1 18 . 1 1 11 11 GLU C C 11 180.292 180.292 179.023 1.269 17849 11817 1 18 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.747 0.617 17849 11818 1 18 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.655 0.133 17849 11819 1 18 . 1 1 11 11 GLU H H 11 7.810 7.810 8.146 -0.336 17849 11820 1 18 . 1 1 12 12 PHE N N 12 118.671 118.671 120.288 -1.617 17849 11821 1 18 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.272 0.374 17849 11822 1 18 . 1 1 12 12 PHE C C 12 179.032 179.032 177.665 1.367 17849 11823 1 18 . 1 1 12 12 PHE CA C 12 63.160 63.160 60.912 2.248 17849 11824 1 18 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.222 0.792 17849 11825 1 18 . 1 1 12 12 PHE H H 12 8.432 8.432 8.641 -0.209 17849 11826 1 18 . 1 1 13 13 LYS N N 13 123.536 123.536 119.291 4.245 17849 11827 1 18 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.128 -0.288 17849 11828 1 18 . 1 1 13 13 LYS C C 13 179.114 179.114 179.197 -0.083 17849 11829 1 18 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.436 -0.348 17849 11830 1 18 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.227 -0.575 17849 11831 1 18 . 1 1 13 13 LYS H H 13 8.981 8.981 8.805 0.176 17849 11832 1 18 . 1 1 14 14 GLU N N 14 119.691 119.691 118.783 0.908 17849 11833 1 18 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.271 -0.174 17849 11834 1 18 . 1 1 14 14 GLU C C 14 179.285 179.285 178.661 0.624 17849 11835 1 18 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.583 0.662 17849 11836 1 18 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.725 -0.084 17849 11837 1 18 . 1 1 14 14 GLU H H 14 7.737 7.737 7.742 -0.005 17849 11838 1 18 . 1 1 15 15 ALA N N 15 120.127 120.127 122.737 -2.610 17849 11839 1 18 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.108 0.059 17849 11840 1 18 . 1 1 15 15 ALA C C 15 178.607 178.607 179.651 -1.044 17849 11841 1 18 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.009 0.050 17849 11842 1 18 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.439 0.692 17849 11843 1 18 . 1 1 15 15 ALA H H 15 7.747 7.747 7.905 -0.158 17849 11844 1 18 . 1 1 16 16 PHE N N 16 119.058 119.058 117.952 1.106 17849 11845 1 18 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.908 -0.601 17849 11846 1 18 . 1 1 16 16 PHE C C 16 177.236 177.236 177.152 0.084 17849 11847 1 18 . 1 1 16 16 PHE CA C 16 61.705 61.705 59.693 2.012 17849 11848 1 18 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.077 0.675 17849 11849 1 18 . 1 1 16 16 PHE H H 16 8.908 8.908 8.289 0.619 17849 11850 1 18 . 1 1 17 17 ALA N N 17 119.352 119.352 122.614 -3.262 17849 11851 1 18 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.176 -0.053 17849 11852 1 18 . 1 1 17 17 ALA C C 17 178.680 178.680 178.623 0.057 17849 11853 1 18 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.612 -0.073 17849 11854 1 18 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.432 -0.217 17849 11855 1 18 . 1 1 17 17 ALA H H 17 7.877 7.877 7.632 0.245 17849 11856 1 18 . 1 1 18 18 LEU N N 18 115.281 115.281 117.655 -2.374 17849 11857 1 18 . 1 1 18 18 LEU HA H 18 4.055 4.055 3.949 0.106 17849 11858 1 18 . 1 1 18 18 LEU C C 18 178.393 178.393 178.354 0.039 17849 11859 1 18 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.883 -1.240 17849 11860 1 18 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.547 0.196 17849 11861 1 18 . 1 1 18 18 LEU H H 18 7.369 7.369 8.353 -0.984 17849 11862 1 18 . 1 1 19 19 PHE N N 19 115.719 115.719 114.940 0.779 17849 11863 1 18 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.391 -0.182 17849 11864 1 18 . 1 1 19 19 PHE C C 19 176.704 176.704 176.534 0.170 17849 11865 1 18 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.878 -0.645 17849 11866 1 18 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.706 1.964 17849 11867 1 18 . 1 1 19 19 PHE H H 19 7.468 7.468 8.025 -0.557 17849 11868 1 18 . 1 1 20 20 ASP N N 20 117.209 117.209 119.165 -1.956 17849 11869 1 18 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.603 -0.142 17849 11870 1 18 . 1 1 20 20 ASP C C 20 176.557 176.557 176.358 0.199 17849 11871 1 18 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.544 -3.299 17849 11872 1 18 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.876 -2.729 17849 11873 1 18 . 1 1 20 20 ASP H H 20 7.488 7.488 7.955 -0.467 17849 11874 1 18 . 1 1 21 21 LYS N N 21 124.086 124.086 125.113 -1.027 17849 11875 1 18 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.234 -0.236 17849 11876 1 18 . 1 1 21 21 LYS C C 21 177.844 177.844 177.605 0.239 17849 11877 1 18 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.256 0.052 17849 11878 1 18 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.794 -0.342 17849 11879 1 18 . 1 1 21 21 LYS H H 21 7.376 7.376 8.751 -1.375 17849 11880 1 18 . 1 1 22 22 ASP N N 22 114.097 114.097 115.621 -1.524 17849 11881 1 18 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.609 -0.005 17849 11882 1 18 . 1 1 22 22 ASP C C 22 176.349 176.349 176.169 0.180 17849 11883 1 18 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.366 -0.663 17849 11884 1 18 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.616 -1.261 17849 11885 1 18 . 1 1 22 22 ASP H H 22 8.113 8.113 8.358 -0.245 17849 11886 1 18 . 1 1 23 23 ASN N N 23 115.562 115.562 118.357 -2.795 17849 11887 1 18 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.560 -0.165 17849 11888 1 18 . 1 1 23 23 ASN C C 23 174.864 174.864 174.910 -0.046 17849 11889 1 18 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.429 0.971 17849 11890 1 18 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.470 0.454 17849 11891 1 18 . 1 1 23 23 ASN H H 23 8.048 8.048 8.519 -0.471 17849 11892 1 18 . 1 1 24 24 ASN N N 24 117.615 117.615 118.183 -0.568 17849 11893 1 18 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.777 0.058 17849 11894 1 18 . 1 1 24 24 ASN C C 24 177.445 177.445 176.364 1.081 17849 11895 1 18 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.447 -1.032 17849 11896 1 18 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.496 -1.015 17849 11897 1 18 . 1 1 24 24 ASN H H 24 8.517 8.517 9.177 -0.660 17849 11898 1 18 . 1 1 25 25 GLY N N 25 114.308 114.308 108.117 6.191 17849 11899 1 18 . 1 1 25 25 GLY C C 25 173.105 173.105 173.499 -0.394 17849 11900 1 18 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.927 0.553 17849 11901 1 18 . 1 1 25 25 GLY H H 25 10.729 10.729 9.237 1.492 17849 11902 1 18 . 1 1 26 26 SER N N 26 113.267 113.267 117.293 -4.026 17849 11903 1 18 . 1 1 26 26 SER HA H 26 5.330 5.330 5.895 -0.565 17849 11904 1 18 . 1 1 26 26 SER C C 26 172.610 172.610 173.581 -0.971 17849 11905 1 18 . 1 1 26 26 SER CA C 26 57.375 57.375 56.963 0.412 17849 11906 1 18 . 1 1 26 26 SER CB C 26 66.504 66.504 66.677 -0.173 17849 11907 1 18 . 1 1 26 26 SER H H 26 7.773 7.773 8.405 -0.632 17849 11908 1 18 . 1 1 27 27 ILE N N 27 127.124 127.124 120.695 6.429 17849 11909 1 18 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.614 0.274 17849 11910 1 18 . 1 1 27 27 ILE C C 27 175.876 175.876 175.076 0.800 17849 11911 1 18 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.090 -0.054 17849 11912 1 18 . 1 1 27 27 ILE CB C 27 38.896 38.896 41.813 -2.917 17849 11913 1 18 . 1 1 27 27 ILE H H 27 9.848 9.848 8.140 1.708 17849 11914 1 18 . 1 1 28 28 SER N N 28 124.825 124.825 119.616 5.209 17849 11915 1 18 . 1 1 28 28 SER HA H 28 4.771 4.771 5.195 -0.424 17849 11916 1 18 . 1 1 28 28 SER C C 28 175.395 175.395 175.814 -0.419 17849 11917 1 18 . 1 1 28 28 SER CA C 28 56.680 56.680 55.083 1.597 17849 11918 1 18 . 1 1 28 28 SER CB C 28 66.154 66.154 65.293 0.861 17849 11919 1 18 . 1 1 28 28 SER H H 28 9.347 9.347 8.334 1.013 17849 11920 1 18 . 1 1 29 29 SER N N 29 116.882 116.882 121.263 -4.381 17849 11921 1 18 . 1 1 29 29 SER HA H 29 4.144 4.144 4.082 0.062 17849 11922 1 18 . 1 1 29 29 SER C C 29 176.516 176.516 176.574 -0.058 17849 11923 1 18 . 1 1 29 29 SER CA C 29 62.634 62.634 62.232 0.402 17849 11924 1 18 . 1 1 29 29 SER CB C 29 62.227 62.227 62.726 -0.499 17849 11925 1 18 . 1 1 29 29 SER H H 29 9.604 9.604 9.134 0.470 17849 11926 1 18 . 1 1 30 30 SER N N 30 116.141 116.141 117.460 -1.319 17849 11927 1 18 . 1 1 30 30 SER HA H 30 4.327 4.327 4.129 0.198 17849 11928 1 18 . 1 1 30 30 SER C C 30 177.965 177.965 176.343 1.622 17849 11929 1 18 . 1 1 30 30 SER CA C 30 61.341 61.341 61.400 -0.059 17849 11930 1 18 . 1 1 30 30 SER CB C 30 62.429 62.429 63.032 -0.603 17849 11931 1 18 . 1 1 30 30 SER H H 30 8.184 8.184 7.789 0.395 17849 11932 1 18 . 1 1 31 31 GLU N N 31 124.933 124.933 121.226 3.707 17849 11933 1 18 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.030 0.061 17849 11934 1 18 . 1 1 31 31 GLU C C 31 179.355 179.355 179.083 0.272 17849 11935 1 18 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.975 0.467 17849 11936 1 18 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.413 -0.078 17849 11937 1 18 . 1 1 31 31 GLU H H 31 7.973 7.973 8.411 -0.438 17849 11938 1 18 . 1 1 32 32 LEU N N 32 120.778 120.778 120.567 0.211 17849 11939 1 18 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.221 -0.054 17849 11940 1 18 . 1 1 32 32 LEU C C 32 178.364 178.364 178.022 0.342 17849 11941 1 18 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.773 0.574 17849 11942 1 18 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.951 0.160 17849 11943 1 18 . 1 1 32 32 LEU H H 32 8.616 8.616 8.207 0.409 17849 11944 1 18 . 1 1 33 33 ALA N N 33 120.423 120.423 120.296 0.127 17849 11945 1 18 . 1 1 33 33 ALA HA H 33 3.876 3.876 4.050 -0.174 17849 11946 1 18 . 1 1 33 33 ALA C C 33 179.394 179.394 179.853 -0.459 17849 11947 1 18 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.054 0.734 17849 11948 1 18 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.069 0.449 17849 11949 1 18 . 1 1 33 33 ALA H H 33 8.688 8.688 8.327 0.361 17849 11950 1 18 . 1 1 34 34 THR N N 34 114.299 114.299 113.534 0.765 17849 11951 1 18 . 1 1 34 34 THR HA H 34 3.902 3.902 4.176 -0.274 17849 11952 1 18 . 1 1 34 34 THR C C 34 177.161 177.161 175.392 1.769 17849 11953 1 18 . 1 1 34 34 THR CA C 34 67.173 67.173 65.948 1.225 17849 11954 1 18 . 1 1 34 34 THR CB C 34 68.712 68.712 69.106 -0.394 17849 11955 1 18 . 1 1 34 34 THR H H 34 8.219 8.219 7.778 0.441 17849 11956 1 18 . 1 1 35 35 VAL N N 35 122.638 122.638 120.368 2.270 17849 11957 1 18 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.891 -0.307 17849 11958 1 18 . 1 1 35 35 VAL C C 35 178.403 178.403 177.226 1.177 17849 11959 1 18 . 1 1 35 35 VAL CA C 35 66.884 66.884 64.626 2.259 17849 11960 1 18 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.767 -0.406 17849 11961 1 18 . 1 1 35 35 VAL H H 35 7.791 7.791 7.950 -0.159 17849 11962 1 18 . 1 1 36 36 MET N N 36 117.307 117.307 118.769 -1.462 17849 11963 1 18 . 1 1 36 36 MET HA H 36 3.906 3.906 4.064 -0.158 17849 11964 1 18 . 1 1 36 36 MET C C 36 178.456 178.456 177.978 0.478 17849 11965 1 18 . 1 1 36 36 MET CA C 36 59.787 59.787 58.553 1.234 17849 11966 1 18 . 1 1 36 36 MET CB C 36 32.548 32.548 31.944 0.604 17849 11967 1 18 . 1 1 36 36 MET H H 36 8.308 8.308 8.088 0.220 17849 11968 1 18 . 1 1 37 37 ARG N N 37 118.384 118.384 115.794 2.590 17849 11969 1 18 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.293 0.464 17849 11970 1 18 . 1 1 37 37 ARG C C 37 181.371 181.371 178.093 3.278 17849 11971 1 18 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.465 0.422 17849 11972 1 18 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.379 0.719 17849 11973 1 18 . 1 1 37 37 ARG H H 37 8.634 8.634 7.763 0.871 17849 11974 1 18 . 1 1 38 38 SER N N 38 118.916 118.916 112.429 6.487 17849 11975 1 18 . 1 1 38 38 SER HA H 38 4.339 4.339 4.359 -0.020 17849 11976 1 18 . 1 1 38 38 SER C C 38 174.705 174.705 175.375 -0.670 17849 11977 1 18 . 1 1 38 38 SER CA C 38 61.793 61.793 59.525 2.268 17849 11978 1 18 . 1 1 38 38 SER CB C 38 62.713 62.713 63.435 -0.722 17849 11979 1 18 . 1 1 38 38 SER H H 38 8.226 8.226 7.572 0.654 17849 11980 1 18 . 1 1 39 39 LEU N N 39 119.948 119.948 119.145 0.803 17849 11981 1 18 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.312 -0.016 17849 11982 1 18 . 1 1 39 39 LEU C C 39 176.723 176.723 178.013 -1.290 17849 11983 1 18 . 1 1 39 39 LEU CA C 39 54.560 54.560 56.111 -1.551 17849 11984 1 18 . 1 1 39 39 LEU CB C 39 41.989 41.989 43.064 -1.075 17849 11985 1 18 . 1 1 39 39 LEU H H 39 7.331 7.331 7.656 -0.325 17849 11986 1 18 . 1 1 40 40 GLY N N 40 105.997 105.997 104.471 1.526 17849 11987 1 18 . 1 1 40 40 GLY C C 40 174.405 174.405 172.921 1.484 17849 11988 1 18 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.261 -0.074 17849 11989 1 18 . 1 1 40 40 GLY H H 40 7.889 7.889 8.147 -0.258 17849 11990 1 18 . 1 1 41 41 LEU N N 41 120.071 120.071 116.433 3.638 17849 11991 1 18 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.836 -0.350 17849 11992 1 18 . 1 1 41 41 LEU C C 41 175.829 175.829 173.657 2.172 17849 11993 1 18 . 1 1 41 41 LEU CA C 41 54.187 54.187 55.089 -0.902 17849 11994 1 18 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.957 -1.384 17849 11995 1 18 . 1 1 41 41 LEU H H 41 7.592 7.592 7.661 -0.069 17849 11996 1 18 . 1 1 42 42 SER N N 42 112.869 112.869 116.165 -3.296 17849 11997 1 18 . 1 1 42 42 SER HA H 42 4.797 4.797 4.921 -0.124 17849 11998 1 18 . 1 1 42 42 SER CA C 42 54.960 54.960 55.252 -0.292 17849 11999 1 18 . 1 1 42 42 SER CB C 42 63.177 63.177 64.002 -0.825 17849 12000 1 18 . 1 1 42 42 SER H H 42 8.761 8.761 8.317 0.444 17849 12001 1 18 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.566 0.142 17849 12002 1 18 . 1 1 43 43 PRO C C 43 177.533 177.533 176.201 1.332 17849 12003 1 18 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.415 -0.240 17849 12004 1 18 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.206 -0.332 17849 12005 1 18 . 1 1 44 44 SER N N 44 119.089 119.089 118.165 0.924 17849 12006 1 18 . 1 1 44 44 SER HA H 44 4.574 4.574 4.449 0.125 17849 12007 1 18 . 1 1 44 44 SER C C 44 174.803 174.803 175.907 -1.104 17849 12008 1 18 . 1 1 44 44 SER CA C 44 56.786 56.786 57.986 -1.200 17849 12009 1 18 . 1 1 44 44 SER CB C 44 65.387 65.387 64.225 1.162 17849 12010 1 18 . 1 1 44 44 SER H H 44 9.014 9.014 8.309 0.705 17849 12011 1 18 . 1 1 45 45 GLU N N 45 121.343 121.343 126.524 -5.181 17849 12012 1 18 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.831 0.113 17849 12013 1 18 . 1 1 45 45 GLU C C 45 178.978 178.978 178.365 0.613 17849 12014 1 18 . 1 1 45 45 GLU CA C 45 60.106 60.106 60.540 -0.434 17849 12015 1 18 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.732 -0.429 17849 12016 1 18 . 1 1 45 45 GLU H H 45 8.925 8.925 9.043 -0.118 17849 12017 1 18 . 1 1 46 46 ALA N N 46 120.822 120.822 119.797 1.025 17849 12018 1 18 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.154 -0.008 17849 12019 1 18 . 1 1 46 46 ALA C C 46 179.782 179.782 180.018 -0.236 17849 12020 1 18 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.741 0.345 17849 12021 1 18 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.818 0.438 17849 12022 1 18 . 1 1 46 46 ALA H H 46 8.339 8.339 8.449 -0.110 17849 12023 1 18 . 1 1 47 47 GLU N N 47 118.432 118.432 118.293 0.139 17849 12024 1 18 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.174 -0.100 17849 12025 1 18 . 1 1 47 47 GLU C C 47 180.222 180.222 178.669 1.553 17849 12026 1 18 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.734 0.475 17849 12027 1 18 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.551 0.334 17849 12028 1 18 . 1 1 47 47 GLU H H 47 7.759 7.759 7.859 -0.100 17849 12029 1 18 . 1 1 48 48 VAL N N 48 120.023 120.023 120.744 -0.721 17849 12030 1 18 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.728 -0.230 17849 12031 1 18 . 1 1 48 48 VAL C C 48 177.380 177.380 177.871 -0.491 17849 12032 1 18 . 1 1 48 48 VAL CA C 48 67.258 67.258 65.708 1.550 17849 12033 1 18 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.425 -0.064 17849 12034 1 18 . 1 1 48 48 VAL H H 48 8.174 8.174 8.362 -0.188 17849 12035 1 18 . 1 1 49 49 ASN N N 49 118.475 118.475 118.536 -0.061 17849 12036 1 18 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.283 0.122 17849 12037 1 18 . 1 1 49 49 ASN C C 49 177.352 177.352 176.844 0.508 17849 12038 1 18 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.464 0.246 17849 12039 1 18 . 1 1 49 49 ASN CB C 49 38.270 38.270 37.791 0.479 17849 12040 1 18 . 1 1 49 49 ASN H H 49 8.208 8.208 8.623 -0.415 17849 12041 1 18 . 1 1 50 50 ASP N N 50 120.147 120.147 120.223 -0.076 17849 12042 1 18 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.393 0.089 17849 12043 1 18 . 1 1 50 50 ASP C C 50 178.973 178.973 177.981 0.992 17849 12044 1 18 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.912 0.528 17849 12045 1 18 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.650 -0.470 17849 12046 1 18 . 1 1 50 50 ASP H H 50 8.400 8.400 7.551 0.849 17849 12047 1 18 . 1 1 51 51 LEU N N 51 121.706 121.706 119.821 1.885 17849 12048 1 18 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.146 -0.038 17849 12049 1 18 . 1 1 51 51 LEU C C 51 178.796 178.796 179.121 -0.325 17849 12050 1 18 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.065 1.067 17849 12051 1 18 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.142 -0.252 17849 12052 1 18 . 1 1 51 51 LEU H H 51 7.830 7.830 8.099 -0.269 17849 12053 1 18 . 1 1 52 52 MET N N 52 117.267 117.267 116.891 0.376 17849 12054 1 18 . 1 1 52 52 MET HA H 52 4.145 4.145 4.144 0.001 17849 12055 1 18 . 1 1 52 52 MET C C 52 178.260 178.260 178.483 -0.223 17849 12056 1 18 . 1 1 52 52 MET CA C 52 57.418 57.418 56.677 0.741 17849 12057 1 18 . 1 1 52 52 MET CB C 52 30.089 30.089 31.049 -0.960 17849 12058 1 18 . 1 1 52 52 MET H H 52 8.601 8.601 8.659 -0.058 17849 12059 1 18 . 1 1 53 53 ASN N N 53 115.368 115.368 118.347 -2.979 17849 12060 1 18 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.478 0.095 17849 12061 1 18 . 1 1 53 53 ASN C C 53 176.890 176.890 176.687 0.203 17849 12062 1 18 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.130 -0.798 17849 12063 1 18 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.470 -0.316 17849 12064 1 18 . 1 1 53 53 ASN H H 53 8.239 8.239 8.193 0.046 17849 12065 1 18 . 1 1 54 54 GLU N N 54 117.437 117.437 118.004 -0.567 17849 12066 1 18 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.135 0.115 17849 12067 1 18 . 1 1 54 54 GLU C C 54 177.019 177.019 178.126 -1.107 17849 12068 1 18 . 1 1 54 54 GLU CA C 54 57.687 57.687 57.950 -0.263 17849 12069 1 18 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.845 0.248 17849 12070 1 18 . 1 1 54 54 GLU H H 54 7.625 7.625 7.522 0.103 17849 12071 1 18 . 1 1 55 55 ILE N N 55 117.098 117.098 117.625 -0.527 17849 12072 1 18 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.690 0.211 17849 12073 1 18 . 1 1 55 55 ILE C C 55 176.027 176.027 176.066 -0.039 17849 12074 1 18 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.931 -1.294 17849 12075 1 18 . 1 1 55 55 ILE CB C 55 40.036 40.036 37.923 2.113 17849 12076 1 18 . 1 1 55 55 ILE H H 55 7.496 7.496 7.834 -0.338 17849 12077 1 18 . 1 1 56 56 ASP N N 56 118.367 118.367 118.850 -0.483 17849 12078 1 18 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.622 -0.205 17849 12079 1 18 . 1 1 56 56 ASP C C 56 175.761 175.761 176.076 -0.315 17849 12080 1 18 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.419 -0.012 17849 12081 1 18 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.800 -0.567 17849 12082 1 18 . 1 1 56 56 ASP H H 56 8.329 8.329 7.547 0.782 17849 12083 1 18 . 1 1 57 57 VAL N N 57 126.262 126.262 121.688 4.574 17849 12084 1 18 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.990 0.016 17849 12085 1 18 . 1 1 57 57 VAL C C 57 177.253 177.253 176.566 0.687 17849 12086 1 18 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.581 -0.356 17849 12087 1 18 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.562 0.624 17849 12088 1 18 . 1 1 57 57 VAL H H 57 8.116 8.116 8.482 -0.366 17849 12089 1 18 . 1 1 58 58 ASP N N 58 116.896 116.896 118.943 -2.047 17849 12090 1 18 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.603 -0.031 17849 12091 1 18 . 1 1 58 58 ASP C C 58 177.670 177.670 176.805 0.865 17849 12092 1 18 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.762 0.043 17849 12093 1 18 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.313 -1.320 17849 12094 1 18 . 1 1 58 58 ASP H H 58 8.356 8.356 8.151 0.205 17849 12095 1 18 . 1 1 59 59 GLY N N 59 107.989 107.989 108.753 -0.764 17849 12096 1 18 . 1 1 59 59 GLY C C 59 174.661 174.661 174.615 0.046 17849 12097 1 18 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.374 1.705 17849 12098 1 18 . 1 1 59 59 GLY H H 59 7.622 7.622 8.163 -0.541 17849 12099 1 18 . 1 1 60 60 ASN N N 60 118.703 118.703 118.858 -0.155 17849 12100 1 18 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.410 0.132 17849 12101 1 18 . 1 1 60 60 ASN C C 60 175.787 175.787 174.364 1.423 17849 12102 1 18 . 1 1 60 60 ASN CA C 60 52.283 52.283 51.927 0.356 17849 12103 1 18 . 1 1 60 60 ASN CB C 60 37.184 37.184 39.398 -2.214 17849 12104 1 18 . 1 1 60 60 ASN H H 60 8.096 8.096 8.165 -0.069 17849 12105 1 18 . 1 1 61 61 HIS N N 61 117.475 117.475 114.885 2.590 17849 12106 1 18 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.428 -0.560 17849 12107 1 18 . 1 1 61 61 HIS C C 61 172.407 172.407 173.672 -1.265 17849 12108 1 18 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.750 -0.322 17849 12109 1 18 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.493 0.480 17849 12110 1 18 . 1 1 61 61 HIS H H 61 9.998 9.998 8.732 1.266 17849 12111 1 18 . 1 1 62 62 GLN N N 62 112.629 112.629 116.087 -3.458 17849 12112 1 18 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.269 -0.460 17849 12113 1 18 . 1 1 62 62 GLN C C 62 174.654 174.654 174.732 -0.078 17849 12114 1 18 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.587 -0.779 17849 12115 1 18 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.702 -0.577 17849 12116 1 18 . 1 1 62 62 GLN H H 62 7.541 7.541 8.770 -1.229 17849 12117 1 18 . 1 1 63 63 ILE N N 63 123.800 123.800 124.785 -0.985 17849 12118 1 18 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.578 0.468 17849 12119 1 18 . 1 1 63 63 ILE C C 63 176.626 176.626 176.035 0.591 17849 12120 1 18 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.761 1.133 17849 12121 1 18 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.772 1.408 17849 12122 1 18 . 1 1 63 63 ILE H H 63 9.312 9.312 8.762 0.550 17849 12123 1 18 . 1 1 64 64 GLU N N 64 128.941 128.941 126.090 2.851 17849 12124 1 18 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.761 0.215 17849 12125 1 18 . 1 1 64 64 GLU C C 64 178.001 178.001 177.640 0.361 17849 12126 1 18 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.615 3.105 17849 12127 1 18 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.868 -1.641 17849 12128 1 18 . 1 1 64 64 GLU H H 64 8.846 8.846 7.825 1.021 17849 12129 1 18 . 1 1 65 65 PHE N N 65 124.119 124.119 123.172 0.947 17849 12130 1 18 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.238 -0.712 17849 12131 1 18 . 1 1 65 65 PHE C C 65 176.981 176.981 176.717 0.264 17849 12132 1 18 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.614 0.650 17849 12133 1 18 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.053 -1.228 17849 12134 1 18 . 1 1 65 65 PHE H H 65 9.488 9.488 9.041 0.447 17849 12135 1 18 . 1 1 66 66 SER N N 66 112.445 112.445 113.941 -1.496 17849 12136 1 18 . 1 1 66 66 SER HA H 66 3.667 3.667 4.380 -0.713 17849 12137 1 18 . 1 1 66 66 SER C C 66 177.385 177.385 176.425 0.960 17849 12138 1 18 . 1 1 66 66 SER CA C 66 61.503 61.503 61.034 0.469 17849 12139 1 18 . 1 1 66 66 SER CB C 66 61.285 61.285 62.990 -1.705 17849 12140 1 18 . 1 1 66 66 SER H H 66 8.972 8.972 8.274 0.698 17849 12141 1 18 . 1 1 67 67 GLU N N 67 122.775 122.775 123.706 -0.931 17849 12142 1 18 . 1 1 67 67 GLU HA H 67 4.120 4.120 3.996 0.124 17849 12143 1 18 . 1 1 67 67 GLU C C 67 178.567 178.567 178.716 -0.149 17849 12144 1 18 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.450 -1.607 17849 12145 1 18 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.362 -0.113 17849 12146 1 18 . 1 1 67 67 GLU H H 67 6.799 6.799 7.473 -0.674 17849 12147 1 18 . 1 1 68 68 PHE N N 68 123.231 123.231 118.774 4.457 17849 12148 1 18 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.108 -0.277 17849 12149 1 18 . 1 1 68 68 PHE C C 68 175.936 175.936 176.460 -0.524 17849 12150 1 18 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.434 -0.318 17849 12151 1 18 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.150 1.065 17849 12152 1 18 . 1 1 68 68 PHE H H 68 8.176 8.176 8.642 -0.466 17849 12153 1 18 . 1 1 69 69 LEU N N 69 118.554 118.554 116.036 2.518 17849 12154 1 18 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.992 -0.826 17849 12155 1 18 . 1 1 69 69 LEU C C 69 179.074 179.074 178.735 0.339 17849 12156 1 18 . 1 1 69 69 LEU CA C 69 57.132 57.132 56.643 0.489 17849 12157 1 18 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.795 -0.529 17849 12158 1 18 . 1 1 69 69 LEU H H 69 8.626 8.626 7.620 1.006 17849 12159 1 18 . 1 1 70 70 ALA N N 70 120.878 120.878 123.088 -2.210 17849 12160 1 18 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.237 -0.352 17849 12161 1 18 . 1 1 70 70 ALA C C 70 179.914 179.914 180.137 -0.223 17849 12162 1 18 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.387 0.583 17849 12163 1 18 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.296 -0.519 17849 12164 1 18 . 1 1 70 70 ALA H H 70 7.322 7.322 7.370 -0.048 17849 12165 1 18 . 1 1 71 71 LEU N N 71 118.871 118.871 117.530 1.341 17849 12166 1 18 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.813 0.115 17849 12167 1 18 . 1 1 71 71 LEU C C 71 178.009 178.009 177.584 0.425 17849 12168 1 18 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.053 0.691 17849 12169 1 18 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.504 -0.092 17849 12170 1 18 . 1 1 71 71 LEU H H 71 7.219 7.219 7.805 -0.586 17849 12171 1 18 . 1 1 72 72 MET N N 72 113.480 113.480 111.710 1.770 17849 12172 1 18 . 1 1 72 72 MET HA H 72 4.165 4.165 4.634 -0.469 17849 12173 1 18 . 1 1 72 72 MET CA C 72 55.413 55.413 55.854 -0.441 17849 12174 1 18 . 1 1 72 72 MET CB C 72 31.199 31.199 34.128 -2.929 17849 12175 1 18 . 1 1 72 72 MET H H 72 7.486 7.486 7.597 -0.111 17849 12176 1 18 . 1 1 73 73 SER HA H 73 4.337 4.337 4.775 -0.438 17849 12177 1 18 . 1 1 73 73 SER C C 73 174.241 174.241 175.228 -0.987 17849 12178 1 18 . 1 1 73 73 SER CA C 73 59.132 59.132 57.760 1.372 17849 12179 1 18 . 1 1 73 73 SER CB C 73 63.649 63.649 64.437 -0.788 17849 12180 1 18 . 1 1 73 73 SER H H 73 7.699 7.699 7.753 -0.054 17849 12181 1 18 . 1 1 74 74 ARG N N 74 121.213 121.213 119.278 1.935 17849 12182 1 18 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.419 -0.208 17849 12183 1 18 . 1 1 74 74 ARG C C 74 175.638 175.638 175.140 0.498 17849 12184 1 18 . 1 1 74 74 ARG CA C 74 56.850 56.850 56.652 0.198 17849 12185 1 18 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.465 0.207 17849 12186 1 18 . 1 1 74 74 ARG H H 74 7.400 7.400 7.344 0.056 17849 12187 1 18 . 1 1 75 75 GLN N N 75 118.914 118.914 117.108 1.806 17849 12188 1 18 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.922 0.393 17849 12189 1 18 . 1 1 75 75 GLN H H 75 8.090 8.090 7.895 0.195 17849 12190 1 18 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.470 -0.083 17849 12191 1 18 . 1 1 77 77 LYS C C 77 176.410 176.410 174.827 1.583 17849 12192 1 18 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.230 0.812 17849 12193 1 18 . 1 1 77 77 LYS CB C 77 33.157 33.157 35.726 -2.569 17849 12194 1 18 . 1 1 78 78 SER N N 78 116.257 116.257 117.887 -1.630 17849 12195 1 18 . 1 1 78 78 SER HA H 78 4.422 4.422 4.216 0.206 17849 12196 1 18 . 1 1 78 78 SER C C 78 174.436 174.436 174.275 0.161 17849 12197 1 18 . 1 1 78 78 SER CA C 78 58.366 58.366 59.363 -0.997 17849 12198 1 18 . 1 1 78 78 SER CB C 78 63.855 63.855 63.060 0.795 17849 12199 1 18 . 1 1 78 78 SER H H 78 8.332 8.332 8.433 -0.101 17849 12200 1 18 . 1 1 79 79 ASN N N 79 120.267 120.267 124.526 -4.259 17849 12201 1 18 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.764 -0.037 17849 12202 1 18 . 1 1 79 79 ASN C C 79 174.966 174.966 174.966 0.000 17849 12203 1 18 . 1 1 79 79 ASN CA C 79 53.467 53.467 52.802 0.665 17849 12204 1 18 . 1 1 79 79 ASN CB C 79 38.869 38.869 39.874 -1.005 17849 12205 1 18 . 1 1 79 79 ASN H H 79 8.548 8.548 7.932 0.616 17849 12206 1 18 . 1 1 80 80 ASP N N 80 119.659 119.659 120.330 -0.671 17849 12207 1 18 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.629 -0.012 17849 12208 1 18 . 1 1 80 80 ASP C C 80 176.412 176.412 175.748 0.664 17849 12209 1 18 . 1 1 80 80 ASP CA C 80 54.710 54.710 53.724 0.986 17849 12210 1 18 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.016 2.207 17849 12211 1 18 . 1 1 80 80 ASP H H 80 8.325 8.325 8.687 -0.362 17849 12212 1 18 . 1 1 81 81 SER N N 81 115.425 115.425 113.097 2.328 17849 12213 1 18 . 1 1 81 81 SER HA H 81 4.414 4.414 3.978 0.436 17849 12214 1 18 . 1 1 81 81 SER C C 81 174.733 174.733 173.248 1.485 17849 12215 1 18 . 1 1 81 81 SER CA C 81 59.183 59.183 59.473 -0.290 17849 12216 1 18 . 1 1 81 81 SER CB C 81 63.784 63.784 62.839 0.945 17849 12217 1 18 . 1 1 81 81 SER H H 81 8.256 8.256 7.996 0.260 17849 12218 1 18 . 1 1 82 82 GLU N N 82 121.456 121.456 119.615 1.841 17849 12219 1 18 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.197 0.126 17849 12220 1 18 . 1 1 82 82 GLU C C 82 176.385 176.385 176.228 0.157 17849 12221 1 18 . 1 1 82 82 GLU CA C 82 56.728 56.728 56.956 -0.228 17849 12222 1 18 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.271 0.601 17849 12223 1 18 . 1 1 82 82 GLU H H 82 8.375 8.375 8.197 0.178 17849 12224 1 18 . 1 1 83 83 GLN N N 83 120.069 120.069 124.349 -4.280 17849 12225 1 18 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.522 -0.217 17849 12226 1 18 . 1 1 83 83 GLN C C 83 176.054 176.054 175.814 0.240 17849 12227 1 18 . 1 1 83 83 GLN CA C 83 56.147 56.147 55.892 0.255 17849 12228 1 18 . 1 1 83 83 GLN CB C 83 29.303 29.303 30.031 -0.728 17849 12229 1 18 . 1 1 83 83 GLN H H 83 8.233 8.233 8.648 -0.415 17849 12230 1 18 . 1 1 84 84 GLU N N 84 122.390 122.390 121.552 0.838 17849 12231 1 18 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.321 -0.030 17849 12232 1 18 . 1 1 84 84 GLU C C 84 177.528 177.528 178.228 -0.700 17849 12233 1 18 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.908 -1.710 17849 12234 1 18 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.735 0.378 17849 12235 1 18 . 1 1 84 84 GLU H H 84 8.567 8.567 8.113 0.454 17849 12236 1 18 . 1 1 85 85 LEU N N 85 122.788 122.788 119.705 3.083 17849 12237 1 18 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.083 0.112 17849 12238 1 18 . 1 1 85 85 LEU CA C 85 56.517 56.517 57.909 -1.392 17849 12239 1 18 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.161 1.255 17849 12240 1 18 . 1 1 85 85 LEU H H 85 8.434 8.434 8.165 0.269 17849 12241 1 18 . 1 1 86 86 LEU N N 86 119.558 119.558 116.619 2.939 17849 12242 1 18 . 1 1 86 86 LEU HA H 86 4.157 4.157 3.968 0.189 17849 12243 1 18 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.284 -1.165 17849 12244 1 18 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.116 0.442 17849 12245 1 18 . 1 1 86 86 LEU H H 86 8.037 8.037 8.292 -0.255 17849 12246 1 18 . 1 1 87 87 GLU N N 87 121.323 121.323 118.639 2.684 17849 12247 1 18 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.093 -0.170 17849 12248 1 18 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.035 0.512 17849 12249 1 18 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.774 -0.431 17849 12250 1 18 . 1 1 87 87 GLU H H 87 8.192 8.192 7.563 0.629 17849 12251 1 18 . 1 1 88 88 ALA N N 88 119.942 119.942 122.630 -2.688 17849 12252 1 18 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.361 -0.285 17849 12253 1 18 . 1 1 88 88 ALA C C 88 178.281 178.281 179.412 -1.131 17849 12254 1 18 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.404 0.077 17849 12255 1 18 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.812 -0.002 17849 12256 1 18 . 1 1 88 88 ALA H H 88 8.363 8.363 7.625 0.738 17849 12257 1 18 . 1 1 89 89 PHE N N 89 111.807 111.807 115.337 -3.530 17849 12258 1 18 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.180 0.309 17849 12259 1 18 . 1 1 89 89 PHE C C 89 176.632 176.632 175.994 0.638 17849 12260 1 18 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.594 0.884 17849 12261 1 18 . 1 1 89 89 PHE CB C 89 38.642 38.642 37.955 0.687 17849 12262 1 18 . 1 1 89 89 PHE H H 89 7.855 7.855 8.382 -0.527 17849 12263 1 18 . 1 1 90 90 LYS N N 90 120.375 120.375 120.772 -0.397 17849 12264 1 18 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.251 -0.253 17849 12265 1 18 . 1 1 90 90 LYS C C 90 178.490 178.490 178.090 0.400 17849 12266 1 18 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.553 2.441 17849 12267 1 18 . 1 1 90 90 LYS CB C 90 31.914 31.914 33.202 -1.288 17849 12268 1 18 . 1 1 90 90 LYS H H 90 7.957 7.957 7.697 0.260 17849 12269 1 18 . 1 1 91 91 VAL N N 91 116.643 116.643 121.733 -5.090 17849 12270 1 18 . 1 1 91 91 VAL HA H 91 3.874 3.874 4.008 -0.134 17849 12271 1 18 . 1 1 91 91 VAL C C 91 175.413 175.413 176.993 -1.580 17849 12272 1 18 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.308 -1.615 17849 12273 1 18 . 1 1 91 91 VAL CB C 91 31.234 31.234 30.994 0.240 17849 12274 1 18 . 1 1 91 91 VAL H H 91 7.389 7.389 7.665 -0.276 17849 12275 1 18 . 1 1 92 92 PHE N N 92 115.769 115.769 113.021 2.748 17849 12276 1 18 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.244 0.276 17849 12277 1 18 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.244 0.931 17849 12278 1 18 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.555 1.679 17849 12279 1 18 . 1 1 92 92 PHE H H 92 7.534 7.534 8.212 -0.678 17849 12280 1 18 . 1 1 93 93 ASP N N 93 115.397 115.397 118.288 -2.891 17849 12281 1 18 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.030 -0.172 17849 12282 1 18 . 1 1 93 93 ASP C C 93 177.421 177.421 176.808 0.613 17849 12283 1 18 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.334 -0.868 17849 12284 1 18 . 1 1 93 93 ASP CB C 93 38.980 38.980 41.298 -2.318 17849 12285 1 18 . 1 1 93 93 ASP H H 93 7.543 7.543 7.990 -0.447 17849 12286 1 18 . 1 1 94 94 LYS N N 94 125.591 125.591 124.548 1.043 17849 12287 1 18 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.269 -0.190 17849 12288 1 18 . 1 1 94 94 LYS C C 94 177.856 177.856 177.877 -0.021 17849 12289 1 18 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.371 0.559 17849 12290 1 18 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.932 -0.538 17849 12291 1 18 . 1 1 94 94 LYS H H 94 7.873 7.873 8.521 -0.648 17849 12292 1 18 . 1 1 95 95 ASN N N 95 112.796 112.796 115.608 -2.812 17849 12293 1 18 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.561 0.236 17849 12294 1 18 . 1 1 95 95 ASN C C 95 176.619 176.619 176.075 0.544 17849 12295 1 18 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.789 -1.879 17849 12296 1 18 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.392 -1.116 17849 12297 1 18 . 1 1 95 95 ASN H H 95 8.272 8.272 7.948 0.324 17849 12298 1 18 . 1 1 96 96 GLY N N 96 109.132 109.132 109.350 -0.218 17849 12299 1 18 . 1 1 96 96 GLY C C 96 174.799 174.799 174.280 0.519 17849 12300 1 18 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.099 1.472 17849 12301 1 18 . 1 1 96 96 GLY H H 96 7.654 7.654 8.133 -0.479 17849 12302 1 18 . 1 1 97 97 ASP N N 97 118.796 118.796 120.702 -1.906 17849 12303 1 18 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.576 -0.046 17849 12304 1 18 . 1 1 97 97 ASP C C 97 177.137 177.137 177.678 -0.541 17849 12305 1 18 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.505 -0.113 17849 12306 1 18 . 1 1 97 97 ASP CB C 97 40.389 40.389 42.012 -1.623 17849 12307 1 18 . 1 1 97 97 ASP H H 97 8.090 8.090 7.994 0.096 17849 12308 1 18 . 1 1 98 98 GLY N N 98 112.962 112.962 107.579 5.383 17849 12309 1 18 . 1 1 98 98 GLY C C 98 172.142 172.142 173.477 -1.335 17849 12310 1 18 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.134 0.590 17849 12311 1 18 . 1 1 98 98 GLY H H 98 10.329 10.329 7.914 2.415 17849 12312 1 18 . 1 1 99 99 LEU N N 99 119.691 119.691 119.140 0.551 17849 12313 1 18 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.756 0.006 17849 12314 1 18 . 1 1 99 99 LEU C C 99 176.162 176.162 174.546 1.616 17849 12315 1 18 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.562 -1.738 17849 12316 1 18 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.119 -0.337 17849 12317 1 18 . 1 1 99 99 LEU H H 99 8.000 8.000 7.742 0.258 17849 12318 1 18 . 1 1 100 100 ILE N N 100 127.464 127.464 118.597 8.867 17849 12319 1 18 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.702 -0.028 17849 12320 1 18 . 1 1 100 100 ILE C C 100 175.006 175.006 175.177 -0.171 17849 12321 1 18 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.867 0.553 17849 12322 1 18 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.767 -2.956 17849 12323 1 18 . 1 1 100 100 ILE H H 100 9.491 9.491 8.157 1.334 17849 12324 1 18 . 1 1 101 101 SER N N 101 123.104 123.104 119.102 4.002 17849 12325 1 18 . 1 1 101 101 SER HA H 101 4.770 4.770 4.814 -0.044 17849 12326 1 18 . 1 1 101 101 SER C C 101 174.847 174.847 174.594 0.253 17849 12327 1 18 . 1 1 101 101 SER CA C 101 55.854 55.854 56.611 -0.757 17849 12328 1 18 . 1 1 101 101 SER CB C 101 65.994 65.994 65.319 0.675 17849 12329 1 18 . 1 1 101 101 SER H H 101 9.058 9.058 8.198 0.860 17849 12330 1 18 . 1 1 102 102 ALA N N 102 124.316 124.316 124.209 0.107 17849 12331 1 18 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.257 -0.641 17849 12332 1 18 . 1 1 102 102 ALA C C 102 179.388 179.388 178.818 0.570 17849 12333 1 18 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.667 1.057 17849 12334 1 18 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.663 -0.348 17849 12335 1 18 . 1 1 102 102 ALA H H 102 8.587 8.587 8.672 -0.085 17849 12336 1 18 . 1 1 103 103 ALA N N 103 118.346 118.346 120.924 -2.578 17849 12337 1 18 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.813 0.187 17849 12338 1 18 . 1 1 103 103 ALA C C 103 181.188 181.188 179.121 2.067 17849 12339 1 18 . 1 1 103 103 ALA CA C 103 55.058 55.058 55.051 0.007 17849 12340 1 18 . 1 1 103 103 ALA CB C 103 18.389 18.389 17.713 0.676 17849 12341 1 18 . 1 1 103 103 ALA H H 103 8.266 8.266 8.558 -0.292 17849 12342 1 18 . 1 1 104 104 GLU N N 104 120.568 120.568 117.818 2.750 17849 12343 1 18 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.175 -0.119 17849 12344 1 18 . 1 1 104 104 GLU C C 104 178.762 178.762 178.533 0.229 17849 12345 1 18 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.854 1.114 17849 12346 1 18 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.640 -0.729 17849 12347 1 18 . 1 1 104 104 GLU H H 104 7.928 7.928 8.322 -0.394 17849 12348 1 18 . 1 1 105 105 LEU N N 105 117.903 117.903 120.299 -2.396 17849 12349 1 18 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.260 -0.231 17849 12350 1 18 . 1 1 105 105 LEU C C 105 178.497 178.497 178.329 0.168 17849 12351 1 18 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.185 1.268 17849 12352 1 18 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.445 0.747 17849 12353 1 18 . 1 1 105 105 LEU H H 105 7.926 7.926 7.998 -0.072 17849 12354 1 18 . 1 1 106 106 LYS N N 106 115.836 115.836 117.315 -1.479 17849 12355 1 18 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.200 -0.401 17849 12356 1 18 . 1 1 106 106 LYS C C 106 179.102 179.102 177.540 1.562 17849 12357 1 18 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.305 1.867 17849 12358 1 18 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.848 -0.238 17849 12359 1 18 . 1 1 106 106 LYS H H 106 8.337 8.337 8.153 0.184 17849 12360 1 18 . 1 1 107 107 HIS N N 107 119.620 119.620 117.904 1.716 17849 12361 1 18 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.466 -0.212 17849 12362 1 18 . 1 1 107 107 HIS C C 107 178.167 178.167 177.156 1.011 17849 12363 1 18 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.740 1.188 17849 12364 1 18 . 1 1 107 107 HIS CB C 107 30.584 30.584 31.623 -1.039 17849 12365 1 18 . 1 1 107 107 HIS H H 107 8.502 8.502 8.069 0.433 17849 12366 1 18 . 1 1 108 108 VAL N N 108 118.595 118.595 120.372 -1.777 17849 12367 1 18 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.617 0.039 17849 12368 1 18 . 1 1 108 108 VAL C C 108 178.608 178.608 176.416 2.192 17849 12369 1 18 . 1 1 108 108 VAL CA C 108 66.356 66.356 63.499 2.857 17849 12370 1 18 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.256 1.059 17849 12371 1 18 . 1 1 108 108 VAL H H 108 8.348 8.348 8.016 0.332 17849 12372 1 18 . 1 1 109 109 LEU N N 109 116.755 116.755 118.174 -1.419 17849 12373 1 18 . 1 1 109 109 LEU HA H 109 4.144 4.144 3.670 0.474 17849 12374 1 18 . 1 1 109 109 LEU C C 109 179.267 179.267 177.732 1.535 17849 12375 1 18 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.577 -0.123 17849 12376 1 18 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.634 0.469 17849 12377 1 18 . 1 1 109 109 LEU H H 109 8.251 8.251 7.428 0.823 17849 12378 1 18 . 1 1 110 110 THR N N 110 111.046 111.046 109.028 2.018 17849 12379 1 18 . 1 1 110 110 THR HA H 110 4.256 4.256 4.183 0.073 17849 12380 1 18 . 1 1 110 110 THR C C 110 175.897 175.897 174.919 0.978 17849 12381 1 18 . 1 1 110 110 THR CA C 110 64.465 64.465 63.499 0.965 17849 12382 1 18 . 1 1 110 110 THR CB C 110 69.431 69.431 69.453 -0.022 17849 12383 1 18 . 1 1 110 110 THR H H 110 8.085 8.085 7.179 0.906 17849 12384 1 18 . 1 1 111 111 SER N N 111 117.074 117.074 116.745 0.329 17849 12385 1 18 . 1 1 111 111 SER HA H 111 4.406 4.406 4.189 0.217 17849 12386 1 18 . 1 1 111 111 SER C C 111 175.051 175.051 175.218 -0.167 17849 12387 1 18 . 1 1 111 111 SER CA C 111 59.968 59.968 59.624 0.344 17849 12388 1 18 . 1 1 111 111 SER CB C 111 63.391 63.391 63.369 0.022 17849 12389 1 18 . 1 1 111 111 SER H H 111 7.681 7.681 7.221 0.460 17849 12390 1 18 . 1 1 112 112 ILE N N 112 119.783 119.783 120.049 -0.266 17849 12391 1 18 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.854 0.237 17849 12392 1 18 . 1 1 112 112 ILE C C 112 177.040 177.040 176.609 0.431 17849 12393 1 18 . 1 1 112 112 ILE CA C 112 62.524 62.524 63.773 -1.249 17849 12394 1 18 . 1 1 112 112 ILE CB C 112 38.344 38.344 38.394 -0.050 17849 12395 1 18 . 1 1 112 112 ILE H H 112 7.444 7.444 7.555 -0.111 17849 12396 1 18 . 1 1 113 113 GLY N N 113 110.432 110.432 111.297 -0.865 17849 12397 1 18 . 1 1 113 113 GLY C C 113 174.442 174.442 174.804 -0.362 17849 12398 1 18 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.752 0.891 17849 12399 1 18 . 1 1 113 113 GLY H H 113 8.148 8.148 8.454 -0.306 17849 12400 1 18 . 1 1 114 114 GLU N N 114 120.374 120.374 120.536 -0.162 17849 12401 1 18 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.205 0.061 17849 12402 1 18 . 1 1 114 114 GLU C C 114 176.556 176.556 177.213 -0.657 17849 12403 1 18 . 1 1 114 114 GLU CA C 114 56.773 56.773 57.082 -0.309 17849 12404 1 18 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.187 0.103 17849 12405 1 18 . 1 1 114 114 GLU H H 114 8.092 8.092 8.241 -0.149 17849 12406 1 18 . 1 1 115 115 LYS N N 115 121.383 121.383 118.128 3.255 17849 12407 1 18 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.178 0.157 17849 12408 1 18 . 1 1 115 115 LYS C C 115 176.654 176.654 176.050 0.604 17849 12409 1 18 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.830 -0.531 17849 12410 1 18 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.274 0.565 17849 12411 1 18 . 1 1 115 115 LYS H H 115 8.221 8.221 8.583 -0.362 17849 12412 1 18 . 1 1 116 116 LEU N N 116 123.146 123.146 111.450 11.696 17849 12413 1 18 . 1 1 116 116 LEU HA H 116 4.421 4.421 3.944 0.477 17849 12414 1 18 . 1 1 116 116 LEU C C 116 177.677 177.677 175.613 2.064 17849 12415 1 18 . 1 1 116 116 LEU CA C 116 55.320 55.320 55.338 -0.018 17849 12416 1 18 . 1 1 116 116 LEU CB C 116 42.309 42.309 39.483 2.826 17849 12417 1 18 . 1 1 116 116 LEU H H 116 8.265 8.265 7.776 0.489 17849 12418 1 18 . 1 1 117 117 THR N N 117 113.859 113.859 109.227 4.632 17849 12419 1 18 . 1 1 117 117 THR HA H 117 4.337 4.337 4.417 -0.080 17849 12420 1 18 . 1 1 117 117 THR C C 117 174.535 174.535 173.899 0.636 17849 12421 1 18 . 1 1 117 117 THR CA C 117 61.824 61.824 61.122 0.702 17849 12422 1 18 . 1 1 117 117 THR CB C 117 70.096 70.096 70.716 -0.620 17849 12423 1 18 . 1 1 117 117 THR H H 117 8.182 8.182 7.586 0.596 17849 12424 1 18 . 1 1 118 118 ASP N N 118 122.049 122.049 123.380 -1.331 17849 12425 1 18 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.872 -0.339 17849 12426 1 18 . 1 1 118 118 ASP C C 118 176.728 176.728 177.635 -0.907 17849 12427 1 18 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.895 -0.677 17849 12428 1 18 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.912 -0.060 17849 12429 1 18 . 1 1 118 118 ASP H H 118 8.367 8.367 8.731 -0.364 17849 12430 1 18 . 1 1 119 119 ALA N N 119 123.432 123.432 121.466 1.966 17849 12431 1 18 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.207 0.012 17849 12432 1 18 . 1 1 119 119 ALA C C 119 178.486 178.486 177.522 0.964 17849 12433 1 18 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.394 0.039 17849 12434 1 18 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.050 1.025 17849 12435 1 18 . 1 1 119 119 ALA H H 119 8.206 8.206 7.821 0.385 17849 12436 1 18 . 1 1 120 120 GLU N N 120 118.592 118.592 117.098 1.494 17849 12437 1 18 . 1 1 120 120 GLU HA H 120 4.182 4.182 3.944 0.238 17849 12438 1 18 . 1 1 120 120 GLU C C 120 177.133 177.133 177.481 -0.348 17849 12439 1 18 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.575 -1.470 17849 12440 1 18 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.086 0.966 17849 12441 1 18 . 1 1 120 120 GLU H H 120 8.187 8.187 8.426 -0.239 17849 12442 1 18 . 1 1 121 121 LEU N N 121 121.427 121.427 112.625 8.802 17849 12443 1 18 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.543 -0.339 17849 12444 1 18 . 1 1 121 121 LEU C C 121 177.710 177.710 177.662 0.048 17849 12445 1 18 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.331 0.420 17849 12446 1 18 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.995 -0.737 17849 12447 1 18 . 1 1 121 121 LEU H H 121 8.020 8.020 7.272 0.748 17849 12448 1 18 . 1 1 122 122 GLU N N 122 119.850 119.850 119.588 0.262 17849 12449 1 18 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.372 -0.245 17849 12450 1 18 . 1 1 122 122 GLU C C 122 176.518 176.518 175.432 1.086 17849 12451 1 18 . 1 1 122 122 GLU CA C 122 57.014 57.014 55.906 1.108 17849 12452 1 18 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.203 0.853 17849 12453 1 18 . 1 1 122 122 GLU H H 122 8.118 8.118 8.052 0.066 17849 12454 1 18 . 1 1 123 123 HIS N N 123 118.817 118.817 116.544 2.273 17849 12455 1 18 . 1 1 123 123 HIS CA C 123 56.259 56.259 54.410 1.849 17849 12456 1 18 . 1 1 123 123 HIS H H 123 8.106 8.106 7.797 0.309 17849 12457 1 19 . 1 1 2 2 SER HA H 2 4.507 4.507 4.418 0.089 17849 12458 1 19 . 1 1 2 2 SER CA C 2 58.342 58.342 59.252 -0.910 17849 12459 1 19 . 1 1 2 2 SER CB C 2 63.883 63.883 63.644 0.239 17849 12460 1 19 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.846 -0.082 17849 12461 1 19 . 1 1 3 3 ASN C C 3 174.784 174.784 173.518 1.266 17849 12462 1 19 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.524 0.601 17849 12463 1 19 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.668 -1.775 17849 12464 1 19 . 1 1 4 4 LEU N N 4 121.466 121.466 120.606 0.860 17849 12465 1 19 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.633 0.067 17849 12466 1 19 . 1 1 4 4 LEU C C 4 177.665 177.665 176.806 0.859 17849 12467 1 19 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.692 -1.180 17849 12468 1 19 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.376 1.263 17849 12469 1 19 . 1 1 4 4 LEU H H 4 8.097 8.097 8.700 -0.603 17849 12470 1 19 . 1 1 5 5 THR N N 5 112.990 112.990 113.900 -0.910 17849 12471 1 19 . 1 1 5 5 THR HA H 5 4.481 4.481 4.652 -0.171 17849 12472 1 19 . 1 1 5 5 THR C C 5 175.474 175.474 175.220 0.254 17849 12473 1 19 . 1 1 5 5 THR CA C 5 60.528 60.528 59.645 0.883 17849 12474 1 19 . 1 1 5 5 THR CB C 5 71.244 71.244 71.662 -0.418 17849 12475 1 19 . 1 1 5 5 THR H H 5 8.778 8.778 7.747 1.031 17849 12476 1 19 . 1 1 6 6 GLU N N 6 120.343 120.343 121.019 -0.676 17849 12477 1 19 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.904 0.098 17849 12478 1 19 . 1 1 6 6 GLU C C 6 179.568 179.568 178.488 1.080 17849 12479 1 19 . 1 1 6 6 GLU CA C 6 60.176 60.176 59.885 0.291 17849 12480 1 19 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.209 0.016 17849 12481 1 19 . 1 1 6 6 GLU H H 6 9.078 9.078 9.019 0.059 17849 12482 1 19 . 1 1 7 7 GLU N N 7 119.544 119.544 119.856 -0.312 17849 12483 1 19 . 1 1 7 7 GLU HA H 7 4.111 4.111 4.020 0.091 17849 12484 1 19 . 1 1 7 7 GLU C C 7 179.170 179.170 179.008 0.162 17849 12485 1 19 . 1 1 7 7 GLU CA C 7 60.037 60.037 58.961 1.076 17849 12486 1 19 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.296 -0.179 17849 12487 1 19 . 1 1 7 7 GLU H H 7 8.820 8.820 7.668 1.152 17849 12488 1 19 . 1 1 8 8 GLN N N 8 119.824 119.824 118.627 1.197 17849 12489 1 19 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.699 0.465 17849 12490 1 19 . 1 1 8 8 GLN C C 8 179.652 179.652 178.271 1.381 17849 12491 1 19 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.370 0.382 17849 12492 1 19 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.375 1.364 17849 12493 1 19 . 1 1 8 8 GLN H H 8 7.812 7.812 7.309 0.503 17849 12494 1 19 . 1 1 9 9 ILE N N 9 120.978 120.978 120.098 0.880 17849 12495 1 19 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.784 0.068 17849 12496 1 19 . 1 1 9 9 ILE C C 9 177.899 177.899 178.135 -0.236 17849 12497 1 19 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.867 0.709 17849 12498 1 19 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.485 0.504 17849 12499 1 19 . 1 1 9 9 ILE H H 9 8.634 8.634 8.407 0.227 17849 12500 1 19 . 1 1 10 10 ALA N N 10 121.528 121.528 120.833 0.695 17849 12501 1 19 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.037 0.069 17849 12502 1 19 . 1 1 10 10 ALA C C 10 180.886 180.886 179.806 1.080 17849 12503 1 19 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.534 -0.116 17849 12504 1 19 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.861 -0.086 17849 12505 1 19 . 1 1 10 10 ALA H H 10 8.142 8.142 7.838 0.304 17849 12506 1 19 . 1 1 11 11 GLU N N 11 118.807 118.807 119.096 -0.289 17849 12507 1 19 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.064 0.150 17849 12508 1 19 . 1 1 11 11 GLU C C 11 180.292 180.292 179.251 1.041 17849 12509 1 19 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.137 0.227 17849 12510 1 19 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.247 0.541 17849 12511 1 19 . 1 1 11 11 GLU H H 11 7.810 7.810 7.487 0.323 17849 12512 1 19 . 1 1 12 12 PHE N N 12 118.671 118.671 119.210 -0.539 17849 12513 1 19 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.349 0.298 17849 12514 1 19 . 1 1 12 12 PHE C C 12 179.032 179.032 178.261 0.771 17849 12515 1 19 . 1 1 12 12 PHE CA C 12 63.160 63.160 60.093 3.067 17849 12516 1 19 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.770 1.245 17849 12517 1 19 . 1 1 12 12 PHE H H 12 8.432 8.432 8.391 0.041 17849 12518 1 19 . 1 1 13 13 LYS N N 13 123.536 123.536 118.421 5.115 17849 12519 1 19 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.227 -0.387 17849 12520 1 19 . 1 1 13 13 LYS C C 13 179.114 179.114 179.435 -0.321 17849 12521 1 19 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.081 0.007 17849 12522 1 19 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.234 -0.582 17849 12523 1 19 . 1 1 13 13 LYS H H 13 8.981 8.981 8.816 0.165 17849 12524 1 19 . 1 1 14 14 GLU N N 14 119.691 119.691 119.182 0.509 17849 12525 1 19 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.396 -0.299 17849 12526 1 19 . 1 1 14 14 GLU C C 14 179.285 179.285 178.668 0.617 17849 12527 1 19 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.484 0.761 17849 12528 1 19 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.948 -0.307 17849 12529 1 19 . 1 1 14 14 GLU H H 14 7.737 7.737 8.165 -0.428 17849 12530 1 19 . 1 1 15 15 ALA N N 15 120.127 120.127 123.402 -3.275 17849 12531 1 19 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.235 -0.068 17849 12532 1 19 . 1 1 15 15 ALA C C 15 178.607 178.607 180.069 -1.462 17849 12533 1 19 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.117 -0.058 17849 12534 1 19 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.485 0.646 17849 12535 1 19 . 1 1 15 15 ALA H H 15 7.747 7.747 8.491 -0.744 17849 12536 1 19 . 1 1 16 16 PHE N N 16 119.058 119.058 118.524 0.534 17849 12537 1 19 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.022 -0.715 17849 12538 1 19 . 1 1 16 16 PHE C C 16 177.236 177.236 176.910 0.326 17849 12539 1 19 . 1 1 16 16 PHE CA C 16 61.705 61.705 61.693 0.012 17849 12540 1 19 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.336 0.416 17849 12541 1 19 . 1 1 16 16 PHE H H 16 8.908 8.908 8.835 0.073 17849 12542 1 19 . 1 1 17 17 ALA N N 17 119.352 119.352 122.441 -3.089 17849 12543 1 19 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.087 0.036 17849 12544 1 19 . 1 1 17 17 ALA C C 17 178.680 178.680 178.966 -0.286 17849 12545 1 19 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.951 -0.412 17849 12546 1 19 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.594 -0.379 17849 12547 1 19 . 1 1 17 17 ALA H H 17 7.877 7.877 7.931 -0.054 17849 12548 1 19 . 1 1 18 18 LEU N N 18 115.281 115.281 117.754 -2.473 17849 12549 1 19 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.026 0.029 17849 12550 1 19 . 1 1 18 18 LEU C C 18 178.393 178.393 178.263 0.130 17849 12551 1 19 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.713 -1.071 17849 12552 1 19 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.490 0.253 17849 12553 1 19 . 1 1 18 18 LEU H H 18 7.369 7.369 8.438 -1.069 17849 12554 1 19 . 1 1 19 19 PHE N N 19 115.719 115.719 113.937 1.782 17849 12555 1 19 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.412 -0.203 17849 12556 1 19 . 1 1 19 19 PHE C C 19 176.704 176.704 175.976 0.728 17849 12557 1 19 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.701 -0.468 17849 12558 1 19 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.276 1.394 17849 12559 1 19 . 1 1 19 19 PHE H H 19 7.468 7.468 8.019 -0.551 17849 12560 1 19 . 1 1 20 20 ASP N N 20 117.209 117.209 119.022 -1.813 17849 12561 1 19 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.456 0.005 17849 12562 1 19 . 1 1 20 20 ASP C C 20 176.557 176.557 176.208 0.349 17849 12563 1 19 . 1 1 20 20 ASP CA C 20 52.245 52.245 55.692 -3.447 17849 12564 1 19 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.020 -2.873 17849 12565 1 19 . 1 1 20 20 ASP H H 20 7.488 7.488 8.041 -0.553 17849 12566 1 19 . 1 1 21 21 LYS N N 21 124.086 124.086 126.107 -2.021 17849 12567 1 19 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.245 -0.247 17849 12568 1 19 . 1 1 21 21 LYS C C 21 177.844 177.844 177.912 -0.068 17849 12569 1 19 . 1 1 21 21 LYS CA C 21 58.308 58.308 57.953 0.354 17849 12570 1 19 . 1 1 21 21 LYS CB C 21 32.452 32.452 33.018 -0.566 17849 12571 1 19 . 1 1 21 21 LYS H H 21 7.376 7.376 8.354 -0.978 17849 12572 1 19 . 1 1 22 22 ASP N N 22 114.097 114.097 115.613 -1.516 17849 12573 1 19 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.581 0.023 17849 12574 1 19 . 1 1 22 22 ASP C C 22 176.349 176.349 175.807 0.542 17849 12575 1 19 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.706 -1.003 17849 12576 1 19 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.252 -0.896 17849 12577 1 19 . 1 1 22 22 ASP H H 22 8.113 8.113 8.111 0.002 17849 12578 1 19 . 1 1 23 23 ASN N N 23 115.562 115.562 116.103 -0.541 17849 12579 1 19 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.537 -0.142 17849 12580 1 19 . 1 1 23 23 ASN C C 23 174.864 174.864 175.012 -0.148 17849 12581 1 19 . 1 1 23 23 ASN CA C 23 54.400 54.400 54.225 0.175 17849 12582 1 19 . 1 1 23 23 ASN CB C 23 37.924 37.924 36.605 1.319 17849 12583 1 19 . 1 1 23 23 ASN H H 23 8.048 8.048 8.267 -0.219 17849 12584 1 19 . 1 1 24 24 ASN N N 24 117.615 117.615 117.625 -0.010 17849 12585 1 19 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.692 0.143 17849 12586 1 19 . 1 1 24 24 ASN C C 24 177.445 177.445 176.431 1.014 17849 12587 1 19 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.533 -1.118 17849 12588 1 19 . 1 1 24 24 ASN CB C 24 38.481 38.481 38.907 -0.426 17849 12589 1 19 . 1 1 24 24 ASN H H 24 8.517 8.517 8.990 -0.473 17849 12590 1 19 . 1 1 25 25 GLY N N 25 114.308 114.308 106.934 7.374 17849 12591 1 19 . 1 1 25 25 GLY C C 25 173.105 173.105 173.192 -0.087 17849 12592 1 19 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.940 0.540 17849 12593 1 19 . 1 1 25 25 GLY H H 25 10.729 10.729 8.241 2.488 17849 12594 1 19 . 1 1 26 26 SER N N 26 113.267 113.267 115.181 -1.914 17849 12595 1 19 . 1 1 26 26 SER HA H 26 5.330 5.330 5.910 -0.580 17849 12596 1 19 . 1 1 26 26 SER C C 26 172.610 172.610 173.335 -0.725 17849 12597 1 19 . 1 1 26 26 SER CA C 26 57.375 57.375 57.243 0.132 17849 12598 1 19 . 1 1 26 26 SER CB C 26 66.504 66.504 67.027 -0.523 17849 12599 1 19 . 1 1 26 26 SER H H 26 7.773 7.773 7.533 0.240 17849 12600 1 19 . 1 1 27 27 ILE N N 27 127.124 127.124 121.011 6.113 17849 12601 1 19 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.407 0.481 17849 12602 1 19 . 1 1 27 27 ILE C C 27 175.876 175.876 174.984 0.892 17849 12603 1 19 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.319 -0.283 17849 12604 1 19 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.416 -1.520 17849 12605 1 19 . 1 1 27 27 ILE H H 27 9.848 9.848 8.208 1.640 17849 12606 1 19 . 1 1 28 28 SER N N 28 124.825 124.825 119.189 5.636 17849 12607 1 19 . 1 1 28 28 SER HA H 28 4.771 4.771 5.236 -0.465 17849 12608 1 19 . 1 1 28 28 SER C C 28 175.395 175.395 175.355 0.040 17849 12609 1 19 . 1 1 28 28 SER CA C 28 56.680 56.680 56.156 0.524 17849 12610 1 19 . 1 1 28 28 SER CB C 28 66.154 66.154 66.147 0.007 17849 12611 1 19 . 1 1 28 28 SER H H 28 9.347 9.347 8.376 0.972 17849 12612 1 19 . 1 1 29 29 SER N N 29 116.882 116.882 117.036 -0.154 17849 12613 1 19 . 1 1 29 29 SER HA H 29 4.144 4.144 4.274 -0.130 17849 12614 1 19 . 1 1 29 29 SER C C 29 176.516 176.516 176.477 0.039 17849 12615 1 19 . 1 1 29 29 SER CA C 29 62.634 62.634 61.271 1.363 17849 12616 1 19 . 1 1 29 29 SER CB C 29 62.227 62.227 62.648 -0.421 17849 12617 1 19 . 1 1 29 29 SER H H 29 9.604 9.604 9.189 0.415 17849 12618 1 19 . 1 1 30 30 SER N N 30 116.141 116.141 118.875 -2.734 17849 12619 1 19 . 1 1 30 30 SER HA H 30 4.327 4.327 4.182 0.145 17849 12620 1 19 . 1 1 30 30 SER C C 30 177.965 177.965 176.082 1.883 17849 12621 1 19 . 1 1 30 30 SER CA C 30 61.341 61.341 62.022 -0.681 17849 12622 1 19 . 1 1 30 30 SER CB C 30 62.429 62.429 62.928 -0.499 17849 12623 1 19 . 1 1 30 30 SER H H 30 8.184 8.184 8.697 -0.513 17849 12624 1 19 . 1 1 31 31 GLU N N 31 124.933 124.933 121.472 3.461 17849 12625 1 19 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.177 -0.086 17849 12626 1 19 . 1 1 31 31 GLU C C 31 179.355 179.355 178.755 0.600 17849 12627 1 19 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.497 0.945 17849 12628 1 19 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.852 -0.516 17849 12629 1 19 . 1 1 31 31 GLU H H 31 7.973 7.973 7.786 0.187 17849 12630 1 19 . 1 1 32 32 LEU N N 32 120.778 120.778 120.912 -0.134 17849 12631 1 19 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.291 -0.124 17849 12632 1 19 . 1 1 32 32 LEU C C 32 178.364 178.364 178.773 -0.409 17849 12633 1 19 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.482 0.865 17849 12634 1 19 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.206 -0.095 17849 12635 1 19 . 1 1 32 32 LEU H H 32 8.616 8.616 8.333 0.283 17849 12636 1 19 . 1 1 33 33 ALA N N 33 120.423 120.423 120.687 -0.264 17849 12637 1 19 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.958 -0.082 17849 12638 1 19 . 1 1 33 33 ALA C C 33 179.394 179.394 179.080 0.314 17849 12639 1 19 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.135 0.653 17849 12640 1 19 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.935 0.583 17849 12641 1 19 . 1 1 33 33 ALA H H 33 8.688 8.688 8.560 0.128 17849 12642 1 19 . 1 1 34 34 THR N N 34 114.299 114.299 114.291 0.008 17849 12643 1 19 . 1 1 34 34 THR HA H 34 3.902 3.902 4.043 -0.141 17849 12644 1 19 . 1 1 34 34 THR C C 34 177.161 177.161 176.366 0.795 17849 12645 1 19 . 1 1 34 34 THR CA C 34 67.173 67.173 66.663 0.510 17849 12646 1 19 . 1 1 34 34 THR CB C 34 68.712 68.712 68.574 0.138 17849 12647 1 19 . 1 1 34 34 THR H H 34 8.219 8.219 7.580 0.639 17849 12648 1 19 . 1 1 35 35 VAL N N 35 122.638 122.638 120.386 2.252 17849 12649 1 19 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.698 -0.114 17849 12650 1 19 . 1 1 35 35 VAL C C 35 178.403 178.403 177.647 0.756 17849 12651 1 19 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.410 1.474 17849 12652 1 19 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.270 0.091 17849 12653 1 19 . 1 1 35 35 VAL H H 35 7.791 7.791 8.199 -0.408 17849 12654 1 19 . 1 1 36 36 MET N N 36 117.307 117.307 119.120 -1.813 17849 12655 1 19 . 1 1 36 36 MET HA H 36 3.906 3.906 4.149 -0.243 17849 12656 1 19 . 1 1 36 36 MET C C 36 178.456 178.456 178.250 0.206 17849 12657 1 19 . 1 1 36 36 MET CA C 36 59.787 59.787 58.436 1.351 17849 12658 1 19 . 1 1 36 36 MET CB C 36 32.548 32.548 31.923 0.625 17849 12659 1 19 . 1 1 36 36 MET H H 36 8.308 8.308 7.563 0.745 17849 12660 1 19 . 1 1 37 37 ARG N N 37 118.384 118.384 117.126 1.258 17849 12661 1 19 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.362 0.395 17849 12662 1 19 . 1 1 37 37 ARG C C 37 181.371 181.371 177.981 3.390 17849 12663 1 19 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.524 0.363 17849 12664 1 19 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.606 0.492 17849 12665 1 19 . 1 1 37 37 ARG H H 37 8.634 8.634 8.065 0.569 17849 12666 1 19 . 1 1 38 38 SER N N 38 118.916 118.916 112.150 6.766 17849 12667 1 19 . 1 1 38 38 SER HA H 38 4.339 4.339 4.303 0.036 17849 12668 1 19 . 1 1 38 38 SER C C 38 174.705 174.705 175.258 -0.553 17849 12669 1 19 . 1 1 38 38 SER CA C 38 61.793 61.793 60.014 1.779 17849 12670 1 19 . 1 1 38 38 SER CB C 38 62.713 62.713 63.190 -0.477 17849 12671 1 19 . 1 1 38 38 SER H H 38 8.226 8.226 7.396 0.830 17849 12672 1 19 . 1 1 39 39 LEU N N 39 119.948 119.948 120.069 -0.121 17849 12673 1 19 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.086 0.210 17849 12674 1 19 . 1 1 39 39 LEU C C 39 176.723 176.723 177.944 -1.221 17849 12675 1 19 . 1 1 39 39 LEU CA C 39 54.560 54.560 56.834 -2.274 17849 12676 1 19 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.430 -0.441 17849 12677 1 19 . 1 1 39 39 LEU H H 39 7.331 7.331 7.851 -0.520 17849 12678 1 19 . 1 1 40 40 GLY N N 40 105.997 105.997 102.939 3.058 17849 12679 1 19 . 1 1 40 40 GLY C C 40 174.405 174.405 173.637 0.768 17849 12680 1 19 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.002 0.186 17849 12681 1 19 . 1 1 40 40 GLY H H 40 7.889 7.889 7.779 0.110 17849 12682 1 19 . 1 1 41 41 LEU N N 41 120.071 120.071 118.385 1.686 17849 12683 1 19 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.804 -0.318 17849 12684 1 19 . 1 1 41 41 LEU C C 41 175.829 175.829 175.387 0.442 17849 12685 1 19 . 1 1 41 41 LEU CA C 41 54.187 54.187 54.266 -0.079 17849 12686 1 19 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.032 -0.459 17849 12687 1 19 . 1 1 41 41 LEU H H 41 7.592 7.592 7.774 -0.182 17849 12688 1 19 . 1 1 42 42 SER N N 42 112.869 112.869 114.905 -2.036 17849 12689 1 19 . 1 1 42 42 SER HA H 42 4.797 4.797 4.818 -0.021 17849 12690 1 19 . 1 1 42 42 SER CA C 42 54.960 54.960 55.695 -0.735 17849 12691 1 19 . 1 1 42 42 SER CB C 42 63.177 63.177 63.839 -0.662 17849 12692 1 19 . 1 1 42 42 SER H H 42 8.761 8.761 8.401 0.360 17849 12693 1 19 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.729 -0.021 17849 12694 1 19 . 1 1 43 43 PRO C C 43 177.533 177.533 176.370 1.163 17849 12695 1 19 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.203 -0.028 17849 12696 1 19 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.559 -0.685 17849 12697 1 19 . 1 1 44 44 SER N N 44 119.089 119.089 116.128 2.961 17849 12698 1 19 . 1 1 44 44 SER HA H 44 4.574 4.574 4.614 -0.040 17849 12699 1 19 . 1 1 44 44 SER C C 44 174.803 174.803 175.533 -0.730 17849 12700 1 19 . 1 1 44 44 SER CA C 44 56.786 56.786 56.326 0.460 17849 12701 1 19 . 1 1 44 44 SER CB C 44 65.387 65.387 65.860 -0.473 17849 12702 1 19 . 1 1 44 44 SER H H 44 9.014 9.014 8.295 0.719 17849 12703 1 19 . 1 1 45 45 GLU N N 45 121.343 121.343 123.153 -1.810 17849 12704 1 19 . 1 1 45 45 GLU HA H 45 3.944 3.944 4.131 -0.187 17849 12705 1 19 . 1 1 45 45 GLU C C 45 178.978 178.978 177.715 1.263 17849 12706 1 19 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.557 0.549 17849 12707 1 19 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.655 -0.352 17849 12708 1 19 . 1 1 45 45 GLU H H 45 8.925 8.925 8.951 -0.026 17849 12709 1 19 . 1 1 46 46 ALA N N 46 120.822 120.822 121.792 -0.970 17849 12710 1 19 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.193 -0.047 17849 12711 1 19 . 1 1 46 46 ALA C C 46 179.782 179.782 179.162 0.620 17849 12712 1 19 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.671 0.415 17849 12713 1 19 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.360 -0.104 17849 12714 1 19 . 1 1 46 46 ALA H H 46 8.339 8.339 7.448 0.891 17849 12715 1 19 . 1 1 47 47 GLU N N 47 118.432 118.432 118.446 -0.014 17849 12716 1 19 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.175 -0.101 17849 12717 1 19 . 1 1 47 47 GLU C C 47 180.222 180.222 177.839 2.383 17849 12718 1 19 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.846 0.363 17849 12719 1 19 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.500 0.385 17849 12720 1 19 . 1 1 47 47 GLU H H 47 7.759 7.759 8.194 -0.435 17849 12721 1 19 . 1 1 48 48 VAL N N 48 120.023 120.023 119.616 0.407 17849 12722 1 19 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.882 -0.384 17849 12723 1 19 . 1 1 48 48 VAL C C 48 177.380 177.380 177.776 -0.396 17849 12724 1 19 . 1 1 48 48 VAL CA C 48 67.258 67.258 64.950 2.308 17849 12725 1 19 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.410 -0.049 17849 12726 1 19 . 1 1 48 48 VAL H H 48 8.174 8.174 8.538 -0.364 17849 12727 1 19 . 1 1 49 49 ASN N N 49 118.475 118.475 118.680 -0.205 17849 12728 1 19 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.453 -0.048 17849 12729 1 19 . 1 1 49 49 ASN C C 49 177.352 177.352 177.005 0.347 17849 12730 1 19 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.381 0.329 17849 12731 1 19 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.077 0.194 17849 12732 1 19 . 1 1 49 49 ASN H H 49 8.208 8.208 7.868 0.340 17849 12733 1 19 . 1 1 50 50 ASP N N 50 120.147 120.147 120.374 -0.227 17849 12734 1 19 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.476 0.006 17849 12735 1 19 . 1 1 50 50 ASP C C 50 178.973 178.973 178.130 0.843 17849 12736 1 19 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.818 0.622 17849 12737 1 19 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.916 -0.736 17849 12738 1 19 . 1 1 50 50 ASP H H 50 8.400 8.400 7.632 0.768 17849 12739 1 19 . 1 1 51 51 LEU N N 51 121.706 121.706 118.271 3.435 17849 12740 1 19 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.213 -0.105 17849 12741 1 19 . 1 1 51 51 LEU C C 51 178.796 178.796 179.018 -0.222 17849 12742 1 19 . 1 1 51 51 LEU CA C 51 58.132 58.132 56.896 1.236 17849 12743 1 19 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.943 -0.053 17849 12744 1 19 . 1 1 51 51 LEU H H 51 7.830 7.830 7.356 0.474 17849 12745 1 19 . 1 1 52 52 MET N N 52 117.267 117.267 115.937 1.330 17849 12746 1 19 . 1 1 52 52 MET HA H 52 4.145 4.145 4.398 -0.253 17849 12747 1 19 . 1 1 52 52 MET C C 52 178.260 178.260 177.687 0.573 17849 12748 1 19 . 1 1 52 52 MET CA C 52 57.418 57.418 56.360 1.058 17849 12749 1 19 . 1 1 52 52 MET CB C 52 30.089 30.089 31.812 -1.723 17849 12750 1 19 . 1 1 52 52 MET H H 52 8.601 8.601 8.532 0.069 17849 12751 1 19 . 1 1 53 53 ASN N N 53 115.368 115.368 117.977 -2.609 17849 12752 1 19 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.488 0.085 17849 12753 1 19 . 1 1 53 53 ASN C C 53 176.890 176.890 175.783 1.107 17849 12754 1 19 . 1 1 53 53 ASN CA C 53 55.332 55.332 55.927 -0.595 17849 12755 1 19 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.800 -0.646 17849 12756 1 19 . 1 1 53 53 ASN H H 53 8.239 8.239 7.939 0.300 17849 12757 1 19 . 1 1 54 54 GLU N N 54 117.437 117.437 116.327 1.110 17849 12758 1 19 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.189 0.061 17849 12759 1 19 . 1 1 54 54 GLU C C 54 177.019 177.019 177.420 -0.401 17849 12760 1 19 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.293 -0.606 17849 12761 1 19 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.617 0.476 17849 12762 1 19 . 1 1 54 54 GLU H H 54 7.625 7.625 7.726 -0.101 17849 12763 1 19 . 1 1 55 55 ILE N N 55 117.098 117.098 118.185 -1.087 17849 12764 1 19 . 1 1 55 55 ILE HA H 55 3.901 3.901 4.041 -0.140 17849 12765 1 19 . 1 1 55 55 ILE C C 55 176.027 176.027 175.464 0.563 17849 12766 1 19 . 1 1 55 55 ILE CA C 55 62.637 62.637 62.320 0.317 17849 12767 1 19 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.531 1.506 17849 12768 1 19 . 1 1 55 55 ILE H H 55 7.496 7.496 7.361 0.135 17849 12769 1 19 . 1 1 56 56 ASP N N 56 118.367 118.367 120.148 -1.781 17849 12770 1 19 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.689 -0.272 17849 12771 1 19 . 1 1 56 56 ASP C C 56 175.761 175.761 176.359 -0.598 17849 12772 1 19 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.879 -0.471 17849 12773 1 19 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.322 -0.089 17849 12774 1 19 . 1 1 56 56 ASP H H 56 8.329 8.329 7.738 0.591 17849 12775 1 19 . 1 1 57 57 VAL N N 57 126.262 126.262 123.485 2.777 17849 12776 1 19 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.952 0.054 17849 12777 1 19 . 1 1 57 57 VAL C C 57 177.253 177.253 176.659 0.594 17849 12778 1 19 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.969 0.256 17849 12779 1 19 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.459 0.727 17849 12780 1 19 . 1 1 57 57 VAL H H 57 8.116 8.116 8.770 -0.654 17849 12781 1 19 . 1 1 58 58 ASP N N 58 116.896 116.896 118.532 -1.636 17849 12782 1 19 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.625 -0.053 17849 12783 1 19 . 1 1 58 58 ASP C C 58 177.670 177.670 176.806 0.864 17849 12784 1 19 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.861 -0.056 17849 12785 1 19 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.272 -1.279 17849 12786 1 19 . 1 1 58 58 ASP H H 58 8.356 8.356 8.174 0.182 17849 12787 1 19 . 1 1 59 59 GLY N N 59 107.989 107.989 108.519 -0.530 17849 12788 1 19 . 1 1 59 59 GLY C C 59 174.661 174.661 174.937 -0.276 17849 12789 1 19 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.132 1.948 17849 12790 1 19 . 1 1 59 59 GLY H H 59 7.622 7.622 8.364 -0.742 17849 12791 1 19 . 1 1 60 60 ASN N N 60 118.703 118.703 118.198 0.505 17849 12792 1 19 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.352 0.190 17849 12793 1 19 . 1 1 60 60 ASN C C 60 175.787 175.787 174.219 1.568 17849 12794 1 19 . 1 1 60 60 ASN CA C 60 52.283 52.283 51.999 0.284 17849 12795 1 19 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.184 -1.000 17849 12796 1 19 . 1 1 60 60 ASN H H 60 8.096 8.096 8.597 -0.501 17849 12797 1 19 . 1 1 61 61 HIS N N 61 117.475 117.475 111.894 5.581 17849 12798 1 19 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.327 -0.459 17849 12799 1 19 . 1 1 61 61 HIS C C 61 172.407 172.407 173.217 -0.810 17849 12800 1 19 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.924 -0.496 17849 12801 1 19 . 1 1 61 61 HIS CB C 61 26.973 26.973 25.952 1.021 17849 12802 1 19 . 1 1 61 61 HIS H H 61 9.998 9.998 8.533 1.465 17849 12803 1 19 . 1 1 62 62 GLN N N 62 112.629 112.629 116.625 -3.996 17849 12804 1 19 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.425 -0.616 17849 12805 1 19 . 1 1 62 62 GLN C C 62 174.654 174.654 174.810 -0.156 17849 12806 1 19 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.417 -0.609 17849 12807 1 19 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.767 -0.642 17849 12808 1 19 . 1 1 62 62 GLN H H 62 7.541 7.541 8.448 -0.907 17849 12809 1 19 . 1 1 63 63 ILE N N 63 123.800 123.800 125.918 -2.118 17849 12810 1 19 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.585 0.461 17849 12811 1 19 . 1 1 63 63 ILE C C 63 176.626 176.626 175.806 0.820 17849 12812 1 19 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.295 1.598 17849 12813 1 19 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.106 2.074 17849 12814 1 19 . 1 1 63 63 ILE H H 63 9.312 9.312 8.598 0.714 17849 12815 1 19 . 1 1 64 64 GLU N N 64 128.941 128.941 126.566 2.375 17849 12816 1 19 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.800 0.176 17849 12817 1 19 . 1 1 64 64 GLU C C 64 178.001 178.001 177.658 0.343 17849 12818 1 19 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.935 2.785 17849 12819 1 19 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.387 -1.159 17849 12820 1 19 . 1 1 64 64 GLU H H 64 8.846 8.846 8.084 0.762 17849 12821 1 19 . 1 1 65 65 PHE N N 65 124.119 124.119 121.758 2.361 17849 12822 1 19 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.306 -0.780 17849 12823 1 19 . 1 1 65 65 PHE C C 65 176.981 176.981 177.362 -0.381 17849 12824 1 19 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.432 0.832 17849 12825 1 19 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.322 -1.498 17849 12826 1 19 . 1 1 65 65 PHE H H 65 9.488 9.488 9.118 0.370 17849 12827 1 19 . 1 1 66 66 SER N N 66 112.445 112.445 115.251 -2.806 17849 12828 1 19 . 1 1 66 66 SER HA H 66 3.667 3.667 4.437 -0.770 17849 12829 1 19 . 1 1 66 66 SER C C 66 177.385 177.385 176.473 0.912 17849 12830 1 19 . 1 1 66 66 SER CA C 66 61.503 61.503 61.662 -0.159 17849 12831 1 19 . 1 1 66 66 SER CB C 66 61.285 61.285 62.407 -1.122 17849 12832 1 19 . 1 1 66 66 SER H H 66 8.972 8.972 8.553 0.419 17849 12833 1 19 . 1 1 67 67 GLU N N 67 122.775 122.775 121.845 0.930 17849 12834 1 19 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.057 0.063 17849 12835 1 19 . 1 1 67 67 GLU C C 67 178.567 178.567 178.869 -0.302 17849 12836 1 19 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.398 -1.555 17849 12837 1 19 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.408 -0.159 17849 12838 1 19 . 1 1 67 67 GLU H H 67 6.799 6.799 8.633 -1.834 17849 12839 1 19 . 1 1 68 68 PHE N N 68 123.231 123.231 120.098 3.133 17849 12840 1 19 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.114 -0.283 17849 12841 1 19 . 1 1 68 68 PHE C C 68 175.936 175.936 177.041 -1.105 17849 12842 1 19 . 1 1 68 68 PHE CA C 68 61.116 61.116 60.967 0.149 17849 12843 1 19 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.195 1.020 17849 12844 1 19 . 1 1 68 68 PHE H H 68 8.176 8.176 8.578 -0.402 17849 12845 1 19 . 1 1 69 69 LEU N N 69 118.554 118.554 119.492 -0.938 17849 12846 1 19 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.447 -0.281 17849 12847 1 19 . 1 1 69 69 LEU C C 69 179.074 179.074 178.517 0.557 17849 12848 1 19 . 1 1 69 69 LEU CA C 69 57.132 57.132 58.157 -1.025 17849 12849 1 19 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.527 -0.261 17849 12850 1 19 . 1 1 69 69 LEU H H 69 8.626 8.626 7.570 1.056 17849 12851 1 19 . 1 1 70 70 ALA N N 70 120.878 120.878 119.028 1.850 17849 12852 1 19 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.062 -0.177 17849 12853 1 19 . 1 1 70 70 ALA C C 70 179.914 179.914 179.257 0.657 17849 12854 1 19 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.417 0.553 17849 12855 1 19 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.336 -0.559 17849 12856 1 19 . 1 1 70 70 ALA H H 70 7.322 7.322 8.086 -0.764 17849 12857 1 19 . 1 1 71 71 LEU N N 71 118.871 118.871 117.322 1.549 17849 12858 1 19 . 1 1 71 71 LEU HA H 71 3.928 3.928 4.137 -0.209 17849 12859 1 19 . 1 1 71 71 LEU C C 71 178.009 178.009 177.533 0.476 17849 12860 1 19 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.054 0.690 17849 12861 1 19 . 1 1 71 71 LEU CB C 71 41.412 41.412 42.216 -0.804 17849 12862 1 19 . 1 1 71 71 LEU H H 71 7.219 7.219 7.455 -0.236 17849 12863 1 19 . 1 1 72 72 MET N N 72 113.480 113.480 115.651 -2.171 17849 12864 1 19 . 1 1 72 72 MET HA H 72 4.165 4.165 4.284 -0.119 17849 12865 1 19 . 1 1 72 72 MET CA C 72 55.413 55.413 56.541 -1.128 17849 12866 1 19 . 1 1 72 72 MET CB C 72 31.199 31.199 33.008 -1.809 17849 12867 1 19 . 1 1 72 72 MET H H 72 7.486 7.486 7.548 -0.062 17849 12868 1 19 . 1 1 73 73 SER HA H 73 4.337 4.337 4.550 -0.213 17849 12869 1 19 . 1 1 73 73 SER C C 73 174.241 174.241 175.380 -1.139 17849 12870 1 19 . 1 1 73 73 SER CA C 73 59.132 59.132 58.763 0.369 17849 12871 1 19 . 1 1 73 73 SER CB C 73 63.649 63.649 63.704 -0.055 17849 12872 1 19 . 1 1 73 73 SER H H 73 7.699 7.699 7.507 0.192 17849 12873 1 19 . 1 1 74 74 ARG N N 74 121.213 121.213 119.833 1.380 17849 12874 1 19 . 1 1 74 74 ARG HA H 74 4.211 4.211 3.895 0.316 17849 12875 1 19 . 1 1 74 74 ARG C C 74 175.638 175.638 176.164 -0.526 17849 12876 1 19 . 1 1 74 74 ARG CA C 74 56.850 56.850 59.403 -2.553 17849 12877 1 19 . 1 1 74 74 ARG CB C 74 30.672 30.672 29.951 0.721 17849 12878 1 19 . 1 1 74 74 ARG H H 74 7.400 7.400 7.486 -0.086 17849 12879 1 19 . 1 1 75 75 GLN N N 75 118.914 118.914 117.292 1.622 17849 12880 1 19 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.833 0.482 17849 12881 1 19 . 1 1 75 75 GLN H H 75 8.090 8.090 8.059 0.031 17849 12882 1 19 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.425 -0.038 17849 12883 1 19 . 1 1 77 77 LYS C C 77 176.410 176.410 174.681 1.729 17849 12884 1 19 . 1 1 77 77 LYS CA C 77 56.042 56.042 55.031 1.011 17849 12885 1 19 . 1 1 77 77 LYS CB C 77 33.157 33.157 35.670 -2.513 17849 12886 1 19 . 1 1 78 78 SER N N 78 116.257 116.257 117.447 -1.190 17849 12887 1 19 . 1 1 78 78 SER HA H 78 4.422 4.422 4.349 0.073 17849 12888 1 19 . 1 1 78 78 SER C C 78 174.436 174.436 173.856 0.580 17849 12889 1 19 . 1 1 78 78 SER CA C 78 58.366 58.366 59.089 -0.723 17849 12890 1 19 . 1 1 78 78 SER CB C 78 63.855 63.855 63.582 0.273 17849 12891 1 19 . 1 1 78 78 SER H H 78 8.332 8.332 8.489 -0.157 17849 12892 1 19 . 1 1 79 79 ASN N N 79 120.267 120.267 122.748 -2.481 17849 12893 1 19 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.837 -0.110 17849 12894 1 19 . 1 1 79 79 ASN C C 79 174.966 174.966 174.479 0.487 17849 12895 1 19 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.093 0.374 17849 12896 1 19 . 1 1 79 79 ASN CB C 79 38.869 38.869 41.479 -2.610 17849 12897 1 19 . 1 1 79 79 ASN H H 79 8.548 8.548 8.284 0.264 17849 12898 1 19 . 1 1 80 80 ASP N N 80 119.659 119.659 122.130 -2.471 17849 12899 1 19 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.703 -0.086 17849 12900 1 19 . 1 1 80 80 ASP C C 80 176.412 176.412 175.933 0.479 17849 12901 1 19 . 1 1 80 80 ASP CA C 80 54.710 54.710 53.872 0.838 17849 12902 1 19 . 1 1 80 80 ASP CB C 80 41.223 41.223 39.082 2.141 17849 12903 1 19 . 1 1 80 80 ASP H H 80 8.325 8.325 8.760 -0.435 17849 12904 1 19 . 1 1 81 81 SER N N 81 115.425 115.425 113.358 2.067 17849 12905 1 19 . 1 1 81 81 SER HA H 81 4.414 4.414 4.162 0.252 17849 12906 1 19 . 1 1 81 81 SER C C 81 174.733 174.733 174.150 0.583 17849 12907 1 19 . 1 1 81 81 SER CA C 81 59.183 59.183 59.673 -0.491 17849 12908 1 19 . 1 1 81 81 SER CB C 81 63.784 63.784 62.731 1.052 17849 12909 1 19 . 1 1 81 81 SER H H 81 8.256 8.256 8.334 -0.078 17849 12910 1 19 . 1 1 82 82 GLU N N 82 121.456 121.456 120.516 0.940 17849 12911 1 19 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.055 0.268 17849 12912 1 19 . 1 1 82 82 GLU C C 82 176.385 176.385 176.546 -0.161 17849 12913 1 19 . 1 1 82 82 GLU CA C 82 56.728 56.728 58.222 -1.494 17849 12914 1 19 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.951 -0.079 17849 12915 1 19 . 1 1 82 82 GLU H H 82 8.375 8.375 7.863 0.512 17849 12916 1 19 . 1 1 83 83 GLN N N 83 120.069 120.069 113.290 6.779 17849 12917 1 19 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.035 0.270 17849 12918 1 19 . 1 1 83 83 GLN C C 83 176.054 176.054 175.658 0.396 17849 12919 1 19 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.164 -1.017 17849 12920 1 19 . 1 1 83 83 GLN CB C 83 29.303 29.303 27.494 1.809 17849 12921 1 19 . 1 1 83 83 GLN H H 83 8.233 8.233 8.549 -0.316 17849 12922 1 19 . 1 1 84 84 GLU N N 84 122.390 122.390 115.333 7.057 17849 12923 1 19 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.215 0.076 17849 12924 1 19 . 1 1 84 84 GLU C C 84 177.528 177.528 177.010 0.518 17849 12925 1 19 . 1 1 84 84 GLU CA C 84 57.198 57.198 57.838 -0.640 17849 12926 1 19 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.852 0.261 17849 12927 1 19 . 1 1 84 84 GLU H H 84 8.567 8.567 8.456 0.111 17849 12928 1 19 . 1 1 85 85 LEU N N 85 122.788 122.788 119.255 3.533 17849 12929 1 19 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.212 -0.017 17849 12930 1 19 . 1 1 85 85 LEU CA C 85 56.517 56.517 55.096 1.421 17849 12931 1 19 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.321 2.095 17849 12932 1 19 . 1 1 85 85 LEU H H 85 8.434 8.434 8.029 0.405 17849 12933 1 19 . 1 1 86 86 LEU N N 86 119.558 119.558 117.394 2.164 17849 12934 1 19 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.603 -0.446 17849 12935 1 19 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.027 -0.908 17849 12936 1 19 . 1 1 86 86 LEU CB C 86 41.558 41.558 43.009 -1.451 17849 12937 1 19 . 1 1 86 86 LEU H H 86 8.037 8.037 7.444 0.593 17849 12938 1 19 . 1 1 87 87 GLU N N 87 121.323 121.323 118.579 2.744 17849 12939 1 19 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.115 -0.192 17849 12940 1 19 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.375 1.172 17849 12941 1 19 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.825 0.518 17849 12942 1 19 . 1 1 87 87 GLU H H 87 8.192 8.192 8.143 0.049 17849 12943 1 19 . 1 1 88 88 ALA N N 88 119.942 119.942 124.229 -4.287 17849 12944 1 19 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.342 -0.266 17849 12945 1 19 . 1 1 88 88 ALA C C 88 178.281 178.281 178.635 -0.354 17849 12946 1 19 . 1 1 88 88 ALA CA C 88 54.481 54.481 54.567 -0.086 17849 12947 1 19 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.713 0.097 17849 12948 1 19 . 1 1 88 88 ALA H H 88 8.363 8.363 7.652 0.711 17849 12949 1 19 . 1 1 89 89 PHE N N 89 111.807 111.807 114.493 -2.686 17849 12950 1 19 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.053 0.436 17849 12951 1 19 . 1 1 89 89 PHE C C 89 176.632 176.632 175.668 0.964 17849 12952 1 19 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.057 2.421 17849 12953 1 19 . 1 1 89 89 PHE CB C 89 38.642 38.642 38.220 0.422 17849 12954 1 19 . 1 1 89 89 PHE H H 89 7.855 7.855 8.003 -0.148 17849 12955 1 19 . 1 1 90 90 LYS N N 90 120.375 120.375 121.751 -1.376 17849 12956 1 19 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.249 -0.251 17849 12957 1 19 . 1 1 90 90 LYS C C 90 178.490 178.490 177.697 0.793 17849 12958 1 19 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.453 2.541 17849 12959 1 19 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.681 -0.766 17849 12960 1 19 . 1 1 90 90 LYS H H 90 7.957 7.957 7.873 0.084 17849 12961 1 19 . 1 1 91 91 VAL N N 91 116.643 116.643 120.071 -3.428 17849 12962 1 19 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.739 0.135 17849 12963 1 19 . 1 1 91 91 VAL C C 91 175.413 175.413 176.253 -0.840 17849 12964 1 19 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.269 -1.576 17849 12965 1 19 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.902 -0.668 17849 12966 1 19 . 1 1 91 91 VAL H H 91 7.389 7.389 7.514 -0.125 17849 12967 1 19 . 1 1 92 92 PHE N N 92 115.769 115.769 112.703 3.066 17849 12968 1 19 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.620 -0.100 17849 12969 1 19 . 1 1 92 92 PHE CA C 92 59.175 59.175 55.723 3.452 17849 12970 1 19 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.292 1.942 17849 12971 1 19 . 1 1 92 92 PHE H H 92 7.534 7.534 7.229 0.305 17849 12972 1 19 . 1 1 93 93 ASP N N 93 115.397 115.397 121.084 -5.687 17849 12973 1 19 . 1 1 93 93 ASP HA H 93 4.858 4.858 5.052 -0.194 17849 12974 1 19 . 1 1 93 93 ASP C C 93 177.421 177.421 177.155 0.266 17849 12975 1 19 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.087 0.379 17849 12976 1 19 . 1 1 93 93 ASP CB C 93 38.980 38.980 39.662 -0.682 17849 12977 1 19 . 1 1 93 93 ASP H H 93 7.543 7.543 8.086 -0.543 17849 12978 1 19 . 1 1 94 94 LYS N N 94 125.591 125.591 123.208 2.383 17849 12979 1 19 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.066 0.013 17849 12980 1 19 . 1 1 94 94 LYS C C 94 177.856 177.856 177.679 0.177 17849 12981 1 19 . 1 1 94 94 LYS CA C 94 57.930 57.930 58.105 -0.174 17849 12982 1 19 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.215 0.179 17849 12983 1 19 . 1 1 94 94 LYS H H 94 7.873 7.873 7.979 -0.106 17849 12984 1 19 . 1 1 95 95 ASN N N 95 112.796 112.796 116.660 -3.864 17849 12985 1 19 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.586 0.211 17849 12986 1 19 . 1 1 95 95 ASN C C 95 176.619 176.619 176.053 0.566 17849 12987 1 19 . 1 1 95 95 ASN CA C 95 51.910 51.910 53.278 -1.368 17849 12988 1 19 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.815 -1.539 17849 12989 1 19 . 1 1 95 95 ASN H H 95 8.272 8.272 7.796 0.476 17849 12990 1 19 . 1 1 96 96 GLY N N 96 109.132 109.132 108.427 0.705 17849 12991 1 19 . 1 1 96 96 GLY C C 96 174.799 174.799 174.017 0.782 17849 12992 1 19 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.314 1.257 17849 12993 1 19 . 1 1 96 96 GLY H H 96 7.654 7.654 8.190 -0.536 17849 12994 1 19 . 1 1 97 97 ASP N N 97 118.796 118.796 120.083 -1.287 17849 12995 1 19 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.653 -0.123 17849 12996 1 19 . 1 1 97 97 ASP C C 97 177.137 177.137 177.381 -0.244 17849 12997 1 19 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.350 0.042 17849 12998 1 19 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.904 -1.515 17849 12999 1 19 . 1 1 97 97 ASP H H 97 8.090 8.090 8.216 -0.126 17849 13000 1 19 . 1 1 98 98 GLY N N 98 112.962 112.962 107.150 5.812 17849 13001 1 19 . 1 1 98 98 GLY C C 98 172.142 172.142 173.150 -1.008 17849 13002 1 19 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.586 0.138 17849 13003 1 19 . 1 1 98 98 GLY H H 98 10.329 10.329 8.497 1.832 17849 13004 1 19 . 1 1 99 99 LEU N N 99 119.691 119.691 122.183 -2.492 17849 13005 1 19 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.743 0.019 17849 13006 1 19 . 1 1 99 99 LEU C C 99 176.162 176.162 175.578 0.584 17849 13007 1 19 . 1 1 99 99 LEU CA C 99 52.824 52.824 54.550 -1.726 17849 13008 1 19 . 1 1 99 99 LEU CB C 99 44.782 44.782 43.900 0.882 17849 13009 1 19 . 1 1 99 99 LEU H H 99 8.000 8.000 7.215 0.785 17849 13010 1 19 . 1 1 100 100 ILE N N 100 127.464 127.464 115.357 12.107 17849 13011 1 19 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.844 -0.170 17849 13012 1 19 . 1 1 100 100 ILE C C 100 175.006 175.006 174.817 0.189 17849 13013 1 19 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.469 0.951 17849 13014 1 19 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.961 -3.150 17849 13015 1 19 . 1 1 100 100 ILE H H 100 9.491 9.491 7.940 1.551 17849 13016 1 19 . 1 1 101 101 SER N N 101 123.104 123.104 119.095 4.009 17849 13017 1 19 . 1 1 101 101 SER HA H 101 4.770 4.770 4.774 -0.004 17849 13018 1 19 . 1 1 101 101 SER C C 101 174.847 174.847 175.464 -0.617 17849 13019 1 19 . 1 1 101 101 SER CA C 101 55.854 55.854 56.098 -0.244 17849 13020 1 19 . 1 1 101 101 SER CB C 101 65.994 65.994 66.681 -0.687 17849 13021 1 19 . 1 1 101 101 SER H H 101 9.058 9.058 8.218 0.840 17849 13022 1 19 . 1 1 102 102 ALA N N 102 124.316 124.316 122.557 1.759 17849 13023 1 19 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.580 -0.964 17849 13024 1 19 . 1 1 102 102 ALA C C 102 179.388 179.388 178.640 0.748 17849 13025 1 19 . 1 1 102 102 ALA CA C 102 55.724 55.724 54.469 1.255 17849 13026 1 19 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.406 -1.091 17849 13027 1 19 . 1 1 102 102 ALA H H 102 8.587 8.587 8.958 -0.371 17849 13028 1 19 . 1 1 103 103 ALA N N 103 118.346 118.346 122.202 -3.856 17849 13029 1 19 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.219 -0.219 17849 13030 1 19 . 1 1 103 103 ALA C C 103 181.188 181.188 179.371 1.817 17849 13031 1 19 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.362 0.696 17849 13032 1 19 . 1 1 103 103 ALA CB C 103 18.389 18.389 19.096 -0.708 17849 13033 1 19 . 1 1 103 103 ALA H H 103 8.266 8.266 7.742 0.524 17849 13034 1 19 . 1 1 104 104 GLU N N 104 120.568 120.568 119.868 0.700 17849 13035 1 19 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.067 -0.011 17849 13036 1 19 . 1 1 104 104 GLU C C 104 178.762 178.762 179.270 -0.508 17849 13037 1 19 . 1 1 104 104 GLU CA C 104 59.968 59.968 59.458 0.510 17849 13038 1 19 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.762 -0.851 17849 13039 1 19 . 1 1 104 104 GLU H H 104 7.928 7.928 7.673 0.255 17849 13040 1 19 . 1 1 105 105 LEU N N 105 117.903 117.903 119.213 -1.310 17849 13041 1 19 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.151 -0.122 17849 13042 1 19 . 1 1 105 105 LEU C C 105 178.497 178.497 178.997 -0.500 17849 13043 1 19 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.766 0.687 17849 13044 1 19 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.166 1.026 17849 13045 1 19 . 1 1 105 105 LEU H H 105 7.926 7.926 8.583 -0.657 17849 13046 1 19 . 1 1 106 106 LYS N N 106 115.836 115.836 119.018 -3.182 17849 13047 1 19 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.173 -0.374 17849 13048 1 19 . 1 1 106 106 LYS C C 106 179.102 179.102 178.791 0.311 17849 13049 1 19 . 1 1 106 106 LYS CA C 106 60.172 60.172 59.046 1.126 17849 13050 1 19 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.317 0.293 17849 13051 1 19 . 1 1 106 106 LYS H H 106 8.337 8.337 7.645 0.692 17849 13052 1 19 . 1 1 107 107 HIS N N 107 119.620 119.620 118.988 0.632 17849 13053 1 19 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.408 -0.154 17849 13054 1 19 . 1 1 107 107 HIS C C 107 178.167 178.167 177.536 0.631 17849 13055 1 19 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.657 1.271 17849 13056 1 19 . 1 1 107 107 HIS CB C 107 30.584 30.584 29.592 0.992 17849 13057 1 19 . 1 1 107 107 HIS H H 107 8.502 8.502 8.472 0.030 17849 13058 1 19 . 1 1 108 108 VAL N N 108 118.595 118.595 121.097 -2.502 17849 13059 1 19 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.513 0.143 17849 13060 1 19 . 1 1 108 108 VAL C C 108 178.608 178.608 176.692 1.916 17849 13061 1 19 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.572 0.784 17849 13062 1 19 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.328 0.987 17849 13063 1 19 . 1 1 108 108 VAL H H 108 8.348 8.348 7.360 0.988 17849 13064 1 19 . 1 1 109 109 LEU N N 109 116.755 116.755 114.800 1.955 17849 13065 1 19 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.011 0.133 17849 13066 1 19 . 1 1 109 109 LEU C C 109 179.267 179.267 177.962 1.305 17849 13067 1 19 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.278 0.176 17849 13068 1 19 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.548 0.555 17849 13069 1 19 . 1 1 109 109 LEU H H 109 8.251 8.251 7.651 0.600 17849 13070 1 19 . 1 1 110 110 THR N N 110 111.046 111.046 111.602 -0.556 17849 13071 1 19 . 1 1 110 110 THR HA H 110 4.256 4.256 4.319 -0.063 17849 13072 1 19 . 1 1 110 110 THR C C 110 175.897 175.897 174.443 1.454 17849 13073 1 19 . 1 1 110 110 THR CA C 110 64.465 64.465 62.982 1.483 17849 13074 1 19 . 1 1 110 110 THR CB C 110 69.431 69.431 69.049 0.382 17849 13075 1 19 . 1 1 110 110 THR H H 110 8.085 8.085 7.734 0.351 17849 13076 1 19 . 1 1 111 111 SER N N 111 117.074 117.074 117.293 -0.219 17849 13077 1 19 . 1 1 111 111 SER HA H 111 4.406 4.406 4.010 0.396 17849 13078 1 19 . 1 1 111 111 SER C C 111 175.051 175.051 175.004 0.047 17849 13079 1 19 . 1 1 111 111 SER CA C 111 59.968 59.968 61.401 -1.433 17849 13080 1 19 . 1 1 111 111 SER CB C 111 63.391 63.391 63.715 -0.324 17849 13081 1 19 . 1 1 111 111 SER H H 111 7.681 7.681 7.511 0.170 17849 13082 1 19 . 1 1 112 112 ILE N N 112 119.783 119.783 115.218 4.565 17849 13083 1 19 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.769 0.322 17849 13084 1 19 . 1 1 112 112 ILE C C 112 177.040 177.040 175.182 1.858 17849 13085 1 19 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.810 0.714 17849 13086 1 19 . 1 1 112 112 ILE CB C 112 38.344 38.344 35.781 2.563 17849 13087 1 19 . 1 1 112 112 ILE H H 112 7.444 7.444 7.469 -0.025 17849 13088 1 19 . 1 1 113 113 GLY N N 113 110.432 110.432 109.209 1.223 17849 13089 1 19 . 1 1 113 113 GLY C C 113 174.442 174.442 174.594 -0.152 17849 13090 1 19 . 1 1 113 113 GLY CA C 113 45.643 45.643 45.103 0.540 17849 13091 1 19 . 1 1 113 113 GLY H H 113 8.148 8.148 8.023 0.125 17849 13092 1 19 . 1 1 114 114 GLU N N 114 120.374 120.374 122.862 -2.488 17849 13093 1 19 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.112 0.154 17849 13094 1 19 . 1 1 114 114 GLU C C 114 176.556 176.556 177.178 -0.622 17849 13095 1 19 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.780 -0.007 17849 13096 1 19 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.359 -0.069 17849 13097 1 19 . 1 1 114 114 GLU H H 114 8.092 8.092 8.121 -0.029 17849 13098 1 19 . 1 1 115 115 LYS N N 115 121.383 121.383 121.295 0.088 17849 13099 1 19 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.036 0.299 17849 13100 1 19 . 1 1 115 115 LYS C C 115 176.654 176.654 175.458 1.196 17849 13101 1 19 . 1 1 115 115 LYS CA C 115 56.299 56.299 57.350 -1.051 17849 13102 1 19 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.493 1.346 17849 13103 1 19 . 1 1 115 115 LYS H H 115 8.221 8.221 8.452 -0.231 17849 13104 1 19 . 1 1 116 116 LEU N N 116 123.146 123.146 129.018 -5.872 17849 13105 1 19 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.687 -0.266 17849 13106 1 19 . 1 1 116 116 LEU C C 116 177.677 177.677 177.233 0.444 17849 13107 1 19 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.856 0.464 17849 13108 1 19 . 1 1 116 116 LEU CB C 116 42.309 42.309 42.839 -0.530 17849 13109 1 19 . 1 1 116 116 LEU H H 116 8.265 8.265 8.376 -0.111 17849 13110 1 19 . 1 1 117 117 THR N N 117 113.859 113.859 110.407 3.452 17849 13111 1 19 . 1 1 117 117 THR HA H 117 4.337 4.337 4.528 -0.191 17849 13112 1 19 . 1 1 117 117 THR C C 117 174.535 174.535 173.556 0.979 17849 13113 1 19 . 1 1 117 117 THR CA C 117 61.824 61.824 60.483 1.341 17849 13114 1 19 . 1 1 117 117 THR CB C 117 70.096 70.096 71.075 -0.979 17849 13115 1 19 . 1 1 117 117 THR H H 117 8.182 8.182 7.854 0.328 17849 13116 1 19 . 1 1 118 118 ASP N N 118 122.049 122.049 119.297 2.752 17849 13117 1 19 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.653 -0.120 17849 13118 1 19 . 1 1 118 118 ASP C C 118 176.728 176.728 177.076 -0.348 17849 13119 1 19 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.318 -0.100 17849 13120 1 19 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.091 -0.239 17849 13121 1 19 . 1 1 118 118 ASP H H 118 8.367 8.367 8.582 -0.215 17849 13122 1 19 . 1 1 119 119 ALA N N 119 123.432 123.432 121.371 2.061 17849 13123 1 19 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.057 0.162 17849 13124 1 19 . 1 1 119 119 ALA C C 119 178.486 178.486 178.413 0.073 17849 13125 1 19 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.287 0.146 17849 13126 1 19 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.409 0.666 17849 13127 1 19 . 1 1 119 119 ALA H H 119 8.206 8.206 7.760 0.446 17849 13128 1 19 . 1 1 120 120 GLU N N 120 118.592 118.592 117.302 1.290 17849 13129 1 19 . 1 1 120 120 GLU HA H 120 4.182 4.182 3.984 0.198 17849 13130 1 19 . 1 1 120 120 GLU C C 120 177.133 177.133 177.628 -0.495 17849 13131 1 19 . 1 1 120 120 GLU CA C 120 57.105 57.105 59.041 -1.936 17849 13132 1 19 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.421 0.631 17849 13133 1 19 . 1 1 120 120 GLU H H 120 8.187 8.187 8.250 -0.063 17849 13134 1 19 . 1 1 121 121 LEU N N 121 121.427 121.427 112.889 8.538 17849 13135 1 19 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.554 -0.350 17849 13136 1 19 . 1 1 121 121 LEU C C 121 177.710 177.710 177.915 -0.205 17849 13137 1 19 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.010 0.742 17849 13138 1 19 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.962 -0.705 17849 13139 1 19 . 1 1 121 121 LEU H H 121 8.020 8.020 7.608 0.412 17849 13140 1 19 . 1 1 122 122 GLU N N 122 119.850 119.850 120.905 -1.055 17849 13141 1 19 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.925 0.202 17849 13142 1 19 . 1 1 122 122 GLU C C 122 176.518 176.518 174.943 1.575 17849 13143 1 19 . 1 1 122 122 GLU CA C 122 57.014 57.014 58.081 -1.067 17849 13144 1 19 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.812 0.243 17849 13145 1 19 . 1 1 122 122 GLU H H 122 8.118 8.118 7.775 0.343 17849 13146 1 19 . 1 1 123 123 HIS N N 123 118.817 118.817 120.111 -1.294 17849 13147 1 19 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.333 0.926 17849 13148 1 19 . 1 1 123 123 HIS H H 123 8.106 8.106 7.978 0.128 17849 13149 1 20 . 1 1 2 2 SER HA H 2 4.507 4.507 4.569 -0.062 17849 13150 1 20 . 1 1 2 2 SER CA C 2 58.342 58.342 58.745 -0.403 17849 13151 1 20 . 1 1 2 2 SER CB C 2 63.883 63.883 63.464 0.419 17849 13152 1 20 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.974 -0.210 17849 13153 1 20 . 1 1 3 3 ASN C C 3 174.784 174.784 173.856 0.928 17849 13154 1 20 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.455 0.670 17849 13155 1 20 . 1 1 3 3 ASN CB C 3 38.893 38.893 40.506 -1.613 17849 13156 1 20 . 1 1 4 4 LEU N N 4 121.466 121.466 122.959 -1.493 17849 13157 1 20 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.267 0.433 17849 13158 1 20 . 1 1 4 4 LEU C C 4 177.665 177.665 177.219 0.446 17849 13159 1 20 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.661 -1.149 17849 13160 1 20 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.224 1.415 17849 13161 1 20 . 1 1 4 4 LEU H H 4 8.097 8.097 8.439 -0.342 17849 13162 1 20 . 1 1 5 5 THR N N 5 112.990 112.990 114.979 -1.989 17849 13163 1 20 . 1 1 5 5 THR HA H 5 4.481 4.481 4.516 -0.035 17849 13164 1 20 . 1 1 5 5 THR C C 5 175.474 175.474 175.767 -0.293 17849 13165 1 20 . 1 1 5 5 THR CA C 5 60.528 60.528 60.208 0.320 17849 13166 1 20 . 1 1 5 5 THR CB C 5 71.244 71.244 71.438 -0.194 17849 13167 1 20 . 1 1 5 5 THR H H 5 8.778 8.778 8.105 0.673 17849 13168 1 20 . 1 1 6 6 GLU N N 6 120.343 120.343 121.561 -1.218 17849 13169 1 20 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.898 0.104 17849 13170 1 20 . 1 1 6 6 GLU C C 6 179.568 179.568 178.480 1.088 17849 13171 1 20 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.352 -0.176 17849 13172 1 20 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.069 0.156 17849 13173 1 20 . 1 1 6 6 GLU H H 6 9.078 9.078 8.946 0.132 17849 13174 1 20 . 1 1 7 7 GLU N N 7 119.544 119.544 120.458 -0.914 17849 13175 1 20 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.846 0.265 17849 13176 1 20 . 1 1 7 7 GLU C C 7 179.170 179.170 179.050 0.120 17849 13177 1 20 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.359 0.678 17849 13178 1 20 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.122 -0.005 17849 13179 1 20 . 1 1 7 7 GLU H H 7 8.820 8.820 8.162 0.658 17849 13180 1 20 . 1 1 8 8 GLN N N 8 119.824 119.824 118.101 1.723 17849 13181 1 20 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.631 0.533 17849 13182 1 20 . 1 1 8 8 GLN C C 8 179.652 179.652 178.186 1.466 17849 13183 1 20 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.495 0.257 17849 13184 1 20 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.282 1.457 17849 13185 1 20 . 1 1 8 8 GLN H H 8 7.812 7.812 7.343 0.469 17849 13186 1 20 . 1 1 9 9 ILE N N 9 120.978 120.978 119.822 1.156 17849 13187 1 20 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.645 0.207 17849 13188 1 20 . 1 1 9 9 ILE C C 9 177.899 177.899 178.254 -0.355 17849 13189 1 20 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.524 1.052 17849 13190 1 20 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.589 0.400 17849 13191 1 20 . 1 1 9 9 ILE H H 9 8.634 8.634 8.098 0.536 17849 13192 1 20 . 1 1 10 10 ALA N N 10 121.528 121.528 121.450 0.078 17849 13193 1 20 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.025 0.081 17849 13194 1 20 . 1 1 10 10 ALA C C 10 180.886 180.886 179.851 1.035 17849 13195 1 20 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.389 0.029 17849 13196 1 20 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.979 -0.204 17849 13197 1 20 . 1 1 10 10 ALA H H 10 8.142 8.142 8.302 -0.160 17849 13198 1 20 . 1 1 11 11 GLU N N 11 118.807 118.807 118.808 -0.001 17849 13199 1 20 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.066 0.148 17849 13200 1 20 . 1 1 11 11 GLU C C 11 180.292 180.292 179.187 1.105 17849 13201 1 20 . 1 1 11 11 GLU CA C 11 59.364 59.364 59.134 0.230 17849 13202 1 20 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.120 0.668 17849 13203 1 20 . 1 1 11 11 GLU H H 11 7.810 7.810 7.911 -0.101 17849 13204 1 20 . 1 1 12 12 PHE N N 12 118.671 118.671 118.622 0.049 17849 13205 1 20 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.450 0.197 17849 13206 1 20 . 1 1 12 12 PHE C C 12 179.032 179.032 178.396 0.636 17849 13207 1 20 . 1 1 12 12 PHE CA C 12 63.160 63.160 59.602 3.558 17849 13208 1 20 . 1 1 12 12 PHE CB C 12 39.015 39.015 37.889 1.126 17849 13209 1 20 . 1 1 12 12 PHE H H 12 8.432 8.432 8.385 0.047 17849 13210 1 20 . 1 1 13 13 LYS N N 13 123.536 123.536 118.861 4.675 17849 13211 1 20 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.261 -0.421 17849 13212 1 20 . 1 1 13 13 LYS C C 13 179.114 179.114 179.199 -0.085 17849 13213 1 20 . 1 1 13 13 LYS CA C 13 60.088 60.088 59.918 0.170 17849 13214 1 20 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.233 -0.581 17849 13215 1 20 . 1 1 13 13 LYS H H 13 8.981 8.981 8.553 0.428 17849 13216 1 20 . 1 1 14 14 GLU N N 14 119.691 119.691 119.715 -0.024 17849 13217 1 20 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.364 -0.267 17849 13218 1 20 . 1 1 14 14 GLU C C 14 179.285 179.285 178.508 0.777 17849 13219 1 20 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.465 0.780 17849 13220 1 20 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.806 -0.165 17849 13221 1 20 . 1 1 14 14 GLU H H 14 7.737 7.737 7.803 -0.066 17849 13222 1 20 . 1 1 15 15 ALA N N 15 120.127 120.127 123.490 -3.363 17849 13223 1 20 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.153 0.014 17849 13224 1 20 . 1 1 15 15 ALA C C 15 178.607 178.607 179.832 -1.225 17849 13225 1 20 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.352 -0.293 17849 13226 1 20 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.579 0.552 17849 13227 1 20 . 1 1 15 15 ALA H H 15 7.747 7.747 8.032 -0.285 17849 13228 1 20 . 1 1 16 16 PHE N N 16 119.058 119.058 118.558 0.500 17849 13229 1 20 . 1 1 16 16 PHE HA H 16 3.307 3.307 4.028 -0.721 17849 13230 1 20 . 1 1 16 16 PHE C C 16 177.236 177.236 176.998 0.238 17849 13231 1 20 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.578 1.127 17849 13232 1 20 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.024 0.728 17849 13233 1 20 . 1 1 16 16 PHE H H 16 8.908 8.908 8.895 0.013 17849 13234 1 20 . 1 1 17 17 ALA N N 17 119.352 119.352 121.956 -2.604 17849 13235 1 20 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.136 -0.013 17849 13236 1 20 . 1 1 17 17 ALA C C 17 178.680 178.680 178.925 -0.245 17849 13237 1 20 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.872 -0.333 17849 13238 1 20 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.634 -0.419 17849 13239 1 20 . 1 1 17 17 ALA H H 17 7.877 7.877 7.876 0.001 17849 13240 1 20 . 1 1 18 18 LEU N N 18 115.281 115.281 117.466 -2.185 17849 13241 1 20 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.182 -0.127 17849 13242 1 20 . 1 1 18 18 LEU C C 18 178.393 178.393 178.450 -0.057 17849 13243 1 20 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.573 -0.931 17849 13244 1 20 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.966 -0.223 17849 13245 1 20 . 1 1 18 18 LEU H H 18 7.369 7.369 8.213 -0.844 17849 13246 1 20 . 1 1 19 19 PHE N N 19 115.719 115.719 115.473 0.246 17849 13247 1 20 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.348 -0.139 17849 13248 1 20 . 1 1 19 19 PHE C C 19 176.704 176.704 176.045 0.659 17849 13249 1 20 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.569 -0.335 17849 13250 1 20 . 1 1 19 19 PHE CB C 19 41.670 41.670 39.706 1.964 17849 13251 1 20 . 1 1 19 19 PHE H H 19 7.468 7.468 8.061 -0.593 17849 13252 1 20 . 1 1 20 20 ASP N N 20 117.209 117.209 119.253 -2.044 17849 13253 1 20 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.667 -0.206 17849 13254 1 20 . 1 1 20 20 ASP C C 20 176.557 176.557 176.399 0.158 17849 13255 1 20 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.927 -2.682 17849 13256 1 20 . 1 1 20 20 ASP CB C 20 39.147 39.147 42.342 -3.195 17849 13257 1 20 . 1 1 20 20 ASP H H 20 7.488 7.488 8.162 -0.674 17849 13258 1 20 . 1 1 21 21 LYS N N 21 124.086 124.086 124.374 -0.288 17849 13259 1 20 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.198 -0.200 17849 13260 1 20 . 1 1 21 21 LYS C C 21 177.844 177.844 177.478 0.366 17849 13261 1 20 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.152 0.156 17849 13262 1 20 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.701 -0.249 17849 13263 1 20 . 1 1 21 21 LYS H H 21 7.376 7.376 8.496 -1.120 17849 13264 1 20 . 1 1 22 22 ASP N N 22 114.097 114.097 115.786 -1.689 17849 13265 1 20 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.590 0.014 17849 13266 1 20 . 1 1 22 22 ASP C C 22 176.349 176.349 176.059 0.290 17849 13267 1 20 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.385 -0.681 17849 13268 1 20 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.583 -1.228 17849 13269 1 20 . 1 1 22 22 ASP H H 22 8.113 8.113 8.267 -0.154 17849 13270 1 20 . 1 1 23 23 ASN N N 23 115.562 115.562 118.380 -2.818 17849 13271 1 20 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.517 -0.122 17849 13272 1 20 . 1 1 23 23 ASN C C 23 174.864 174.864 174.839 0.025 17849 13273 1 20 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.650 0.750 17849 13274 1 20 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.815 0.109 17849 13275 1 20 . 1 1 23 23 ASN H H 23 8.048 8.048 8.531 -0.483 17849 13276 1 20 . 1 1 24 24 ASN N N 24 117.615 117.615 118.656 -1.041 17849 13277 1 20 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.784 0.051 17849 13278 1 20 . 1 1 24 24 ASN C C 24 177.445 177.445 176.351 1.094 17849 13279 1 20 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.598 -1.183 17849 13280 1 20 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.346 -0.865 17849 13281 1 20 . 1 1 24 24 ASN H H 24 8.517 8.517 8.986 -0.469 17849 13282 1 20 . 1 1 25 25 GLY N N 25 114.308 114.308 107.800 6.508 17849 13283 1 20 . 1 1 25 25 GLY C C 25 173.105 173.105 173.455 -0.350 17849 13284 1 20 . 1 1 25 25 GLY CA C 25 45.480 45.480 44.846 0.634 17849 13285 1 20 . 1 1 25 25 GLY H H 25 10.729 10.729 8.890 1.839 17849 13286 1 20 . 1 1 26 26 SER N N 26 113.267 113.267 117.795 -4.528 17849 13287 1 20 . 1 1 26 26 SER HA H 26 5.330 5.330 5.518 -0.188 17849 13288 1 20 . 1 1 26 26 SER C C 26 172.610 172.610 173.944 -1.334 17849 13289 1 20 . 1 1 26 26 SER CA C 26 57.375 57.375 57.030 0.345 17849 13290 1 20 . 1 1 26 26 SER CB C 26 66.504 66.504 65.424 1.081 17849 13291 1 20 . 1 1 26 26 SER H H 26 7.773 7.773 8.169 -0.396 17849 13292 1 20 . 1 1 27 27 ILE N N 27 127.124 127.124 125.834 1.290 17849 13293 1 20 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.769 0.119 17849 13294 1 20 . 1 1 27 27 ILE C C 27 175.876 175.876 175.440 0.436 17849 13295 1 20 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.406 -0.369 17849 13296 1 20 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.458 -1.562 17849 13297 1 20 . 1 1 27 27 ILE H H 27 9.848 9.848 8.151 1.697 17849 13298 1 20 . 1 1 28 28 SER N N 28 124.825 124.825 119.533 5.292 17849 13299 1 20 . 1 1 28 28 SER HA H 28 4.771 4.771 5.181 -0.410 17849 13300 1 20 . 1 1 28 28 SER C C 28 175.395 175.395 175.510 -0.115 17849 13301 1 20 . 1 1 28 28 SER CA C 28 56.680 56.680 55.285 1.395 17849 13302 1 20 . 1 1 28 28 SER CB C 28 66.154 66.154 65.445 0.709 17849 13303 1 20 . 1 1 28 28 SER H H 28 9.347 9.347 8.687 0.660 17849 13304 1 20 . 1 1 29 29 SER N N 29 116.882 116.882 121.355 -4.473 17849 13305 1 20 . 1 1 29 29 SER HA H 29 4.144 4.144 4.282 -0.138 17849 13306 1 20 . 1 1 29 29 SER C C 29 176.516 176.516 176.243 0.273 17849 13307 1 20 . 1 1 29 29 SER CA C 29 62.634 62.634 61.569 1.065 17849 13308 1 20 . 1 1 29 29 SER CB C 29 62.227 62.227 62.763 -0.536 17849 13309 1 20 . 1 1 29 29 SER H H 29 9.604 9.604 9.218 0.386 17849 13310 1 20 . 1 1 30 30 SER N N 30 116.141 116.141 117.155 -1.014 17849 13311 1 20 . 1 1 30 30 SER HA H 30 4.327 4.327 4.134 0.193 17849 13312 1 20 . 1 1 30 30 SER C C 30 177.965 177.965 176.489 1.476 17849 13313 1 20 . 1 1 30 30 SER CA C 30 61.341 61.341 61.717 -0.376 17849 13314 1 20 . 1 1 30 30 SER CB C 30 62.429 62.429 63.208 -0.779 17849 13315 1 20 . 1 1 30 30 SER H H 30 8.184 8.184 7.546 0.638 17849 13316 1 20 . 1 1 31 31 GLU N N 31 124.933 124.933 122.898 2.035 17849 13317 1 20 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.116 -0.025 17849 13318 1 20 . 1 1 31 31 GLU C C 31 179.355 179.355 178.524 0.831 17849 13319 1 20 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.719 0.723 17849 13320 1 20 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.298 0.037 17849 13321 1 20 . 1 1 31 31 GLU H H 31 7.973 7.973 8.048 -0.075 17849 13322 1 20 . 1 1 32 32 LEU N N 32 120.778 120.778 120.837 -0.059 17849 13323 1 20 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.146 0.021 17849 13324 1 20 . 1 1 32 32 LEU C C 32 178.364 178.364 178.618 -0.254 17849 13325 1 20 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.819 0.528 17849 13326 1 20 . 1 1 32 32 LEU CB C 32 42.111 42.111 42.072 0.039 17849 13327 1 20 . 1 1 32 32 LEU H H 32 8.616 8.616 8.176 0.440 17849 13328 1 20 . 1 1 33 33 ALA N N 33 120.423 120.423 121.449 -1.026 17849 13329 1 20 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.900 -0.024 17849 13330 1 20 . 1 1 33 33 ALA C C 33 179.394 179.394 179.429 -0.035 17849 13331 1 20 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.347 0.440 17849 13332 1 20 . 1 1 33 33 ALA CB C 33 18.518 18.518 17.996 0.522 17849 13333 1 20 . 1 1 33 33 ALA H H 33 8.688 8.688 8.564 0.124 17849 13334 1 20 . 1 1 34 34 THR N N 34 114.299 114.299 114.474 -0.175 17849 13335 1 20 . 1 1 34 34 THR HA H 34 3.902 3.902 3.924 -0.022 17849 13336 1 20 . 1 1 34 34 THR C C 34 177.161 177.161 176.324 0.837 17849 13337 1 20 . 1 1 34 34 THR CA C 34 67.173 67.173 66.445 0.728 17849 13338 1 20 . 1 1 34 34 THR CB C 34 68.712 68.712 68.826 -0.114 17849 13339 1 20 . 1 1 34 34 THR H H 34 8.219 8.219 8.021 0.198 17849 13340 1 20 . 1 1 35 35 VAL N N 35 122.638 122.638 119.579 3.059 17849 13341 1 20 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.744 -0.160 17849 13342 1 20 . 1 1 35 35 VAL C C 35 178.403 178.403 177.776 0.627 17849 13343 1 20 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.858 1.026 17849 13344 1 20 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.662 -0.301 17849 13345 1 20 . 1 1 35 35 VAL H H 35 7.791 7.791 8.096 -0.305 17849 13346 1 20 . 1 1 36 36 MET N N 36 117.307 117.307 119.761 -2.454 17849 13347 1 20 . 1 1 36 36 MET HA H 36 3.906 3.906 4.112 -0.206 17849 13348 1 20 . 1 1 36 36 MET C C 36 178.456 178.456 178.033 0.423 17849 13349 1 20 . 1 1 36 36 MET CA C 36 59.787 59.787 58.560 1.227 17849 13350 1 20 . 1 1 36 36 MET CB C 36 32.548 32.548 31.659 0.889 17849 13351 1 20 . 1 1 36 36 MET H H 36 8.308 8.308 7.451 0.857 17849 13352 1 20 . 1 1 37 37 ARG N N 37 118.384 118.384 117.002 1.382 17849 13353 1 20 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.442 0.315 17849 13354 1 20 . 1 1 37 37 ARG C C 37 181.371 181.371 178.658 2.713 17849 13355 1 20 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.554 0.333 17849 13356 1 20 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.403 0.695 17849 13357 1 20 . 1 1 37 37 ARG H H 37 8.634 8.634 8.305 0.329 17849 13358 1 20 . 1 1 38 38 SER N N 38 118.916 118.916 113.916 5.000 17849 13359 1 20 . 1 1 38 38 SER HA H 38 4.339 4.339 4.345 -0.006 17849 13360 1 20 . 1 1 38 38 SER C C 38 174.705 174.705 174.942 -0.237 17849 13361 1 20 . 1 1 38 38 SER CA C 38 61.793 61.793 59.421 2.372 17849 13362 1 20 . 1 1 38 38 SER CB C 38 62.713 62.713 62.964 -0.251 17849 13363 1 20 . 1 1 38 38 SER H H 38 8.226 8.226 7.556 0.670 17849 13364 1 20 . 1 1 39 39 LEU N N 39 119.948 119.948 119.728 0.220 17849 13365 1 20 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.318 -0.022 17849 13366 1 20 . 1 1 39 39 LEU C C 39 176.723 176.723 177.643 -0.920 17849 13367 1 20 . 1 1 39 39 LEU CA C 39 54.560 54.560 56.141 -1.581 17849 13368 1 20 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.782 -0.793 17849 13369 1 20 . 1 1 39 39 LEU H H 39 7.331 7.331 7.818 -0.487 17849 13370 1 20 . 1 1 40 40 GLY N N 40 105.997 105.997 105.519 0.478 17849 13371 1 20 . 1 1 40 40 GLY C C 40 174.405 174.405 173.418 0.987 17849 13372 1 20 . 1 1 40 40 GLY CA C 40 45.188 45.188 44.812 0.376 17849 13373 1 20 . 1 1 40 40 GLY H H 40 7.889 7.889 7.765 0.124 17849 13374 1 20 . 1 1 41 41 LEU N N 41 120.071 120.071 113.518 6.553 17849 13375 1 20 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.806 -0.320 17849 13376 1 20 . 1 1 41 41 LEU C C 41 175.829 175.829 174.578 1.251 17849 13377 1 20 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.713 0.474 17849 13378 1 20 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.945 -1.372 17849 13379 1 20 . 1 1 41 41 LEU H H 41 7.592 7.592 7.225 0.367 17849 13380 1 20 . 1 1 42 42 SER N N 42 112.869 112.869 114.503 -1.634 17849 13381 1 20 . 1 1 42 42 SER HA H 42 4.797 4.797 4.866 -0.069 17849 13382 1 20 . 1 1 42 42 SER CA C 42 54.960 54.960 55.358 -0.398 17849 13383 1 20 . 1 1 42 42 SER CB C 42 63.177 63.177 63.458 -0.281 17849 13384 1 20 . 1 1 42 42 SER H H 42 8.761 8.761 8.472 0.289 17849 13385 1 20 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.601 0.107 17849 13386 1 20 . 1 1 43 43 PRO C C 43 177.533 177.533 175.910 1.623 17849 13387 1 20 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.536 -0.361 17849 13388 1 20 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.738 -0.864 17849 13389 1 20 . 1 1 44 44 SER N N 44 119.089 119.089 118.063 1.026 17849 13390 1 20 . 1 1 44 44 SER HA H 44 4.574 4.574 4.557 0.017 17849 13391 1 20 . 1 1 44 44 SER C C 44 174.803 174.803 175.667 -0.864 17849 13392 1 20 . 1 1 44 44 SER CA C 44 56.786 56.786 56.796 -0.010 17849 13393 1 20 . 1 1 44 44 SER CB C 44 65.387 65.387 65.300 0.087 17849 13394 1 20 . 1 1 44 44 SER H H 44 9.014 9.014 8.168 0.846 17849 13395 1 20 . 1 1 45 45 GLU N N 45 121.343 121.343 126.074 -4.731 17849 13396 1 20 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.854 0.090 17849 13397 1 20 . 1 1 45 45 GLU C C 45 178.978 178.978 178.021 0.957 17849 13398 1 20 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.781 0.325 17849 13399 1 20 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.741 -0.438 17849 13400 1 20 . 1 1 45 45 GLU H H 45 8.925 8.925 9.127 -0.202 17849 13401 1 20 . 1 1 46 46 ALA N N 46 120.822 120.822 121.183 -0.361 17849 13402 1 20 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.203 -0.057 17849 13403 1 20 . 1 1 46 46 ALA C C 46 179.782 179.782 179.851 -0.069 17849 13404 1 20 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.750 0.336 17849 13405 1 20 . 1 1 46 46 ALA CB C 46 18.256 18.256 18.008 0.248 17849 13406 1 20 . 1 1 46 46 ALA H H 46 8.339 8.339 8.350 -0.011 17849 13407 1 20 . 1 1 47 47 GLU N N 47 118.432 118.432 119.037 -0.605 17849 13408 1 20 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.067 0.007 17849 13409 1 20 . 1 1 47 47 GLU C C 47 180.222 180.222 179.087 1.135 17849 13410 1 20 . 1 1 47 47 GLU CA C 47 59.209 59.209 59.072 0.137 17849 13411 1 20 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.432 0.453 17849 13412 1 20 . 1 1 47 47 GLU H H 47 7.759 7.759 7.997 -0.238 17849 13413 1 20 . 1 1 48 48 VAL N N 48 120.023 120.023 120.221 -0.198 17849 13414 1 20 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.668 -0.170 17849 13415 1 20 . 1 1 48 48 VAL C C 48 177.380 177.380 177.933 -0.553 17849 13416 1 20 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.816 0.442 17849 13417 1 20 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.586 -0.225 17849 13418 1 20 . 1 1 48 48 VAL H H 48 8.174 8.174 8.623 -0.449 17849 13419 1 20 . 1 1 49 49 ASN N N 49 118.475 118.475 117.897 0.578 17849 13420 1 20 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.392 0.013 17849 13421 1 20 . 1 1 49 49 ASN C C 49 177.352 177.352 177.322 0.030 17849 13422 1 20 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.413 0.297 17849 13423 1 20 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.032 0.238 17849 13424 1 20 . 1 1 49 49 ASN H H 49 8.208 8.208 8.361 -0.153 17849 13425 1 20 . 1 1 50 50 ASP N N 50 120.147 120.147 120.605 -0.458 17849 13426 1 20 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.405 0.077 17849 13427 1 20 . 1 1 50 50 ASP C C 50 178.973 178.973 178.315 0.658 17849 13428 1 20 . 1 1 50 50 ASP CA C 50 57.440 57.440 57.190 0.250 17849 13429 1 20 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.911 -0.731 17849 13430 1 20 . 1 1 50 50 ASP H H 50 8.400 8.400 7.682 0.718 17849 13431 1 20 . 1 1 51 51 LEU N N 51 121.706 121.706 119.526 2.180 17849 13432 1 20 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.213 -0.105 17849 13433 1 20 . 1 1 51 51 LEU C C 51 178.796 178.796 179.059 -0.263 17849 13434 1 20 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.261 0.871 17849 13435 1 20 . 1 1 51 51 LEU CB C 51 41.890 41.890 42.157 -0.267 17849 13436 1 20 . 1 1 51 51 LEU H H 51 7.830 7.830 8.183 -0.353 17849 13437 1 20 . 1 1 52 52 MET N N 52 117.267 117.267 116.952 0.315 17849 13438 1 20 . 1 1 52 52 MET HA H 52 4.145 4.145 4.274 -0.129 17849 13439 1 20 . 1 1 52 52 MET C C 52 178.260 178.260 178.641 -0.381 17849 13440 1 20 . 1 1 52 52 MET CA C 52 57.418 57.418 56.910 0.508 17849 13441 1 20 . 1 1 52 52 MET CB C 52 30.089 30.089 31.133 -1.044 17849 13442 1 20 . 1 1 52 52 MET H H 52 8.601 8.601 8.688 -0.087 17849 13443 1 20 . 1 1 53 53 ASN N N 53 115.368 115.368 118.614 -3.246 17849 13444 1 20 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.454 0.119 17849 13445 1 20 . 1 1 53 53 ASN C C 53 176.890 176.890 176.089 0.801 17849 13446 1 20 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.083 -0.751 17849 13447 1 20 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.314 -0.160 17849 13448 1 20 . 1 1 53 53 ASN H H 53 8.239 8.239 7.945 0.294 17849 13449 1 20 . 1 1 54 54 GLU N N 54 117.437 117.437 117.151 0.286 17849 13450 1 20 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.079 0.171 17849 13451 1 20 . 1 1 54 54 GLU C C 54 177.019 177.019 177.893 -0.874 17849 13452 1 20 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.492 -0.805 17849 13453 1 20 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.439 0.654 17849 13454 1 20 . 1 1 54 54 GLU H H 54 7.625 7.625 8.100 -0.475 17849 13455 1 20 . 1 1 55 55 ILE N N 55 117.098 117.098 116.108 0.990 17849 13456 1 20 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.811 0.090 17849 13457 1 20 . 1 1 55 55 ILE C C 55 176.027 176.027 176.071 -0.044 17849 13458 1 20 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.426 -0.789 17849 13459 1 20 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.196 1.840 17849 13460 1 20 . 1 1 55 55 ILE H H 55 7.496 7.496 7.220 0.276 17849 13461 1 20 . 1 1 56 56 ASP N N 56 118.367 118.367 119.917 -1.550 17849 13462 1 20 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.601 -0.184 17849 13463 1 20 . 1 1 56 56 ASP C C 56 175.761 175.761 176.065 -0.304 17849 13464 1 20 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.988 -0.581 17849 13465 1 20 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.248 -0.015 17849 13466 1 20 . 1 1 56 56 ASP H H 56 8.329 8.329 7.685 0.644 17849 13467 1 20 . 1 1 57 57 VAL N N 57 126.262 126.262 123.420 2.842 17849 13468 1 20 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.963 0.043 17849 13469 1 20 . 1 1 57 57 VAL C C 57 177.253 177.253 176.453 0.800 17849 13470 1 20 . 1 1 57 57 VAL CA C 57 64.225 64.225 64.147 0.078 17849 13471 1 20 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.548 0.638 17849 13472 1 20 . 1 1 57 57 VAL H H 57 8.116 8.116 8.499 -0.383 17849 13473 1 20 . 1 1 58 58 ASP N N 58 116.896 116.896 118.283 -1.387 17849 13474 1 20 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.630 -0.058 17849 13475 1 20 . 1 1 58 58 ASP C C 58 177.670 177.670 176.810 0.860 17849 13476 1 20 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.795 0.010 17849 13477 1 20 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.249 -1.256 17849 13478 1 20 . 1 1 58 58 ASP H H 58 8.356 8.356 8.149 0.207 17849 13479 1 20 . 1 1 59 59 GLY N N 59 107.989 107.989 108.723 -0.734 17849 13480 1 20 . 1 1 59 59 GLY C C 59 174.661 174.661 175.121 -0.460 17849 13481 1 20 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.172 1.907 17849 13482 1 20 . 1 1 59 59 GLY H H 59 7.622 7.622 8.397 -0.775 17849 13483 1 20 . 1 1 60 60 ASN N N 60 118.703 118.703 118.415 0.288 17849 13484 1 20 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.414 0.128 17849 13485 1 20 . 1 1 60 60 ASN C C 60 175.787 175.787 174.121 1.666 17849 13486 1 20 . 1 1 60 60 ASN CA C 60 52.283 52.283 51.917 0.366 17849 13487 1 20 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.273 -1.089 17849 13488 1 20 . 1 1 60 60 ASN H H 60 8.096 8.096 8.642 -0.546 17849 13489 1 20 . 1 1 61 61 HIS N N 61 117.475 117.475 110.515 6.960 17849 13490 1 20 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.340 -0.472 17849 13491 1 20 . 1 1 61 61 HIS C C 61 172.407 172.407 173.089 -0.682 17849 13492 1 20 . 1 1 61 61 HIS CA C 61 56.428 56.428 56.652 -0.224 17849 13493 1 20 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.226 0.747 17849 13494 1 20 . 1 1 61 61 HIS H H 61 9.998 9.998 8.565 1.433 17849 13495 1 20 . 1 1 62 62 GLN N N 62 112.629 112.629 116.217 -3.588 17849 13496 1 20 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.292 -0.483 17849 13497 1 20 . 1 1 62 62 GLN C C 62 174.654 174.654 174.675 -0.021 17849 13498 1 20 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.641 -0.833 17849 13499 1 20 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.750 -0.625 17849 13500 1 20 . 1 1 62 62 GLN H H 62 7.541 7.541 8.216 -0.675 17849 13501 1 20 . 1 1 63 63 ILE N N 63 123.800 123.800 125.280 -1.480 17849 13502 1 20 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.353 0.693 17849 13503 1 20 . 1 1 63 63 ILE C C 63 176.626 176.626 175.686 0.940 17849 13504 1 20 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.345 1.548 17849 13505 1 20 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.424 1.756 17849 13506 1 20 . 1 1 63 63 ILE H H 63 9.312 9.312 8.718 0.594 17849 13507 1 20 . 1 1 64 64 GLU N N 64 128.941 128.941 127.679 1.262 17849 13508 1 20 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.731 0.245 17849 13509 1 20 . 1 1 64 64 GLU C C 64 178.001 178.001 177.406 0.595 17849 13510 1 20 . 1 1 64 64 GLU CA C 64 57.720 57.720 54.998 2.722 17849 13511 1 20 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.258 -1.030 17849 13512 1 20 . 1 1 64 64 GLU H H 64 8.846 8.846 7.928 0.918 17849 13513 1 20 . 1 1 65 65 PHE N N 65 124.119 124.119 122.863 1.256 17849 13514 1 20 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.236 -0.710 17849 13515 1 20 . 1 1 65 65 PHE C C 65 176.981 176.981 176.683 0.298 17849 13516 1 20 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.351 0.913 17849 13517 1 20 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.277 -1.453 17849 13518 1 20 . 1 1 65 65 PHE H H 65 9.488 9.488 9.038 0.450 17849 13519 1 20 . 1 1 66 66 SER N N 66 112.445 112.445 114.066 -1.621 17849 13520 1 20 . 1 1 66 66 SER HA H 66 3.667 3.667 4.246 -0.579 17849 13521 1 20 . 1 1 66 66 SER C C 66 177.385 177.385 176.327 1.058 17849 13522 1 20 . 1 1 66 66 SER CA C 66 61.503 61.503 61.743 -0.240 17849 13523 1 20 . 1 1 66 66 SER CB C 66 61.285 61.285 63.279 -1.994 17849 13524 1 20 . 1 1 66 66 SER H H 66 8.972 8.972 8.460 0.512 17849 13525 1 20 . 1 1 67 67 GLU N N 67 122.775 122.775 123.382 -0.607 17849 13526 1 20 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.004 0.116 17849 13527 1 20 . 1 1 67 67 GLU C C 67 178.567 178.567 179.025 -0.458 17849 13528 1 20 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.180 -1.337 17849 13529 1 20 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.515 -0.266 17849 13530 1 20 . 1 1 67 67 GLU H H 67 6.799 6.799 8.227 -1.428 17849 13531 1 20 . 1 1 68 68 PHE N N 68 123.231 123.231 119.985 3.246 17849 13532 1 20 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.078 -0.247 17849 13533 1 20 . 1 1 68 68 PHE C C 68 175.936 175.936 177.289 -1.353 17849 13534 1 20 . 1 1 68 68 PHE CA C 68 61.116 61.116 60.918 0.198 17849 13535 1 20 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.210 1.005 17849 13536 1 20 . 1 1 68 68 PHE H H 68 8.176 8.176 8.741 -0.565 17849 13537 1 20 . 1 1 69 69 LEU N N 69 118.554 118.554 118.430 0.124 17849 13538 1 20 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.327 -0.161 17849 13539 1 20 . 1 1 69 69 LEU C C 69 179.074 179.074 178.190 0.884 17849 13540 1 20 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.859 -0.727 17849 13541 1 20 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.322 -0.056 17849 13542 1 20 . 1 1 69 69 LEU H H 69 8.626 8.626 7.494 1.132 17849 13543 1 20 . 1 1 70 70 ALA N N 70 120.878 120.878 120.831 0.047 17849 13544 1 20 . 1 1 70 70 ALA HA H 70 3.885 3.885 4.020 -0.135 17849 13545 1 20 . 1 1 70 70 ALA C C 70 179.914 179.914 180.233 -0.319 17849 13546 1 20 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.532 0.438 17849 13547 1 20 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.621 -0.844 17849 13548 1 20 . 1 1 70 70 ALA H H 70 7.322 7.322 7.376 -0.054 17849 13549 1 20 . 1 1 71 71 LEU N N 71 118.871 118.871 118.918 -0.047 17849 13550 1 20 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.799 0.129 17849 13551 1 20 . 1 1 71 71 LEU C C 71 178.009 178.009 178.884 -0.875 17849 13552 1 20 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.551 0.193 17849 13553 1 20 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.024 0.388 17849 13554 1 20 . 1 1 71 71 LEU H H 71 7.219 7.219 7.952 -0.733 17849 13555 1 20 . 1 1 72 72 MET N N 72 113.480 113.480 115.390 -1.910 17849 13556 1 20 . 1 1 72 72 MET HA H 72 4.165 4.165 4.016 0.148 17849 13557 1 20 . 1 1 72 72 MET CA C 72 55.413 55.413 57.707 -2.294 17849 13558 1 20 . 1 1 72 72 MET CB C 72 31.199 31.199 32.368 -1.169 17849 13559 1 20 . 1 1 72 72 MET H H 72 7.486 7.486 7.254 0.232 17849 13560 1 20 . 1 1 73 73 SER HA H 73 4.337 4.337 4.615 -0.278 17849 13561 1 20 . 1 1 73 73 SER C C 73 174.241 174.241 175.399 -1.158 17849 13562 1 20 . 1 1 73 73 SER CA C 73 59.132 59.132 57.916 1.216 17849 13563 1 20 . 1 1 73 73 SER CB C 73 63.649 63.649 64.564 -0.915 17849 13564 1 20 . 1 1 73 73 SER H H 73 7.699 7.699 7.797 -0.098 17849 13565 1 20 . 1 1 74 74 ARG N N 74 121.213 121.213 120.637 0.576 17849 13566 1 20 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.004 0.207 17849 13567 1 20 . 1 1 74 74 ARG C C 74 175.638 175.638 175.725 -0.087 17849 13568 1 20 . 1 1 74 74 ARG CA C 74 56.850 56.850 58.326 -1.476 17849 13569 1 20 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.458 0.214 17849 13570 1 20 . 1 1 74 74 ARG H H 74 7.400 7.400 7.610 -0.210 17849 13571 1 20 . 1 1 75 75 GLN N N 75 118.914 118.914 115.850 3.064 17849 13572 1 20 . 1 1 75 75 GLN CB C 75 29.315 29.315 27.092 2.223 17849 13573 1 20 . 1 1 75 75 GLN H H 75 8.090 8.090 8.117 -0.027 17849 13574 1 20 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.201 0.186 17849 13575 1 20 . 1 1 77 77 LYS C C 77 176.410 176.410 175.831 0.579 17849 13576 1 20 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.376 -0.334 17849 13577 1 20 . 1 1 77 77 LYS CB C 77 33.157 33.157 32.892 0.265 17849 13578 1 20 . 1 1 78 78 SER N N 78 116.257 116.257 119.471 -3.214 17849 13579 1 20 . 1 1 78 78 SER HA H 78 4.422 4.422 4.379 0.043 17849 13580 1 20 . 1 1 78 78 SER C C 78 174.436 174.436 174.171 0.265 17849 13581 1 20 . 1 1 78 78 SER CA C 78 58.366 58.366 59.251 -0.885 17849 13582 1 20 . 1 1 78 78 SER CB C 78 63.855 63.855 63.268 0.587 17849 13583 1 20 . 1 1 78 78 SER H H 78 8.332 8.332 8.488 -0.156 17849 13584 1 20 . 1 1 79 79 ASN N N 79 120.267 120.267 120.804 -0.537 17849 13585 1 20 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.539 0.188 17849 13586 1 20 . 1 1 79 79 ASN C C 79 174.966 174.966 174.123 0.843 17849 13587 1 20 . 1 1 79 79 ASN CA C 79 53.467 53.467 54.023 -0.556 17849 13588 1 20 . 1 1 79 79 ASN CB C 79 38.869 38.869 36.610 2.259 17849 13589 1 20 . 1 1 79 79 ASN H H 79 8.548 8.548 8.831 -0.283 17849 13590 1 20 . 1 1 80 80 ASP N N 80 119.659 119.659 118.731 0.928 17849 13591 1 20 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.600 0.017 17849 13592 1 20 . 1 1 80 80 ASP C C 80 176.412 176.412 175.892 0.520 17849 13593 1 20 . 1 1 80 80 ASP CA C 80 54.710 54.710 53.659 1.051 17849 13594 1 20 . 1 1 80 80 ASP CB C 80 41.223 41.223 42.174 -0.951 17849 13595 1 20 . 1 1 80 80 ASP H H 80 8.325 8.325 7.800 0.525 17849 13596 1 20 . 1 1 81 81 SER N N 81 115.425 115.425 114.760 0.665 17849 13597 1 20 . 1 1 81 81 SER HA H 81 4.414 4.414 4.497 -0.083 17849 13598 1 20 . 1 1 81 81 SER C C 81 174.733 174.733 174.306 0.427 17849 13599 1 20 . 1 1 81 81 SER CA C 81 59.183 59.183 59.470 -0.287 17849 13600 1 20 . 1 1 81 81 SER CB C 81 63.784 63.784 63.590 0.194 17849 13601 1 20 . 1 1 81 81 SER H H 81 8.256 8.256 8.461 -0.205 17849 13602 1 20 . 1 1 82 82 GLU N N 82 121.456 121.456 121.246 0.210 17849 13603 1 20 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.347 -0.024 17849 13604 1 20 . 1 1 82 82 GLU C C 82 176.385 176.385 177.153 -0.768 17849 13605 1 20 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.221 -0.493 17849 13606 1 20 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.873 -0.001 17849 13607 1 20 . 1 1 82 82 GLU H H 82 8.375 8.375 8.150 0.225 17849 13608 1 20 . 1 1 83 83 GLN N N 83 120.069 120.069 118.723 1.346 17849 13609 1 20 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.267 0.038 17849 13610 1 20 . 1 1 83 83 GLN C C 83 176.054 176.054 177.372 -1.318 17849 13611 1 20 . 1 1 83 83 GLN CA C 83 56.147 56.147 57.441 -1.294 17849 13612 1 20 . 1 1 83 83 GLN CB C 83 29.303 29.303 27.846 1.458 17849 13613 1 20 . 1 1 83 83 GLN H H 83 8.233 8.233 8.452 -0.219 17849 13614 1 20 . 1 1 84 84 GLU N N 84 122.390 122.390 121.707 0.683 17849 13615 1 20 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.268 0.023 17849 13616 1 20 . 1 1 84 84 GLU C C 84 177.528 177.528 176.704 0.824 17849 13617 1 20 . 1 1 84 84 GLU CA C 84 57.198 57.198 59.161 -1.963 17849 13618 1 20 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.190 0.923 17849 13619 1 20 . 1 1 84 84 GLU H H 84 8.567 8.567 8.660 -0.093 17849 13620 1 20 . 1 1 85 85 LEU N N 85 122.788 122.788 119.379 3.409 17849 13621 1 20 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.358 -0.163 17849 13622 1 20 . 1 1 85 85 LEU CA C 85 56.517 56.517 54.314 2.203 17849 13623 1 20 . 1 1 85 85 LEU CB C 85 42.416 42.416 40.539 1.877 17849 13624 1 20 . 1 1 85 85 LEU H H 85 8.434 8.434 7.387 1.047 17849 13625 1 20 . 1 1 86 86 LEU N N 86 119.558 119.558 119.301 0.257 17849 13626 1 20 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.354 -0.197 17849 13627 1 20 . 1 1 86 86 LEU CA C 86 56.119 56.119 56.962 -0.843 17849 13628 1 20 . 1 1 86 86 LEU CB C 86 41.558 41.558 43.237 -1.679 17849 13629 1 20 . 1 1 86 86 LEU H H 86 8.037 8.037 8.158 -0.121 17849 13630 1 20 . 1 1 87 87 GLU N N 87 121.323 121.323 119.598 1.725 17849 13631 1 20 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.039 -0.116 17849 13632 1 20 . 1 1 87 87 GLU CA C 87 59.547 59.547 59.298 0.249 17849 13633 1 20 . 1 1 87 87 GLU CB C 87 29.343 29.343 28.283 1.060 17849 13634 1 20 . 1 1 87 87 GLU H H 87 8.192 8.192 8.738 -0.546 17849 13635 1 20 . 1 1 88 88 ALA N N 88 119.942 119.942 121.804 -1.862 17849 13636 1 20 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.224 -0.148 17849 13637 1 20 . 1 1 88 88 ALA C C 88 178.281 178.281 177.704 0.577 17849 13638 1 20 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.902 0.579 17849 13639 1 20 . 1 1 88 88 ALA CB C 88 18.810 18.810 18.822 -0.012 17849 13640 1 20 . 1 1 88 88 ALA H H 88 8.363 8.363 7.718 0.645 17849 13641 1 20 . 1 1 89 89 PHE N N 89 111.807 111.807 116.671 -4.864 17849 13642 1 20 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.583 -0.094 17849 13643 1 20 . 1 1 89 89 PHE C C 89 176.632 176.632 175.384 1.248 17849 13644 1 20 . 1 1 89 89 PHE CA C 89 58.478 58.478 56.182 2.296 17849 13645 1 20 . 1 1 89 89 PHE CB C 89 38.642 38.642 40.308 -1.666 17849 13646 1 20 . 1 1 89 89 PHE H H 89 7.855 7.855 7.804 0.051 17849 13647 1 20 . 1 1 90 90 LYS N N 90 120.375 120.375 122.188 -1.813 17849 13648 1 20 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.142 -0.144 17849 13649 1 20 . 1 1 90 90 LYS C C 90 178.490 178.490 176.613 1.877 17849 13650 1 20 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.770 2.224 17849 13651 1 20 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.256 -0.342 17849 13652 1 20 . 1 1 90 90 LYS H H 90 7.957 7.957 7.764 0.193 17849 13653 1 20 . 1 1 91 91 VAL N N 91 116.643 116.643 118.513 -1.870 17849 13654 1 20 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.715 0.159 17849 13655 1 20 . 1 1 91 91 VAL C C 91 175.413 175.413 177.230 -1.817 17849 13656 1 20 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.178 -1.485 17849 13657 1 20 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.788 -0.554 17849 13658 1 20 . 1 1 91 91 VAL H H 91 7.389 7.389 7.946 -0.557 17849 13659 1 20 . 1 1 92 92 PHE N N 92 115.769 115.769 116.520 -0.751 17849 13660 1 20 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.298 0.222 17849 13661 1 20 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.380 0.795 17849 13662 1 20 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.678 1.556 17849 13663 1 20 . 1 1 92 92 PHE H H 92 7.534 7.534 7.361 0.173 17849 13664 1 20 . 1 1 93 93 ASP N N 93 115.397 115.397 118.579 -3.182 17849 13665 1 20 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.605 0.253 17849 13666 1 20 . 1 1 93 93 ASP C C 93 177.421 177.421 176.987 0.434 17849 13667 1 20 . 1 1 93 93 ASP CA C 93 52.466 52.466 55.168 -2.702 17849 13668 1 20 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.430 -1.450 17849 13669 1 20 . 1 1 93 93 ASP H H 93 7.543 7.543 8.431 -0.888 17849 13670 1 20 . 1 1 94 94 LYS N N 94 125.591 125.591 124.500 1.091 17849 13671 1 20 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.234 -0.155 17849 13672 1 20 . 1 1 94 94 LYS C C 94 177.856 177.856 177.276 0.580 17849 13673 1 20 . 1 1 94 94 LYS CA C 94 57.930 57.930 56.795 1.135 17849 13674 1 20 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.510 -0.116 17849 13675 1 20 . 1 1 94 94 LYS H H 94 7.873 7.873 8.128 -0.255 17849 13676 1 20 . 1 1 95 95 ASN N N 95 112.796 112.796 116.392 -3.596 17849 13677 1 20 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.725 0.072 17849 13678 1 20 . 1 1 95 95 ASN C C 95 176.619 176.619 175.549 1.070 17849 13679 1 20 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.604 -0.694 17849 13680 1 20 . 1 1 95 95 ASN CB C 95 37.276 37.276 37.453 -0.177 17849 13681 1 20 . 1 1 95 95 ASN H H 95 8.272 8.272 7.773 0.499 17849 13682 1 20 . 1 1 96 96 GLY N N 96 109.132 109.132 108.253 0.879 17849 13683 1 20 . 1 1 96 96 GLY C C 96 174.799 174.799 174.397 0.402 17849 13684 1 20 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.673 0.898 17849 13685 1 20 . 1 1 96 96 GLY H H 96 7.654 7.654 7.630 0.024 17849 13686 1 20 . 1 1 97 97 ASP N N 97 118.796 118.796 120.632 -1.836 17849 13687 1 20 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.603 -0.073 17849 13688 1 20 . 1 1 97 97 ASP C C 97 177.137 177.137 177.595 -0.458 17849 13689 1 20 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.567 -0.175 17849 13690 1 20 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.671 -1.282 17849 13691 1 20 . 1 1 97 97 ASP H H 97 8.090 8.090 8.377 -0.287 17849 13692 1 20 . 1 1 98 98 GLY N N 98 112.962 112.962 107.893 5.069 17849 13693 1 20 . 1 1 98 98 GLY C C 98 172.142 172.142 173.726 -1.584 17849 13694 1 20 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.747 -0.023 17849 13695 1 20 . 1 1 98 98 GLY H H 98 10.329 10.329 8.278 2.051 17849 13696 1 20 . 1 1 99 99 LEU N N 99 119.691 119.691 120.609 -0.918 17849 13697 1 20 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.726 0.036 17849 13698 1 20 . 1 1 99 99 LEU C C 99 176.162 176.162 174.856 1.306 17849 13699 1 20 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.203 -0.379 17849 13700 1 20 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.289 -0.507 17849 13701 1 20 . 1 1 99 99 LEU H H 99 8.000 8.000 7.916 0.084 17849 13702 1 20 . 1 1 100 100 ILE N N 100 127.464 127.464 117.740 9.724 17849 13703 1 20 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.867 -0.193 17849 13704 1 20 . 1 1 100 100 ILE C C 100 175.006 175.006 174.683 0.323 17849 13705 1 20 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.505 0.915 17849 13706 1 20 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.159 -2.348 17849 13707 1 20 . 1 1 100 100 ILE H H 100 9.491 9.491 8.179 1.312 17849 13708 1 20 . 1 1 101 101 SER N N 101 123.104 123.104 119.845 3.259 17849 13709 1 20 . 1 1 101 101 SER HA H 101 4.770 4.770 4.923 -0.153 17849 13710 1 20 . 1 1 101 101 SER C C 101 174.847 174.847 175.439 -0.592 17849 13711 1 20 . 1 1 101 101 SER CA C 101 55.854 55.854 56.594 -0.740 17849 13712 1 20 . 1 1 101 101 SER CB C 101 65.994 65.994 65.907 0.087 17849 13713 1 20 . 1 1 101 101 SER H H 101 9.058 9.058 8.286 0.772 17849 13714 1 20 . 1 1 102 102 ALA N N 102 124.316 124.316 124.802 -0.486 17849 13715 1 20 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.508 -0.892 17849 13716 1 20 . 1 1 102 102 ALA C C 102 179.388 179.388 179.319 0.069 17849 13717 1 20 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.612 0.112 17849 13718 1 20 . 1 1 102 102 ALA CB C 102 17.315 17.315 17.704 -0.389 17849 13719 1 20 . 1 1 102 102 ALA H H 102 8.587 8.587 8.724 -0.137 17849 13720 1 20 . 1 1 103 103 ALA N N 103 118.346 118.346 120.752 -2.406 17849 13721 1 20 . 1 1 103 103 ALA HA H 103 4.000 4.000 4.109 -0.109 17849 13722 1 20 . 1 1 103 103 ALA C C 103 181.188 181.188 179.894 1.294 17849 13723 1 20 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.727 0.331 17849 13724 1 20 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.214 0.175 17849 13725 1 20 . 1 1 103 103 ALA H H 103 8.266 8.266 8.470 -0.204 17849 13726 1 20 . 1 1 104 104 GLU N N 104 120.568 120.568 118.041 2.527 17849 13727 1 20 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.166 -0.110 17849 13728 1 20 . 1 1 104 104 GLU C C 104 178.762 178.762 178.627 0.135 17849 13729 1 20 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.639 1.329 17849 13730 1 20 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.593 -0.682 17849 13731 1 20 . 1 1 104 104 GLU H H 104 7.928 7.928 8.238 -0.310 17849 13732 1 20 . 1 1 105 105 LEU N N 105 117.903 117.903 121.194 -3.291 17849 13733 1 20 . 1 1 105 105 LEU HA H 105 4.029 4.029 3.867 0.162 17849 13734 1 20 . 1 1 105 105 LEU C C 105 178.497 178.497 178.559 -0.062 17849 13735 1 20 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.801 0.652 17849 13736 1 20 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.201 0.991 17849 13737 1 20 . 1 1 105 105 LEU H H 105 7.926 7.926 8.267 -0.341 17849 13738 1 20 . 1 1 106 106 LYS N N 106 115.836 115.836 116.078 -0.242 17849 13739 1 20 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.144 -0.345 17849 13740 1 20 . 1 1 106 106 LYS C C 106 179.102 179.102 178.372 0.730 17849 13741 1 20 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.770 1.402 17849 13742 1 20 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.457 0.153 17849 13743 1 20 . 1 1 106 106 LYS H H 106 8.337 8.337 8.058 0.279 17849 13744 1 20 . 1 1 107 107 HIS N N 107 119.620 119.620 119.025 0.595 17849 13745 1 20 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.516 -0.262 17849 13746 1 20 . 1 1 107 107 HIS C C 107 178.167 178.167 177.497 0.670 17849 13747 1 20 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.311 1.617 17849 13748 1 20 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.266 0.318 17849 13749 1 20 . 1 1 107 107 HIS H H 107 8.502 8.502 7.920 0.582 17849 13750 1 20 . 1 1 108 108 VAL N N 108 118.595 118.595 122.263 -3.668 17849 13751 1 20 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.696 -0.040 17849 13752 1 20 . 1 1 108 108 VAL C C 108 178.608 178.608 177.472 1.136 17849 13753 1 20 . 1 1 108 108 VAL CA C 108 66.356 66.356 66.296 0.060 17849 13754 1 20 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.404 0.910 17849 13755 1 20 . 1 1 108 108 VAL H H 108 8.348 8.348 7.711 0.637 17849 13756 1 20 . 1 1 109 109 LEU N N 109 116.755 116.755 115.257 1.498 17849 13757 1 20 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.099 0.045 17849 13758 1 20 . 1 1 109 109 LEU C C 109 179.267 179.267 177.677 1.590 17849 13759 1 20 . 1 1 109 109 LEU CA C 109 57.454 57.454 56.738 0.716 17849 13760 1 20 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.473 0.630 17849 13761 1 20 . 1 1 109 109 LEU H H 109 8.251 8.251 7.700 0.551 17849 13762 1 20 . 1 1 110 110 THR N N 110 111.046 111.046 111.116 -0.070 17849 13763 1 20 . 1 1 110 110 THR HA H 110 4.256 4.256 4.341 -0.085 17849 13764 1 20 . 1 1 110 110 THR C C 110 175.897 175.897 174.310 1.587 17849 13765 1 20 . 1 1 110 110 THR CA C 110 64.465 64.465 62.918 1.547 17849 13766 1 20 . 1 1 110 110 THR CB C 110 69.431 69.431 69.260 0.171 17849 13767 1 20 . 1 1 110 110 THR H H 110 8.085 8.085 7.688 0.397 17849 13768 1 20 . 1 1 111 111 SER N N 111 117.074 117.074 117.545 -0.471 17849 13769 1 20 . 1 1 111 111 SER HA H 111 4.406 4.406 4.353 0.053 17849 13770 1 20 . 1 1 111 111 SER C C 111 175.051 175.051 175.384 -0.333 17849 13771 1 20 . 1 1 111 111 SER CA C 111 59.968 59.968 61.118 -1.151 17849 13772 1 20 . 1 1 111 111 SER CB C 111 63.391 63.391 63.972 -0.581 17849 13773 1 20 . 1 1 111 111 SER H H 111 7.681 7.681 7.749 -0.068 17849 13774 1 20 . 1 1 112 112 ILE N N 112 119.783 119.783 115.993 3.790 17849 13775 1 20 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.841 0.250 17849 13776 1 20 . 1 1 112 112 ILE C C 112 177.040 177.040 175.732 1.308 17849 13777 1 20 . 1 1 112 112 ILE CA C 112 62.524 62.524 61.691 0.834 17849 13778 1 20 . 1 1 112 112 ILE CB C 112 38.344 38.344 34.925 3.419 17849 13779 1 20 . 1 1 112 112 ILE H H 112 7.444 7.444 7.573 -0.129 17849 13780 1 20 . 1 1 113 113 GLY N N 113 110.432 110.432 108.476 1.956 17849 13781 1 20 . 1 1 113 113 GLY C C 113 174.442 174.442 175.116 -0.674 17849 13782 1 20 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.915 0.728 17849 13783 1 20 . 1 1 113 113 GLY H H 113 8.148 8.148 7.757 0.391 17849 13784 1 20 . 1 1 114 114 GLU N N 114 120.374 120.374 123.326 -2.952 17849 13785 1 20 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.318 -0.052 17849 13786 1 20 . 1 1 114 114 GLU C C 114 176.556 176.556 177.204 -0.648 17849 13787 1 20 . 1 1 114 114 GLU CA C 114 56.773 56.773 57.356 -0.583 17849 13788 1 20 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.082 0.208 17849 13789 1 20 . 1 1 114 114 GLU H H 114 8.092 8.092 8.517 -0.425 17849 13790 1 20 . 1 1 115 115 LYS N N 115 121.383 121.383 120.506 0.877 17849 13791 1 20 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.141 0.194 17849 13792 1 20 . 1 1 115 115 LYS C C 115 176.654 176.654 174.967 1.687 17849 13793 1 20 . 1 1 115 115 LYS CA C 115 56.299 56.299 57.266 -0.967 17849 13794 1 20 . 1 1 115 115 LYS CB C 115 32.839 32.839 32.483 0.355 17849 13795 1 20 . 1 1 115 115 LYS H H 115 8.221 8.221 8.255 -0.034 17849 13796 1 20 . 1 1 116 116 LEU N N 116 123.146 123.146 118.594 4.552 17849 13797 1 20 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.805 -0.384 17849 13798 1 20 . 1 1 116 116 LEU C C 116 177.677 177.677 174.896 2.781 17849 13799 1 20 . 1 1 116 116 LEU CA C 116 55.320 55.320 55.492 -0.172 17849 13800 1 20 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.916 -1.607 17849 13801 1 20 . 1 1 116 116 LEU H H 116 8.265 8.265 8.136 0.129 17849 13802 1 20 . 1 1 117 117 THR N N 117 113.859 113.859 115.875 -2.016 17849 13803 1 20 . 1 1 117 117 THR HA H 117 4.337 4.337 4.582 -0.245 17849 13804 1 20 . 1 1 117 117 THR C C 117 174.535 174.535 172.975 1.560 17849 13805 1 20 . 1 1 117 117 THR CA C 117 61.824 61.824 60.687 1.137 17849 13806 1 20 . 1 1 117 117 THR CB C 117 70.096 70.096 71.193 -1.097 17849 13807 1 20 . 1 1 117 117 THR H H 117 8.182 8.182 8.185 -0.003 17849 13808 1 20 . 1 1 118 118 ASP N N 118 122.049 122.049 119.768 2.281 17849 13809 1 20 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.815 -0.282 17849 13810 1 20 . 1 1 118 118 ASP C C 118 176.728 176.728 176.874 -0.146 17849 13811 1 20 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.288 -0.070 17849 13812 1 20 . 1 1 118 118 ASP CB C 118 40.852 40.852 41.840 -0.988 17849 13813 1 20 . 1 1 118 118 ASP H H 118 8.367 8.367 8.514 -0.147 17849 13814 1 20 . 1 1 119 119 ALA N N 119 123.432 123.432 121.076 2.356 17849 13815 1 20 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.365 -0.146 17849 13816 1 20 . 1 1 119 119 ALA C C 119 178.486 178.486 178.885 -0.399 17849 13817 1 20 . 1 1 119 119 ALA CA C 119 53.433 53.433 53.248 0.185 17849 13818 1 20 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.519 0.556 17849 13819 1 20 . 1 1 119 119 ALA H H 119 8.206 8.206 7.911 0.295 17849 13820 1 20 . 1 1 120 120 GLU N N 120 118.592 118.592 119.417 -0.825 17849 13821 1 20 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.113 0.069 17849 13822 1 20 . 1 1 120 120 GLU C C 120 177.133 177.133 177.478 -0.345 17849 13823 1 20 . 1 1 120 120 GLU CA C 120 57.105 57.105 59.141 -2.036 17849 13824 1 20 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.418 0.634 17849 13825 1 20 . 1 1 120 120 GLU H H 120 8.187 8.187 8.614 -0.427 17849 13826 1 20 . 1 1 121 121 LEU N N 121 121.427 121.427 117.718 3.709 17849 13827 1 20 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.543 -0.339 17849 13828 1 20 . 1 1 121 121 LEU C C 121 177.710 177.710 179.027 -1.317 17849 13829 1 20 . 1 1 121 121 LEU CA C 121 55.752 55.752 56.462 -0.710 17849 13830 1 20 . 1 1 121 121 LEU CB C 121 42.258 42.258 42.233 0.025 17849 13831 1 20 . 1 1 121 121 LEU H H 121 8.020 8.020 7.245 0.775 17849 13832 1 20 . 1 1 122 122 GLU N N 122 119.850 119.850 118.516 1.334 17849 13833 1 20 . 1 1 122 122 GLU HA H 122 4.127 4.127 3.907 0.220 17849 13834 1 20 . 1 1 122 122 GLU C C 122 176.518 176.518 177.108 -0.590 17849 13835 1 20 . 1 1 122 122 GLU CA C 122 57.014 57.014 59.206 -2.192 17849 13836 1 20 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.322 0.734 17849 13837 1 20 . 1 1 122 122 GLU H H 122 8.118 8.118 8.023 0.095 17849 13838 1 20 . 1 1 123 123 HIS N N 123 118.817 118.817 117.248 1.569 17849 13839 1 20 . 1 1 123 123 HIS CA C 123 56.259 56.259 57.567 -1.308 17849 13840 1 20 . 1 1 123 123 HIS H H 123 8.106 8.106 7.386 0.720 17849 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 116 2.597 -0.210 2.600 17849 2 1 1 "Average Difference" HA 125 0.257 0.019 0.258 17849 3 1 1 "Average Difference" C 112 0.971 -0.287 0.932 17849 4 1 1 "Average Difference" CA 120 1.080 -0.179 1.070 17849 5 1 1 "Average Difference" CB 114 0.976 0.086 0.977 17849 6 1 1 "Average Difference" HN 117 0.594 -0.127 0.582 17849 7 1 2 "Average Difference" N 116 2.723 -0.347 2.712 17849 8 1 2 "Average Difference" HA 125 0.273 0.027 0.273 17849 9 1 2 "Average Difference" C 112 0.911 -0.346 0.847 17849 10 1 2 "Average Difference" CA 120 0.987 -0.184 0.973 17849 11 1 2 "Average Difference" CB 114 0.937 0.079 0.938 17849 12 1 2 "Average Difference" HN 117 0.617 -0.109 0.610 17849 13 1 3 "Average Difference" N 116 2.814 -0.278 2.812 17849 14 1 3 "Average Difference" HA 125 0.260 0.018 0.260 17849 15 1 3 "Average Difference" C 112 0.938 -0.350 0.875 17849 16 1 3 "Average Difference" CA 120 1.151 -0.218 1.135 17849 17 1 3 "Average Difference" CB 114 1.067 0.156 1.061 17849 18 1 3 "Average Difference" HN 117 0.634 -0.167 0.615 17849 19 1 4 "Average Difference" N 116 2.672 -0.207 2.675 17849 20 1 4 "Average Difference" HA 125 0.274 0.029 0.273 17849 21 1 4 "Average Difference" C 112 0.945 -0.347 0.883 17849 22 1 4 "Average Difference" CA 120 1.136 -0.256 1.111 17849 23 1 4 "Average Difference" CB 114 0.997 0.107 0.996 17849 24 1 4 "Average Difference" HN 117 0.569 -0.138 0.554 17849 25 1 5 "Average Difference" N 116 2.837 -0.351 2.827 17849 26 1 5 "Average Difference" HA 125 0.291 0.015 0.292 17849 27 1 5 "Average Difference" C 112 0.919 -0.278 0.880 17849 28 1 5 "Average Difference" CA 120 1.153 -0.178 1.144 17849 29 1 5 "Average Difference" CB 114 1.012 0.011 1.016 17849 30 1 5 "Average Difference" HN 117 0.597 -0.087 0.594 17849 31 1 6 "Average Difference" N 116 2.662 -0.370 2.647 17849 32 1 6 "Average Difference" HA 125 0.277 0.026 0.277 17849 33 1 6 "Average Difference" C 112 1.014 -0.237 0.990 17849 34 1 6 "Average Difference" CA 120 1.183 -0.053 1.187 17849 35 1 6 "Average Difference" CB 114 1.000 0.043 1.003 17849 36 1 6 "Average Difference" HN 117 0.580 -0.116 0.571 17849 37 1 7 "Average Difference" N 116 2.660 -0.308 2.653 17849 38 1 7 "Average Difference" HA 125 0.268 0.018 0.268 17849 39 1 7 "Average Difference" C 112 0.839 -0.315 0.781 17849 40 1 7 "Average Difference" CA 120 1.123 -0.237 1.102 17849 41 1 7 "Average Difference" CB 114 1.020 0.079 1.022 17849 42 1 7 "Average Difference" HN 117 0.624 -0.144 0.610 17849 43 1 8 "Average Difference" N 116 2.991 -0.516 2.959 17849 44 1 8 "Average Difference" HA 125 0.265 0.038 0.263 17849 45 1 8 "Average Difference" C 112 0.919 -0.358 0.850 17849 46 1 8 "Average Difference" CA 120 1.159 -0.197 1.147 17849 47 1 8 "Average Difference" CB 114 1.027 0.129 1.023 17849 48 1 8 "Average Difference" HN 117 0.628 -0.180 0.604 17849 49 1 9 "Average Difference" N 116 2.826 -0.263 2.826 17849 50 1 9 "Average Difference" HA 125 0.263 0.016 0.264 17849 51 1 9 "Average Difference" C 112 0.988 -0.388 0.913 17849 52 1 9 "Average Difference" CA 120 1.133 -0.264 1.106 17849 53 1 9 "Average Difference" CB 114 1.107 0.076 1.109 17849 54 1 9 "Average Difference" HN 117 0.585 -0.124 0.574 17849 55 1 10 "Average Difference" N 116 2.688 -0.167 2.695 17849 56 1 10 "Average Difference" HA 125 0.275 0.029 0.274 17849 57 1 10 "Average Difference" C 112 0.974 -0.345 0.915 17849 58 1 10 "Average Difference" CA 120 1.077 -0.160 1.070 17849 59 1 10 "Average Difference" CB 114 1.016 0.065 1.018 17849 60 1 10 "Average Difference" HN 117 0.647 -0.115 0.639 17849 61 1 11 "Average Difference" N 116 2.900 -0.275 2.899 17849 62 1 11 "Average Difference" HA 125 0.272 0.033 0.272 17849 63 1 11 "Average Difference" C 112 0.940 -0.275 0.902 17849 64 1 11 "Average Difference" CA 120 1.084 -0.152 1.078 17849 65 1 11 "Average Difference" CB 114 1.054 0.112 1.053 17849 66 1 11 "Average Difference" HN 117 0.614 -0.092 0.610 17849 67 1 12 "Average Difference" N 116 2.695 -0.360 2.683 17849 68 1 12 "Average Difference" HA 125 0.261 0.031 0.260 17849 69 1 12 "Average Difference" C 112 0.955 -0.425 0.858 17849 70 1 12 "Average Difference" CA 120 1.103 -0.173 1.094 17849 71 1 12 "Average Difference" CB 114 1.021 0.108 1.020 17849 72 1 12 "Average Difference" HN 117 0.613 -0.123 0.604 17849 73 1 13 "Average Difference" N 116 2.558 -0.330 2.547 17849 74 1 13 "Average Difference" HA 125 0.263 -0.002 0.264 17849 75 1 13 "Average Difference" C 112 0.960 -0.246 0.932 17849 76 1 13 "Average Difference" CA 120 1.212 -0.132 1.210 17849 77 1 13 "Average Difference" CB 114 1.021 -0.048 1.024 17849 78 1 13 "Average Difference" HN 117 0.620 -0.209 0.586 17849 79 1 14 "Average Difference" N 116 2.626 -0.181 2.632 17849 80 1 14 "Average Difference" HA 125 0.261 0.023 0.261 17849 81 1 14 "Average Difference" C 112 0.961 -0.405 0.876 17849 82 1 14 "Average Difference" CA 120 1.167 -0.192 1.156 17849 83 1 14 "Average Difference" CB 114 1.038 0.059 1.041 17849 84 1 14 "Average Difference" HN 117 0.610 -0.095 0.605 17849 85 1 15 "Average Difference" N 116 2.675 -0.467 2.645 17849 86 1 15 "Average Difference" HA 125 0.249 -0.002 0.250 17849 87 1 15 "Average Difference" C 112 0.936 -0.257 0.904 17849 88 1 15 "Average Difference" CA 120 1.068 -0.085 1.069 17849 89 1 15 "Average Difference" CB 114 1.002 0.028 1.006 17849 90 1 15 "Average Difference" HN 117 0.632 -0.129 0.621 17849 91 1 16 "Average Difference" N 116 2.873 -0.386 2.859 17849 92 1 16 "Average Difference" HA 125 0.267 0.019 0.267 17849 93 1 16 "Average Difference" C 112 0.980 -0.415 0.892 17849 94 1 16 "Average Difference" CA 120 1.094 -0.225 1.075 17849 95 1 16 "Average Difference" CB 114 0.998 0.124 0.995 17849 96 1 16 "Average Difference" HN 117 0.597 -0.112 0.589 17849 97 1 17 "Average Difference" N 116 2.979 -0.253 2.982 17849 98 1 17 "Average Difference" HA 125 0.268 -0.003 0.269 17849 99 1 17 "Average Difference" C 112 0.916 -0.256 0.884 17849 100 1 17 "Average Difference" CA 120 1.035 -0.171 1.025 17849 101 1 17 "Average Difference" CB 114 0.991 0.084 0.992 17849 102 1 17 "Average Difference" HN 117 0.590 -0.104 0.583 17849 103 1 18 "Average Difference" N 116 2.971 -0.479 2.945 17849 104 1 18 "Average Difference" HA 125 0.280 0.030 0.279 17849 105 1 18 "Average Difference" C 112 0.942 -0.355 0.876 17849 106 1 18 "Average Difference" CA 120 1.078 -0.224 1.059 17849 107 1 18 "Average Difference" CB 114 1.066 0.125 1.063 17849 108 1 18 "Average Difference" HN 117 0.603 -0.118 0.594 17849 109 1 19 "Average Difference" N 116 3.063 -0.532 3.030 17849 110 1 19 "Average Difference" HA 125 0.281 0.033 0.280 17849 111 1 19 "Average Difference" C 112 0.889 -0.377 0.809 17849 112 1 19 "Average Difference" CA 120 1.130 -0.217 1.114 17849 113 1 19 "Average Difference" CB 114 1.041 0.083 1.043 17849 114 1 19 "Average Difference" HN 117 0.637 -0.155 0.620 17849 115 1 20 "Average Difference" N 116 2.582 -0.182 2.587 17849 116 1 20 "Average Difference" HA 125 0.257 0.018 0.258 17849 117 1 20 "Average Difference" C 112 0.926 -0.295 0.882 17849 118 1 20 "Average Difference" CA 120 1.085 -0.115 1.083 17849 119 1 20 "Average Difference" CB 114 1.025 0.025 1.029 17849 120 1 20 "Average Difference" HN 117 0.588 -0.106 0.581 17849 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 17849 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.507 4.507 4.579 -0.072 17849 2 1 . 1 1 2 2 SER CA C 2 58.342 58.342 58.250 0.091 17849 3 1 . 1 1 2 2 SER CB C 2 63.883 63.883 63.502 0.381 17849 4 1 . 1 1 3 3 ASN HA H 3 4.764 4.764 4.820 -0.056 17849 5 1 . 1 1 3 3 ASN C C 3 174.784 174.784 174.600 0.184 17849 6 1 . 1 1 3 3 ASN CA C 3 53.125 53.125 52.659 0.466 17849 7 1 . 1 1 3 3 ASN CB C 3 38.893 38.893 39.796 -0.903 17849 8 1 . 1 1 4 4 LEU N N 4 121.466 121.466 121.775 -0.309 17849 9 1 . 1 1 4 4 LEU HA H 4 4.700 4.700 4.527 0.173 17849 10 1 . 1 1 4 4 LEU C C 4 177.665 177.665 177.022 0.643 17849 11 1 . 1 1 4 4 LEU CA C 4 54.512 54.512 55.510 -0.998 17849 12 1 . 1 1 4 4 LEU CB C 4 43.639 43.639 42.382 1.257 17849 13 1 . 1 1 4 4 LEU H H 4 8.097 8.097 8.511 -0.414 17849 14 1 . 1 1 5 5 THR N N 5 112.990 112.990 113.938 -0.948 17849 15 1 . 1 1 5 5 THR HA H 5 4.481 4.481 4.636 -0.155 17849 16 1 . 1 1 5 5 THR C C 5 175.474 175.474 175.267 0.207 17849 17 1 . 1 1 5 5 THR CA C 5 60.528 60.528 59.898 0.630 17849 18 1 . 1 1 5 5 THR CB C 5 71.244 71.244 71.452 -0.208 17849 19 1 . 1 1 5 5 THR H H 5 8.778 8.778 7.887 0.891 17849 20 1 . 1 1 6 6 GLU N N 6 120.343 120.343 120.789 -0.446 17849 21 1 . 1 1 6 6 GLU HA H 6 4.002 4.002 3.930 0.072 17849 22 1 . 1 1 6 6 GLU C C 6 179.568 179.568 178.506 1.062 17849 23 1 . 1 1 6 6 GLU CA C 6 60.176 60.176 60.038 0.138 17849 24 1 . 1 1 6 6 GLU CB C 6 29.225 29.225 29.150 0.075 17849 25 1 . 1 1 6 6 GLU H H 6 9.078 9.078 8.966 0.113 17849 26 1 . 1 1 7 7 GLU N N 7 119.544 119.544 119.958 -0.414 17849 27 1 . 1 1 7 7 GLU HA H 7 4.111 4.111 3.971 0.140 17849 28 1 . 1 1 7 7 GLU C C 7 179.170 179.170 179.091 0.079 17849 29 1 . 1 1 7 7 GLU CA C 7 60.037 60.037 59.087 0.950 17849 30 1 . 1 1 7 7 GLU CB C 7 29.117 29.117 29.156 -0.039 17849 31 1 . 1 1 7 7 GLU H H 7 8.820 8.820 7.889 0.931 17849 32 1 . 1 1 8 8 GLN N N 8 119.824 119.824 118.445 1.379 17849 33 1 . 1 1 8 8 GLN HA H 8 4.164 4.164 3.811 0.353 17849 34 1 . 1 1 8 8 GLN C C 8 179.652 179.652 178.477 1.175 17849 35 1 . 1 1 8 8 GLN CA C 8 58.752 58.752 58.509 0.243 17849 36 1 . 1 1 8 8 GLN CB C 8 29.739 29.739 28.558 1.181 17849 37 1 . 1 1 8 8 GLN H H 8 7.812 7.812 7.449 0.363 17849 38 1 . 1 1 9 9 ILE N N 9 120.978 120.978 120.099 0.879 17849 39 1 . 1 1 9 9 ILE HA H 9 3.852 3.852 3.782 0.070 17849 40 1 . 1 1 9 9 ILE C C 9 177.899 177.899 178.184 -0.285 17849 41 1 . 1 1 9 9 ILE CA C 9 66.576 66.576 65.567 1.009 17849 42 1 . 1 1 9 9 ILE CB C 9 37.989 37.989 37.619 0.370 17849 43 1 . 1 1 9 9 ILE H H 9 8.634 8.634 8.424 0.210 17849 44 1 . 1 1 10 10 ALA N N 10 121.528 121.528 121.052 0.476 17849 45 1 . 1 1 10 10 ALA HA H 10 4.106 4.106 4.049 0.057 17849 46 1 . 1 1 10 10 ALA C C 10 180.886 180.886 179.587 1.299 17849 47 1 . 1 1 10 10 ALA CA C 10 55.418 55.418 55.304 0.114 17849 48 1 . 1 1 10 10 ALA CB C 10 17.775 17.775 17.935 -0.160 17849 49 1 . 1 1 10 10 ALA H H 10 8.142 8.142 8.112 0.030 17849 50 1 . 1 1 11 11 GLU N N 11 118.807 118.807 118.681 0.126 17849 51 1 . 1 1 11 11 GLU HA H 11 4.214 4.214 4.110 0.104 17849 52 1 . 1 1 11 11 GLU C C 11 180.292 180.292 179.130 1.162 17849 53 1 . 1 1 11 11 GLU CA C 11 59.364 59.364 58.854 0.510 17849 54 1 . 1 1 11 11 GLU CB C 11 29.788 29.788 29.446 0.342 17849 55 1 . 1 1 11 11 GLU H H 11 7.810 7.810 7.822 -0.012 17849 56 1 . 1 1 12 12 PHE N N 12 118.671 118.671 119.386 -0.715 17849 57 1 . 1 1 12 12 PHE HA H 12 4.647 4.647 4.417 0.230 17849 58 1 . 1 1 12 12 PHE C C 12 179.032 179.032 178.123 0.909 17849 59 1 . 1 1 12 12 PHE CA C 12 63.160 63.160 60.157 3.003 17849 60 1 . 1 1 12 12 PHE CB C 12 39.015 39.015 38.077 0.938 17849 61 1 . 1 1 12 12 PHE H H 12 8.432 8.432 8.310 0.122 17849 62 1 . 1 1 13 13 LYS N N 13 123.536 123.536 118.988 4.548 17849 63 1 . 1 1 13 13 LYS HA H 13 3.840 3.840 4.058 -0.218 17849 64 1 . 1 1 13 13 LYS C C 13 179.114 179.114 178.977 0.137 17849 65 1 . 1 1 13 13 LYS CA C 13 60.088 60.088 60.017 0.071 17849 66 1 . 1 1 13 13 LYS CB C 13 31.652 31.652 32.143 -0.491 17849 67 1 . 1 1 13 13 LYS H H 13 8.981 8.981 8.565 0.416 17849 68 1 . 1 1 14 14 GLU N N 14 119.691 119.691 119.058 0.633 17849 69 1 . 1 1 14 14 GLU HA H 14 4.097 4.097 4.316 -0.219 17849 70 1 . 1 1 14 14 GLU C C 14 179.285 179.285 178.560 0.725 17849 71 1 . 1 1 14 14 GLU CA C 14 59.245 59.245 58.533 0.712 17849 72 1 . 1 1 14 14 GLU CB C 14 29.641 29.641 29.809 -0.168 17849 73 1 . 1 1 14 14 GLU H H 14 7.737 7.737 7.948 -0.211 17849 74 1 . 1 1 15 15 ALA N N 15 120.127 120.127 123.029 -2.902 17849 75 1 . 1 1 15 15 ALA HA H 15 4.167 4.167 4.180 -0.013 17849 76 1 . 1 1 15 15 ALA C C 15 178.607 178.607 179.704 -1.097 17849 77 1 . 1 1 15 15 ALA CA C 15 55.059 55.059 55.149 -0.090 17849 78 1 . 1 1 15 15 ALA CB C 15 19.131 19.131 18.557 0.574 17849 79 1 . 1 1 15 15 ALA H H 15 7.747 7.747 8.093 -0.346 17849 80 1 . 1 1 16 16 PHE N N 16 119.058 119.058 118.323 0.735 17849 81 1 . 1 1 16 16 PHE HA H 16 3.307 3.307 3.957 -0.650 17849 82 1 . 1 1 16 16 PHE C C 16 177.236 177.236 176.843 0.393 17849 83 1 . 1 1 16 16 PHE CA C 16 61.705 61.705 60.626 1.079 17849 84 1 . 1 1 16 16 PHE CB C 16 39.752 39.752 39.129 0.623 17849 85 1 . 1 1 16 16 PHE H H 16 8.908 8.908 8.628 0.280 17849 86 1 . 1 1 17 17 ALA N N 17 119.352 119.352 122.425 -3.073 17849 87 1 . 1 1 17 17 ALA HA H 17 4.123 4.123 4.156 -0.033 17849 88 1 . 1 1 17 17 ALA C C 17 178.680 178.680 178.833 -0.153 17849 89 1 . 1 1 17 17 ALA CA C 17 54.539 54.539 54.693 -0.154 17849 90 1 . 1 1 17 17 ALA CB C 17 18.215 18.215 18.427 -0.212 17849 91 1 . 1 1 17 17 ALA H H 17 7.877 7.877 7.896 -0.019 17849 92 1 . 1 1 18 18 LEU N N 18 115.281 115.281 117.609 -2.328 17849 93 1 . 1 1 18 18 LEU HA H 18 4.055 4.055 4.041 0.014 17849 94 1 . 1 1 18 18 LEU C C 18 178.393 178.393 178.279 0.114 17849 95 1 . 1 1 18 18 LEU CA C 18 56.642 56.642 57.468 -0.826 17849 96 1 . 1 1 18 18 LEU CB C 18 41.743 41.743 41.508 0.235 17849 97 1 . 1 1 18 18 LEU H H 18 7.369 7.369 8.184 -0.815 17849 98 1 . 1 1 19 19 PHE N N 19 115.719 115.719 114.669 1.050 17849 99 1 . 1 1 19 19 PHE HA H 19 4.209 4.209 4.375 -0.166 17849 100 1 . 1 1 19 19 PHE C C 19 176.704 176.704 176.028 0.676 17849 101 1 . 1 1 19 19 PHE CA C 19 59.233 59.233 59.635 -0.402 17849 102 1 . 1 1 19 19 PHE CB C 19 41.670 41.670 40.108 1.562 17849 103 1 . 1 1 19 19 PHE H H 19 7.468 7.468 7.844 -0.376 17849 104 1 . 1 1 20 20 ASP N N 20 117.209 117.209 119.275 -2.066 17849 105 1 . 1 1 20 20 ASP HA H 20 4.461 4.461 4.566 -0.105 17849 106 1 . 1 1 20 20 ASP C C 20 176.557 176.557 176.246 0.311 17849 107 1 . 1 1 20 20 ASP CA C 20 52.245 52.245 54.868 -2.623 17849 108 1 . 1 1 20 20 ASP CB C 20 39.147 39.147 41.852 -2.705 17849 109 1 . 1 1 20 20 ASP H H 20 7.488 7.488 7.990 -0.502 17849 110 1 . 1 1 21 21 LYS N N 21 124.086 124.086 125.331 -1.245 17849 111 1 . 1 1 21 21 LYS HA H 21 3.998 3.998 4.202 -0.204 17849 112 1 . 1 1 21 21 LYS C C 21 177.844 177.844 177.642 0.202 17849 113 1 . 1 1 21 21 LYS CA C 21 58.308 58.308 58.166 0.142 17849 114 1 . 1 1 21 21 LYS CB C 21 32.452 32.452 32.802 -0.350 17849 115 1 . 1 1 21 21 LYS H H 21 7.376 7.376 8.512 -1.135 17849 116 1 . 1 1 22 22 ASP N N 22 114.097 114.097 115.669 -1.572 17849 117 1 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.564 0.040 17849 118 1 . 1 1 22 22 ASP C C 22 176.349 176.349 176.072 0.277 17849 119 1 . 1 1 22 22 ASP CA C 22 52.703 52.703 53.631 -0.928 17849 120 1 . 1 1 22 22 ASP CB C 22 39.355 39.355 40.421 -1.066 17849 121 1 . 1 1 22 22 ASP H H 22 8.113 8.113 8.214 -0.101 17849 122 1 . 1 1 23 23 ASN N N 23 115.562 115.562 117.162 -1.600 17849 123 1 . 1 1 23 23 ASN HA H 23 4.395 4.395 4.531 -0.137 17849 124 1 . 1 1 23 23 ASN C C 23 174.864 174.864 174.948 -0.084 17849 125 1 . 1 1 23 23 ASN CA C 23 54.400 54.400 53.809 0.591 17849 126 1 . 1 1 23 23 ASN CB C 23 37.924 37.924 37.217 0.707 17849 127 1 . 1 1 23 23 ASN H H 23 8.048 8.048 8.445 -0.397 17849 128 1 . 1 1 24 24 ASN N N 24 117.615 117.615 117.396 0.219 17849 129 1 . 1 1 24 24 ASN HA H 24 4.835 4.835 4.704 0.131 17849 130 1 . 1 1 24 24 ASN C C 24 177.445 177.445 176.216 1.229 17849 131 1 . 1 1 24 24 ASN CA C 24 52.415 52.415 53.446 -1.031 17849 132 1 . 1 1 24 24 ASN CB C 24 38.481 38.481 39.212 -0.731 17849 133 1 . 1 1 24 24 ASN H H 24 8.517 8.517 8.846 -0.329 17849 134 1 . 1 1 25 25 GLY N N 25 114.308 114.308 107.706 6.602 17849 135 1 . 1 1 25 25 GLY C C 25 173.105 173.105 173.348 -0.243 17849 136 1 . 1 1 25 25 GLY CA C 25 45.480 45.480 45.030 0.450 17849 137 1 . 1 1 25 25 GLY H H 25 10.729 10.729 8.587 2.142 17849 138 1 . 1 1 26 26 SER N N 26 113.267 113.267 116.370 -3.103 17849 139 1 . 1 1 26 26 SER HA H 26 5.330 5.330 5.675 -0.345 17849 140 1 . 1 1 26 26 SER C C 26 172.610 172.610 173.691 -1.081 17849 141 1 . 1 1 26 26 SER CA C 26 57.375 57.375 56.915 0.460 17849 142 1 . 1 1 26 26 SER CB C 26 66.504 66.504 66.078 0.426 17849 143 1 . 1 1 26 26 SER H H 26 7.773 7.773 7.894 -0.121 17849 144 1 . 1 1 27 27 ILE N N 27 127.124 127.124 123.422 3.702 17849 145 1 . 1 1 27 27 ILE HA H 27 4.888 4.888 4.507 0.381 17849 146 1 . 1 1 27 27 ILE C C 27 175.876 175.876 175.344 0.532 17849 147 1 . 1 1 27 27 ILE CA C 27 60.036 60.036 60.365 -0.329 17849 148 1 . 1 1 27 27 ILE CB C 27 38.896 38.896 40.897 -2.001 17849 149 1 . 1 1 27 27 ILE H H 27 9.848 9.848 8.266 1.582 17849 150 1 . 1 1 28 28 SER N N 28 124.825 124.825 119.504 5.321 17849 151 1 . 1 1 28 28 SER HA H 28 4.771 4.771 5.180 -0.409 17849 152 1 . 1 1 28 28 SER C C 28 175.395 175.395 175.710 -0.315 17849 153 1 . 1 1 28 28 SER CA C 28 56.680 56.680 55.659 1.021 17849 154 1 . 1 1 28 28 SER CB C 28 66.154 66.154 65.700 0.454 17849 155 1 . 1 1 28 28 SER H H 28 9.347 9.347 8.385 0.962 17849 156 1 . 1 1 29 29 SER N N 29 116.882 116.882 120.008 -3.126 17849 157 1 . 1 1 29 29 SER HA H 29 4.144 4.144 4.190 -0.046 17849 158 1 . 1 1 29 29 SER C C 29 176.516 176.516 176.380 0.136 17849 159 1 . 1 1 29 29 SER CA C 29 62.634 62.634 61.560 1.074 17849 160 1 . 1 1 29 29 SER CB C 29 62.227 62.227 62.808 -0.581 17849 161 1 . 1 1 29 29 SER H H 29 9.604 9.604 9.096 0.508 17849 162 1 . 1 1 30 30 SER N N 30 116.141 116.141 117.903 -1.762 17849 163 1 . 1 1 30 30 SER HA H 30 4.327 4.327 4.142 0.185 17849 164 1 . 1 1 30 30 SER C C 30 177.965 177.965 176.386 1.579 17849 165 1 . 1 1 30 30 SER CA C 30 61.341 61.341 61.812 -0.471 17849 166 1 . 1 1 30 30 SER CB C 30 62.429 62.429 63.011 -0.582 17849 167 1 . 1 1 30 30 SER H H 30 8.184 8.184 8.079 0.105 17849 168 1 . 1 1 31 31 GLU N N 31 124.933 124.933 121.826 3.107 17849 169 1 . 1 1 31 31 GLU HA H 31 4.091 4.091 4.077 0.014 17849 170 1 . 1 1 31 31 GLU C C 31 179.355 179.355 178.851 0.504 17849 171 1 . 1 1 31 31 GLU CA C 31 59.442 59.442 58.939 0.503 17849 172 1 . 1 1 31 31 GLU CB C 31 29.335 29.335 29.508 -0.173 17849 173 1 . 1 1 31 31 GLU H H 31 7.973 7.973 8.058 -0.085 17849 174 1 . 1 1 32 32 LEU N N 32 120.778 120.778 120.457 0.321 17849 175 1 . 1 1 32 32 LEU HA H 32 4.167 4.167 4.218 -0.051 17849 176 1 . 1 1 32 32 LEU C C 32 178.364 178.364 178.416 -0.052 17849 177 1 . 1 1 32 32 LEU CA C 32 58.347 58.347 57.670 0.677 17849 178 1 . 1 1 32 32 LEU CB C 32 42.111 42.111 41.984 0.127 17849 179 1 . 1 1 32 32 LEU H H 32 8.616 8.616 8.271 0.345 17849 180 1 . 1 1 33 33 ALA N N 33 120.423 120.423 120.895 -0.472 17849 181 1 . 1 1 33 33 ALA HA H 33 3.876 3.876 3.986 -0.110 17849 182 1 . 1 1 33 33 ALA C C 33 179.394 179.394 179.416 -0.022 17849 183 1 . 1 1 33 33 ALA CA C 33 55.788 55.788 55.266 0.522 17849 184 1 . 1 1 33 33 ALA CB C 33 18.518 18.518 18.026 0.491 17849 185 1 . 1 1 33 33 ALA H H 33 8.688 8.688 8.398 0.290 17849 186 1 . 1 1 34 34 THR N N 34 114.299 114.299 114.170 0.129 17849 187 1 . 1 1 34 34 THR HA H 34 3.902 3.902 4.021 -0.119 17849 188 1 . 1 1 34 34 THR C C 34 177.161 177.161 176.137 1.025 17849 189 1 . 1 1 34 34 THR CA C 34 67.173 67.173 66.696 0.477 17849 190 1 . 1 1 34 34 THR CB C 34 68.712 68.712 68.759 -0.047 17849 191 1 . 1 1 34 34 THR H H 34 8.219 8.219 7.985 0.234 17849 192 1 . 1 1 35 35 VAL N N 35 122.638 122.638 120.272 2.366 17849 193 1 . 1 1 35 35 VAL HA H 35 3.584 3.584 3.708 -0.124 17849 194 1 . 1 1 35 35 VAL C C 35 178.403 178.403 177.376 1.027 17849 195 1 . 1 1 35 35 VAL CA C 35 66.884 66.884 65.822 1.062 17849 196 1 . 1 1 35 35 VAL CB C 35 31.361 31.361 31.556 -0.195 17849 197 1 . 1 1 35 35 VAL H H 35 7.791 7.791 7.846 -0.055 17849 198 1 . 1 1 36 36 MET N N 36 117.307 117.307 119.111 -1.804 17849 199 1 . 1 1 36 36 MET HA H 36 3.906 3.906 4.103 -0.197 17849 200 1 . 1 1 36 36 MET C C 36 178.456 178.456 178.267 0.189 17849 201 1 . 1 1 36 36 MET CA C 36 59.787 59.787 58.357 1.430 17849 202 1 . 1 1 36 36 MET CB C 36 32.548 32.548 31.606 0.942 17849 203 1 . 1 1 36 36 MET H H 36 8.308 8.308 7.662 0.646 17849 204 1 . 1 1 37 37 ARG N N 37 118.384 118.384 117.191 1.193 17849 205 1 . 1 1 37 37 ARG HA H 37 4.757 4.757 4.253 0.504 17849 206 1 . 1 1 37 37 ARG C C 37 181.371 181.371 178.558 2.813 17849 207 1 . 1 1 37 37 ARG CA C 37 58.887 58.887 58.668 0.219 17849 208 1 . 1 1 37 37 ARG CB C 37 30.098 30.098 29.325 0.773 17849 209 1 . 1 1 37 37 ARG H H 37 8.634 8.634 8.211 0.423 17849 210 1 . 1 1 38 38 SER N N 38 118.916 118.916 113.499 5.417 17849 211 1 . 1 1 38 38 SER HA H 38 4.339 4.339 4.282 0.057 17849 212 1 . 1 1 38 38 SER C C 38 174.705 174.705 175.986 -1.281 17849 213 1 . 1 1 38 38 SER CA C 38 61.793 61.793 60.084 1.709 17849 214 1 . 1 1 38 38 SER CB C 38 62.713 62.713 63.189 -0.476 17849 215 1 . 1 1 38 38 SER H H 38 8.226 8.226 7.581 0.645 17849 216 1 . 1 1 39 39 LEU N N 39 119.948 119.948 120.198 -0.249 17849 217 1 . 1 1 39 39 LEU HA H 39 4.296 4.296 4.035 0.261 17849 218 1 . 1 1 39 39 LEU C C 39 176.723 176.723 177.959 -1.236 17849 219 1 . 1 1 39 39 LEU CA C 39 54.560 54.560 57.243 -2.683 17849 220 1 . 1 1 39 39 LEU CB C 39 41.989 41.989 42.513 -0.524 17849 221 1 . 1 1 39 39 LEU H H 39 7.331 7.331 7.772 -0.441 17849 222 1 . 1 1 40 40 GLY N N 40 105.997 105.997 103.444 2.553 17849 223 1 . 1 1 40 40 GLY C C 40 174.405 174.405 173.614 0.791 17849 224 1 . 1 1 40 40 GLY CA C 40 45.188 45.188 45.045 0.143 17849 225 1 . 1 1 40 40 GLY H H 40 7.889 7.889 7.885 0.004 17849 226 1 . 1 1 41 41 LEU N N 41 120.071 120.071 118.448 1.623 17849 227 1 . 1 1 41 41 LEU HA H 41 4.486 4.486 4.874 -0.388 17849 228 1 . 1 1 41 41 LEU C C 41 175.829 175.829 175.012 0.818 17849 229 1 . 1 1 41 41 LEU CA C 41 54.187 54.187 53.751 0.436 17849 230 1 . 1 1 41 41 LEU CB C 41 42.573 42.573 43.678 -1.105 17849 231 1 . 1 1 41 41 LEU H H 41 7.592 7.592 7.600 -0.008 17849 232 1 . 1 1 42 42 SER N N 42 112.869 112.869 114.800 -1.931 17849 233 1 . 1 1 42 42 SER HA H 42 4.797 4.797 4.831 -0.034 17849 234 1 . 1 1 42 42 SER CA C 42 54.960 54.960 55.508 -0.548 17849 235 1 . 1 1 42 42 SER CB C 42 63.177 63.177 63.898 -0.721 17849 236 1 . 1 1 42 42 SER H H 42 8.761 8.761 8.367 0.394 17849 237 1 . 1 1 43 43 PRO HA H 43 4.708 4.708 4.586 0.122 17849 238 1 . 1 1 43 43 PRO C C 43 177.533 177.533 176.186 1.347 17849 239 1 . 1 1 43 43 PRO CA C 43 62.175 62.175 62.410 -0.235 17849 240 1 . 1 1 43 43 PRO CB C 43 31.874 31.874 32.409 -0.535 17849 241 1 . 1 1 44 44 SER N N 44 119.089 119.089 118.076 1.013 17849 242 1 . 1 1 44 44 SER HA H 44 4.574 4.574 4.519 0.055 17849 243 1 . 1 1 44 44 SER C C 44 174.803 174.803 175.825 -1.022 17849 244 1 . 1 1 44 44 SER CA C 44 56.786 56.786 57.536 -0.750 17849 245 1 . 1 1 44 44 SER CB C 44 65.387 65.387 64.670 0.717 17849 246 1 . 1 1 44 44 SER H H 44 9.014 9.014 8.310 0.704 17849 247 1 . 1 1 45 45 GLU N N 45 121.343 121.343 125.475 -4.132 17849 248 1 . 1 1 45 45 GLU HA H 45 3.944 3.944 3.891 0.053 17849 249 1 . 1 1 45 45 GLU C C 45 178.978 178.978 178.099 0.879 17849 250 1 . 1 1 45 45 GLU CA C 45 60.106 60.106 59.944 0.162 17849 251 1 . 1 1 45 45 GLU CB C 45 29.303 29.303 29.567 -0.264 17849 252 1 . 1 1 45 45 GLU H H 45 8.925 8.925 9.047 -0.122 17849 253 1 . 1 1 46 46 ALA N N 46 120.822 120.822 121.099 -0.277 17849 254 1 . 1 1 46 46 ALA HA H 46 4.146 4.146 4.174 -0.028 17849 255 1 . 1 1 46 46 ALA C C 46 179.782 179.782 179.613 0.169 17849 256 1 . 1 1 46 46 ALA CA C 46 55.086 55.086 54.676 0.410 17849 257 1 . 1 1 46 46 ALA CB C 46 18.256 18.256 17.971 0.285 17849 258 1 . 1 1 46 46 ALA H H 46 8.339 8.339 8.225 0.115 17849 259 1 . 1 1 47 47 GLU N N 47 118.432 118.432 118.572 -0.140 17849 260 1 . 1 1 47 47 GLU HA H 47 4.074 4.074 4.145 -0.071 17849 261 1 . 1 1 47 47 GLU C C 47 180.222 180.222 178.783 1.439 17849 262 1 . 1 1 47 47 GLU CA C 47 59.209 59.209 58.919 0.290 17849 263 1 . 1 1 47 47 GLU CB C 47 29.885 29.885 29.496 0.389 17849 264 1 . 1 1 47 47 GLU H H 47 7.759 7.759 8.006 -0.247 17849 265 1 . 1 1 48 48 VAL N N 48 120.023 120.023 120.055 -0.032 17849 266 1 . 1 1 48 48 VAL HA H 48 3.498 3.498 3.707 -0.209 17849 267 1 . 1 1 48 48 VAL C C 48 177.380 177.380 177.697 -0.317 17849 268 1 . 1 1 48 48 VAL CA C 48 67.258 67.258 66.076 1.182 17849 269 1 . 1 1 48 48 VAL CB C 48 31.361 31.361 31.355 0.005 17849 270 1 . 1 1 48 48 VAL H H 48 8.174 8.174 8.480 -0.306 17849 271 1 . 1 1 49 49 ASN N N 49 118.475 118.475 118.013 0.462 17849 272 1 . 1 1 49 49 ASN HA H 49 4.405 4.405 4.370 0.035 17849 273 1 . 1 1 49 49 ASN C C 49 177.352 177.352 176.807 0.545 17849 274 1 . 1 1 49 49 ASN CA C 49 56.710 56.710 56.540 0.170 17849 275 1 . 1 1 49 49 ASN CB C 49 38.270 38.270 38.053 0.217 17849 276 1 . 1 1 49 49 ASN H H 49 8.208 8.208 8.270 -0.062 17849 277 1 . 1 1 50 50 ASP N N 50 120.147 120.147 120.206 -0.059 17849 278 1 . 1 1 50 50 ASP HA H 50 4.482 4.482 4.466 0.016 17849 279 1 . 1 1 50 50 ASP C C 50 178.973 178.973 178.473 0.500 17849 280 1 . 1 1 50 50 ASP CA C 50 57.440 57.440 56.782 0.658 17849 281 1 . 1 1 50 50 ASP CB C 50 40.180 40.180 40.965 -0.785 17849 282 1 . 1 1 50 50 ASP H H 50 8.400 8.400 7.608 0.792 17849 283 1 . 1 1 51 51 LEU N N 51 121.706 121.706 119.730 1.976 17849 284 1 . 1 1 51 51 LEU HA H 51 4.108 4.108 4.136 -0.028 17849 285 1 . 1 1 51 51 LEU C C 51 178.796 178.796 179.026 -0.230 17849 286 1 . 1 1 51 51 LEU CA C 51 58.132 58.132 57.245 0.887 17849 287 1 . 1 1 51 51 LEU CB C 51 41.890 41.890 41.931 -0.041 17849 288 1 . 1 1 51 51 LEU H H 51 7.830 7.830 7.805 0.025 17849 289 1 . 1 1 52 52 MET N N 52 117.267 117.267 116.154 1.113 17849 290 1 . 1 1 52 52 MET HA H 52 4.145 4.145 4.285 -0.140 17849 291 1 . 1 1 52 52 MET C C 52 178.260 178.260 178.245 0.014 17849 292 1 . 1 1 52 52 MET CA C 52 57.418 57.418 56.734 0.684 17849 293 1 . 1 1 52 52 MET CB C 52 30.089 30.089 31.337 -1.247 17849 294 1 . 1 1 52 52 MET H H 52 8.601 8.601 8.651 -0.050 17849 295 1 . 1 1 53 53 ASN N N 53 115.368 115.368 118.335 -2.967 17849 296 1 . 1 1 53 53 ASN HA H 53 4.573 4.573 4.503 0.070 17849 297 1 . 1 1 53 53 ASN C C 53 176.890 176.890 176.413 0.477 17849 298 1 . 1 1 53 53 ASN CA C 53 55.332 55.332 56.114 -0.782 17849 299 1 . 1 1 53 53 ASN CB C 53 38.154 38.154 38.673 -0.519 17849 300 1 . 1 1 53 53 ASN H H 53 8.239 8.239 8.099 0.140 17849 301 1 . 1 1 54 54 GLU N N 54 117.437 117.437 117.654 -0.217 17849 302 1 . 1 1 54 54 GLU HA H 54 4.250 4.250 4.140 0.110 17849 303 1 . 1 1 54 54 GLU C C 54 177.019 177.019 178.137 -1.118 17849 304 1 . 1 1 54 54 GLU CA C 54 57.687 57.687 58.479 -0.792 17849 305 1 . 1 1 54 54 GLU CB C 54 30.093 30.093 29.743 0.350 17849 306 1 . 1 1 54 54 GLU H H 54 7.625 7.625 7.674 -0.049 17849 307 1 . 1 1 55 55 ILE N N 55 117.098 117.098 117.571 -0.473 17849 308 1 . 1 1 55 55 ILE HA H 55 3.901 3.901 3.860 0.041 17849 309 1 . 1 1 55 55 ILE C C 55 176.027 176.027 175.942 0.085 17849 310 1 . 1 1 55 55 ILE CA C 55 62.637 62.637 63.307 -0.670 17849 311 1 . 1 1 55 55 ILE CB C 55 40.036 40.036 38.199 1.837 17849 312 1 . 1 1 55 55 ILE H H 55 7.496 7.496 7.420 0.076 17849 313 1 . 1 1 56 56 ASP N N 56 118.367 118.367 120.040 -1.673 17849 314 1 . 1 1 56 56 ASP HA H 56 4.417 4.417 4.706 -0.289 17849 315 1 . 1 1 56 56 ASP C C 56 175.761 175.761 176.234 -0.473 17849 316 1 . 1 1 56 56 ASP CA C 56 54.407 54.407 54.710 -0.303 17849 317 1 . 1 1 56 56 ASP CB C 56 41.233 41.233 41.339 -0.106 17849 318 1 . 1 1 56 56 ASP H H 56 8.329 8.329 7.757 0.572 17849 319 1 . 1 1 57 57 VAL N N 57 126.262 126.262 123.244 3.018 17849 320 1 . 1 1 57 57 VAL HA H 57 4.006 4.006 3.996 0.010 17849 321 1 . 1 1 57 57 VAL C C 57 177.253 177.253 176.607 0.646 17849 322 1 . 1 1 57 57 VAL CA C 57 64.225 64.225 63.924 0.301 17849 323 1 . 1 1 57 57 VAL CB C 57 33.186 33.186 32.449 0.737 17849 324 1 . 1 1 57 57 VAL H H 57 8.116 8.116 8.456 -0.340 17849 325 1 . 1 1 58 58 ASP N N 58 116.896 116.896 118.508 -1.612 17849 326 1 . 1 1 58 58 ASP HA H 58 4.572 4.572 4.628 -0.056 17849 327 1 . 1 1 58 58 ASP C C 58 177.670 177.670 176.775 0.895 17849 328 1 . 1 1 58 58 ASP CA C 58 53.805 53.805 53.859 -0.054 17849 329 1 . 1 1 58 58 ASP CB C 58 39.993 39.993 41.358 -1.365 17849 330 1 . 1 1 58 58 ASP H H 58 8.356 8.356 8.161 0.195 17849 331 1 . 1 1 59 59 GLY N N 59 107.989 107.989 108.672 -0.683 17849 332 1 . 1 1 59 59 GLY C C 59 174.661 174.661 174.863 -0.202 17849 333 1 . 1 1 59 59 GLY CA C 59 47.079 47.079 45.322 1.757 17849 334 1 . 1 1 59 59 GLY H H 59 7.622 7.622 8.238 -0.616 17849 335 1 . 1 1 60 60 ASN N N 60 118.703 118.703 118.337 0.366 17849 336 1 . 1 1 60 60 ASN HA H 60 4.542 4.542 4.474 0.068 17849 337 1 . 1 1 60 60 ASN C C 60 175.787 175.787 174.606 1.181 17849 338 1 . 1 1 60 60 ASN CA C 60 52.283 52.283 52.223 0.060 17849 339 1 . 1 1 60 60 ASN CB C 60 37.184 37.184 38.900 -1.716 17849 340 1 . 1 1 60 60 ASN H H 60 8.096 8.096 8.484 -0.388 17849 341 1 . 1 1 61 61 HIS N N 61 117.475 117.475 113.672 3.803 17849 342 1 . 1 1 61 61 HIS HA H 61 3.868 3.868 4.312 -0.444 17849 343 1 . 1 1 61 61 HIS C C 61 172.407 172.407 173.237 -0.830 17849 344 1 . 1 1 61 61 HIS CA C 61 56.428 56.428 57.040 -0.612 17849 345 1 . 1 1 61 61 HIS CB C 61 26.973 26.973 26.513 0.460 17849 346 1 . 1 1 61 61 HIS H H 61 9.998 9.998 8.417 1.581 17849 347 1 . 1 1 62 62 GLN N N 62 112.629 112.629 116.062 -3.433 17849 348 1 . 1 1 62 62 GLN HA H 62 4.809 4.809 5.298 -0.489 17849 349 1 . 1 1 62 62 GLN C C 62 174.654 174.654 174.677 -0.023 17849 350 1 . 1 1 62 62 GLN CA C 62 53.808 53.808 54.489 -0.681 17849 351 1 . 1 1 62 62 GLN CB C 62 32.125 32.125 32.885 -0.760 17849 352 1 . 1 1 62 62 GLN H H 62 7.541 7.541 8.651 -1.110 17849 353 1 . 1 1 63 63 ILE N N 63 123.800 123.800 125.186 -1.386 17849 354 1 . 1 1 63 63 ILE HA H 63 5.046 5.046 4.551 0.495 17849 355 1 . 1 1 63 63 ILE C C 63 176.626 176.626 175.954 0.672 17849 356 1 . 1 1 63 63 ILE CA C 63 59.893 59.893 58.347 1.546 17849 357 1 . 1 1 63 63 ILE CB C 63 39.180 39.180 37.750 1.430 17849 358 1 . 1 1 63 63 ILE H H 63 9.312 9.312 8.705 0.607 17849 359 1 . 1 1 64 64 GLU N N 64 128.941 128.941 127.048 1.893 17849 360 1 . 1 1 64 64 GLU HA H 64 4.976 4.976 4.823 0.153 17849 361 1 . 1 1 64 64 GLU C C 64 178.001 178.001 177.550 0.451 17849 362 1 . 1 1 64 64 GLU CA C 64 57.720 57.720 55.010 2.711 17849 363 1 . 1 1 64 64 GLU CB C 64 31.228 31.228 32.309 -1.081 17849 364 1 . 1 1 64 64 GLU H H 64 8.846 8.846 8.437 0.409 17849 365 1 . 1 1 65 65 PHE N N 65 124.119 124.119 122.821 1.298 17849 366 1 . 1 1 65 65 PHE HA H 65 3.526 3.526 4.101 -0.575 17849 367 1 . 1 1 65 65 PHE C C 65 176.981 176.981 176.875 0.106 17849 368 1 . 1 1 65 65 PHE CA C 65 62.264 62.264 61.415 0.849 17849 369 1 . 1 1 65 65 PHE CB C 65 37.824 37.824 39.120 -1.296 17849 370 1 . 1 1 65 65 PHE H H 65 9.488 9.488 9.043 0.445 17849 371 1 . 1 1 66 66 SER N N 66 112.445 112.445 114.463 -2.019 17849 372 1 . 1 1 66 66 SER HA H 66 3.667 3.667 4.216 -0.549 17849 373 1 . 1 1 66 66 SER C C 66 177.385 177.385 176.336 1.049 17849 374 1 . 1 1 66 66 SER CA C 66 61.503 61.503 61.439 0.064 17849 375 1 . 1 1 66 66 SER CB C 66 61.285 61.285 62.736 -1.451 17849 376 1 . 1 1 66 66 SER H H 66 8.972 8.972 8.382 0.590 17849 377 1 . 1 1 67 67 GLU N N 67 122.775 122.775 122.959 -0.184 17849 378 1 . 1 1 67 67 GLU HA H 67 4.120 4.120 4.001 0.119 17849 379 1 . 1 1 67 67 GLU C C 67 178.567 178.567 178.753 -0.186 17849 380 1 . 1 1 67 67 GLU CA C 67 57.843 57.843 59.282 -1.439 17849 381 1 . 1 1 67 67 GLU CB C 67 29.249 29.249 29.464 -0.215 17849 382 1 . 1 1 67 67 GLU H H 67 6.799 6.799 8.028 -1.229 17849 383 1 . 1 1 68 68 PHE N N 68 123.231 123.231 119.699 3.532 17849 384 1 . 1 1 68 68 PHE HA H 68 3.831 3.831 4.099 -0.268 17849 385 1 . 1 1 68 68 PHE C C 68 175.936 175.936 177.216 -1.280 17849 386 1 . 1 1 68 68 PHE CA C 68 61.116 61.116 61.295 -0.179 17849 387 1 . 1 1 68 68 PHE CB C 68 40.215 40.215 39.245 0.970 17849 388 1 . 1 1 68 68 PHE H H 68 8.176 8.176 8.685 -0.509 17849 389 1 . 1 1 69 69 LEU N N 69 118.554 118.554 117.875 0.679 17849 390 1 . 1 1 69 69 LEU HA H 69 3.166 3.166 3.605 -0.439 17849 391 1 . 1 1 69 69 LEU C C 69 179.074 179.074 178.287 0.787 17849 392 1 . 1 1 69 69 LEU CA C 69 57.132 57.132 57.092 0.040 17849 393 1 . 1 1 69 69 LEU CB C 69 41.266 41.266 41.355 -0.089 17849 394 1 . 1 1 69 69 LEU H H 69 8.626 8.626 7.539 1.088 17849 395 1 . 1 1 70 70 ALA N N 70 120.878 120.878 121.565 -0.687 17849 396 1 . 1 1 70 70 ALA HA H 70 3.885 3.885 3.996 -0.111 17849 397 1 . 1 1 70 70 ALA C C 70 179.914 179.914 179.510 0.404 17849 398 1 . 1 1 70 70 ALA CA C 70 54.970 54.970 54.513 0.457 17849 399 1 . 1 1 70 70 ALA CB C 70 17.777 17.777 18.260 -0.483 17849 400 1 . 1 1 70 70 ALA H H 70 7.322 7.322 7.798 -0.476 17849 401 1 . 1 1 71 71 LEU N N 71 118.871 118.871 117.126 1.745 17849 402 1 . 1 1 71 71 LEU HA H 71 3.928 3.928 3.746 0.182 17849 403 1 . 1 1 71 71 LEU C C 71 178.009 178.009 178.057 -0.048 17849 404 1 . 1 1 71 71 LEU CA C 71 57.744 57.744 57.104 0.640 17849 405 1 . 1 1 71 71 LEU CB C 71 41.412 41.412 41.341 0.071 17849 406 1 . 1 1 71 71 LEU H H 71 7.219 7.219 7.518 -0.299 17849 407 1 . 1 1 72 72 MET N N 72 113.480 113.480 113.585 -0.105 17849 408 1 . 1 1 72 72 MET HA H 72 4.165 4.165 4.315 -0.150 17849 409 1 . 1 1 72 72 MET CA C 72 55.413 55.413 56.756 -1.343 17849 410 1 . 1 1 72 72 MET CB C 72 31.199 31.199 33.134 -1.935 17849 411 1 . 1 1 72 72 MET H H 72 7.486 7.486 7.478 0.008 17849 412 1 . 1 1 73 73 SER HA H 73 4.337 4.337 4.470 -0.133 17849 413 1 . 1 1 73 73 SER C C 73 174.241 174.241 175.519 -1.278 17849 414 1 . 1 1 73 73 SER CA C 73 59.132 59.132 58.840 0.292 17849 415 1 . 1 1 73 73 SER CB C 73 63.649 63.649 63.750 -0.101 17849 416 1 . 1 1 73 73 SER H H 73 7.699 7.699 7.751 -0.052 17849 417 1 . 1 1 74 74 ARG N N 74 121.213 121.213 120.153 1.060 17849 418 1 . 1 1 74 74 ARG HA H 74 4.211 4.211 4.131 0.080 17849 419 1 . 1 1 74 74 ARG C C 74 175.638 175.638 176.240 -0.602 17849 420 1 . 1 1 74 74 ARG CA C 74 56.850 56.850 57.626 -0.776 17849 421 1 . 1 1 74 74 ARG CB C 74 30.672 30.672 30.190 0.482 17849 422 1 . 1 1 74 74 ARG H H 74 7.400 7.400 7.656 -0.256 17849 423 1 . 1 1 75 75 GLN N N 75 118.914 118.914 117.656 1.258 17849 424 1 . 1 1 75 75 GLN CB C 75 29.315 29.315 28.743 0.572 17849 425 1 . 1 1 75 75 GLN H H 75 8.090 8.090 7.874 0.216 17849 426 1 . 1 1 77 77 LYS HA H 77 4.387 4.387 4.293 0.094 17849 427 1 . 1 1 77 77 LYS C C 77 176.410 176.410 176.063 0.347 17849 428 1 . 1 1 77 77 LYS CA C 77 56.042 56.042 56.538 -0.497 17849 429 1 . 1 1 77 77 LYS CB C 77 33.157 33.157 33.451 -0.294 17849 430 1 . 1 1 78 78 SER N N 78 116.257 116.257 116.551 -0.294 17849 431 1 . 1 1 78 78 SER HA H 78 4.422 4.422 4.282 0.140 17849 432 1 . 1 1 78 78 SER C C 78 174.436 174.436 173.898 0.538 17849 433 1 . 1 1 78 78 SER CA C 78 58.366 58.366 58.883 -0.517 17849 434 1 . 1 1 78 78 SER CB C 78 63.855 63.855 62.927 0.928 17849 435 1 . 1 1 78 78 SER H H 78 8.332 8.332 8.386 -0.054 17849 436 1 . 1 1 79 79 ASN N N 79 120.267 120.267 120.886 -0.619 17849 437 1 . 1 1 79 79 ASN HA H 79 4.727 4.727 4.647 0.080 17849 438 1 . 1 1 79 79 ASN C C 79 174.966 174.966 174.167 0.799 17849 439 1 . 1 1 79 79 ASN CA C 79 53.467 53.467 53.329 0.137 17849 440 1 . 1 1 79 79 ASN CB C 79 38.869 38.869 39.291 -0.422 17849 441 1 . 1 1 79 79 ASN H H 79 8.548 8.548 8.204 0.344 17849 442 1 . 1 1 80 80 ASP N N 80 119.659 119.659 121.038 -1.379 17849 443 1 . 1 1 80 80 ASP HA H 80 4.617 4.617 4.612 0.005 17849 444 1 . 1 1 80 80 ASP C C 80 176.412 176.412 175.487 0.925 17849 445 1 . 1 1 80 80 ASP CA C 80 54.710 54.710 54.549 0.161 17849 446 1 . 1 1 80 80 ASP CB C 80 41.223 41.223 40.764 0.459 17849 447 1 . 1 1 80 80 ASP H H 80 8.325 8.325 8.449 -0.124 17849 448 1 . 1 1 81 81 SER N N 81 115.425 115.425 114.837 0.588 17849 449 1 . 1 1 81 81 SER HA H 81 4.414 4.414 4.410 0.004 17849 450 1 . 1 1 81 81 SER C C 81 174.733 174.733 173.664 1.069 17849 451 1 . 1 1 81 81 SER CA C 81 59.183 59.183 58.574 0.609 17849 452 1 . 1 1 81 81 SER CB C 81 63.784 63.784 64.517 -0.733 17849 453 1 . 1 1 81 81 SER H H 81 8.256 8.256 8.003 0.253 17849 454 1 . 1 1 82 82 GLU N N 82 121.456 121.456 121.654 -0.198 17849 455 1 . 1 1 82 82 GLU HA H 82 4.323 4.323 4.180 0.143 17849 456 1 . 1 1 82 82 GLU C C 82 176.385 176.385 176.294 0.091 17849 457 1 . 1 1 82 82 GLU CA C 82 56.728 56.728 57.214 -0.486 17849 458 1 . 1 1 82 82 GLU CB C 82 29.872 29.872 29.867 0.005 17849 459 1 . 1 1 82 82 GLU H H 82 8.375 8.375 8.390 -0.015 17849 460 1 . 1 1 83 83 GLN N N 83 120.069 120.069 120.879 -0.810 17849 461 1 . 1 1 83 83 GLN HA H 83 4.305 4.305 4.340 -0.035 17849 462 1 . 1 1 83 83 GLN C C 83 176.054 176.054 176.603 -0.549 17849 463 1 . 1 1 83 83 GLN CA C 83 56.147 56.147 56.465 -0.318 17849 464 1 . 1 1 83 83 GLN CB C 83 29.303 29.303 29.139 0.164 17849 465 1 . 1 1 83 83 GLN H H 83 8.233 8.233 8.535 -0.302 17849 466 1 . 1 1 84 84 GLU N N 84 122.390 122.390 119.633 2.757 17849 467 1 . 1 1 84 84 GLU HA H 84 4.291 4.291 4.254 0.037 17849 468 1 . 1 1 84 84 GLU C C 84 177.528 177.528 177.452 0.076 17849 469 1 . 1 1 84 84 GLU CA C 84 57.198 57.198 58.310 -1.112 17849 470 1 . 1 1 84 84 GLU CB C 84 30.113 30.113 29.347 0.766 17849 471 1 . 1 1 84 84 GLU H H 84 8.567 8.567 8.423 0.144 17849 472 1 . 1 1 85 85 LEU N N 85 122.788 122.788 119.977 2.811 17849 473 1 . 1 1 85 85 LEU HA H 85 4.195 4.195 4.212 -0.017 17849 474 1 . 1 1 85 85 LEU CA C 85 56.517 56.517 56.732 -0.215 17849 475 1 . 1 1 85 85 LEU CB C 85 42.416 42.416 41.165 1.251 17849 476 1 . 1 1 85 85 LEU H H 85 8.434 8.434 7.919 0.515 17849 477 1 . 1 1 86 86 LEU N N 86 119.558 119.558 118.180 1.378 17849 478 1 . 1 1 86 86 LEU HA H 86 4.157 4.157 4.126 0.031 17849 479 1 . 1 1 86 86 LEU CA C 86 56.119 56.119 57.616 -1.497 17849 480 1 . 1 1 86 86 LEU CB C 86 41.558 41.558 41.555 0.003 17849 481 1 . 1 1 86 86 LEU H H 86 8.037 8.037 7.874 0.163 17849 482 1 . 1 1 87 87 GLU N N 87 121.323 121.323 118.395 2.928 17849 483 1 . 1 1 87 87 GLU HA H 87 3.923 3.923 4.050 -0.127 17849 484 1 . 1 1 87 87 GLU CA C 87 59.547 59.547 58.912 0.635 17849 485 1 . 1 1 87 87 GLU CB C 87 29.343 29.343 29.077 0.266 17849 486 1 . 1 1 87 87 GLU H H 87 8.192 8.192 8.134 0.058 17849 487 1 . 1 1 88 88 ALA N N 88 119.942 119.942 121.343 -1.400 17849 488 1 . 1 1 88 88 ALA HA H 88 4.076 4.076 4.351 -0.275 17849 489 1 . 1 1 88 88 ALA C C 88 178.281 178.281 178.195 0.086 17849 490 1 . 1 1 88 88 ALA CA C 88 54.481 54.481 53.775 0.706 17849 491 1 . 1 1 88 88 ALA CB C 88 18.810 18.810 19.107 -0.297 17849 492 1 . 1 1 88 88 ALA H H 88 8.363 8.363 7.731 0.632 17849 493 1 . 1 1 89 89 PHE N N 89 111.807 111.807 116.665 -4.858 17849 494 1 . 1 1 89 89 PHE HA H 89 4.489 4.489 4.363 0.126 17849 495 1 . 1 1 89 89 PHE C C 89 176.632 176.632 175.851 0.781 17849 496 1 . 1 1 89 89 PHE CA C 89 58.478 58.478 57.313 1.165 17849 497 1 . 1 1 89 89 PHE CB C 89 38.642 38.642 39.293 -0.651 17849 498 1 . 1 1 89 89 PHE H H 89 7.855 7.855 7.961 -0.106 17849 499 1 . 1 1 90 90 LYS N N 90 120.375 120.375 121.577 -1.202 17849 500 1 . 1 1 90 90 LYS HA H 90 3.998 3.998 4.219 -0.221 17849 501 1 . 1 1 90 90 LYS C C 90 178.490 178.490 177.828 0.662 17849 502 1 . 1 1 90 90 LYS CA C 90 59.994 59.994 57.981 2.013 17849 503 1 . 1 1 90 90 LYS CB C 90 31.914 31.914 32.342 -0.428 17849 504 1 . 1 1 90 90 LYS H H 90 7.957 7.957 7.778 0.179 17849 505 1 . 1 1 91 91 VAL N N 91 116.643 116.643 119.250 -2.607 17849 506 1 . 1 1 91 91 VAL HA H 91 3.874 3.874 3.757 0.117 17849 507 1 . 1 1 91 91 VAL C C 91 175.413 175.413 176.589 -1.176 17849 508 1 . 1 1 91 91 VAL CA C 91 63.693 63.693 65.161 -1.468 17849 509 1 . 1 1 91 91 VAL CB C 91 31.234 31.234 31.538 -0.304 17849 510 1 . 1 1 91 91 VAL H H 91 7.389 7.389 7.739 -0.350 17849 511 1 . 1 1 92 92 PHE N N 92 115.769 115.769 114.370 1.399 17849 512 1 . 1 1 92 92 PHE HA H 92 4.520 4.520 4.374 0.146 17849 513 1 . 1 1 92 92 PHE CA C 92 59.175 59.175 58.126 1.049 17849 514 1 . 1 1 92 92 PHE CB C 92 40.234 40.234 38.746 1.488 17849 515 1 . 1 1 92 92 PHE H H 92 7.534 7.534 7.489 0.045 17849 516 1 . 1 1 93 93 ASP N N 93 115.397 115.397 119.459 -4.062 17849 517 1 . 1 1 93 93 ASP HA H 93 4.858 4.858 4.909 -0.051 17849 518 1 . 1 1 93 93 ASP C C 93 177.421 177.421 176.864 0.557 17849 519 1 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.748 -1.282 17849 520 1 . 1 1 93 93 ASP CB C 93 38.980 38.980 40.547 -1.567 17849 521 1 . 1 1 93 93 ASP H H 93 7.543 7.543 8.062 -0.519 17849 522 1 . 1 1 94 94 LYS N N 94 125.591 125.591 124.647 0.944 17849 523 1 . 1 1 94 94 LYS HA H 94 4.079 4.079 4.263 -0.184 17849 524 1 . 1 1 94 94 LYS C C 94 177.856 177.856 177.462 0.394 17849 525 1 . 1 1 94 94 LYS CA C 94 57.930 57.930 57.200 0.730 17849 526 1 . 1 1 94 94 LYS CB C 94 32.394 32.394 32.674 -0.280 17849 527 1 . 1 1 94 94 LYS H H 94 7.873 7.873 8.288 -0.415 17849 528 1 . 1 1 95 95 ASN N N 95 112.796 112.796 116.382 -3.586 17849 529 1 . 1 1 95 95 ASN HA H 95 4.797 4.797 4.689 0.108 17849 530 1 . 1 1 95 95 ASN C C 95 176.619 176.619 175.795 0.824 17849 531 1 . 1 1 95 95 ASN CA C 95 51.910 51.910 52.984 -1.074 17849 532 1 . 1 1 95 95 ASN CB C 95 37.276 37.276 38.179 -0.903 17849 533 1 . 1 1 95 95 ASN H H 95 8.272 8.272 7.912 0.360 17849 534 1 . 1 1 96 96 GLY N N 96 109.132 109.132 108.800 0.332 17849 535 1 . 1 1 96 96 GLY C C 96 174.799 174.799 174.248 0.551 17849 536 1 . 1 1 96 96 GLY CA C 96 47.571 47.571 46.286 1.285 17849 537 1 . 1 1 96 96 GLY H H 96 7.654 7.654 7.883 -0.229 17849 538 1 . 1 1 97 97 ASP N N 97 118.796 118.796 120.856 -2.060 17849 539 1 . 1 1 97 97 ASP HA H 97 4.530 4.530 4.647 -0.117 17849 540 1 . 1 1 97 97 ASP C C 97 177.137 177.137 177.486 -0.349 17849 541 1 . 1 1 97 97 ASP CA C 97 53.392 53.392 53.613 -0.221 17849 542 1 . 1 1 97 97 ASP CB C 97 40.389 40.389 41.748 -1.359 17849 543 1 . 1 1 97 97 ASP H H 97 8.090 8.090 8.456 -0.366 17849 544 1 . 1 1 98 98 GLY N N 98 112.962 112.962 107.700 5.262 17849 545 1 . 1 1 98 98 GLY C C 98 172.142 172.142 173.626 -1.484 17849 546 1 . 1 1 98 98 GLY CA C 98 45.724 45.724 45.591 0.133 17849 547 1 . 1 1 98 98 GLY H H 98 10.329 10.329 8.344 1.985 17849 548 1 . 1 1 99 99 LEU N N 99 119.691 119.691 120.658 -0.967 17849 549 1 . 1 1 99 99 LEU HA H 99 4.762 4.762 4.742 0.020 17849 550 1 . 1 1 99 99 LEU C C 99 176.162 176.162 174.719 1.443 17849 551 1 . 1 1 99 99 LEU CA C 99 52.824 52.824 53.959 -1.135 17849 552 1 . 1 1 99 99 LEU CB C 99 44.782 44.782 45.056 -0.274 17849 553 1 . 1 1 99 99 LEU H H 99 8.000 8.000 8.020 -0.020 17849 554 1 . 1 1 100 100 ILE N N 100 127.464 127.464 118.348 9.116 17849 555 1 . 1 1 100 100 ILE HA H 100 4.674 4.674 4.870 -0.196 17849 556 1 . 1 1 100 100 ILE C C 100 175.006 175.006 174.700 0.306 17849 557 1 . 1 1 100 100 ILE CA C 100 60.420 60.420 59.359 1.061 17849 558 1 . 1 1 100 100 ILE CB C 100 37.811 37.811 40.752 -2.941 17849 559 1 . 1 1 100 100 ILE H H 100 9.491 9.491 8.162 1.329 17849 560 1 . 1 1 101 101 SER N N 101 123.104 123.104 118.886 4.218 17849 561 1 . 1 1 101 101 SER HA H 101 4.770 4.770 4.834 -0.064 17849 562 1 . 1 1 101 101 SER C C 101 174.847 174.847 175.365 -0.518 17849 563 1 . 1 1 101 101 SER CA C 101 55.854 55.854 56.670 -0.816 17849 564 1 . 1 1 101 101 SER CB C 101 65.994 65.994 65.794 0.200 17849 565 1 . 1 1 101 101 SER H H 101 9.058 9.058 8.259 0.799 17849 566 1 . 1 1 102 102 ALA N N 102 124.316 124.316 123.734 0.582 17849 567 1 . 1 1 102 102 ALA HA H 102 3.616 3.616 4.311 -0.695 17849 568 1 . 1 1 102 102 ALA C C 102 179.388 179.388 179.043 0.345 17849 569 1 . 1 1 102 102 ALA CA C 102 55.724 55.724 55.153 0.571 17849 570 1 . 1 1 102 102 ALA CB C 102 17.315 17.315 18.118 -0.803 17849 571 1 . 1 1 102 102 ALA H H 102 8.587 8.587 8.675 -0.088 17849 572 1 . 1 1 103 103 ALA N N 103 118.346 118.346 120.634 -2.288 17849 573 1 . 1 1 103 103 ALA HA H 103 4.000 4.000 3.987 0.013 17849 574 1 . 1 1 103 103 ALA C C 103 181.188 181.188 179.364 1.825 17849 575 1 . 1 1 103 103 ALA CA C 103 55.058 55.058 54.627 0.431 17849 576 1 . 1 1 103 103 ALA CB C 103 18.389 18.389 18.160 0.229 17849 577 1 . 1 1 103 103 ALA H H 103 8.266 8.266 8.298 -0.032 17849 578 1 . 1 1 104 104 GLU N N 104 120.568 120.568 118.807 1.761 17849 579 1 . 1 1 104 104 GLU HA H 104 4.056 4.056 4.139 -0.083 17849 580 1 . 1 1 104 104 GLU C C 104 178.762 178.762 178.618 0.144 17849 581 1 . 1 1 104 104 GLU CA C 104 59.968 59.968 58.995 0.973 17849 582 1 . 1 1 104 104 GLU CB C 104 28.911 28.911 29.661 -0.750 17849 583 1 . 1 1 104 104 GLU H H 104 7.928 7.928 8.198 -0.270 17849 584 1 . 1 1 105 105 LEU N N 105 117.903 117.903 119.178 -1.275 17849 585 1 . 1 1 105 105 LEU HA H 105 4.029 4.029 4.097 -0.068 17849 586 1 . 1 1 105 105 LEU C C 105 178.497 178.497 178.365 0.132 17849 587 1 . 1 1 105 105 LEU CA C 105 58.453 58.453 57.448 1.005 17849 588 1 . 1 1 105 105 LEU CB C 105 43.192 43.192 42.129 1.063 17849 589 1 . 1 1 105 105 LEU H H 105 7.926 7.926 8.194 -0.268 17849 590 1 . 1 1 106 106 LYS N N 106 115.836 115.836 117.767 -1.931 17849 591 1 . 1 1 106 106 LYS HA H 106 3.799 3.799 4.214 -0.415 17849 592 1 . 1 1 106 106 LYS C C 106 179.102 179.102 178.348 0.755 17849 593 1 . 1 1 106 106 LYS CA C 106 60.172 60.172 58.566 1.606 17849 594 1 . 1 1 106 106 LYS CB C 106 32.610 32.610 32.530 0.080 17849 595 1 . 1 1 106 106 LYS H H 106 8.337 8.337 7.955 0.382 17849 596 1 . 1 1 107 107 HIS N N 107 119.620 119.620 118.723 0.897 17849 597 1 . 1 1 107 107 HIS HA H 107 4.254 4.254 4.491 -0.237 17849 598 1 . 1 1 107 107 HIS C C 107 178.167 178.167 177.457 0.710 17849 599 1 . 1 1 107 107 HIS CA C 107 59.928 59.928 58.188 1.740 17849 600 1 . 1 1 107 107 HIS CB C 107 30.584 30.584 30.371 0.213 17849 601 1 . 1 1 107 107 HIS H H 107 8.502 8.502 8.000 0.502 17849 602 1 . 1 1 108 108 VAL N N 108 118.595 118.595 120.525 -1.930 17849 603 1 . 1 1 108 108 VAL HA H 108 3.656 3.656 3.705 -0.049 17849 604 1 . 1 1 108 108 VAL C C 108 178.608 178.608 176.840 1.768 17849 605 1 . 1 1 108 108 VAL CA C 108 66.356 66.356 65.375 0.981 17849 606 1 . 1 1 108 108 VAL CB C 108 32.315 32.315 31.233 1.082 17849 607 1 . 1 1 108 108 VAL H H 108 8.348 8.348 7.882 0.466 17849 608 1 . 1 1 109 109 LEU N N 109 116.755 116.755 116.483 0.272 17849 609 1 . 1 1 109 109 LEU HA H 109 4.144 4.144 4.003 0.141 17849 610 1 . 1 1 109 109 LEU C C 109 179.267 179.267 177.941 1.326 17849 611 1 . 1 1 109 109 LEU CA C 109 57.454 57.454 57.229 0.225 17849 612 1 . 1 1 109 109 LEU CB C 109 42.103 42.103 41.540 0.563 17849 613 1 . 1 1 109 109 LEU H H 109 8.251 8.251 7.576 0.675 17849 614 1 . 1 1 110 110 THR N N 110 111.046 111.046 110.665 0.381 17849 615 1 . 1 1 110 110 THR HA H 110 4.256 4.256 4.314 -0.058 17849 616 1 . 1 1 110 110 THR C C 110 175.897 175.897 175.095 0.802 17849 617 1 . 1 1 110 110 THR CA C 110 64.465 64.465 63.198 1.267 17849 618 1 . 1 1 110 110 THR CB C 110 69.431 69.431 69.329 0.102 17849 619 1 . 1 1 110 110 THR H H 110 8.085 8.085 7.697 0.388 17849 620 1 . 1 1 111 111 SER N N 111 117.074 117.074 117.597 -0.523 17849 621 1 . 1 1 111 111 SER HA H 111 4.406 4.406 4.245 0.161 17849 622 1 . 1 1 111 111 SER C C 111 175.051 175.051 175.303 -0.252 17849 623 1 . 1 1 111 111 SER CA C 111 59.968 59.968 60.501 -0.533 17849 624 1 . 1 1 111 111 SER CB C 111 63.391 63.391 63.556 -0.165 17849 625 1 . 1 1 111 111 SER H H 111 7.681 7.681 7.600 0.081 17849 626 1 . 1 1 112 112 ILE N N 112 119.783 119.783 117.586 2.197 17849 627 1 . 1 1 112 112 ILE HA H 112 4.091 4.091 3.792 0.299 17849 628 1 . 1 1 112 112 ILE C C 112 177.040 177.040 175.730 1.310 17849 629 1 . 1 1 112 112 ILE CA C 112 62.524 62.524 62.376 0.148 17849 630 1 . 1 1 112 112 ILE CB C 112 38.344 38.344 36.422 1.922 17849 631 1 . 1 1 112 112 ILE H H 112 7.444 7.444 7.550 -0.106 17849 632 1 . 1 1 113 113 GLY N N 113 110.432 110.432 109.470 0.962 17849 633 1 . 1 1 113 113 GLY C C 113 174.442 174.442 174.147 0.295 17849 634 1 . 1 1 113 113 GLY CA C 113 45.643 45.643 44.899 0.744 17849 635 1 . 1 1 113 113 GLY H H 113 8.148 8.148 7.899 0.249 17849 636 1 . 1 1 114 114 GLU N N 114 120.374 120.374 122.064 -1.690 17849 637 1 . 1 1 114 114 GLU HA H 114 4.266 4.266 4.212 0.054 17849 638 1 . 1 1 114 114 GLU C C 114 176.556 176.556 176.807 -0.251 17849 639 1 . 1 1 114 114 GLU CA C 114 56.773 56.773 56.866 -0.092 17849 640 1 . 1 1 114 114 GLU CB C 114 30.290 30.290 30.238 0.052 17849 641 1 . 1 1 114 114 GLU H H 114 8.092 8.092 8.315 -0.223 17849 642 1 . 1 1 115 115 LYS N N 115 121.383 121.383 119.937 1.446 17849 643 1 . 1 1 115 115 LYS HA H 115 4.335 4.335 4.146 0.189 17849 644 1 . 1 1 115 115 LYS C C 115 176.654 176.654 175.388 1.266 17849 645 1 . 1 1 115 115 LYS CA C 115 56.299 56.299 56.801 -0.502 17849 646 1 . 1 1 115 115 LYS CB C 115 32.839 32.839 31.886 0.953 17849 647 1 . 1 1 115 115 LYS H H 115 8.221 8.221 8.269 -0.048 17849 648 1 . 1 1 116 116 LEU N N 116 123.146 123.146 120.357 2.789 17849 649 1 . 1 1 116 116 LEU HA H 116 4.421 4.421 4.654 -0.233 17849 650 1 . 1 1 116 116 LEU C C 116 177.677 177.677 175.747 1.930 17849 651 1 . 1 1 116 116 LEU CA C 116 55.320 55.320 54.806 0.514 17849 652 1 . 1 1 116 116 LEU CB C 116 42.309 42.309 43.671 -1.362 17849 653 1 . 1 1 116 116 LEU H H 116 8.265 8.265 8.089 0.176 17849 654 1 . 1 1 117 117 THR N N 117 113.859 113.859 112.599 1.260 17849 655 1 . 1 1 117 117 THR HA H 117 4.337 4.337 4.531 -0.194 17849 656 1 . 1 1 117 117 THR C C 117 174.535 174.535 174.052 0.483 17849 657 1 . 1 1 117 117 THR CA C 117 61.824 61.824 60.850 0.974 17849 658 1 . 1 1 117 117 THR CB C 117 70.096 70.096 71.060 -0.964 17849 659 1 . 1 1 117 117 THR H H 117 8.182 8.182 8.063 0.119 17849 660 1 . 1 1 118 118 ASP N N 118 122.049 122.049 120.002 2.047 17849 661 1 . 1 1 118 118 ASP HA H 118 4.533 4.533 4.728 -0.195 17849 662 1 . 1 1 118 118 ASP C C 118 176.728 176.728 177.050 -0.322 17849 663 1 . 1 1 118 118 ASP CA C 118 55.218 55.218 55.491 -0.273 17849 664 1 . 1 1 118 118 ASP CB C 118 40.852 40.852 40.873 -0.021 17849 665 1 . 1 1 118 118 ASP H H 118 8.367 8.367 8.608 -0.241 17849 666 1 . 1 1 119 119 ALA N N 119 123.432 123.432 120.549 2.883 17849 667 1 . 1 1 119 119 ALA HA H 119 4.219 4.219 4.338 -0.119 17849 668 1 . 1 1 119 119 ALA C C 119 178.486 178.486 177.964 0.522 17849 669 1 . 1 1 119 119 ALA CA C 119 53.433 53.433 52.803 0.630 17849 670 1 . 1 1 119 119 ALA CB C 119 19.075 19.075 18.313 0.762 17849 671 1 . 1 1 119 119 ALA H H 119 8.206 8.206 7.782 0.424 17849 672 1 . 1 1 120 120 GLU N N 120 118.592 118.592 118.226 0.366 17849 673 1 . 1 1 120 120 GLU HA H 120 4.182 4.182 4.067 0.115 17849 674 1 . 1 1 120 120 GLU C C 120 177.133 177.133 177.439 -0.306 17849 675 1 . 1 1 120 120 GLU CA C 120 57.105 57.105 58.800 -1.695 17849 676 1 . 1 1 120 120 GLU CB C 120 30.052 30.052 29.585 0.467 17849 677 1 . 1 1 120 120 GLU H H 120 8.187 8.187 8.147 0.040 17849 678 1 . 1 1 121 121 LEU N N 121 121.427 121.427 113.801 7.626 17849 679 1 . 1 1 121 121 LEU HA H 121 4.204 4.204 4.558 -0.354 17849 680 1 . 1 1 121 121 LEU C C 121 177.710 177.710 177.645 0.065 17849 681 1 . 1 1 121 121 LEU CA C 121 55.752 55.752 55.450 0.302 17849 682 1 . 1 1 121 121 LEU CB C 121 42.258 42.258 43.006 -0.748 17849 683 1 . 1 1 121 121 LEU H H 121 8.020 8.020 7.433 0.587 17849 684 1 . 1 1 122 122 GLU N N 122 119.850 119.850 119.852 -0.002 17849 685 1 . 1 1 122 122 GLU HA H 122 4.127 4.127 4.109 0.018 17849 686 1 . 1 1 122 122 GLU C C 122 176.518 176.518 176.086 0.432 17849 687 1 . 1 1 122 122 GLU CA C 122 57.014 57.014 57.308 -0.294 17849 688 1 . 1 1 122 122 GLU CB C 122 30.056 30.056 29.073 0.983 17849 689 1 . 1 1 122 122 GLU H H 122 8.118 8.118 7.999 0.119 17849 690 1 . 1 1 123 123 HIS N N 123 118.817 118.817 120.295 -1.478 17849 691 1 . 1 1 123 123 HIS CA C 123 56.259 56.259 55.745 0.514 17849 692 1 . 1 1 123 123 HIS H H 123 8.106 8.106 8.133 -0.027 17849 stop_ save_