data_25817 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25817 _Entry.PDB_ID 2N7Q 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 25817 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 114.638 114.638 116.021 -1.383 25817 2 1 1 . 1 1 2 2 SER HA H 2 4.435 4.435 4.104 0.331 25817 3 1 1 . 1 1 2 2 SER C C 2 174.655 174.655 176.148 -1.493 25817 4 1 1 . 1 1 2 2 SER CA C 2 58.287 58.287 60.544 -2.257 25817 5 1 1 . 1 1 2 2 SER CB C 2 64.193 64.193 62.700 1.493 25817 6 1 1 . 1 1 2 2 SER H H 2 8.068 8.068 8.715 -0.647 25817 7 1 1 . 1 1 3 3 LYS N N 3 122.754 122.754 119.890 2.864 25817 8 1 1 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.973 0.233 25817 9 1 1 . 1 1 3 3 LYS C C 3 177.164 177.164 178.612 -1.448 25817 10 1 1 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.945 -1.892 25817 11 1 1 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.212 -0.184 25817 12 1 1 . 1 1 3 3 LYS H H 3 8.368 8.368 8.391 -0.023 25817 13 1 1 . 1 1 4 4 GLU N N 4 118.462 118.462 119.883 -1.421 25817 14 1 1 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.101 -0.063 25817 15 1 1 . 1 1 4 4 GLU C C 4 177.164 177.164 178.863 -1.699 25817 16 1 1 . 1 1 4 4 GLU CA C 4 59.285 59.285 58.860 0.425 25817 17 1 1 . 1 1 4 4 GLU CB C 4 28.765 28.765 28.977 -0.212 25817 18 1 1 . 1 1 4 4 GLU H H 4 8.411 8.411 8.247 0.164 25817 19 1 1 . 1 1 5 5 LEU N N 5 119.346 119.346 120.070 -0.724 25817 20 1 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.954 0.222 25817 21 1 1 . 1 1 5 5 LEU C C 5 179.105 179.105 178.822 0.283 25817 22 1 1 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.330 -1.255 25817 23 1 1 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.901 -0.055 25817 24 1 1 . 1 1 5 5 LEU H H 5 7.879 7.879 7.946 -0.067 25817 25 1 1 . 1 1 6 6 GLU N N 6 120.818 120.818 120.278 0.540 25817 26 1 1 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.986 -0.010 25817 27 1 1 . 1 1 6 6 GLU C C 6 177.071 177.071 179.304 -2.233 25817 28 1 1 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.826 -0.575 25817 29 1 1 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.748 -1.320 25817 30 1 1 . 1 1 6 6 GLU H H 6 8.349 8.349 8.146 0.203 25817 31 1 1 . 1 1 7 7 LEU N N 7 118.820 118.820 120.093 -1.273 25817 32 1 1 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.984 0.110 25817 33 1 1 . 1 1 7 7 LEU C C 7 179.724 179.724 179.212 0.512 25817 34 1 1 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.203 -0.175 25817 35 1 1 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.024 -0.118 25817 36 1 1 . 1 1 7 7 LEU H H 7 8.219 8.219 8.197 0.022 25817 37 1 1 . 1 1 8 8 ILE N N 8 120.124 120.124 119.679 0.445 25817 38 1 1 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.646 0.075 25817 39 1 1 . 1 1 8 8 ILE C C 8 176.524 176.524 178.403 -1.879 25817 40 1 1 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.396 -0.295 25817 41 1 1 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.708 0.346 25817 42 1 1 . 1 1 8 8 ILE H H 8 8.336 8.336 7.983 0.353 25817 43 1 1 . 1 1 9 9 THR N N 9 116.052 116.052 116.617 -0.565 25817 44 1 1 . 1 1 9 9 THR HA H 9 4.204 4.204 3.949 0.255 25817 45 1 1 . 1 1 9 9 THR C C 9 176.094 176.094 176.795 -0.701 25817 46 1 1 . 1 1 9 9 THR CA C 9 67.399 67.399 67.406 -0.007 25817 47 1 1 . 1 1 9 9 THR H H 9 7.900 7.900 8.071 -0.171 25817 48 1 1 . 1 1 10 10 LEU N N 10 119.799 119.799 122.053 -2.254 25817 49 1 1 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.066 -0.091 25817 50 1 1 . 1 1 10 10 LEU C C 10 177.752 177.752 178.511 -0.759 25817 51 1 1 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.071 0.206 25817 52 1 1 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.919 0.461 25817 53 1 1 . 1 1 10 10 LEU H H 10 8.045 8.045 8.240 -0.195 25817 54 1 1 . 1 1 11 11 THR N N 11 114.472 114.472 116.411 -1.939 25817 55 1 1 . 1 1 11 11 THR HA H 11 4.200 4.200 4.053 0.147 25817 56 1 1 . 1 1 11 11 THR C C 11 176.296 176.296 176.991 -0.695 25817 57 1 1 . 1 1 11 11 THR CA C 11 68.061 68.061 67.000 1.061 25817 58 1 1 . 1 1 11 11 THR H H 11 7.904 7.904 8.065 -0.161 25817 59 1 1 . 1 1 12 12 VAL N N 12 120.338 120.338 121.024 -0.686 25817 60 1 1 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.656 -0.094 25817 61 1 1 . 1 1 12 12 VAL C C 12 177.759 177.759 177.752 0.007 25817 62 1 1 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.120 -0.196 25817 63 1 1 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.497 0.070 25817 64 1 1 . 1 1 12 12 VAL H H 12 8.297 8.297 7.795 0.502 25817 65 1 1 . 1 1 13 13 GLY N N 13 106.329 106.329 108.372 -2.043 25817 66 1 1 . 1 1 13 13 GLY C C 13 174.383 174.383 175.841 -1.458 25817 67 1 1 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.419 0.334 25817 68 1 1 . 1 1 13 13 GLY H H 13 8.519 8.519 7.986 0.533 25817 69 1 1 . 1 1 14 14 PHE N N 14 120.488 120.488 122.924 -2.436 25817 70 1 1 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.270 -0.070 25817 71 1 1 . 1 1 14 14 PHE C C 14 177.591 177.591 177.331 0.260 25817 72 1 1 . 1 1 14 14 PHE CA C 14 61.622 61.622 59.839 1.784 25817 73 1 1 . 1 1 14 14 PHE CB C 14 38.916 38.916 38.991 -0.075 25817 74 1 1 . 1 1 14 14 PHE H H 14 8.641 8.641 8.440 0.201 25817 75 1 1 . 1 1 15 15 GLY N N 15 106.569 106.569 108.131 -1.562 25817 76 1 1 . 1 1 15 15 GLY C C 15 174.533 174.533 175.777 -1.244 25817 77 1 1 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.112 0.520 25817 78 1 1 . 1 1 15 15 GLY H H 15 8.573 8.573 7.937 0.636 25817 79 1 1 . 1 1 16 16 ILE N N 16 120.720 120.720 123.105 -2.385 25817 80 1 1 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.642 -0.017 25817 81 1 1 . 1 1 16 16 ILE C C 16 178.658 178.658 177.704 0.954 25817 82 1 1 . 1 1 16 16 ILE CA C 16 65.430 65.430 65.117 0.313 25817 83 1 1 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.986 -0.798 25817 84 1 1 . 1 1 16 16 ILE H H 16 8.573 8.573 8.132 0.441 25817 85 1 1 . 1 1 17 17 LEU N N 17 123.135 123.135 120.337 2.798 25817 86 1 1 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.895 0.058 25817 87 1 1 . 1 1 17 17 LEU C C 17 178.226 178.226 178.922 -0.696 25817 88 1 1 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.473 0.444 25817 89 1 1 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.707 -0.161 25817 90 1 1 . 1 1 17 17 LEU H H 17 8.191 8.191 7.626 0.565 25817 91 1 1 . 1 1 18 18 ILE N N 18 117.937 117.937 119.612 -1.675 25817 92 1 1 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.402 0.161 25817 93 1 1 . 1 1 18 18 ILE C C 18 177.812 177.812 177.749 0.063 25817 94 1 1 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.409 -0.739 25817 95 1 1 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.567 -1.055 25817 96 1 1 . 1 1 18 18 ILE H H 18 8.455 8.455 7.500 0.955 25817 97 1 1 . 1 1 19 19 PHE N N 19 119.250 119.250 119.545 -0.295 25817 98 1 1 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.909 0.188 25817 99 1 1 . 1 1 19 19 PHE C C 19 177.133 177.133 177.761 -0.628 25817 100 1 1 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.196 -0.294 25817 101 1 1 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.152 0.128 25817 102 1 1 . 1 1 19 19 PHE H H 19 8.629 8.629 7.939 0.690 25817 103 1 1 . 1 1 20 20 SER N N 20 114.851 114.851 115.162 -0.311 25817 104 1 1 . 1 1 20 20 SER HA H 20 4.049 4.049 4.138 -0.089 25817 105 1 1 . 1 1 20 20 SER C C 20 177.062 177.062 176.662 0.400 25817 106 1 1 . 1 1 20 20 SER CA C 20 63.443 63.443 62.373 1.070 25817 107 1 1 . 1 1 20 20 SER H H 20 8.588 8.588 8.408 0.180 25817 108 1 1 . 1 1 21 21 LEU N N 21 124.926 124.926 123.390 1.536 25817 109 1 1 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.080 -0.058 25817 110 1 1 . 1 1 21 21 LEU C C 21 178.183 178.183 178.457 -0.274 25817 111 1 1 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.051 0.280 25817 112 1 1 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.972 -0.201 25817 113 1 1 . 1 1 21 21 LEU H H 21 8.194 8.194 8.192 0.002 25817 114 1 1 . 1 1 22 22 ILE N N 22 119.416 119.416 118.651 0.765 25817 115 1 1 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.554 0.058 25817 116 1 1 . 1 1 22 22 ILE C C 22 178.539 178.539 178.125 0.414 25817 117 1 1 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.390 0.571 25817 118 1 1 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.304 0.559 25817 119 1 1 . 1 1 22 22 ILE H H 22 8.173 8.173 8.112 0.061 25817 120 1 1 . 1 1 23 23 VAL N N 23 119.631 119.631 120.885 -1.254 25817 121 1 1 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.642 -0.291 25817 122 1 1 . 1 1 23 23 VAL C C 23 177.480 177.480 178.062 -0.582 25817 123 1 1 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.581 1.223 25817 124 1 1 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.236 0.135 25817 125 1 1 . 1 1 23 23 VAL H H 23 8.517 8.517 7.910 0.607 25817 126 1 1 . 1 1 24 24 THR N N 24 115.196 115.196 117.085 -1.889 25817 127 1 1 . 1 1 24 24 THR HA H 24 4.212 4.212 4.030 0.182 25817 128 1 1 . 1 1 24 24 THR C C 24 176.559 176.559 176.438 0.121 25817 129 1 1 . 1 1 24 24 THR CA C 24 68.061 68.061 66.877 1.184 25817 130 1 1 . 1 1 24 24 THR H H 24 8.009 8.009 8.115 -0.106 25817 131 1 1 . 1 1 25 25 TYR N N 25 121.989 121.989 123.755 -1.766 25817 132 1 1 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.141 -0.106 25817 133 1 1 . 1 1 25 25 TYR C C 25 177.742 177.742 177.260 0.482 25817 134 1 1 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.264 0.224 25817 135 1 1 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.324 0.442 25817 136 1 1 . 1 1 25 25 TYR H H 25 8.447 8.447 8.661 -0.214 25817 137 1 1 . 1 1 26 26 CYS N N 26 117.031 117.031 118.136 -1.105 25817 138 1 1 . 1 1 26 26 CYS HA H 26 3.929 3.929 4.119 -0.190 25817 139 1 1 . 1 1 26 26 CYS C C 26 176.855 176.855 177.302 -0.447 25817 140 1 1 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.125 1.252 25817 141 1 1 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.502 0.789 25817 142 1 1 . 1 1 26 26 CYS H H 26 8.456 8.456 7.963 0.493 25817 143 1 1 . 1 1 27 27 ILE N N 27 118.019 118.019 121.169 -3.150 25817 144 1 1 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.538 0.187 25817 145 1 1 . 1 1 27 27 ILE C C 27 177.543 177.543 177.552 -0.009 25817 146 1 1 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.675 -1.020 25817 147 1 1 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.734 -0.043 25817 148 1 1 . 1 1 27 27 ILE H H 27 8.460 8.460 7.877 0.583 25817 149 1 1 . 1 1 28 28 ASN N N 28 117.725 117.725 118.702 -0.977 25817 150 1 1 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.334 0.132 25817 151 1 1 . 1 1 28 28 ASN C C 28 176.330 176.330 177.459 -1.129 25817 152 1 1 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.180 -0.126 25817 153 1 1 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.467 2.102 25817 154 1 1 . 1 1 28 28 ASN H H 28 7.933 7.933 8.241 -0.308 25817 155 1 1 . 1 1 29 29 ALA N N 29 120.930 120.930 123.473 -2.543 25817 156 1 1 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.838 0.287 25817 157 1 1 . 1 1 29 29 ALA C C 29 178.485 178.485 178.965 -0.480 25817 158 1 1 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.757 -1.111 25817 159 1 1 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.305 0.498 25817 160 1 1 . 1 1 29 29 ALA H H 29 8.116 8.116 7.754 0.362 25817 161 1 1 . 1 1 30 30 LYS N N 30 116.477 116.477 118.937 -2.460 25817 162 1 1 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.897 0.396 25817 163 1 1 . 1 1 30 30 LYS C C 30 176.352 176.352 178.791 -2.439 25817 164 1 1 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.346 -3.445 25817 165 1 1 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.230 -0.084 25817 166 1 1 . 1 1 30 30 LYS H H 30 7.710 7.710 7.684 0.026 25817 167 1 1 . 1 1 31 31 ALA N N 31 122.148 122.148 121.820 0.328 25817 168 1 1 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.101 0.132 25817 169 1 1 . 1 1 31 31 ALA C C 31 177.308 177.308 179.730 -2.422 25817 170 1 1 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.289 -1.947 25817 171 1 1 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.183 1.285 25817 172 1 1 . 1 1 31 31 ALA H H 31 7.881 7.881 8.078 -0.197 25817 173 1 1 . 1 1 32 32 ASP N N 32 117.233 117.233 118.859 -1.626 25817 174 1 1 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.403 0.125 25817 175 1 1 . 1 1 32 32 ASP C C 32 176.069 176.069 178.481 -2.412 25817 176 1 1 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.892 -3.119 25817 177 1 1 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.337 -0.117 25817 178 1 1 . 1 1 32 32 ASP H H 32 8.251 8.251 7.755 0.496 25817 179 1 1 . 1 1 33 33 VAL N N 33 116.751 116.751 119.939 -3.188 25817 180 1 1 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.837 0.265 25817 181 1 1 . 1 1 33 33 VAL C C 33 175.474 175.474 177.519 -2.045 25817 182 1 1 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.115 -2.498 25817 183 1 1 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.875 0.932 25817 184 1 1 . 1 1 33 33 VAL H H 33 7.647 7.647 7.607 0.040 25817 185 1 1 . 1 1 34 34 LEU N N 34 121.923 121.923 120.719 1.204 25817 186 1 1 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.809 0.455 25817 187 1 1 . 1 1 34 34 LEU C C 34 176.502 176.502 177.270 -0.768 25817 188 1 1 . 1 1 34 34 LEU CA C 34 55.303 55.303 58.092 -2.789 25817 189 1 1 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.225 0.440 25817 190 1 1 . 1 1 34 34 LEU H H 34 7.876 7.876 8.121 -0.245 25817 191 1 1 . 1 1 35 35 PHE N N 35 118.600 118.600 116.307 2.293 25817 192 1 1 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.621 -0.026 25817 193 1 1 . 1 1 35 35 PHE C C 35 175.009 175.009 175.357 -0.348 25817 194 1 1 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.782 1.176 25817 195 1 1 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.712 -0.422 25817 196 1 1 . 1 1 35 35 PHE H H 35 7.788 7.788 7.544 0.244 25817 197 1 1 . 1 1 36 36 ILE N N 36 119.235 119.235 121.878 -2.643 25817 198 1 1 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.762 0.344 25817 199 1 1 . 1 1 36 36 ILE C C 36 174.800 174.800 175.876 -1.076 25817 200 1 1 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.484 -0.668 25817 201 1 1 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.984 3.975 25817 202 1 1 . 1 1 36 36 ILE H H 36 7.489 7.489 8.021 -0.532 25817 203 1 1 . 1 1 37 37 ALA N N 37 126.894 126.894 130.459 -3.565 25817 204 1 1 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.792 -0.269 25817 205 1 1 . 1 1 37 37 ALA CA C 37 50.662 50.662 49.667 0.995 25817 206 1 1 . 1 1 37 37 ALA CB C 37 18.385 18.385 19.581 -1.196 25817 207 1 1 . 1 1 37 37 ALA H H 37 7.923 7.923 8.550 -0.627 25817 208 1 1 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.279 0.127 25817 209 1 1 . 1 1 38 38 PRO C C 38 176.806 176.806 175.652 1.154 25817 210 1 1 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.485 -0.503 25817 211 1 1 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.072 -0.223 25817 212 1 1 . 1 1 39 39 ARG N N 39 119.994 119.994 120.893 -0.899 25817 213 1 1 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.646 -0.346 25817 214 1 1 . 1 1 39 39 ARG C C 39 175.960 175.960 175.166 0.794 25817 215 1 1 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.965 0.843 25817 216 1 1 . 1 1 39 39 ARG CB C 39 31.008 31.008 32.479 -1.471 25817 217 1 1 . 1 1 39 39 ARG H H 39 8.088 8.088 8.272 -0.184 25817 218 1 1 . 1 1 40 40 GLU N N 40 122.023 122.023 123.338 -1.315 25817 219 1 1 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.854 -0.262 25817 220 1 1 . 1 1 40 40 GLU CA C 40 54.111 54.111 52.476 1.635 25817 221 1 1 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.709 -0.040 25817 222 1 1 . 1 1 40 40 GLU H H 40 8.179 8.179 8.588 -0.409 25817 223 1 1 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.469 -0.074 25817 224 1 1 . 1 1 41 41 PRO C C 41 177.650 177.650 177.888 -0.238 25817 225 1 1 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.324 0.397 25817 226 1 1 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.652 0.142 25817 227 1 1 . 1 1 42 42 GLY N N 42 108.968 108.968 112.856 -3.888 25817 228 1 1 . 1 1 42 42 GLY C C 42 173.943 173.943 174.633 -0.690 25817 229 1 1 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.590 -0.283 25817 230 1 1 . 1 1 42 42 GLY H H 42 8.387 8.387 8.963 -0.577 25817 231 1 1 . 1 1 43 43 ALA N N 43 123.557 123.557 118.620 4.937 25817 232 1 1 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.011 0.309 25817 233 1 1 . 1 1 43 43 ALA C C 43 177.613 177.613 177.391 0.222 25817 234 1 1 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.010 -0.474 25817 235 1 1 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.195 1.063 25817 236 1 1 . 1 1 43 43 ALA H H 43 7.963 7.963 7.539 0.424 25817 237 1 1 . 1 1 44 44 VAL N N 44 118.502 118.502 119.392 -0.890 25817 238 1 1 . 1 1 44 44 VAL HA H 44 4.105 4.105 4.062 0.043 25817 239 1 1 . 1 1 44 44 VAL C C 44 175.735 175.735 176.712 -0.977 25817 240 1 1 . 1 1 44 44 VAL CA C 44 62.019 62.019 62.954 -0.935 25817 241 1 1 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.951 0.950 25817 242 1 1 . 1 1 44 44 VAL H H 44 7.940 7.940 8.066 -0.126 25817 243 1 1 . 1 1 45 45 SER N N 45 119.252 119.252 123.637 -4.385 25817 244 1 1 . 1 1 45 45 SER HA H 45 4.438 4.438 4.562 -0.124 25817 245 1 1 . 1 1 45 45 SER C C 45 172.924 172.924 174.704 -1.780 25817 246 1 1 . 1 1 45 45 SER CA C 45 57.844 57.844 58.539 -0.695 25817 247 1 1 . 1 1 45 45 SER CB C 45 64.261 64.261 63.771 0.490 25817 248 1 1 . 1 1 45 45 SER H H 45 8.082 8.082 8.537 -0.455 25817 249 1 2 . 1 1 2 2 SER N N 2 114.638 114.638 115.699 -1.061 25817 250 1 2 . 1 1 2 2 SER HA H 2 4.435 4.435 4.223 0.212 25817 251 1 2 . 1 1 2 2 SER C C 2 174.655 174.655 174.975 -0.320 25817 252 1 2 . 1 1 2 2 SER CA C 2 58.287 58.287 58.632 -0.345 25817 253 1 2 . 1 1 2 2 SER CB C 2 64.193 64.193 62.987 1.206 25817 254 1 2 . 1 1 2 2 SER H H 2 8.068 8.068 8.412 -0.344 25817 255 1 2 . 1 1 3 3 LYS N N 3 122.754 122.754 121.476 1.278 25817 256 1 2 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.101 0.105 25817 257 1 2 . 1 1 3 3 LYS C C 3 177.164 177.164 178.504 -1.340 25817 258 1 2 . 1 1 3 3 LYS CA C 3 58.053 58.053 58.900 -0.847 25817 259 1 2 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.067 -0.039 25817 260 1 2 . 1 1 3 3 LYS H H 3 8.368 8.368 8.440 -0.072 25817 261 1 2 . 1 1 4 4 GLU N N 4 118.462 118.462 119.692 -1.230 25817 262 1 2 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.124 -0.086 25817 263 1 2 . 1 1 4 4 GLU C C 4 177.164 177.164 178.709 -1.545 25817 264 1 2 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.608 -0.323 25817 265 1 2 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.354 -0.589 25817 266 1 2 . 1 1 4 4 GLU H H 4 8.411 8.411 8.448 -0.037 25817 267 1 2 . 1 1 5 5 LEU N N 5 119.346 119.346 119.946 -0.600 25817 268 1 2 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.028 0.148 25817 269 1 2 . 1 1 5 5 LEU C C 5 179.105 179.105 179.313 -0.208 25817 270 1 2 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.862 -0.787 25817 271 1 2 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.407 0.439 25817 272 1 2 . 1 1 5 5 LEU H H 5 7.879 7.879 7.942 -0.063 25817 273 1 2 . 1 1 6 6 GLU N N 6 120.818 120.818 119.652 1.166 25817 274 1 2 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.024 -0.048 25817 275 1 2 . 1 1 6 6 GLU C C 6 177.071 177.071 179.529 -2.458 25817 276 1 2 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.662 -0.411 25817 277 1 2 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.443 -1.015 25817 278 1 2 . 1 1 6 6 GLU H H 6 8.349 8.349 7.954 0.395 25817 279 1 2 . 1 1 7 7 LEU N N 7 118.820 118.820 121.011 -2.191 25817 280 1 2 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.977 0.117 25817 281 1 2 . 1 1 7 7 LEU C C 7 179.724 179.724 179.283 0.441 25817 282 1 2 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.262 -0.234 25817 283 1 2 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.858 0.048 25817 284 1 2 . 1 1 7 7 LEU H H 7 8.219 8.219 8.174 0.045 25817 285 1 2 . 1 1 8 8 ILE N N 8 120.124 120.124 118.905 1.219 25817 286 1 2 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.654 0.067 25817 287 1 2 . 1 1 8 8 ILE C C 8 176.524 176.524 178.375 -1.851 25817 288 1 2 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.065 0.036 25817 289 1 2 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.776 1.278 25817 290 1 2 . 1 1 8 8 ILE H H 8 8.336 8.336 8.305 0.031 25817 291 1 2 . 1 1 9 9 THR N N 9 116.052 116.052 117.463 -1.411 25817 292 1 2 . 1 1 9 9 THR HA H 9 4.204 4.204 3.948 0.256 25817 293 1 2 . 1 1 9 9 THR C C 9 176.094 176.094 176.897 -0.803 25817 294 1 2 . 1 1 9 9 THR CA C 9 67.399 67.399 67.390 0.009 25817 295 1 2 . 1 1 9 9 THR H H 9 7.900 7.900 8.154 -0.254 25817 296 1 2 . 1 1 10 10 LEU N N 10 119.799 119.799 122.001 -2.202 25817 297 1 2 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.034 -0.059 25817 298 1 2 . 1 1 10 10 LEU C C 10 177.752 177.752 179.140 -1.388 25817 299 1 2 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.606 -0.329 25817 300 1 2 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.528 0.852 25817 301 1 2 . 1 1 10 10 LEU H H 10 8.045 8.045 8.455 -0.410 25817 302 1 2 . 1 1 11 11 THR N N 11 114.472 114.472 116.068 -1.596 25817 303 1 2 . 1 1 11 11 THR HA H 11 4.200 4.200 4.060 0.140 25817 304 1 2 . 1 1 11 11 THR C C 11 176.296 176.296 177.114 -0.818 25817 305 1 2 . 1 1 11 11 THR CA C 11 68.061 68.061 67.149 0.912 25817 306 1 2 . 1 1 11 11 THR H H 11 7.904 7.904 7.803 0.101 25817 307 1 2 . 1 1 12 12 VAL N N 12 120.338 120.338 121.385 -1.047 25817 308 1 2 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.688 -0.126 25817 309 1 2 . 1 1 12 12 VAL C C 12 177.759 177.759 178.136 -0.377 25817 310 1 2 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.302 -0.378 25817 311 1 2 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.121 0.445 25817 312 1 2 . 1 1 12 12 VAL H H 12 8.297 8.297 8.407 -0.110 25817 313 1 2 . 1 1 13 13 GLY N N 13 106.329 106.329 107.869 -1.540 25817 314 1 2 . 1 1 13 13 GLY C C 13 174.383 174.383 175.999 -1.616 25817 315 1 2 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.346 0.407 25817 316 1 2 . 1 1 13 13 GLY H H 13 8.519 8.519 8.324 0.195 25817 317 1 2 . 1 1 14 14 PHE N N 14 120.488 120.488 123.138 -2.650 25817 318 1 2 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.264 -0.064 25817 319 1 2 . 1 1 14 14 PHE C C 14 177.591 177.591 177.313 0.278 25817 320 1 2 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.172 1.450 25817 321 1 2 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.060 -0.144 25817 322 1 2 . 1 1 14 14 PHE H H 14 8.641 8.641 8.014 0.627 25817 323 1 2 . 1 1 15 15 GLY N N 15 106.569 106.569 108.069 -1.500 25817 324 1 2 . 1 1 15 15 GLY C C 15 174.533 174.533 175.909 -1.376 25817 325 1 2 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.253 0.379 25817 326 1 2 . 1 1 15 15 GLY H H 15 8.573 8.573 8.343 0.230 25817 327 1 2 . 1 1 16 16 ILE N N 16 120.720 120.720 122.661 -1.941 25817 328 1 2 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.771 -0.146 25817 329 1 2 . 1 1 16 16 ILE C C 16 178.658 178.658 177.527 1.131 25817 330 1 2 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.726 0.704 25817 331 1 2 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.046 -0.858 25817 332 1 2 . 1 1 16 16 ILE H H 16 8.573 8.573 8.030 0.543 25817 333 1 2 . 1 1 17 17 LEU N N 17 123.135 123.135 121.256 1.879 25817 334 1 2 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.963 -0.010 25817 335 1 2 . 1 1 17 17 LEU C C 17 178.226 178.226 178.551 -0.325 25817 336 1 2 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.603 0.314 25817 337 1 2 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.869 -0.323 25817 338 1 2 . 1 1 17 17 LEU H H 17 8.191 8.191 7.782 0.409 25817 339 1 2 . 1 1 18 18 ILE N N 18 117.937 117.937 119.683 -1.746 25817 340 1 2 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.385 0.178 25817 341 1 2 . 1 1 18 18 ILE C C 18 177.812 177.812 177.631 0.181 25817 342 1 2 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.627 -0.957 25817 343 1 2 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.522 -1.010 25817 344 1 2 . 1 1 18 18 ILE H H 18 8.455 8.455 7.379 1.076 25817 345 1 2 . 1 1 19 19 PHE N N 19 119.250 119.250 119.836 -0.586 25817 346 1 2 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.959 0.138 25817 347 1 2 . 1 1 19 19 PHE C C 19 177.133 177.133 177.781 -0.648 25817 348 1 2 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.415 -0.513 25817 349 1 2 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.906 0.374 25817 350 1 2 . 1 1 19 19 PHE H H 19 8.629 8.629 7.791 0.838 25817 351 1 2 . 1 1 20 20 SER N N 20 114.851 114.851 115.238 -0.387 25817 352 1 2 . 1 1 20 20 SER HA H 20 4.049 4.049 4.192 -0.143 25817 353 1 2 . 1 1 20 20 SER C C 20 177.062 177.062 176.724 0.338 25817 354 1 2 . 1 1 20 20 SER CA C 20 63.443 63.443 61.913 1.530 25817 355 1 2 . 1 1 20 20 SER H H 20 8.588 8.588 8.364 0.224 25817 356 1 2 . 1 1 21 21 LEU N N 21 124.926 124.926 123.759 1.167 25817 357 1 2 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.071 -0.049 25817 358 1 2 . 1 1 21 21 LEU C C 21 178.183 178.183 178.423 -0.240 25817 359 1 2 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.158 0.173 25817 360 1 2 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.894 -0.123 25817 361 1 2 . 1 1 21 21 LEU H H 21 8.194 8.194 8.015 0.179 25817 362 1 2 . 1 1 22 22 ILE N N 22 119.416 119.416 118.439 0.977 25817 363 1 2 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.603 0.009 25817 364 1 2 . 1 1 22 22 ILE C C 22 178.539 178.539 178.215 0.324 25817 365 1 2 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.591 0.370 25817 366 1 2 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.573 0.291 25817 367 1 2 . 1 1 22 22 ILE H H 22 8.173 8.173 8.010 0.163 25817 368 1 2 . 1 1 23 23 VAL N N 23 119.631 119.631 121.231 -1.600 25817 369 1 2 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.669 -0.318 25817 370 1 2 . 1 1 23 23 VAL C C 23 177.480 177.480 177.893 -0.413 25817 371 1 2 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.280 0.524 25817 372 1 2 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.825 -0.454 25817 373 1 2 . 1 1 23 23 VAL H H 23 8.517 8.517 7.899 0.618 25817 374 1 2 . 1 1 24 24 THR N N 24 115.196 115.196 116.411 -1.215 25817 375 1 2 . 1 1 24 24 THR HA H 24 4.212 4.212 4.036 0.176 25817 376 1 2 . 1 1 24 24 THR C C 24 176.559 176.559 176.041 0.518 25817 377 1 2 . 1 1 24 24 THR CA C 24 68.061 68.061 67.088 0.973 25817 378 1 2 . 1 1 24 24 THR H H 24 8.009 8.009 8.601 -0.592 25817 379 1 2 . 1 1 25 25 TYR N N 25 121.989 121.989 123.575 -1.586 25817 380 1 2 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.083 -0.048 25817 381 1 2 . 1 1 25 25 TYR C C 25 177.742 177.742 176.957 0.785 25817 382 1 2 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.858 0.630 25817 383 1 2 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.385 0.381 25817 384 1 2 . 1 1 25 25 TYR H H 25 8.447 8.447 8.247 0.200 25817 385 1 2 . 1 1 26 26 CYS N N 26 117.031 117.031 117.686 -0.655 25817 386 1 2 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.884 0.045 25817 387 1 2 . 1 1 26 26 CYS C C 26 176.855 176.855 177.357 -0.502 25817 388 1 2 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.732 -0.355 25817 389 1 2 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.089 0.202 25817 390 1 2 . 1 1 26 26 CYS H H 26 8.456 8.456 7.884 0.572 25817 391 1 2 . 1 1 27 27 ILE N N 27 118.019 118.019 120.832 -2.813 25817 392 1 2 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.622 0.103 25817 393 1 2 . 1 1 27 27 ILE C C 27 177.543 177.543 177.825 -0.282 25817 394 1 2 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.100 -0.445 25817 395 1 2 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.143 0.548 25817 396 1 2 . 1 1 27 27 ILE H H 27 8.460 8.460 7.832 0.628 25817 397 1 2 . 1 1 28 28 ASN N N 28 117.725 117.725 118.754 -1.029 25817 398 1 2 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.296 0.170 25817 399 1 2 . 1 1 28 28 ASN C C 28 176.330 176.330 177.585 -1.255 25817 400 1 2 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.638 -0.584 25817 401 1 2 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.761 1.808 25817 402 1 2 . 1 1 28 28 ASN H H 28 7.933 7.933 8.183 -0.250 25817 403 1 2 . 1 1 29 29 ALA N N 29 120.930 120.930 123.103 -2.173 25817 404 1 2 . 1 1 29 29 ALA HA H 29 4.125 4.125 4.050 0.075 25817 405 1 2 . 1 1 29 29 ALA C C 29 178.485 178.485 179.423 -0.938 25817 406 1 2 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.803 -1.157 25817 407 1 2 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.245 0.558 25817 408 1 2 . 1 1 29 29 ALA H H 29 8.116 8.116 7.966 0.150 25817 409 1 2 . 1 1 30 30 LYS N N 30 116.477 116.477 118.740 -2.263 25817 410 1 2 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.977 0.316 25817 411 1 2 . 1 1 30 30 LYS C C 30 176.352 176.352 178.484 -2.132 25817 412 1 2 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.772 -2.871 25817 413 1 2 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.395 -0.249 25817 414 1 2 . 1 1 30 30 LYS H H 30 7.710 7.710 7.667 0.043 25817 415 1 2 . 1 1 31 31 ALA N N 31 122.148 122.148 122.171 -0.023 25817 416 1 2 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.368 -0.135 25817 417 1 2 . 1 1 31 31 ALA C C 31 177.308 177.308 179.561 -2.253 25817 418 1 2 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.441 -1.099 25817 419 1 2 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.024 0.444 25817 420 1 2 . 1 1 31 31 ALA H H 31 7.881 7.881 7.771 0.110 25817 421 1 2 . 1 1 32 32 ASP N N 32 117.233 117.233 120.697 -3.464 25817 422 1 2 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.207 0.321 25817 423 1 2 . 1 1 32 32 ASP C C 32 176.069 176.069 178.776 -2.707 25817 424 1 2 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.257 -2.484 25817 425 1 2 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.153 0.067 25817 426 1 2 . 1 1 32 32 ASP H H 32 8.251 8.251 8.464 -0.213 25817 427 1 2 . 1 1 33 33 VAL N N 33 116.751 116.751 119.188 -2.437 25817 428 1 2 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.867 0.235 25817 429 1 2 . 1 1 33 33 VAL C C 33 175.474 175.474 176.939 -1.465 25817 430 1 2 . 1 1 33 33 VAL CA C 33 62.618 62.618 64.929 -2.311 25817 431 1 2 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.410 1.397 25817 432 1 2 . 1 1 33 33 VAL H H 33 7.647 7.647 7.742 -0.095 25817 433 1 2 . 1 1 34 34 LEU N N 34 121.923 121.923 118.928 2.995 25817 434 1 2 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.422 -0.158 25817 435 1 2 . 1 1 34 34 LEU C C 34 176.502 176.502 176.444 0.058 25817 436 1 2 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.203 0.101 25817 437 1 2 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.844 0.821 25817 438 1 2 . 1 1 34 34 LEU H H 34 7.876 7.876 7.806 0.070 25817 439 1 2 . 1 1 35 35 PHE N N 35 118.600 118.600 121.039 -2.439 25817 440 1 2 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.634 -0.039 25817 441 1 2 . 1 1 35 35 PHE C C 35 175.009 175.009 174.972 0.037 25817 442 1 2 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.939 1.019 25817 443 1 2 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.370 0.919 25817 444 1 2 . 1 1 35 35 PHE H H 35 7.788 7.788 8.178 -0.390 25817 445 1 2 . 1 1 36 36 ILE N N 36 119.235 119.235 119.207 0.028 25817 446 1 2 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.648 0.458 25817 447 1 2 . 1 1 36 36 ILE C C 36 174.800 174.800 175.446 -0.646 25817 448 1 2 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.787 -0.971 25817 449 1 2 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.897 3.062 25817 450 1 2 . 1 1 36 36 ILE H H 36 7.489 7.489 8.498 -1.009 25817 451 1 2 . 1 1 37 37 ALA N N 37 126.894 126.894 122.129 4.765 25817 452 1 2 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.237 0.286 25817 453 1 2 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.747 -1.085 25817 454 1 2 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.706 -0.321 25817 455 1 2 . 1 1 37 37 ALA H H 37 7.923 7.923 7.809 0.114 25817 456 1 2 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.564 -0.158 25817 457 1 2 . 1 1 38 38 PRO C C 38 176.806 176.806 176.071 0.735 25817 458 1 2 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.631 0.351 25817 459 1 2 . 1 1 38 38 PRO CB C 38 31.849 31.849 33.201 -1.352 25817 460 1 2 . 1 1 39 39 ARG N N 39 119.994 119.994 122.462 -2.468 25817 461 1 2 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.476 -0.176 25817 462 1 2 . 1 1 39 39 ARG C C 39 175.960 175.960 175.988 -0.028 25817 463 1 2 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.239 -0.431 25817 464 1 2 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.343 -0.335 25817 465 1 2 . 1 1 39 39 ARG H H 39 8.088 8.088 8.240 -0.152 25817 466 1 2 . 1 1 40 40 GLU N N 40 122.023 122.023 120.663 1.360 25817 467 1 2 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.783 -0.191 25817 468 1 2 . 1 1 40 40 GLU CA C 40 54.111 54.111 52.905 1.206 25817 469 1 2 . 1 1 40 40 GLU CB C 40 29.669 29.669 28.828 0.841 25817 470 1 2 . 1 1 40 40 GLU H H 40 8.179 8.179 8.371 -0.192 25817 471 1 2 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.132 0.263 25817 472 1 2 . 1 1 41 41 PRO C C 41 177.650 177.650 177.207 0.443 25817 473 1 2 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.365 -0.644 25817 474 1 2 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.808 -0.014 25817 475 1 2 . 1 1 42 42 GLY N N 42 108.968 108.968 111.655 -2.687 25817 476 1 2 . 1 1 42 42 GLY C C 42 173.943 173.943 174.683 -0.740 25817 477 1 2 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.710 0.597 25817 478 1 2 . 1 1 42 42 GLY H H 42 8.387 8.387 8.505 -0.118 25817 479 1 2 . 1 1 43 43 ALA N N 43 123.557 123.557 123.909 -0.352 25817 480 1 2 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.339 -0.019 25817 481 1 2 . 1 1 43 43 ALA C C 43 177.613 177.613 177.086 0.527 25817 482 1 2 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.227 0.309 25817 483 1 2 . 1 1 43 43 ALA CB C 43 19.258 19.258 19.644 -0.386 25817 484 1 2 . 1 1 43 43 ALA H H 43 7.963 7.963 7.634 0.329 25817 485 1 2 . 1 1 44 44 VAL N N 44 118.502 118.502 117.475 1.027 25817 486 1 2 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.717 0.388 25817 487 1 2 . 1 1 44 44 VAL C C 44 175.735 175.735 175.590 0.145 25817 488 1 2 . 1 1 44 44 VAL CA C 44 62.019 62.019 62.759 -0.740 25817 489 1 2 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.101 0.800 25817 490 1 2 . 1 1 44 44 VAL H H 44 7.940 7.940 7.674 0.266 25817 491 1 2 . 1 1 45 45 SER N N 45 119.252 119.252 115.785 3.467 25817 492 1 2 . 1 1 45 45 SER HA H 45 4.438 4.438 4.309 0.129 25817 493 1 2 . 1 1 45 45 SER C C 45 172.924 172.924 173.297 -0.373 25817 494 1 2 . 1 1 45 45 SER CA C 45 57.844 57.844 58.778 -0.933 25817 495 1 2 . 1 1 45 45 SER CB C 45 64.261 64.261 63.512 0.749 25817 496 1 2 . 1 1 45 45 SER H H 45 8.082 8.082 8.197 -0.116 25817 497 1 3 . 1 1 2 2 SER N N 2 114.638 114.638 114.418 0.220 25817 498 1 3 . 1 1 2 2 SER HA H 2 4.435 4.435 4.624 -0.189 25817 499 1 3 . 1 1 2 2 SER C C 2 174.655 174.655 174.954 -0.299 25817 500 1 3 . 1 1 2 2 SER CA C 2 58.287 58.287 57.391 0.896 25817 501 1 3 . 1 1 2 2 SER CB C 2 64.193 64.193 65.368 -1.175 25817 502 1 3 . 1 1 2 2 SER H H 2 8.068 8.068 7.809 0.259 25817 503 1 3 . 1 1 3 3 LYS N N 3 122.754 122.754 121.971 0.783 25817 504 1 3 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.919 0.287 25817 505 1 3 . 1 1 3 3 LYS C C 3 177.164 177.164 178.417 -1.253 25817 506 1 3 . 1 1 3 3 LYS CA C 3 58.053 58.053 60.025 -1.972 25817 507 1 3 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.420 -0.392 25817 508 1 3 . 1 1 3 3 LYS H H 3 8.368 8.368 8.777 -0.409 25817 509 1 3 . 1 1 4 4 GLU N N 4 118.462 118.462 119.730 -1.268 25817 510 1 3 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.065 -0.027 25817 511 1 3 . 1 1 4 4 GLU C C 4 177.164 177.164 179.025 -1.861 25817 512 1 3 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.304 -0.019 25817 513 1 3 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.552 -0.787 25817 514 1 3 . 1 1 4 4 GLU H H 4 8.411 8.411 7.743 0.668 25817 515 1 3 . 1 1 5 5 LEU N N 5 119.346 119.346 119.853 -0.507 25817 516 1 3 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.921 0.255 25817 517 1 3 . 1 1 5 5 LEU C C 5 179.105 179.105 179.430 -0.325 25817 518 1 3 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.036 -0.961 25817 519 1 3 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.648 0.198 25817 520 1 3 . 1 1 5 5 LEU H H 5 7.879 7.879 7.878 0.001 25817 521 1 3 . 1 1 6 6 GLU N N 6 120.818 120.818 119.586 1.232 25817 522 1 3 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.000 -0.024 25817 523 1 3 . 1 1 6 6 GLU C C 6 177.071 177.071 179.247 -2.176 25817 524 1 3 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.814 -0.563 25817 525 1 3 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.489 -1.061 25817 526 1 3 . 1 1 6 6 GLU H H 6 8.349 8.349 8.293 0.056 25817 527 1 3 . 1 1 7 7 LEU N N 7 118.820 118.820 120.428 -1.608 25817 528 1 3 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.992 0.102 25817 529 1 3 . 1 1 7 7 LEU C C 7 179.724 179.724 179.155 0.569 25817 530 1 3 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.127 -0.099 25817 531 1 3 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.806 0.100 25817 532 1 3 . 1 1 7 7 LEU H H 7 8.219 8.219 7.807 0.412 25817 533 1 3 . 1 1 8 8 ILE N N 8 120.124 120.124 119.269 0.855 25817 534 1 3 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.607 0.114 25817 535 1 3 . 1 1 8 8 ILE C C 8 176.524 176.524 178.165 -1.641 25817 536 1 3 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.512 -0.411 25817 537 1 3 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.526 0.528 25817 538 1 3 . 1 1 8 8 ILE H H 8 8.336 8.336 8.155 0.181 25817 539 1 3 . 1 1 9 9 THR N N 9 116.052 116.052 116.784 -0.732 25817 540 1 3 . 1 1 9 9 THR HA H 9 4.204 4.204 4.019 0.185 25817 541 1 3 . 1 1 9 9 THR C C 9 176.094 176.094 176.553 -0.459 25817 542 1 3 . 1 1 9 9 THR CA C 9 67.399 67.399 66.949 0.450 25817 543 1 3 . 1 1 9 9 THR H H 9 7.900 7.900 8.035 -0.135 25817 544 1 3 . 1 1 10 10 LEU N N 10 119.799 119.799 122.112 -2.313 25817 545 1 3 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.080 -0.105 25817 546 1 3 . 1 1 10 10 LEU C C 10 177.752 177.752 178.947 -1.195 25817 547 1 3 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.465 -0.188 25817 548 1 3 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.084 1.296 25817 549 1 3 . 1 1 10 10 LEU H H 10 8.045 8.045 8.211 -0.166 25817 550 1 3 . 1 1 11 11 THR N N 11 114.472 114.472 116.089 -1.617 25817 551 1 3 . 1 1 11 11 THR HA H 11 4.200 4.200 4.039 0.161 25817 552 1 3 . 1 1 11 11 THR C C 11 176.296 176.296 177.167 -0.871 25817 553 1 3 . 1 1 11 11 THR CA C 11 68.061 68.061 67.131 0.930 25817 554 1 3 . 1 1 11 11 THR H H 11 7.904 7.904 8.196 -0.292 25817 555 1 3 . 1 1 12 12 VAL N N 12 120.338 120.338 120.962 -0.624 25817 556 1 3 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.638 -0.076 25817 557 1 3 . 1 1 12 12 VAL C C 12 177.759 177.759 177.872 -0.113 25817 558 1 3 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.859 0.065 25817 559 1 3 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.538 0.028 25817 560 1 3 . 1 1 12 12 VAL H H 12 8.297 8.297 8.231 0.066 25817 561 1 3 . 1 1 13 13 GLY N N 13 106.329 106.329 107.729 -1.400 25817 562 1 3 . 1 1 13 13 GLY C C 13 174.383 174.383 175.914 -1.531 25817 563 1 3 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.289 0.464 25817 564 1 3 . 1 1 13 13 GLY H H 13 8.519 8.519 8.283 0.236 25817 565 1 3 . 1 1 14 14 PHE N N 14 120.488 120.488 123.175 -2.687 25817 566 1 3 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.318 -0.118 25817 567 1 3 . 1 1 14 14 PHE C C 14 177.591 177.591 177.245 0.346 25817 568 1 3 . 1 1 14 14 PHE CA C 14 61.622 61.622 59.950 1.672 25817 569 1 3 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.083 -0.167 25817 570 1 3 . 1 1 14 14 PHE H H 14 8.641 8.641 8.510 0.131 25817 571 1 3 . 1 1 15 15 GLY N N 15 106.569 106.569 107.808 -1.239 25817 572 1 3 . 1 1 15 15 GLY C C 15 174.533 174.533 175.960 -1.427 25817 573 1 3 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.204 0.428 25817 574 1 3 . 1 1 15 15 GLY H H 15 8.573 8.573 8.353 0.220 25817 575 1 3 . 1 1 16 16 ILE N N 16 120.720 120.720 122.671 -1.951 25817 576 1 3 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.777 -0.152 25817 577 1 3 . 1 1 16 16 ILE C C 16 178.658 178.658 177.382 1.276 25817 578 1 3 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.667 0.763 25817 579 1 3 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.114 -0.925 25817 580 1 3 . 1 1 16 16 ILE H H 16 8.573 8.573 7.750 0.823 25817 581 1 3 . 1 1 17 17 LEU N N 17 123.135 123.135 121.157 1.978 25817 582 1 3 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.956 -0.003 25817 583 1 3 . 1 1 17 17 LEU C C 17 178.226 178.226 178.694 -0.468 25817 584 1 3 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.593 0.324 25817 585 1 3 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.882 -0.336 25817 586 1 3 . 1 1 17 17 LEU H H 17 8.191 8.191 7.719 0.472 25817 587 1 3 . 1 1 18 18 ILE N N 18 117.937 117.937 119.490 -1.553 25817 588 1 3 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.457 0.106 25817 589 1 3 . 1 1 18 18 ILE C C 18 177.812 177.812 177.533 0.279 25817 590 1 3 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.548 -0.878 25817 591 1 3 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.565 -1.053 25817 592 1 3 . 1 1 18 18 ILE H H 18 8.455 8.455 7.413 1.042 25817 593 1 3 . 1 1 19 19 PHE N N 19 119.250 119.250 119.743 -0.493 25817 594 1 3 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.946 0.150 25817 595 1 3 . 1 1 19 19 PHE C C 19 177.133 177.133 177.896 -0.763 25817 596 1 3 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.374 -0.472 25817 597 1 3 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.953 0.327 25817 598 1 3 . 1 1 19 19 PHE H H 19 8.629 8.629 7.762 0.867 25817 599 1 3 . 1 1 20 20 SER N N 20 114.851 114.851 114.711 0.140 25817 600 1 3 . 1 1 20 20 SER HA H 20 4.049 4.049 4.241 -0.192 25817 601 1 3 . 1 1 20 20 SER C C 20 177.062 177.062 176.466 0.596 25817 602 1 3 . 1 1 20 20 SER CA C 20 63.443 63.443 61.678 1.764 25817 603 1 3 . 1 1 20 20 SER H H 20 8.588 8.588 8.404 0.184 25817 604 1 3 . 1 1 21 21 LEU N N 21 124.926 124.926 123.366 1.560 25817 605 1 3 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.067 -0.045 25817 606 1 3 . 1 1 21 21 LEU C C 21 178.183 178.183 178.337 -0.154 25817 607 1 3 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.061 0.270 25817 608 1 3 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.846 -0.075 25817 609 1 3 . 1 1 21 21 LEU H H 21 8.194 8.194 7.618 0.576 25817 610 1 3 . 1 1 22 22 ILE N N 22 119.416 119.416 118.780 0.636 25817 611 1 3 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.596 0.016 25817 612 1 3 . 1 1 22 22 ILE C C 22 178.539 178.539 178.193 0.346 25817 613 1 3 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.678 0.283 25817 614 1 3 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.401 0.463 25817 615 1 3 . 1 1 22 22 ILE H H 22 8.173 8.173 7.979 0.194 25817 616 1 3 . 1 1 23 23 VAL N N 23 119.631 119.631 120.639 -1.008 25817 617 1 3 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.687 -0.336 25817 618 1 3 . 1 1 23 23 VAL C C 23 177.480 177.480 177.900 -0.420 25817 619 1 3 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.906 0.898 25817 620 1 3 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.372 -0.001 25817 621 1 3 . 1 1 23 23 VAL H H 23 8.517 8.517 7.716 0.801 25817 622 1 3 . 1 1 24 24 THR N N 24 115.196 115.196 117.331 -2.135 25817 623 1 3 . 1 1 24 24 THR HA H 24 4.212 4.212 3.976 0.236 25817 624 1 3 . 1 1 24 24 THR C C 24 176.559 176.559 176.444 0.115 25817 625 1 3 . 1 1 24 24 THR CA C 24 68.061 68.061 67.291 0.770 25817 626 1 3 . 1 1 24 24 THR H H 24 8.009 8.009 8.176 -0.167 25817 627 1 3 . 1 1 25 25 TYR N N 25 121.989 121.989 123.386 -1.397 25817 628 1 3 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.194 -0.159 25817 629 1 3 . 1 1 25 25 TYR C C 25 177.742 177.742 176.903 0.839 25817 630 1 3 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.041 0.447 25817 631 1 3 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.429 0.337 25817 632 1 3 . 1 1 25 25 TYR H H 25 8.447 8.447 8.330 0.117 25817 633 1 3 . 1 1 26 26 CYS N N 26 117.031 117.031 118.518 -1.487 25817 634 1 3 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.883 0.046 25817 635 1 3 . 1 1 26 26 CYS C C 26 176.855 176.855 176.975 -0.120 25817 636 1 3 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.770 -0.393 25817 637 1 3 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.637 -0.346 25817 638 1 3 . 1 1 26 26 CYS H H 26 8.456 8.456 8.129 0.327 25817 639 1 3 . 1 1 27 27 ILE N N 27 118.019 118.019 120.341 -2.322 25817 640 1 3 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.483 0.242 25817 641 1 3 . 1 1 27 27 ILE C C 27 177.543 177.543 177.617 -0.074 25817 642 1 3 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.759 -1.104 25817 643 1 3 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.711 -0.020 25817 644 1 3 . 1 1 27 27 ILE H H 27 8.460 8.460 7.791 0.669 25817 645 1 3 . 1 1 28 28 ASN N N 28 117.725 117.725 118.322 -0.597 25817 646 1 3 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.350 0.116 25817 647 1 3 . 1 1 28 28 ASN C C 28 176.330 176.330 177.275 -0.945 25817 648 1 3 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.977 -0.923 25817 649 1 3 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.059 1.510 25817 650 1 3 . 1 1 28 28 ASN H H 28 7.933 7.933 7.738 0.195 25817 651 1 3 . 1 1 29 29 ALA N N 29 120.930 120.930 122.932 -2.002 25817 652 1 3 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.748 0.377 25817 653 1 3 . 1 1 29 29 ALA C C 29 178.485 178.485 179.335 -0.850 25817 654 1 3 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.102 -1.456 25817 655 1 3 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.101 0.702 25817 656 1 3 . 1 1 29 29 ALA H H 29 8.116 8.116 8.016 0.100 25817 657 1 3 . 1 1 30 30 LYS N N 30 116.477 116.477 118.368 -1.891 25817 658 1 3 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.948 0.345 25817 659 1 3 . 1 1 30 30 LYS C C 30 176.352 176.352 178.719 -2.367 25817 660 1 3 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.459 -3.558 25817 661 1 3 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.412 -0.266 25817 662 1 3 . 1 1 30 30 LYS H H 30 7.710 7.710 7.861 -0.151 25817 663 1 3 . 1 1 31 31 ALA N N 31 122.148 122.148 122.274 -0.126 25817 664 1 3 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.085 0.147 25817 665 1 3 . 1 1 31 31 ALA C C 31 177.308 177.308 179.832 -2.524 25817 666 1 3 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.185 -1.843 25817 667 1 3 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.165 1.303 25817 668 1 3 . 1 1 31 31 ALA H H 31 7.881 7.881 7.825 0.056 25817 669 1 3 . 1 1 32 32 ASP N N 32 117.233 117.233 119.144 -1.911 25817 670 1 3 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.361 0.167 25817 671 1 3 . 1 1 32 32 ASP C C 32 176.069 176.069 178.601 -2.532 25817 672 1 3 . 1 1 32 32 ASP CA C 32 54.773 54.773 58.446 -3.673 25817 673 1 3 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.559 -0.339 25817 674 1 3 . 1 1 32 32 ASP H H 32 8.251 8.251 8.318 -0.067 25817 675 1 3 . 1 1 33 33 VAL N N 33 116.751 116.751 119.951 -3.200 25817 676 1 3 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.707 0.395 25817 677 1 3 . 1 1 33 33 VAL C C 33 175.474 175.474 178.113 -2.639 25817 678 1 3 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.349 -3.731 25817 679 1 3 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.715 1.092 25817 680 1 3 . 1 1 33 33 VAL H H 33 7.647 7.647 7.599 0.048 25817 681 1 3 . 1 1 34 34 LEU N N 34 121.923 121.923 120.201 1.722 25817 682 1 3 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.740 0.524 25817 683 1 3 . 1 1 34 34 LEU C C 34 176.502 176.502 177.324 -0.822 25817 684 1 3 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.822 -2.519 25817 685 1 3 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.101 0.564 25817 686 1 3 . 1 1 34 34 LEU H H 34 7.876 7.876 8.072 -0.197 25817 687 1 3 . 1 1 35 35 PHE N N 35 118.600 118.600 115.844 2.756 25817 688 1 3 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.616 -0.021 25817 689 1 3 . 1 1 35 35 PHE C C 35 175.009 175.009 174.634 0.375 25817 690 1 3 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.445 1.513 25817 691 1 3 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.209 0.080 25817 692 1 3 . 1 1 35 35 PHE H H 35 7.788 7.788 7.535 0.253 25817 693 1 3 . 1 1 36 36 ILE N N 36 119.235 119.235 122.025 -2.790 25817 694 1 3 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.719 0.387 25817 695 1 3 . 1 1 36 36 ILE C C 36 174.800 174.800 175.934 -1.134 25817 696 1 3 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.181 -0.365 25817 697 1 3 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.740 4.219 25817 698 1 3 . 1 1 36 36 ILE H H 36 7.489 7.489 7.912 -0.422 25817 699 1 3 . 1 1 37 37 ALA N N 37 126.894 126.894 127.985 -1.091 25817 700 1 3 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.292 0.231 25817 701 1 3 . 1 1 37 37 ALA CA C 37 50.662 50.662 52.086 -1.424 25817 702 1 3 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.715 -0.330 25817 703 1 3 . 1 1 37 37 ALA H H 37 7.923 7.923 8.540 -0.617 25817 704 1 3 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.466 -0.060 25817 705 1 3 . 1 1 38 38 PRO C C 38 176.806 176.806 175.916 0.890 25817 706 1 3 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.775 0.207 25817 707 1 3 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.358 -0.509 25817 708 1 3 . 1 1 39 39 ARG N N 39 119.994 119.994 118.137 1.857 25817 709 1 3 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.671 -0.371 25817 710 1 3 . 1 1 39 39 ARG C C 39 175.960 175.960 175.170 0.790 25817 711 1 3 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.437 0.371 25817 712 1 3 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.611 -0.603 25817 713 1 3 . 1 1 39 39 ARG H H 39 8.088 8.088 8.378 -0.290 25817 714 1 3 . 1 1 40 40 GLU N N 40 122.023 122.023 121.500 0.523 25817 715 1 3 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.738 -0.146 25817 716 1 3 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.327 0.784 25817 717 1 3 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.453 0.216 25817 718 1 3 . 1 1 40 40 GLU H H 40 8.179 8.179 8.604 -0.425 25817 719 1 3 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.353 0.042 25817 720 1 3 . 1 1 41 41 PRO C C 41 177.650 177.650 176.600 1.050 25817 721 1 3 . 1 1 41 41 PRO CA C 41 63.721 63.721 62.949 0.772 25817 722 1 3 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.263 1.531 25817 723 1 3 . 1 1 42 42 GLY N N 42 108.968 108.968 108.209 0.759 25817 724 1 3 . 1 1 42 42 GLY C C 42 173.943 173.943 173.900 0.043 25817 725 1 3 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.209 0.098 25817 726 1 3 . 1 1 42 42 GLY H H 42 8.387 8.387 7.881 0.506 25817 727 1 3 . 1 1 43 43 ALA N N 43 123.557 123.557 121.544 2.013 25817 728 1 3 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.579 -0.259 25817 729 1 3 . 1 1 43 43 ALA C C 43 177.613 177.613 176.649 0.964 25817 730 1 3 . 1 1 43 43 ALA CA C 43 52.536 52.536 51.275 1.261 25817 731 1 3 . 1 1 43 43 ALA CB C 43 19.258 19.258 20.789 -1.531 25817 732 1 3 . 1 1 43 43 ALA H H 43 7.963 7.963 7.660 0.303 25817 733 1 3 . 1 1 44 44 VAL N N 44 118.502 118.502 124.724 -6.222 25817 734 1 3 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.838 0.267 25817 735 1 3 . 1 1 44 44 VAL C C 44 175.735 175.735 176.087 -0.352 25817 736 1 3 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.136 -2.117 25817 737 1 3 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.457 1.444 25817 738 1 3 . 1 1 44 44 VAL H H 44 7.940 7.940 8.469 -0.529 25817 739 1 3 . 1 1 45 45 SER N N 45 119.252 119.252 122.479 -3.227 25817 740 1 3 . 1 1 45 45 SER HA H 45 4.438 4.438 4.755 -0.317 25817 741 1 3 . 1 1 45 45 SER C C 45 172.924 172.924 173.671 -0.747 25817 742 1 3 . 1 1 45 45 SER CA C 45 57.844 57.844 57.902 -0.058 25817 743 1 3 . 1 1 45 45 SER CB C 45 64.261 64.261 64.712 -0.451 25817 744 1 3 . 1 1 45 45 SER H H 45 8.082 8.082 8.486 -0.404 25817 745 1 4 . 1 1 2 2 SER N N 2 114.638 114.638 116.421 -1.783 25817 746 1 4 . 1 1 2 2 SER HA H 2 4.435 4.435 4.303 0.132 25817 747 1 4 . 1 1 2 2 SER C C 2 174.655 174.655 175.960 -1.305 25817 748 1 4 . 1 1 2 2 SER CA C 2 58.287 58.287 59.881 -1.594 25817 749 1 4 . 1 1 2 2 SER CB C 2 64.193 64.193 62.575 1.618 25817 750 1 4 . 1 1 2 2 SER H H 2 8.068 8.068 8.521 -0.453 25817 751 1 4 . 1 1 3 3 LYS N N 3 122.754 122.754 121.521 1.233 25817 752 1 4 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.997 0.209 25817 753 1 4 . 1 1 3 3 LYS C C 3 177.164 177.164 178.625 -1.461 25817 754 1 4 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.176 -1.123 25817 755 1 4 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.295 -0.267 25817 756 1 4 . 1 1 3 3 LYS H H 3 8.368 8.368 8.284 0.084 25817 757 1 4 . 1 1 4 4 GLU N N 4 118.462 118.462 119.640 -1.178 25817 758 1 4 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.048 -0.010 25817 759 1 4 . 1 1 4 4 GLU C C 4 177.164 177.164 179.079 -1.915 25817 760 1 4 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.386 -0.101 25817 761 1 4 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.116 -0.351 25817 762 1 4 . 1 1 4 4 GLU H H 4 8.411 8.411 7.755 0.656 25817 763 1 4 . 1 1 5 5 LEU N N 5 119.346 119.346 119.695 -0.349 25817 764 1 4 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.077 0.099 25817 765 1 4 . 1 1 5 5 LEU C C 5 179.105 179.105 179.149 -0.044 25817 766 1 4 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.634 -0.559 25817 767 1 4 . 1 1 5 5 LEU CB C 5 41.846 41.846 40.956 0.890 25817 768 1 4 . 1 1 5 5 LEU H H 5 7.879 7.879 7.829 0.050 25817 769 1 4 . 1 1 6 6 GLU N N 6 120.818 120.818 120.180 0.638 25817 770 1 4 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.037 -0.061 25817 771 1 4 . 1 1 6 6 GLU C C 6 177.071 177.071 179.411 -2.340 25817 772 1 4 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.449 -0.198 25817 773 1 4 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.389 -0.961 25817 774 1 4 . 1 1 6 6 GLU H H 6 8.349 8.349 7.621 0.728 25817 775 1 4 . 1 1 7 7 LEU N N 7 118.820 118.820 120.205 -1.385 25817 776 1 4 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.970 0.124 25817 777 1 4 . 1 1 7 7 LEU C C 7 179.724 179.724 179.337 0.387 25817 778 1 4 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.166 -0.138 25817 779 1 4 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.987 -0.081 25817 780 1 4 . 1 1 7 7 LEU H H 7 8.219 8.219 7.981 0.238 25817 781 1 4 . 1 1 8 8 ILE N N 8 120.124 120.124 119.563 0.561 25817 782 1 4 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.708 0.013 25817 783 1 4 . 1 1 8 8 ILE C C 8 176.524 176.524 178.262 -1.738 25817 784 1 4 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.072 0.029 25817 785 1 4 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.689 0.365 25817 786 1 4 . 1 1 8 8 ILE H H 8 8.336 8.336 7.717 0.619 25817 787 1 4 . 1 1 9 9 THR N N 9 116.052 116.052 116.848 -0.796 25817 788 1 4 . 1 1 9 9 THR HA H 9 4.204 4.204 3.993 0.211 25817 789 1 4 . 1 1 9 9 THR C C 9 176.094 176.094 176.641 -0.547 25817 790 1 4 . 1 1 9 9 THR CA C 9 67.399 67.399 66.710 0.689 25817 791 1 4 . 1 1 9 9 THR H H 9 7.900 7.900 8.064 -0.164 25817 792 1 4 . 1 1 10 10 LEU N N 10 119.799 119.799 121.839 -2.040 25817 793 1 4 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.079 -0.104 25817 794 1 4 . 1 1 10 10 LEU C C 10 177.752 177.752 178.068 -0.316 25817 795 1 4 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.416 -0.139 25817 796 1 4 . 1 1 10 10 LEU CB C 10 42.380 42.380 42.003 0.377 25817 797 1 4 . 1 1 10 10 LEU H H 10 8.045 8.045 8.365 -0.320 25817 798 1 4 . 1 1 11 11 THR N N 11 114.472 114.472 116.871 -2.399 25817 799 1 4 . 1 1 11 11 THR HA H 11 4.200 4.200 3.898 0.302 25817 800 1 4 . 1 1 11 11 THR C C 11 176.296 176.296 176.810 -0.514 25817 801 1 4 . 1 1 11 11 THR CA C 11 68.061 68.061 68.196 -0.135 25817 802 1 4 . 1 1 11 11 THR H H 11 7.904 7.904 8.039 -0.135 25817 803 1 4 . 1 1 12 12 VAL N N 12 120.338 120.338 120.932 -0.594 25817 804 1 4 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.625 -0.063 25817 805 1 4 . 1 1 12 12 VAL C C 12 177.759 177.759 177.907 -0.148 25817 806 1 4 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.933 -0.009 25817 807 1 4 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.618 -0.052 25817 808 1 4 . 1 1 12 12 VAL H H 12 8.297 8.297 7.753 0.544 25817 809 1 4 . 1 1 13 13 GLY N N 13 106.329 106.329 108.084 -1.755 25817 810 1 4 . 1 1 13 13 GLY C C 13 174.383 174.383 175.872 -1.489 25817 811 1 4 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.310 0.442 25817 812 1 4 . 1 1 13 13 GLY H H 13 8.519 8.519 7.827 0.692 25817 813 1 4 . 1 1 14 14 PHE N N 14 120.488 120.488 123.122 -2.634 25817 814 1 4 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.271 -0.071 25817 815 1 4 . 1 1 14 14 PHE C C 14 177.591 177.591 177.332 0.259 25817 816 1 4 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.448 1.174 25817 817 1 4 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.120 -0.204 25817 818 1 4 . 1 1 14 14 PHE H H 14 8.641 8.641 8.802 -0.161 25817 819 1 4 . 1 1 15 15 GLY N N 15 106.569 106.569 107.947 -1.378 25817 820 1 4 . 1 1 15 15 GLY C C 15 174.533 174.533 175.921 -1.388 25817 821 1 4 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.249 0.383 25817 822 1 4 . 1 1 15 15 GLY H H 15 8.573 8.573 8.086 0.487 25817 823 1 4 . 1 1 16 16 ILE N N 16 120.720 120.720 123.025 -2.305 25817 824 1 4 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.734 -0.109 25817 825 1 4 . 1 1 16 16 ILE C C 16 178.658 178.658 177.347 1.311 25817 826 1 4 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.733 0.697 25817 827 1 4 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.070 -0.882 25817 828 1 4 . 1 1 16 16 ILE H H 16 8.573 8.573 7.902 0.671 25817 829 1 4 . 1 1 17 17 LEU N N 17 123.135 123.135 121.370 1.765 25817 830 1 4 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.884 0.069 25817 831 1 4 . 1 1 17 17 LEU C C 17 178.226 178.226 178.519 -0.293 25817 832 1 4 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.559 0.359 25817 833 1 4 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.892 -0.346 25817 834 1 4 . 1 1 17 17 LEU H H 17 8.191 8.191 7.827 0.364 25817 835 1 4 . 1 1 18 18 ILE N N 18 117.937 117.937 119.386 -1.449 25817 836 1 4 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.397 0.166 25817 837 1 4 . 1 1 18 18 ILE C C 18 177.812 177.812 177.612 0.200 25817 838 1 4 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.672 -1.002 25817 839 1 4 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.644 -1.132 25817 840 1 4 . 1 1 18 18 ILE H H 18 8.455 8.455 7.401 1.054 25817 841 1 4 . 1 1 19 19 PHE N N 19 119.250 119.250 119.264 -0.014 25817 842 1 4 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.918 0.179 25817 843 1 4 . 1 1 19 19 PHE C C 19 177.133 177.133 177.882 -0.749 25817 844 1 4 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.480 -0.578 25817 845 1 4 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.989 0.291 25817 846 1 4 . 1 1 19 19 PHE H H 19 8.629 8.629 7.873 0.756 25817 847 1 4 . 1 1 20 20 SER N N 20 114.851 114.851 115.252 -0.401 25817 848 1 4 . 1 1 20 20 SER HA H 20 4.049 4.049 4.127 -0.078 25817 849 1 4 . 1 1 20 20 SER C C 20 177.062 177.062 176.597 0.465 25817 850 1 4 . 1 1 20 20 SER CA C 20 63.443 63.443 62.226 1.217 25817 851 1 4 . 1 1 20 20 SER H H 20 8.588 8.588 8.632 -0.044 25817 852 1 4 . 1 1 21 21 LEU N N 21 124.926 124.926 123.133 1.793 25817 853 1 4 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.096 -0.074 25817 854 1 4 . 1 1 21 21 LEU C C 21 178.183 178.183 178.653 -0.470 25817 855 1 4 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.947 0.384 25817 856 1 4 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.127 -0.356 25817 857 1 4 . 1 1 21 21 LEU H H 21 8.194 8.194 7.882 0.312 25817 858 1 4 . 1 1 22 22 ILE N N 22 119.416 119.416 118.663 0.753 25817 859 1 4 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.626 -0.014 25817 860 1 4 . 1 1 22 22 ILE C C 22 178.539 178.539 178.353 0.186 25817 861 1 4 . 1 1 22 22 ILE CA C 22 65.961 65.961 64.889 1.071 25817 862 1 4 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.491 1.373 25817 863 1 4 . 1 1 22 22 ILE H H 22 8.173 8.173 8.411 -0.238 25817 864 1 4 . 1 1 23 23 VAL N N 23 119.631 119.631 120.494 -0.863 25817 865 1 4 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.602 -0.251 25817 866 1 4 . 1 1 23 23 VAL C C 23 177.480 177.480 177.756 -0.276 25817 867 1 4 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.453 0.351 25817 868 1 4 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.879 -0.508 25817 869 1 4 . 1 1 23 23 VAL H H 23 8.517 8.517 8.063 0.454 25817 870 1 4 . 1 1 24 24 THR N N 24 115.196 115.196 117.248 -2.052 25817 871 1 4 . 1 1 24 24 THR HA H 24 4.212 4.212 3.910 0.302 25817 872 1 4 . 1 1 24 24 THR C C 24 176.559 176.559 176.447 0.112 25817 873 1 4 . 1 1 24 24 THR CA C 24 68.061 68.061 67.171 0.890 25817 874 1 4 . 1 1 24 24 THR H H 24 8.009 8.009 7.851 0.158 25817 875 1 4 . 1 1 25 25 TYR N N 25 121.989 121.989 123.272 -1.283 25817 876 1 4 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.146 -0.111 25817 877 1 4 . 1 1 25 25 TYR C C 25 177.742 177.742 177.097 0.645 25817 878 1 4 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.080 0.408 25817 879 1 4 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.630 0.136 25817 880 1 4 . 1 1 25 25 TYR H H 25 8.447 8.447 8.665 -0.218 25817 881 1 4 . 1 1 26 26 CYS N N 26 117.031 117.031 118.112 -1.081 25817 882 1 4 . 1 1 26 26 CYS HA H 26 3.929 3.929 4.047 -0.118 25817 883 1 4 . 1 1 26 26 CYS C C 26 176.855 176.855 177.398 -0.543 25817 884 1 4 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.934 0.443 25817 885 1 4 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.622 0.669 25817 886 1 4 . 1 1 26 26 CYS H H 26 8.456 8.456 8.166 0.290 25817 887 1 4 . 1 1 27 27 ILE N N 27 118.019 118.019 121.215 -3.196 25817 888 1 4 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.542 0.183 25817 889 1 4 . 1 1 27 27 ILE C C 27 177.543 177.543 177.635 -0.092 25817 890 1 4 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.704 -1.049 25817 891 1 4 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.758 -0.067 25817 892 1 4 . 1 1 27 27 ILE H H 27 8.460 8.460 8.096 0.364 25817 893 1 4 . 1 1 28 28 ASN N N 28 117.725 117.725 118.157 -0.432 25817 894 1 4 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.289 0.177 25817 895 1 4 . 1 1 28 28 ASN C C 28 176.330 176.330 177.328 -0.998 25817 896 1 4 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.410 -0.356 25817 897 1 4 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.875 1.694 25817 898 1 4 . 1 1 28 28 ASN H H 28 7.933 7.933 8.132 -0.199 25817 899 1 4 . 1 1 29 29 ALA N N 29 120.930 120.930 123.037 -2.107 25817 900 1 4 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.961 0.164 25817 901 1 4 . 1 1 29 29 ALA C C 29 178.485 178.485 179.301 -0.816 25817 902 1 4 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.854 -1.208 25817 903 1 4 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.366 0.437 25817 904 1 4 . 1 1 29 29 ALA H H 29 8.116 8.116 7.707 0.409 25817 905 1 4 . 1 1 30 30 LYS N N 30 116.477 116.477 118.611 -2.134 25817 906 1 4 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.952 0.341 25817 907 1 4 . 1 1 30 30 LYS C C 30 176.352 176.352 178.585 -2.233 25817 908 1 4 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.777 -2.876 25817 909 1 4 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.216 -0.070 25817 910 1 4 . 1 1 30 30 LYS H H 30 7.710 7.710 7.618 0.092 25817 911 1 4 . 1 1 31 31 ALA N N 31 122.148 122.148 122.210 -0.062 25817 912 1 4 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.263 -0.031 25817 913 1 4 . 1 1 31 31 ALA C C 31 177.308 177.308 179.684 -2.376 25817 914 1 4 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.560 -1.218 25817 915 1 4 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.157 0.311 25817 916 1 4 . 1 1 31 31 ALA H H 31 7.881 7.881 7.930 -0.049 25817 917 1 4 . 1 1 32 32 ASP N N 32 117.233 117.233 120.327 -3.094 25817 918 1 4 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.531 -0.003 25817 919 1 4 . 1 1 32 32 ASP C C 32 176.069 176.069 178.930 -2.861 25817 920 1 4 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.299 -2.526 25817 921 1 4 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.059 0.161 25817 922 1 4 . 1 1 32 32 ASP H H 32 8.251 8.251 8.408 -0.157 25817 923 1 4 . 1 1 33 33 VAL N N 33 116.751 116.751 118.970 -2.219 25817 924 1 4 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.794 0.308 25817 925 1 4 . 1 1 33 33 VAL C C 33 175.474 175.474 177.292 -1.818 25817 926 1 4 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.191 -2.573 25817 927 1 4 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.488 1.319 25817 928 1 4 . 1 1 33 33 VAL H H 33 7.647 7.647 7.939 -0.292 25817 929 1 4 . 1 1 34 34 LEU N N 34 121.923 121.923 119.135 2.788 25817 930 1 4 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.210 0.054 25817 931 1 4 . 1 1 34 34 LEU C C 34 176.502 176.502 176.012 0.490 25817 932 1 4 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.179 0.124 25817 933 1 4 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.187 0.478 25817 934 1 4 . 1 1 34 34 LEU H H 34 7.876 7.876 8.011 -0.135 25817 935 1 4 . 1 1 35 35 PHE N N 35 118.600 118.600 119.932 -1.332 25817 936 1 4 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.640 -0.045 25817 937 1 4 . 1 1 35 35 PHE C C 35 175.009 175.009 174.877 0.132 25817 938 1 4 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.858 1.101 25817 939 1 4 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.805 -0.516 25817 940 1 4 . 1 1 35 35 PHE H H 35 7.788 7.788 7.579 0.209 25817 941 1 4 . 1 1 36 36 ILE N N 36 119.235 119.235 119.650 -0.415 25817 942 1 4 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.748 0.358 25817 943 1 4 . 1 1 36 36 ILE C C 36 174.800 174.800 175.552 -0.752 25817 944 1 4 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.276 -0.459 25817 945 1 4 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.452 3.507 25817 946 1 4 . 1 1 36 36 ILE H H 36 7.489 7.489 8.434 -0.945 25817 947 1 4 . 1 1 37 37 ALA N N 37 126.894 126.894 125.355 1.539 25817 948 1 4 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.285 0.238 25817 949 1 4 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.877 -1.215 25817 950 1 4 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.709 -0.324 25817 951 1 4 . 1 1 37 37 ALA H H 37 7.923 7.923 8.156 -0.233 25817 952 1 4 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.487 -0.081 25817 953 1 4 . 1 1 38 38 PRO C C 38 176.806 176.806 175.884 0.922 25817 954 1 4 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.681 0.301 25817 955 1 4 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.557 -0.708 25817 956 1 4 . 1 1 39 39 ARG N N 39 119.994 119.994 120.178 -0.184 25817 957 1 4 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.657 -0.357 25817 958 1 4 . 1 1 39 39 ARG C C 39 175.960 175.960 175.840 0.120 25817 959 1 4 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.259 0.549 25817 960 1 4 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.637 -0.629 25817 961 1 4 . 1 1 39 39 ARG H H 39 8.088 8.088 8.238 -0.150 25817 962 1 4 . 1 1 40 40 GLU N N 40 122.023 122.023 123.759 -1.736 25817 963 1 4 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.343 0.249 25817 964 1 4 . 1 1 40 40 GLU CA C 40 54.111 54.111 54.970 -0.859 25817 965 1 4 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.898 -0.229 25817 966 1 4 . 1 1 40 40 GLU H H 40 8.179 8.179 8.640 -0.461 25817 967 1 4 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.180 0.215 25817 968 1 4 . 1 1 41 41 PRO C C 41 177.650 177.650 176.761 0.889 25817 969 1 4 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.626 0.095 25817 970 1 4 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.256 1.538 25817 971 1 4 . 1 1 42 42 GLY N N 42 108.968 108.968 113.113 -4.145 25817 972 1 4 . 1 1 42 42 GLY C C 42 173.943 173.943 175.434 -1.491 25817 973 1 4 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.754 0.553 25817 974 1 4 . 1 1 42 42 GLY H H 42 8.387 8.387 8.265 0.122 25817 975 1 4 . 1 1 43 43 ALA N N 43 123.557 123.557 123.568 -0.011 25817 976 1 4 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.076 0.244 25817 977 1 4 . 1 1 43 43 ALA C C 43 177.613 177.613 178.410 -0.797 25817 978 1 4 . 1 1 43 43 ALA CA C 43 52.536 52.536 55.049 -2.513 25817 979 1 4 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.426 0.832 25817 980 1 4 . 1 1 43 43 ALA H H 43 7.963 7.963 8.003 -0.040 25817 981 1 4 . 1 1 44 44 VAL N N 44 118.502 118.502 118.900 -0.398 25817 982 1 4 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.891 0.214 25817 983 1 4 . 1 1 44 44 VAL C C 44 175.735 175.735 177.853 -2.118 25817 984 1 4 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.606 -2.587 25817 985 1 4 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.688 1.213 25817 986 1 4 . 1 1 44 44 VAL H H 44 7.940 7.940 7.872 0.068 25817 987 1 4 . 1 1 45 45 SER N N 45 119.252 119.252 114.233 5.019 25817 988 1 4 . 1 1 45 45 SER HA H 45 4.438 4.438 4.394 0.044 25817 989 1 4 . 1 1 45 45 SER C C 45 172.924 172.924 175.199 -2.275 25817 990 1 4 . 1 1 45 45 SER CA C 45 57.844 57.844 60.028 -2.184 25817 991 1 4 . 1 1 45 45 SER CB C 45 64.261 64.261 63.374 0.887 25817 992 1 4 . 1 1 45 45 SER H H 45 8.082 8.082 8.165 -0.083 25817 993 1 5 . 1 1 2 2 SER N N 2 114.638 114.638 115.190 -0.552 25817 994 1 5 . 1 1 2 2 SER HA H 2 4.435 4.435 4.142 0.293 25817 995 1 5 . 1 1 2 2 SER C C 2 174.655 174.655 175.154 -0.499 25817 996 1 5 . 1 1 2 2 SER CA C 2 58.287 58.287 58.395 -0.109 25817 997 1 5 . 1 1 2 2 SER CB C 2 64.193 64.193 63.072 1.121 25817 998 1 5 . 1 1 2 2 SER H H 2 8.068 8.068 8.515 -0.447 25817 999 1 5 . 1 1 3 3 LYS N N 3 122.754 122.754 121.846 0.908 25817 1000 1 5 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.019 0.187 25817 1001 1 5 . 1 1 3 3 LYS C C 3 177.164 177.164 178.147 -0.983 25817 1002 1 5 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.139 -1.087 25817 1003 1 5 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.651 -0.623 25817 1004 1 5 . 1 1 3 3 LYS H H 3 8.368 8.368 8.449 -0.081 25817 1005 1 5 . 1 1 4 4 GLU N N 4 118.462 118.462 119.108 -0.646 25817 1006 1 5 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.106 -0.068 25817 1007 1 5 . 1 1 4 4 GLU C C 4 177.164 177.164 178.976 -1.812 25817 1008 1 5 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.279 0.006 25817 1009 1 5 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.050 -0.285 25817 1010 1 5 . 1 1 4 4 GLU H H 4 8.411 8.411 8.761 -0.350 25817 1011 1 5 . 1 1 5 5 LEU N N 5 119.346 119.346 120.193 -0.847 25817 1012 1 5 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.011 0.165 25817 1013 1 5 . 1 1 5 5 LEU C C 5 179.105 179.105 179.134 -0.029 25817 1014 1 5 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.890 -0.815 25817 1015 1 5 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.670 0.176 25817 1016 1 5 . 1 1 5 5 LEU H H 5 7.879 7.879 8.004 -0.125 25817 1017 1 5 . 1 1 6 6 GLU N N 6 120.818 120.818 120.203 0.615 25817 1018 1 5 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.950 0.026 25817 1019 1 5 . 1 1 6 6 GLU C C 6 177.071 177.071 179.313 -2.242 25817 1020 1 5 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.847 -0.596 25817 1021 1 5 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.655 -1.227 25817 1022 1 5 . 1 1 6 6 GLU H H 6 8.349 8.349 7.967 0.382 25817 1023 1 5 . 1 1 7 7 LEU N N 7 118.820 118.820 120.366 -1.546 25817 1024 1 5 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.924 0.170 25817 1025 1 5 . 1 1 7 7 LEU C C 7 179.724 179.724 179.075 0.649 25817 1026 1 5 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.310 -0.282 25817 1027 1 5 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.732 0.174 25817 1028 1 5 . 1 1 7 7 LEU H H 7 8.219 8.219 8.412 -0.193 25817 1029 1 5 . 1 1 8 8 ILE N N 8 120.124 120.124 119.686 0.438 25817 1030 1 5 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.666 0.055 25817 1031 1 5 . 1 1 8 8 ILE C C 8 176.524 176.524 178.307 -1.783 25817 1032 1 5 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.081 0.020 25817 1033 1 5 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.919 1.135 25817 1034 1 5 . 1 1 8 8 ILE H H 8 8.336 8.336 7.875 0.461 25817 1035 1 5 . 1 1 9 9 THR N N 9 116.052 116.052 116.787 -0.735 25817 1036 1 5 . 1 1 9 9 THR HA H 9 4.204 4.204 3.956 0.248 25817 1037 1 5 . 1 1 9 9 THR C C 9 176.094 176.094 177.042 -0.948 25817 1038 1 5 . 1 1 9 9 THR CA C 9 67.399 67.399 67.306 0.093 25817 1039 1 5 . 1 1 9 9 THR H H 9 7.900 7.900 8.299 -0.399 25817 1040 1 5 . 1 1 10 10 LEU N N 10 119.799 119.799 122.034 -2.235 25817 1041 1 5 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.999 -0.024 25817 1042 1 5 . 1 1 10 10 LEU C C 10 177.752 177.752 178.519 -0.767 25817 1043 1 5 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.292 -0.015 25817 1044 1 5 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.847 0.533 25817 1045 1 5 . 1 1 10 10 LEU H H 10 8.045 8.045 8.365 -0.320 25817 1046 1 5 . 1 1 11 11 THR N N 11 114.472 114.472 116.463 -1.991 25817 1047 1 5 . 1 1 11 11 THR HA H 11 4.200 4.200 3.970 0.230 25817 1048 1 5 . 1 1 11 11 THR C C 11 176.296 176.296 177.074 -0.778 25817 1049 1 5 . 1 1 11 11 THR CA C 11 68.061 68.061 67.204 0.857 25817 1050 1 5 . 1 1 11 11 THR H H 11 7.904 7.904 8.484 -0.580 25817 1051 1 5 . 1 1 12 12 VAL N N 12 120.338 120.338 120.596 -0.258 25817 1052 1 5 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.824 -0.262 25817 1053 1 5 . 1 1 12 12 VAL C C 12 177.759 177.759 178.202 -0.443 25817 1054 1 5 . 1 1 12 12 VAL CA C 12 66.924 66.924 65.985 0.939 25817 1055 1 5 . 1 1 12 12 VAL CB C 12 31.566 31.566 30.973 0.593 25817 1056 1 5 . 1 1 12 12 VAL H H 12 8.297 8.297 8.173 0.124 25817 1057 1 5 . 1 1 13 13 GLY N N 13 106.329 106.329 108.276 -1.947 25817 1058 1 5 . 1 1 13 13 GLY C C 13 174.383 174.383 175.982 -1.599 25817 1059 1 5 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.299 0.454 25817 1060 1 5 . 1 1 13 13 GLY H H 13 8.519 8.519 7.908 0.611 25817 1061 1 5 . 1 1 14 14 PHE N N 14 120.488 120.488 123.260 -2.772 25817 1062 1 5 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.249 -0.049 25817 1063 1 5 . 1 1 14 14 PHE C C 14 177.591 177.591 177.324 0.267 25817 1064 1 5 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.623 0.999 25817 1065 1 5 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.080 -0.164 25817 1066 1 5 . 1 1 14 14 PHE H H 14 8.641 8.641 8.689 -0.048 25817 1067 1 5 . 1 1 15 15 GLY N N 15 106.569 106.569 107.275 -0.706 25817 1068 1 5 . 1 1 15 15 GLY C C 15 174.533 174.533 176.318 -1.785 25817 1069 1 5 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.230 0.402 25817 1070 1 5 . 1 1 15 15 GLY H H 15 8.573 8.573 8.118 0.455 25817 1071 1 5 . 1 1 16 16 ILE N N 16 120.720 120.720 122.832 -2.112 25817 1072 1 5 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.956 -0.331 25817 1073 1 5 . 1 1 16 16 ILE C C 16 178.658 178.658 177.635 1.023 25817 1074 1 5 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.984 1.446 25817 1075 1 5 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.528 -0.340 25817 1076 1 5 . 1 1 16 16 ILE H H 16 8.573 8.573 7.902 0.671 25817 1077 1 5 . 1 1 17 17 LEU N N 17 123.135 123.135 121.379 1.756 25817 1078 1 5 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.891 0.062 25817 1079 1 5 . 1 1 17 17 LEU C C 17 178.226 178.226 179.146 -0.920 25817 1080 1 5 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.545 0.371 25817 1081 1 5 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.819 -0.273 25817 1082 1 5 . 1 1 17 17 LEU H H 17 8.191 8.191 8.011 0.180 25817 1083 1 5 . 1 1 18 18 ILE N N 18 117.937 117.937 119.448 -1.511 25817 1084 1 5 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.412 0.151 25817 1085 1 5 . 1 1 18 18 ILE C C 18 177.812 177.812 177.678 0.134 25817 1086 1 5 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.577 -0.907 25817 1087 1 5 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.644 -1.132 25817 1088 1 5 . 1 1 18 18 ILE H H 18 8.455 8.455 7.475 0.980 25817 1089 1 5 . 1 1 19 19 PHE N N 19 119.250 119.250 119.520 -0.270 25817 1090 1 5 . 1 1 19 19 PHE HA H 19 4.097 4.097 4.005 0.092 25817 1091 1 5 . 1 1 19 19 PHE C C 19 177.133 177.133 177.791 -0.658 25817 1092 1 5 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.112 -0.210 25817 1093 1 5 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.721 0.559 25817 1094 1 5 . 1 1 19 19 PHE H H 19 8.629 8.629 7.745 0.884 25817 1095 1 5 . 1 1 20 20 SER N N 20 114.851 114.851 115.711 -0.860 25817 1096 1 5 . 1 1 20 20 SER HA H 20 4.049 4.049 4.106 -0.057 25817 1097 1 5 . 1 1 20 20 SER C C 20 177.062 177.062 176.796 0.266 25817 1098 1 5 . 1 1 20 20 SER CA C 20 63.443 63.443 62.283 1.160 25817 1099 1 5 . 1 1 20 20 SER H H 20 8.588 8.588 8.699 -0.111 25817 1100 1 5 . 1 1 21 21 LEU N N 21 124.926 124.926 123.426 1.500 25817 1101 1 5 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.088 -0.066 25817 1102 1 5 . 1 1 21 21 LEU C C 21 178.183 178.183 178.167 0.016 25817 1103 1 5 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.286 0.045 25817 1104 1 5 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.112 -0.341 25817 1105 1 5 . 1 1 21 21 LEU H H 21 8.194 8.194 7.634 0.560 25817 1106 1 5 . 1 1 22 22 ILE N N 22 119.416 119.416 118.985 0.431 25817 1107 1 5 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.587 0.025 25817 1108 1 5 . 1 1 22 22 ILE C C 22 178.539 178.539 178.358 0.181 25817 1109 1 5 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.436 0.525 25817 1110 1 5 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.389 0.475 25817 1111 1 5 . 1 1 22 22 ILE H H 22 8.173 8.173 7.895 0.278 25817 1112 1 5 . 1 1 23 23 VAL N N 23 119.631 119.631 120.310 -0.679 25817 1113 1 5 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.755 -0.404 25817 1114 1 5 . 1 1 23 23 VAL C C 23 177.480 177.480 178.108 -0.628 25817 1115 1 5 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.177 0.627 25817 1116 1 5 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.271 0.100 25817 1117 1 5 . 1 1 23 23 VAL H H 23 8.517 8.517 8.011 0.506 25817 1118 1 5 . 1 1 24 24 THR N N 24 115.196 115.196 117.446 -2.250 25817 1119 1 5 . 1 1 24 24 THR HA H 24 4.212 4.212 3.943 0.269 25817 1120 1 5 . 1 1 24 24 THR C C 24 176.559 176.559 176.439 0.120 25817 1121 1 5 . 1 1 24 24 THR CA C 24 68.061 68.061 67.266 0.795 25817 1122 1 5 . 1 1 24 24 THR H H 24 8.009 8.009 8.107 -0.098 25817 1123 1 5 . 1 1 25 25 TYR N N 25 121.989 121.989 122.794 -0.805 25817 1124 1 5 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.153 -0.118 25817 1125 1 5 . 1 1 25 25 TYR C C 25 177.742 177.742 177.001 0.741 25817 1126 1 5 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.172 0.316 25817 1127 1 5 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.460 0.306 25817 1128 1 5 . 1 1 25 25 TYR H H 25 8.447 8.447 8.536 -0.089 25817 1129 1 5 . 1 1 26 26 CYS N N 26 117.031 117.031 118.484 -1.453 25817 1130 1 5 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.997 -0.068 25817 1131 1 5 . 1 1 26 26 CYS C C 26 176.855 176.855 177.033 -0.178 25817 1132 1 5 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.813 -0.436 25817 1133 1 5 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.608 -0.317 25817 1134 1 5 . 1 1 26 26 CYS H H 26 8.456 8.456 7.917 0.539 25817 1135 1 5 . 1 1 27 27 ILE N N 27 118.019 118.019 120.513 -2.494 25817 1136 1 5 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.503 0.222 25817 1137 1 5 . 1 1 27 27 ILE C C 27 177.543 177.543 177.446 0.097 25817 1138 1 5 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.734 -1.079 25817 1139 1 5 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.739 -0.048 25817 1140 1 5 . 1 1 27 27 ILE H H 27 8.460 8.460 7.880 0.580 25817 1141 1 5 . 1 1 28 28 ASN N N 28 117.725 117.725 118.240 -0.515 25817 1142 1 5 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.206 0.260 25817 1143 1 5 . 1 1 28 28 ASN C C 28 176.330 176.330 177.286 -0.956 25817 1144 1 5 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.330 -0.276 25817 1145 1 5 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.344 1.225 25817 1146 1 5 . 1 1 28 28 ASN H H 28 7.933 7.933 8.169 -0.236 25817 1147 1 5 . 1 1 29 29 ALA N N 29 120.930 120.930 123.227 -2.297 25817 1148 1 5 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.927 0.198 25817 1149 1 5 . 1 1 29 29 ALA C C 29 178.485 178.485 178.952 -0.467 25817 1150 1 5 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.843 -1.197 25817 1151 1 5 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.357 0.446 25817 1152 1 5 . 1 1 29 29 ALA H H 29 8.116 8.116 7.684 0.432 25817 1153 1 5 . 1 1 30 30 LYS N N 30 116.477 116.477 118.478 -2.001 25817 1154 1 5 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.980 0.313 25817 1155 1 5 . 1 1 30 30 LYS C C 30 176.352 176.352 178.460 -2.108 25817 1156 1 5 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.802 -2.901 25817 1157 1 5 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.277 -0.131 25817 1158 1 5 . 1 1 30 30 LYS H H 30 7.710 7.710 7.837 -0.127 25817 1159 1 5 . 1 1 31 31 ALA N N 31 122.148 122.148 121.895 0.253 25817 1160 1 5 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.400 -0.167 25817 1161 1 5 . 1 1 31 31 ALA C C 31 177.308 177.308 179.639 -2.331 25817 1162 1 5 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.279 -0.937 25817 1163 1 5 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.224 0.244 25817 1164 1 5 . 1 1 31 31 ALA H H 31 7.881 7.881 8.013 -0.132 25817 1165 1 5 . 1 1 32 32 ASP N N 32 117.233 117.233 120.920 -3.687 25817 1166 1 5 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.315 0.213 25817 1167 1 5 . 1 1 32 32 ASP C C 32 176.069 176.069 178.842 -2.773 25817 1168 1 5 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.157 -2.384 25817 1169 1 5 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.220 -0.000 25817 1170 1 5 . 1 1 32 32 ASP H H 32 8.251 8.251 8.121 0.130 25817 1171 1 5 . 1 1 33 33 VAL N N 33 116.751 116.751 119.027 -2.276 25817 1172 1 5 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.830 0.272 25817 1173 1 5 . 1 1 33 33 VAL C C 33 175.474 175.474 176.661 -1.187 25817 1174 1 5 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.065 -2.447 25817 1175 1 5 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.638 1.169 25817 1176 1 5 . 1 1 33 33 VAL H H 33 7.647 7.647 7.767 -0.120 25817 1177 1 5 . 1 1 34 34 LEU N N 34 121.923 121.923 119.024 2.899 25817 1178 1 5 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.446 -0.182 25817 1179 1 5 . 1 1 34 34 LEU C C 34 176.502 176.502 176.421 0.081 25817 1180 1 5 . 1 1 34 34 LEU CA C 34 55.303 55.303 54.970 0.333 25817 1181 1 5 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.176 0.489 25817 1182 1 5 . 1 1 34 34 LEU H H 34 7.876 7.876 7.881 -0.005 25817 1183 1 5 . 1 1 35 35 PHE N N 35 118.600 118.600 121.285 -2.685 25817 1184 1 5 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.610 -0.015 25817 1185 1 5 . 1 1 35 35 PHE C C 35 175.009 175.009 175.114 -0.105 25817 1186 1 5 . 1 1 35 35 PHE CA C 35 57.958 57.958 57.220 0.738 25817 1187 1 5 . 1 1 35 35 PHE CB C 35 39.289 39.289 37.889 1.400 25817 1188 1 5 . 1 1 35 35 PHE H H 35 7.788 7.788 8.117 -0.329 25817 1189 1 5 . 1 1 36 36 ILE N N 36 119.235 119.235 118.777 0.458 25817 1190 1 5 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.642 0.464 25817 1191 1 5 . 1 1 36 36 ILE C C 36 174.800 174.800 175.424 -0.624 25817 1192 1 5 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.777 -0.961 25817 1193 1 5 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.896 3.063 25817 1194 1 5 . 1 1 36 36 ILE H H 36 7.489 7.489 8.186 -0.697 25817 1195 1 5 . 1 1 37 37 ALA N N 37 126.894 126.894 121.949 4.945 25817 1196 1 5 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.214 0.309 25817 1197 1 5 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.790 -1.128 25817 1198 1 5 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.649 -0.265 25817 1199 1 5 . 1 1 37 37 ALA H H 37 7.923 7.923 7.811 0.112 25817 1200 1 5 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.454 -0.048 25817 1201 1 5 . 1 1 38 38 PRO C C 38 176.806 176.806 175.884 0.922 25817 1202 1 5 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.813 0.169 25817 1203 1 5 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.552 -0.703 25817 1204 1 5 . 1 1 39 39 ARG N N 39 119.994 119.994 120.632 -0.638 25817 1205 1 5 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.605 -0.305 25817 1206 1 5 . 1 1 39 39 ARG C C 39 175.960 175.960 176.058 -0.098 25817 1207 1 5 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.256 0.552 25817 1208 1 5 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.265 -0.257 25817 1209 1 5 . 1 1 39 39 ARG H H 39 8.088 8.088 8.223 -0.135 25817 1210 1 5 . 1 1 40 40 GLU N N 40 122.023 122.023 120.989 1.034 25817 1211 1 5 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.436 0.156 25817 1212 1 5 . 1 1 40 40 GLU CA C 40 54.111 54.111 54.493 -0.383 25817 1213 1 5 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.548 0.121 25817 1214 1 5 . 1 1 40 40 GLU H H 40 8.179 8.179 8.528 -0.349 25817 1215 1 5 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.389 0.006 25817 1216 1 5 . 1 1 41 41 PRO C C 41 177.650 177.650 176.969 0.681 25817 1217 1 5 . 1 1 41 41 PRO CA C 41 63.721 63.721 62.991 0.730 25817 1218 1 5 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.043 -0.249 25817 1219 1 5 . 1 1 42 42 GLY N N 42 108.968 108.968 107.810 1.158 25817 1220 1 5 . 1 1 42 42 GLY C C 42 173.943 173.943 174.258 -0.315 25817 1221 1 5 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.069 0.238 25817 1222 1 5 . 1 1 42 42 GLY H H 42 8.387 8.387 8.085 0.302 25817 1223 1 5 . 1 1 43 43 ALA N N 43 123.557 123.557 118.375 5.182 25817 1224 1 5 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.018 0.302 25817 1225 1 5 . 1 1 43 43 ALA C C 43 177.613 177.613 177.408 0.205 25817 1226 1 5 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.709 -0.173 25817 1227 1 5 . 1 1 43 43 ALA CB C 43 19.258 19.258 17.959 1.299 25817 1228 1 5 . 1 1 43 43 ALA H H 43 7.963 7.963 7.980 -0.017 25817 1229 1 5 . 1 1 44 44 VAL N N 44 118.502 118.502 114.414 4.088 25817 1230 1 5 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.552 0.553 25817 1231 1 5 . 1 1 44 44 VAL C C 44 175.735 175.735 177.119 -1.384 25817 1232 1 5 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.552 -2.533 25817 1233 1 5 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.330 1.571 25817 1234 1 5 . 1 1 44 44 VAL H H 44 7.940 7.940 7.752 0.188 25817 1235 1 5 . 1 1 45 45 SER N N 45 119.252 119.252 114.532 4.720 25817 1236 1 5 . 1 1 45 45 SER HA H 45 4.438 4.438 4.561 -0.123 25817 1237 1 5 . 1 1 45 45 SER C C 45 172.924 172.924 173.475 -0.551 25817 1238 1 5 . 1 1 45 45 SER CA C 45 57.844 57.844 57.976 -0.132 25817 1239 1 5 . 1 1 45 45 SER CB C 45 64.261 64.261 63.597 0.664 25817 1240 1 5 . 1 1 45 45 SER H H 45 8.082 8.082 7.958 0.124 25817 1241 1 6 . 1 1 2 2 SER N N 2 114.638 114.638 114.423 0.215 25817 1242 1 6 . 1 1 2 2 SER HA H 2 4.435 4.435 4.166 0.269 25817 1243 1 6 . 1 1 2 2 SER C C 2 174.655 174.655 175.102 -0.447 25817 1244 1 6 . 1 1 2 2 SER CA C 2 58.287 58.287 58.567 -0.280 25817 1245 1 6 . 1 1 2 2 SER CB C 2 64.193 64.193 62.726 1.467 25817 1246 1 6 . 1 1 2 2 SER H H 2 8.068 8.068 8.269 -0.201 25817 1247 1 6 . 1 1 3 3 LYS N N 3 122.754 122.754 121.312 1.442 25817 1248 1 6 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.966 0.240 25817 1249 1 6 . 1 1 3 3 LYS C C 3 177.164 177.164 177.853 -0.689 25817 1250 1 6 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.165 -1.112 25817 1251 1 6 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.488 -0.460 25817 1252 1 6 . 1 1 3 3 LYS H H 3 8.368 8.368 8.314 0.054 25817 1253 1 6 . 1 1 4 4 GLU N N 4 118.462 118.462 119.178 -0.716 25817 1254 1 6 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.069 -0.031 25817 1255 1 6 . 1 1 4 4 GLU C C 4 177.164 177.164 178.710 -1.546 25817 1256 1 6 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.201 0.084 25817 1257 1 6 . 1 1 4 4 GLU CB C 4 28.765 28.765 28.817 -0.052 25817 1258 1 6 . 1 1 4 4 GLU H H 4 8.411 8.411 8.664 -0.253 25817 1259 1 6 . 1 1 5 5 LEU N N 5 119.346 119.346 120.543 -1.197 25817 1260 1 6 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.984 0.192 25817 1261 1 6 . 1 1 5 5 LEU C C 5 179.105 179.105 179.307 -0.202 25817 1262 1 6 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.906 -0.831 25817 1263 1 6 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.583 0.264 25817 1264 1 6 . 1 1 5 5 LEU H H 5 7.879 7.879 7.907 -0.028 25817 1265 1 6 . 1 1 6 6 GLU N N 6 120.818 120.818 119.321 1.497 25817 1266 1 6 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.001 -0.025 25817 1267 1 6 . 1 1 6 6 GLU C C 6 177.071 177.071 179.599 -2.528 25817 1268 1 6 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.599 -0.348 25817 1269 1 6 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.371 -0.943 25817 1270 1 6 . 1 1 6 6 GLU H H 6 8.349 8.349 8.125 0.224 25817 1271 1 6 . 1 1 7 7 LEU N N 7 118.820 118.820 120.643 -1.823 25817 1272 1 6 . 1 1 7 7 LEU HA H 7 4.094 4.094 4.036 0.058 25817 1273 1 6 . 1 1 7 7 LEU C C 7 179.724 179.724 179.016 0.708 25817 1274 1 6 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.155 -0.127 25817 1275 1 6 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.053 -0.147 25817 1276 1 6 . 1 1 7 7 LEU H H 7 8.219 8.219 7.896 0.324 25817 1277 1 6 . 1 1 8 8 ILE N N 8 120.124 120.124 119.958 0.166 25817 1278 1 6 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.615 0.106 25817 1279 1 6 . 1 1 8 8 ILE C C 8 176.524 176.524 178.115 -1.591 25817 1280 1 6 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.555 -0.454 25817 1281 1 6 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.600 0.454 25817 1282 1 6 . 1 1 8 8 ILE H H 8 8.336 8.336 8.122 0.214 25817 1283 1 6 . 1 1 9 9 THR N N 9 116.052 116.052 116.941 -0.889 25817 1284 1 6 . 1 1 9 9 THR HA H 9 4.204 4.204 4.022 0.182 25817 1285 1 6 . 1 1 9 9 THR C C 9 176.094 176.094 176.448 -0.354 25817 1286 1 6 . 1 1 9 9 THR CA C 9 67.399 67.399 66.834 0.565 25817 1287 1 6 . 1 1 9 9 THR H H 9 7.900 7.900 8.373 -0.473 25817 1288 1 6 . 1 1 10 10 LEU N N 10 119.799 119.799 121.724 -1.925 25817 1289 1 6 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.002 -0.027 25817 1290 1 6 . 1 1 10 10 LEU C C 10 177.752 177.752 178.720 -0.968 25817 1291 1 6 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.694 -0.417 25817 1292 1 6 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.583 0.797 25817 1293 1 6 . 1 1 10 10 LEU H H 10 8.045 8.045 7.985 0.060 25817 1294 1 6 . 1 1 11 11 THR N N 11 114.472 114.472 116.189 -1.717 25817 1295 1 6 . 1 1 11 11 THR HA H 11 4.200 4.200 4.018 0.182 25817 1296 1 6 . 1 1 11 11 THR C C 11 176.296 176.296 176.875 -0.579 25817 1297 1 6 . 1 1 11 11 THR CA C 11 68.061 68.061 67.134 0.927 25817 1298 1 6 . 1 1 11 11 THR H H 11 7.904 7.904 7.909 -0.005 25817 1299 1 6 . 1 1 12 12 VAL N N 12 120.338 120.338 121.081 -0.743 25817 1300 1 6 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.670 -0.108 25817 1301 1 6 . 1 1 12 12 VAL C C 12 177.759 177.759 178.129 -0.370 25817 1302 1 6 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.554 0.370 25817 1303 1 6 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.160 0.406 25817 1304 1 6 . 1 1 12 12 VAL H H 12 8.297 8.297 7.914 0.383 25817 1305 1 6 . 1 1 13 13 GLY N N 13 106.329 106.329 108.012 -1.683 25817 1306 1 6 . 1 1 13 13 GLY C C 13 174.383 174.383 175.925 -1.542 25817 1307 1 6 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.383 0.370 25817 1308 1 6 . 1 1 13 13 GLY H H 13 8.519 8.519 8.308 0.211 25817 1309 1 6 . 1 1 14 14 PHE N N 14 120.488 120.488 123.286 -2.798 25817 1310 1 6 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.277 -0.077 25817 1311 1 6 . 1 1 14 14 PHE C C 14 177.591 177.591 177.474 0.117 25817 1312 1 6 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.201 1.421 25817 1313 1 6 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.104 -0.188 25817 1314 1 6 . 1 1 14 14 PHE H H 14 8.641 8.641 8.552 0.089 25817 1315 1 6 . 1 1 15 15 GLY N N 15 106.569 106.569 108.022 -1.453 25817 1316 1 6 . 1 1 15 15 GLY C C 15 174.533 174.533 175.976 -1.443 25817 1317 1 6 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.376 0.256 25817 1318 1 6 . 1 1 15 15 GLY H H 15 8.573 8.573 8.515 0.058 25817 1319 1 6 . 1 1 16 16 ILE N N 16 120.720 120.720 122.800 -2.080 25817 1320 1 6 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.729 -0.104 25817 1321 1 6 . 1 1 16 16 ILE C C 16 178.658 178.658 177.550 1.108 25817 1322 1 6 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.842 0.588 25817 1323 1 6 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.985 -0.797 25817 1324 1 6 . 1 1 16 16 ILE H H 16 8.573 8.573 7.979 0.594 25817 1325 1 6 . 1 1 17 17 LEU N N 17 123.135 123.135 121.131 2.004 25817 1326 1 6 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.869 0.084 25817 1327 1 6 . 1 1 17 17 LEU C C 17 178.226 178.226 178.885 -0.659 25817 1328 1 6 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.339 0.578 25817 1329 1 6 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.803 -0.257 25817 1330 1 6 . 1 1 17 17 LEU H H 17 8.191 8.191 7.925 0.267 25817 1331 1 6 . 1 1 18 18 ILE N N 18 117.937 117.937 119.614 -1.677 25817 1332 1 6 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.433 0.130 25817 1333 1 6 . 1 1 18 18 ILE C C 18 177.812 177.812 177.753 0.059 25817 1334 1 6 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.641 -0.971 25817 1335 1 6 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.753 -1.241 25817 1336 1 6 . 1 1 18 18 ILE H H 18 8.455 8.455 7.552 0.903 25817 1337 1 6 . 1 1 19 19 PHE N N 19 119.250 119.250 118.800 0.450 25817 1338 1 6 . 1 1 19 19 PHE HA H 19 4.097 4.097 4.012 0.085 25817 1339 1 6 . 1 1 19 19 PHE C C 19 177.133 177.133 177.987 -0.854 25817 1340 1 6 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.122 -0.220 25817 1341 1 6 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.649 0.631 25817 1342 1 6 . 1 1 19 19 PHE H H 19 8.629 8.629 7.867 0.762 25817 1343 1 6 . 1 1 20 20 SER N N 20 114.851 114.851 115.204 -0.353 25817 1344 1 6 . 1 1 20 20 SER HA H 20 4.049 4.049 4.149 -0.100 25817 1345 1 6 . 1 1 20 20 SER C C 20 177.062 177.062 176.479 0.583 25817 1346 1 6 . 1 1 20 20 SER CA C 20 63.443 63.443 62.039 1.404 25817 1347 1 6 . 1 1 20 20 SER H H 20 8.588 8.588 8.684 -0.096 25817 1348 1 6 . 1 1 21 21 LEU N N 21 124.926 124.926 123.395 1.531 25817 1349 1 6 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.078 -0.056 25817 1350 1 6 . 1 1 21 21 LEU C C 21 178.183 178.183 178.342 -0.159 25817 1351 1 6 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.018 0.313 25817 1352 1 6 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.861 -0.090 25817 1353 1 6 . 1 1 21 21 LEU H H 21 8.194 8.194 7.815 0.379 25817 1354 1 6 . 1 1 22 22 ILE N N 22 119.416 119.416 118.822 0.594 25817 1355 1 6 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.623 -0.011 25817 1356 1 6 . 1 1 22 22 ILE C C 22 178.539 178.539 178.237 0.302 25817 1357 1 6 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.411 0.550 25817 1358 1 6 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.411 0.453 25817 1359 1 6 . 1 1 22 22 ILE H H 22 8.173 8.173 7.946 0.227 25817 1360 1 6 . 1 1 23 23 VAL N N 23 119.631 119.631 121.075 -1.444 25817 1361 1 6 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.706 -0.355 25817 1362 1 6 . 1 1 23 23 VAL C C 23 177.480 177.480 177.966 -0.486 25817 1363 1 6 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.586 1.218 25817 1364 1 6 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.230 0.141 25817 1365 1 6 . 1 1 23 23 VAL H H 23 8.517 8.517 7.778 0.739 25817 1366 1 6 . 1 1 24 24 THR N N 24 115.196 115.196 117.432 -2.236 25817 1367 1 6 . 1 1 24 24 THR HA H 24 4.212 4.212 3.966 0.246 25817 1368 1 6 . 1 1 24 24 THR C C 24 176.559 176.559 176.661 -0.102 25817 1369 1 6 . 1 1 24 24 THR CA C 24 68.061 68.061 67.111 0.950 25817 1370 1 6 . 1 1 24 24 THR H H 24 8.009 8.009 8.352 -0.343 25817 1371 1 6 . 1 1 25 25 TYR N N 25 121.989 121.989 123.226 -1.237 25817 1372 1 6 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.171 -0.136 25817 1373 1 6 . 1 1 25 25 TYR C C 25 177.742 177.742 177.305 0.437 25817 1374 1 6 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.294 0.194 25817 1375 1 6 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.105 0.661 25817 1376 1 6 . 1 1 25 25 TYR H H 25 8.447 8.447 8.543 -0.096 25817 1377 1 6 . 1 1 26 26 CYS N N 26 117.031 117.031 118.575 -1.544 25817 1378 1 6 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.761 0.168 25817 1379 1 6 . 1 1 26 26 CYS C C 26 176.855 176.855 176.910 -0.055 25817 1380 1 6 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.964 -0.587 25817 1381 1 6 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.474 -0.183 25817 1382 1 6 . 1 1 26 26 CYS H H 26 8.456 8.456 7.809 0.647 25817 1383 1 6 . 1 1 27 27 ILE N N 27 118.019 118.019 120.439 -2.420 25817 1384 1 6 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.462 0.263 25817 1385 1 6 . 1 1 27 27 ILE C C 27 177.543 177.543 177.872 -0.329 25817 1386 1 6 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.812 -1.157 25817 1387 1 6 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.616 0.075 25817 1388 1 6 . 1 1 27 27 ILE H H 27 8.460 8.460 7.827 0.633 25817 1389 1 6 . 1 1 28 28 ASN N N 28 117.725 117.725 118.387 -0.662 25817 1390 1 6 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.350 0.116 25817 1391 1 6 . 1 1 28 28 ASN C C 28 176.330 176.330 177.439 -1.109 25817 1392 1 6 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.313 -0.259 25817 1393 1 6 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.051 1.518 25817 1394 1 6 . 1 1 28 28 ASN H H 28 7.933 7.933 8.011 -0.078 25817 1395 1 6 . 1 1 29 29 ALA N N 29 120.930 120.930 123.591 -2.661 25817 1396 1 6 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.819 0.306 25817 1397 1 6 . 1 1 29 29 ALA C C 29 178.485 178.485 179.550 -1.065 25817 1398 1 6 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.100 -1.454 25817 1399 1 6 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.057 0.746 25817 1400 1 6 . 1 1 29 29 ALA H H 29 8.116 8.116 8.359 -0.243 25817 1401 1 6 . 1 1 30 30 LYS N N 30 116.477 116.477 118.185 -1.708 25817 1402 1 6 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.952 0.341 25817 1403 1 6 . 1 1 30 30 LYS C C 30 176.352 176.352 178.857 -2.505 25817 1404 1 6 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.212 -3.311 25817 1405 1 6 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.387 -0.241 25817 1406 1 6 . 1 1 30 30 LYS H H 30 7.710 7.710 7.828 -0.118 25817 1407 1 6 . 1 1 31 31 ALA N N 31 122.148 122.148 122.565 -0.417 25817 1408 1 6 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.121 0.112 25817 1409 1 6 . 1 1 31 31 ALA C C 31 177.308 177.308 179.763 -2.455 25817 1410 1 6 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.235 -1.893 25817 1411 1 6 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.195 1.273 25817 1412 1 6 . 1 1 31 31 ALA H H 31 7.881 7.881 8.254 -0.373 25817 1413 1 6 . 1 1 32 32 ASP N N 32 117.233 117.233 119.599 -2.366 25817 1414 1 6 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.445 0.083 25817 1415 1 6 . 1 1 32 32 ASP C C 32 176.069 176.069 178.802 -2.733 25817 1416 1 6 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.448 -2.675 25817 1417 1 6 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.157 0.063 25817 1418 1 6 . 1 1 32 32 ASP H H 32 8.251 8.251 8.552 -0.301 25817 1419 1 6 . 1 1 33 33 VAL N N 33 116.751 116.751 119.977 -3.226 25817 1420 1 6 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.734 0.368 25817 1421 1 6 . 1 1 33 33 VAL C C 33 175.474 175.474 178.243 -2.769 25817 1422 1 6 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.074 -3.456 25817 1423 1 6 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.615 1.192 25817 1424 1 6 . 1 1 33 33 VAL H H 33 7.647 7.647 7.636 0.011 25817 1425 1 6 . 1 1 34 34 LEU N N 34 121.923 121.923 120.145 1.778 25817 1426 1 6 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.768 0.496 25817 1427 1 6 . 1 1 34 34 LEU C C 34 176.502 176.502 177.408 -0.906 25817 1428 1 6 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.864 -2.561 25817 1429 1 6 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.195 0.470 25817 1430 1 6 . 1 1 34 34 LEU H H 34 7.876 7.876 7.780 0.096 25817 1431 1 6 . 1 1 35 35 PHE N N 35 118.600 118.600 115.929 2.671 25817 1432 1 6 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.629 -0.034 25817 1433 1 6 . 1 1 35 35 PHE C C 35 175.009 175.009 175.315 -0.306 25817 1434 1 6 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.734 1.224 25817 1435 1 6 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.549 -0.260 25817 1436 1 6 . 1 1 35 35 PHE H H 35 7.788 7.788 7.588 0.200 25817 1437 1 6 . 1 1 36 36 ILE N N 36 119.235 119.235 122.378 -3.143 25817 1438 1 6 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.801 0.305 25817 1439 1 6 . 1 1 36 36 ILE C C 36 174.800 174.800 175.700 -0.900 25817 1440 1 6 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.532 -0.716 25817 1441 1 6 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.136 3.823 25817 1442 1 6 . 1 1 36 36 ILE H H 36 7.489 7.489 8.014 -0.525 25817 1443 1 6 . 1 1 37 37 ALA N N 37 126.894 126.894 128.825 -1.931 25817 1444 1 6 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.715 -0.192 25817 1445 1 6 . 1 1 37 37 ALA CA C 37 50.662 50.662 49.606 1.056 25817 1446 1 6 . 1 1 37 37 ALA CB C 37 18.385 18.385 19.512 -1.127 25817 1447 1 6 . 1 1 37 37 ALA H H 37 7.923 7.923 8.619 -0.696 25817 1448 1 6 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.365 0.041 25817 1449 1 6 . 1 1 38 38 PRO C C 38 176.806 176.806 176.175 0.631 25817 1450 1 6 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.806 0.176 25817 1451 1 6 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.285 -0.436 25817 1452 1 6 . 1 1 39 39 ARG N N 39 119.994 119.994 120.132 -0.138 25817 1453 1 6 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.605 -0.305 25817 1454 1 6 . 1 1 39 39 ARG C C 39 175.960 175.960 176.166 -0.206 25817 1455 1 6 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.155 0.653 25817 1456 1 6 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.161 -0.153 25817 1457 1 6 . 1 1 39 39 ARG H H 39 8.088 8.088 8.178 -0.090 25817 1458 1 6 . 1 1 40 40 GLU N N 40 122.023 122.023 124.931 -2.908 25817 1459 1 6 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.246 0.346 25817 1460 1 6 . 1 1 40 40 GLU CA C 40 54.111 54.111 55.532 -1.421 25817 1461 1 6 . 1 1 40 40 GLU CB C 40 29.669 29.669 28.823 0.846 25817 1462 1 6 . 1 1 40 40 GLU H H 40 8.179 8.179 8.693 -0.514 25817 1463 1 6 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.286 0.109 25817 1464 1 6 . 1 1 41 41 PRO C C 41 177.650 177.650 178.499 -0.849 25817 1465 1 6 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.934 -0.213 25817 1466 1 6 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.046 -0.252 25817 1467 1 6 . 1 1 42 42 GLY N N 42 108.968 108.968 105.918 3.050 25817 1468 1 6 . 1 1 42 42 GLY C C 42 173.943 173.943 174.158 -0.215 25817 1469 1 6 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.373 -0.067 25817 1470 1 6 . 1 1 42 42 GLY H H 42 8.387 8.387 8.414 -0.027 25817 1471 1 6 . 1 1 43 43 ALA N N 43 123.557 123.557 120.288 3.269 25817 1472 1 6 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.060 0.260 25817 1473 1 6 . 1 1 43 43 ALA C C 43 177.613 177.613 177.931 -0.318 25817 1474 1 6 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.086 -0.550 25817 1475 1 6 . 1 1 43 43 ALA CB C 43 19.258 19.258 17.850 1.408 25817 1476 1 6 . 1 1 43 43 ALA H H 43 7.963 7.963 7.914 0.049 25817 1477 1 6 . 1 1 44 44 VAL N N 44 118.502 118.502 118.927 -0.425 25817 1478 1 6 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.869 0.236 25817 1479 1 6 . 1 1 44 44 VAL C C 44 175.735 175.735 177.760 -2.025 25817 1480 1 6 . 1 1 44 44 VAL CA C 44 62.019 62.019 65.455 -3.436 25817 1481 1 6 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.345 0.556 25817 1482 1 6 . 1 1 44 44 VAL H H 44 7.940 7.940 7.959 -0.019 25817 1483 1 6 . 1 1 45 45 SER N N 45 119.252 119.252 115.420 3.832 25817 1484 1 6 . 1 1 45 45 SER HA H 45 4.438 4.438 4.609 -0.171 25817 1485 1 6 . 1 1 45 45 SER C C 45 172.924 172.924 173.338 -0.414 25817 1486 1 6 . 1 1 45 45 SER CA C 45 57.844 57.844 58.942 -1.098 25817 1487 1 6 . 1 1 45 45 SER CB C 45 64.261 64.261 61.971 2.290 25817 1488 1 6 . 1 1 45 45 SER H H 45 8.082 8.082 8.503 -0.421 25817 1489 1 7 . 1 1 2 2 SER N N 2 114.638 114.638 117.892 -3.254 25817 1490 1 7 . 1 1 2 2 SER HA H 2 4.435 4.435 4.252 0.183 25817 1491 1 7 . 1 1 2 2 SER C C 2 174.655 174.655 176.227 -1.572 25817 1492 1 7 . 1 1 2 2 SER CA C 2 58.287 58.287 59.445 -1.158 25817 1493 1 7 . 1 1 2 2 SER CB C 2 64.193 64.193 63.062 1.131 25817 1494 1 7 . 1 1 2 2 SER H H 2 8.068 8.068 8.741 -0.673 25817 1495 1 7 . 1 1 3 3 LYS N N 3 122.754 122.754 121.126 1.628 25817 1496 1 7 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.058 0.148 25817 1497 1 7 . 1 1 3 3 LYS C C 3 177.164 177.164 178.949 -1.785 25817 1498 1 7 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.479 -1.426 25817 1499 1 7 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.363 -0.335 25817 1500 1 7 . 1 1 3 3 LYS H H 3 8.368 8.368 8.274 0.094 25817 1501 1 7 . 1 1 4 4 GLU N N 4 118.462 118.462 119.607 -1.145 25817 1502 1 7 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.007 0.031 25817 1503 1 7 . 1 1 4 4 GLU C C 4 177.164 177.164 178.939 -1.775 25817 1504 1 7 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.342 -0.057 25817 1505 1 7 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.435 -0.670 25817 1506 1 7 . 1 1 4 4 GLU H H 4 8.411 8.411 7.948 0.463 25817 1507 1 7 . 1 1 5 5 LEU N N 5 119.346 119.346 119.248 0.098 25817 1508 1 7 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.970 0.206 25817 1509 1 7 . 1 1 5 5 LEU C C 5 179.105 179.105 178.947 0.158 25817 1510 1 7 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.192 -1.117 25817 1511 1 7 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.630 0.215 25817 1512 1 7 . 1 1 5 5 LEU H H 5 7.879 7.879 8.129 -0.250 25817 1513 1 7 . 1 1 6 6 GLU N N 6 120.818 120.818 120.188 0.630 25817 1514 1 7 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.043 -0.067 25817 1515 1 7 . 1 1 6 6 GLU C C 6 177.071 177.071 179.095 -2.024 25817 1516 1 7 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.602 -0.351 25817 1517 1 7 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.609 -1.181 25817 1518 1 7 . 1 1 6 6 GLU H H 6 8.349 8.349 7.728 0.621 25817 1519 1 7 . 1 1 7 7 LEU N N 7 118.820 118.820 120.524 -1.704 25817 1520 1 7 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.934 0.160 25817 1521 1 7 . 1 1 7 7 LEU C C 7 179.724 179.724 179.287 0.437 25817 1522 1 7 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.224 -0.195 25817 1523 1 7 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.986 -0.080 25817 1524 1 7 . 1 1 7 7 LEU H H 7 8.219 8.219 8.208 0.011 25817 1525 1 7 . 1 1 8 8 ILE N N 8 120.124 120.124 119.175 0.949 25817 1526 1 7 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.585 0.136 25817 1527 1 7 . 1 1 8 8 ILE C C 8 176.524 176.524 177.994 -1.470 25817 1528 1 7 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.779 -0.678 25817 1529 1 7 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.706 0.348 25817 1530 1 7 . 1 1 8 8 ILE H H 8 8.336 8.336 8.049 0.287 25817 1531 1 7 . 1 1 9 9 THR N N 9 116.052 116.052 117.001 -0.949 25817 1532 1 7 . 1 1 9 9 THR HA H 9 4.204 4.204 3.921 0.283 25817 1533 1 7 . 1 1 9 9 THR C C 9 176.094 176.094 176.675 -0.581 25817 1534 1 7 . 1 1 9 9 THR CA C 9 67.399 67.399 67.006 0.393 25817 1535 1 7 . 1 1 9 9 THR H H 9 7.900 7.900 7.729 0.171 25817 1536 1 7 . 1 1 10 10 LEU N N 10 119.799 119.799 122.305 -2.506 25817 1537 1 7 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.056 -0.081 25817 1538 1 7 . 1 1 10 10 LEU C C 10 177.752 177.752 178.221 -0.469 25817 1539 1 7 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.518 -0.241 25817 1540 1 7 . 1 1 10 10 LEU CB C 10 42.380 42.380 42.062 0.318 25817 1541 1 7 . 1 1 10 10 LEU H H 10 8.045 8.045 8.301 -0.256 25817 1542 1 7 . 1 1 11 11 THR N N 11 114.472 114.472 116.370 -1.898 25817 1543 1 7 . 1 1 11 11 THR HA H 11 4.200 4.200 4.025 0.175 25817 1544 1 7 . 1 1 11 11 THR C C 11 176.296 176.296 176.871 -0.575 25817 1545 1 7 . 1 1 11 11 THR CA C 11 68.061 68.061 67.251 0.810 25817 1546 1 7 . 1 1 11 11 THR H H 11 7.904 7.904 8.081 -0.177 25817 1547 1 7 . 1 1 12 12 VAL N N 12 120.338 120.338 121.000 -0.662 25817 1548 1 7 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.768 -0.206 25817 1549 1 7 . 1 1 12 12 VAL C C 12 177.759 177.759 178.081 -0.322 25817 1550 1 7 . 1 1 12 12 VAL CA C 12 66.924 66.924 65.908 1.016 25817 1551 1 7 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.032 0.534 25817 1552 1 7 . 1 1 12 12 VAL H H 12 8.297 8.297 7.838 0.459 25817 1553 1 7 . 1 1 13 13 GLY N N 13 106.329 106.329 108.100 -1.771 25817 1554 1 7 . 1 1 13 13 GLY C C 13 174.383 174.383 175.923 -1.540 25817 1555 1 7 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.376 0.377 25817 1556 1 7 . 1 1 13 13 GLY H H 13 8.519 8.519 7.972 0.547 25817 1557 1 7 . 1 1 14 14 PHE N N 14 120.488 120.488 123.037 -2.549 25817 1558 1 7 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.254 -0.054 25817 1559 1 7 . 1 1 14 14 PHE C C 14 177.591 177.591 177.282 0.309 25817 1560 1 7 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.663 0.959 25817 1561 1 7 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.128 -0.212 25817 1562 1 7 . 1 1 14 14 PHE H H 14 8.641 8.641 8.395 0.246 25817 1563 1 7 . 1 1 15 15 GLY N N 15 106.569 106.569 107.879 -1.310 25817 1564 1 7 . 1 1 15 15 GLY C C 15 174.533 174.533 175.990 -1.457 25817 1565 1 7 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.319 0.313 25817 1566 1 7 . 1 1 15 15 GLY H H 15 8.573 8.573 8.222 0.351 25817 1567 1 7 . 1 1 16 16 ILE N N 16 120.720 120.720 122.871 -2.151 25817 1568 1 7 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.718 -0.093 25817 1569 1 7 . 1 1 16 16 ILE C C 16 178.658 178.658 177.491 1.167 25817 1570 1 7 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.869 0.561 25817 1571 1 7 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.994 -0.806 25817 1572 1 7 . 1 1 16 16 ILE H H 16 8.573 8.573 7.832 0.741 25817 1573 1 7 . 1 1 17 17 LEU N N 17 123.135 123.135 120.857 2.278 25817 1574 1 7 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.832 0.121 25817 1575 1 7 . 1 1 17 17 LEU C C 17 178.226 178.226 179.012 -0.786 25817 1576 1 7 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.312 0.605 25817 1577 1 7 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.716 -0.170 25817 1578 1 7 . 1 1 17 17 LEU H H 17 8.191 8.191 7.719 0.472 25817 1579 1 7 . 1 1 18 18 ILE N N 18 117.937 117.937 119.380 -1.443 25817 1580 1 7 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.411 0.152 25817 1581 1 7 . 1 1 18 18 ILE C C 18 177.812 177.812 177.664 0.148 25817 1582 1 7 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.458 -0.788 25817 1583 1 7 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.669 -1.157 25817 1584 1 7 . 1 1 18 18 ILE H H 18 8.455 8.455 7.460 0.995 25817 1585 1 7 . 1 1 19 19 PHE N N 19 119.250 119.250 119.678 -0.428 25817 1586 1 7 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.952 0.145 25817 1587 1 7 . 1 1 19 19 PHE C C 19 177.133 177.133 177.885 -0.752 25817 1588 1 7 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.230 -0.328 25817 1589 1 7 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.130 0.150 25817 1590 1 7 . 1 1 19 19 PHE H H 19 8.629 8.629 7.757 0.872 25817 1591 1 7 . 1 1 20 20 SER N N 20 114.851 114.851 114.931 -0.080 25817 1592 1 7 . 1 1 20 20 SER HA H 20 4.049 4.049 4.197 -0.148 25817 1593 1 7 . 1 1 20 20 SER C C 20 177.062 177.062 176.613 0.449 25817 1594 1 7 . 1 1 20 20 SER CA C 20 63.443 63.443 61.585 1.858 25817 1595 1 7 . 1 1 20 20 SER H H 20 8.588 8.588 8.713 -0.125 25817 1596 1 7 . 1 1 21 21 LEU N N 21 124.926 124.926 123.536 1.390 25817 1597 1 7 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.032 -0.010 25817 1598 1 7 . 1 1 21 21 LEU C C 21 178.183 178.183 178.360 -0.177 25817 1599 1 7 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.366 -0.035 25817 1600 1 7 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.099 -0.328 25817 1601 1 7 . 1 1 21 21 LEU H H 21 8.194 8.194 7.902 0.292 25817 1602 1 7 . 1 1 22 22 ILE N N 22 119.416 119.416 118.245 1.171 25817 1603 1 7 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.533 0.079 25817 1604 1 7 . 1 1 22 22 ILE C C 22 178.539 178.539 178.015 0.524 25817 1605 1 7 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.173 0.788 25817 1606 1 7 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.196 0.668 25817 1607 1 7 . 1 1 22 22 ILE H H 22 8.173 8.173 7.793 0.380 25817 1608 1 7 . 1 1 23 23 VAL N N 23 119.631 119.631 120.474 -0.843 25817 1609 1 7 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.671 -0.320 25817 1610 1 7 . 1 1 23 23 VAL C C 23 177.480 177.480 178.134 -0.654 25817 1611 1 7 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.084 0.720 25817 1612 1 7 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.199 0.172 25817 1613 1 7 . 1 1 23 23 VAL H H 23 8.517 8.517 7.767 0.750 25817 1614 1 7 . 1 1 24 24 THR N N 24 115.196 115.196 117.220 -2.024 25817 1615 1 7 . 1 1 24 24 THR HA H 24 4.212 4.212 3.960 0.252 25817 1616 1 7 . 1 1 24 24 THR C C 24 176.559 176.559 176.468 0.091 25817 1617 1 7 . 1 1 24 24 THR CA C 24 68.061 68.061 67.130 0.930 25817 1618 1 7 . 1 1 24 24 THR H H 24 8.009 8.009 8.414 -0.405 25817 1619 1 7 . 1 1 25 25 TYR N N 25 121.989 121.989 122.781 -0.792 25817 1620 1 7 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.138 -0.103 25817 1621 1 7 . 1 1 25 25 TYR C C 25 177.742 177.742 177.067 0.675 25817 1622 1 7 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.998 0.490 25817 1623 1 7 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.438 0.328 25817 1624 1 7 . 1 1 25 25 TYR H H 25 8.447 8.447 8.433 0.014 25817 1625 1 7 . 1 1 26 26 CYS N N 26 117.031 117.031 118.373 -1.342 25817 1626 1 7 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.997 -0.068 25817 1627 1 7 . 1 1 26 26 CYS C C 26 176.855 176.855 177.235 -0.380 25817 1628 1 7 . 1 1 26 26 CYS CA C 26 64.377 64.377 65.129 -0.752 25817 1629 1 7 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.514 -0.223 25817 1630 1 7 . 1 1 26 26 CYS H H 26 8.456 8.456 7.932 0.524 25817 1631 1 7 . 1 1 27 27 ILE N N 27 118.019 118.019 120.374 -2.355 25817 1632 1 7 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.515 0.210 25817 1633 1 7 . 1 1 27 27 ILE C C 27 177.543 177.543 177.827 -0.284 25817 1634 1 7 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.706 -1.051 25817 1635 1 7 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.747 -0.056 25817 1636 1 7 . 1 1 27 27 ILE H H 27 8.460 8.460 8.005 0.455 25817 1637 1 7 . 1 1 28 28 ASN N N 28 117.725 117.725 118.346 -0.621 25817 1638 1 7 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.416 0.050 25817 1639 1 7 . 1 1 28 28 ASN C C 28 176.330 176.330 177.352 -1.022 25817 1640 1 7 . 1 1 28 28 ASN CA C 28 56.054 56.054 55.959 0.095 25817 1641 1 7 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.796 1.773 25817 1642 1 7 . 1 1 28 28 ASN H H 28 7.933 7.933 7.815 0.118 25817 1643 1 7 . 1 1 29 29 ALA N N 29 120.930 120.930 122.467 -1.537 25817 1644 1 7 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.925 0.200 25817 1645 1 7 . 1 1 29 29 ALA C C 29 178.485 178.485 178.528 -0.043 25817 1646 1 7 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.456 -0.810 25817 1647 1 7 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.353 0.450 25817 1648 1 7 . 1 1 29 29 ALA H H 29 8.116 8.116 7.972 0.144 25817 1649 1 7 . 1 1 30 30 LYS N N 30 116.477 116.477 116.893 -0.416 25817 1650 1 7 . 1 1 30 30 LYS HA H 30 4.293 4.293 4.066 0.227 25817 1651 1 7 . 1 1 30 30 LYS C C 30 176.352 176.352 179.024 -2.672 25817 1652 1 7 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.896 -2.995 25817 1653 1 7 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.718 -0.572 25817 1654 1 7 . 1 1 30 30 LYS H H 30 7.710 7.710 7.598 0.112 25817 1655 1 7 . 1 1 31 31 ALA N N 31 122.148 122.148 122.903 -0.755 25817 1656 1 7 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.142 0.091 25817 1657 1 7 . 1 1 31 31 ALA C C 31 177.308 177.308 179.921 -2.613 25817 1658 1 7 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.954 -1.612 25817 1659 1 7 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.020 1.448 25817 1660 1 7 . 1 1 31 31 ALA H H 31 7.881 7.881 7.912 -0.031 25817 1661 1 7 . 1 1 32 32 ASP N N 32 117.233 117.233 118.676 -1.443 25817 1662 1 7 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.441 0.086 25817 1663 1 7 . 1 1 32 32 ASP C C 32 176.069 176.069 177.376 -1.307 25817 1664 1 7 . 1 1 32 32 ASP CA C 32 54.773 54.773 56.839 -2.066 25817 1665 1 7 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.356 -0.136 25817 1666 1 7 . 1 1 32 32 ASP H H 32 8.251 8.251 7.997 0.254 25817 1667 1 7 . 1 1 33 33 VAL N N 33 116.751 116.751 117.253 -0.502 25817 1668 1 7 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.994 0.108 25817 1669 1 7 . 1 1 33 33 VAL C C 33 175.474 175.474 176.090 -0.616 25817 1670 1 7 . 1 1 33 33 VAL CA C 33 62.618 62.618 63.434 -0.816 25817 1671 1 7 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.884 0.923 25817 1672 1 7 . 1 1 33 33 VAL H H 33 7.647 7.647 7.946 -0.299 25817 1673 1 7 . 1 1 34 34 LEU N N 34 121.923 121.923 120.043 1.880 25817 1674 1 7 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.103 0.161 25817 1675 1 7 . 1 1 34 34 LEU C C 34 176.502 176.502 176.068 0.434 25817 1676 1 7 . 1 1 34 34 LEU CA C 34 55.303 55.303 56.610 -1.307 25817 1677 1 7 . 1 1 34 34 LEU CB C 34 42.665 42.665 43.169 -0.504 25817 1678 1 7 . 1 1 34 34 LEU H H 34 7.876 7.876 7.979 -0.103 25817 1679 1 7 . 1 1 35 35 PHE N N 35 118.600 118.600 116.846 1.754 25817 1680 1 7 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.724 -0.129 25817 1681 1 7 . 1 1 35 35 PHE C C 35 175.009 175.009 175.624 -0.615 25817 1682 1 7 . 1 1 35 35 PHE CA C 35 57.958 57.958 57.298 0.660 25817 1683 1 7 . 1 1 35 35 PHE CB C 35 39.289 39.289 40.633 -1.345 25817 1684 1 7 . 1 1 35 35 PHE H H 35 7.788 7.788 7.704 0.084 25817 1685 1 7 . 1 1 36 36 ILE N N 36 119.235 119.235 119.387 -0.152 25817 1686 1 7 . 1 1 36 36 ILE HA H 36 4.106 4.106 4.168 -0.062 25817 1687 1 7 . 1 1 36 36 ILE C C 36 174.800 174.800 175.881 -1.081 25817 1688 1 7 . 1 1 36 36 ILE CA C 36 60.816 60.816 60.611 0.205 25817 1689 1 7 . 1 1 36 36 ILE CB C 36 38.959 38.959 37.166 1.793 25817 1690 1 7 . 1 1 36 36 ILE H H 36 7.489 7.489 8.432 -0.943 25817 1691 1 7 . 1 1 37 37 ALA N N 37 126.894 126.894 123.873 3.021 25817 1692 1 7 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.198 0.325 25817 1693 1 7 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.163 -0.501 25817 1694 1 7 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.271 0.114 25817 1695 1 7 . 1 1 37 37 ALA H H 37 7.923 7.923 7.711 0.212 25817 1696 1 7 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.193 0.213 25817 1697 1 7 . 1 1 38 38 PRO C C 38 176.806 176.806 176.504 0.302 25817 1698 1 7 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.700 -0.718 25817 1699 1 7 . 1 1 38 38 PRO CB C 38 31.849 31.849 31.801 0.048 25817 1700 1 7 . 1 1 39 39 ARG N N 39 119.994 119.994 123.430 -3.436 25817 1701 1 7 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.258 0.042 25817 1702 1 7 . 1 1 39 39 ARG C C 39 175.960 175.960 175.955 0.005 25817 1703 1 7 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.679 -0.871 25817 1704 1 7 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.207 -0.199 25817 1705 1 7 . 1 1 39 39 ARG H H 39 8.088 8.088 8.397 -0.309 25817 1706 1 7 . 1 1 40 40 GLU N N 40 122.023 122.023 121.458 0.565 25817 1707 1 7 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.623 -0.031 25817 1708 1 7 . 1 1 40 40 GLU CA C 40 54.111 54.111 54.091 0.020 25817 1709 1 7 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.616 0.052 25817 1710 1 7 . 1 1 40 40 GLU H H 40 8.179 8.179 8.431 -0.252 25817 1711 1 7 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.217 0.178 25817 1712 1 7 . 1 1 41 41 PRO C C 41 177.650 177.650 177.232 0.418 25817 1713 1 7 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.178 -0.457 25817 1714 1 7 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.896 -0.102 25817 1715 1 7 . 1 1 42 42 GLY N N 42 108.968 108.968 105.355 3.613 25817 1716 1 7 . 1 1 42 42 GLY C C 42 173.943 173.943 173.818 0.125 25817 1717 1 7 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.471 0.835 25817 1718 1 7 . 1 1 42 42 GLY H H 42 8.387 8.387 7.974 0.413 25817 1719 1 7 . 1 1 43 43 ALA N N 43 123.557 123.557 121.917 1.640 25817 1720 1 7 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.635 -0.315 25817 1721 1 7 . 1 1 43 43 ALA C C 43 177.613 177.613 177.252 0.361 25817 1722 1 7 . 1 1 43 43 ALA CA C 43 52.536 52.536 51.477 1.059 25817 1723 1 7 . 1 1 43 43 ALA CB C 43 19.258 19.258 20.154 -0.896 25817 1724 1 7 . 1 1 43 43 ALA H H 43 7.963 7.963 7.636 0.327 25817 1725 1 7 . 1 1 44 44 VAL N N 44 118.502 118.502 123.023 -4.521 25817 1726 1 7 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.685 0.420 25817 1727 1 7 . 1 1 44 44 VAL C C 44 175.735 175.735 176.732 -0.997 25817 1728 1 7 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.124 -2.105 25817 1729 1 7 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.061 0.840 25817 1730 1 7 . 1 1 44 44 VAL H H 44 7.940 7.940 8.276 -0.336 25817 1731 1 7 . 1 1 45 45 SER N N 45 119.252 119.252 115.111 4.141 25817 1732 1 7 . 1 1 45 45 SER HA H 45 4.438 4.438 4.051 0.387 25817 1733 1 7 . 1 1 45 45 SER C C 45 172.924 172.924 173.194 -0.270 25817 1734 1 7 . 1 1 45 45 SER CA C 45 57.844 57.844 57.405 0.439 25817 1735 1 7 . 1 1 45 45 SER CB C 45 64.261 64.261 63.659 0.602 25817 1736 1 7 . 1 1 45 45 SER H H 45 8.082 8.082 7.700 0.382 25817 1737 1 8 . 1 1 2 2 SER N N 2 114.638 114.638 115.196 -0.558 25817 1738 1 8 . 1 1 2 2 SER HA H 2 4.435 4.435 4.297 0.138 25817 1739 1 8 . 1 1 2 2 SER C C 2 174.655 174.655 176.110 -1.455 25817 1740 1 8 . 1 1 2 2 SER CA C 2 58.287 58.287 59.598 -1.311 25817 1741 1 8 . 1 1 2 2 SER CB C 2 64.193 64.193 63.086 1.107 25817 1742 1 8 . 1 1 2 2 SER H H 2 8.068 8.068 8.432 -0.364 25817 1743 1 8 . 1 1 3 3 LYS N N 3 122.754 122.754 121.758 0.996 25817 1744 1 8 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.026 0.180 25817 1745 1 8 . 1 1 3 3 LYS C C 3 177.164 177.164 178.399 -1.235 25817 1746 1 8 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.004 -0.951 25817 1747 1 8 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.281 -0.253 25817 1748 1 8 . 1 1 3 3 LYS H H 3 8.368 8.368 8.308 0.060 25817 1749 1 8 . 1 1 4 4 GLU N N 4 118.462 118.462 119.569 -1.107 25817 1750 1 8 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.032 0.006 25817 1751 1 8 . 1 1 4 4 GLU C C 4 177.164 177.164 178.827 -1.663 25817 1752 1 8 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.514 -0.229 25817 1753 1 8 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.345 -0.580 25817 1754 1 8 . 1 1 4 4 GLU H H 4 8.411 8.411 7.786 0.625 25817 1755 1 8 . 1 1 5 5 LEU N N 5 119.346 119.346 119.779 -0.433 25817 1756 1 8 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.970 0.206 25817 1757 1 8 . 1 1 5 5 LEU C C 5 179.105 179.105 178.816 0.289 25817 1758 1 8 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.901 -0.827 25817 1759 1 8 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.806 0.040 25817 1760 1 8 . 1 1 5 5 LEU H H 5 7.879 7.879 8.140 -0.261 25817 1761 1 8 . 1 1 6 6 GLU N N 6 120.818 120.818 120.356 0.462 25817 1762 1 8 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.902 0.074 25817 1763 1 8 . 1 1 6 6 GLU C C 6 177.071 177.071 178.915 -1.844 25817 1764 1 8 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.852 -0.601 25817 1765 1 8 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.827 -1.399 25817 1766 1 8 . 1 1 6 6 GLU H H 6 8.349 8.349 7.817 0.532 25817 1767 1 8 . 1 1 7 7 LEU N N 7 118.820 118.820 119.978 -1.158 25817 1768 1 8 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.969 0.125 25817 1769 1 8 . 1 1 7 7 LEU C C 7 179.724 179.724 179.294 0.430 25817 1770 1 8 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.136 -0.108 25817 1771 1 8 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.792 0.113 25817 1772 1 8 . 1 1 7 7 LEU H H 7 8.219 8.219 7.999 0.220 25817 1773 1 8 . 1 1 8 8 ILE N N 8 120.124 120.124 119.753 0.371 25817 1774 1 8 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.638 0.083 25817 1775 1 8 . 1 1 8 8 ILE C C 8 176.524 176.524 178.473 -1.949 25817 1776 1 8 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.195 -0.094 25817 1777 1 8 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.734 1.320 25817 1778 1 8 . 1 1 8 8 ILE H H 8 8.336 8.336 7.782 0.554 25817 1779 1 8 . 1 1 9 9 THR N N 9 116.052 116.052 116.929 -0.877 25817 1780 1 8 . 1 1 9 9 THR HA H 9 4.204 4.204 4.007 0.197 25817 1781 1 8 . 1 1 9 9 THR C C 9 176.094 176.094 177.055 -0.961 25817 1782 1 8 . 1 1 9 9 THR CA C 9 67.399 67.399 67.285 0.114 25817 1783 1 8 . 1 1 9 9 THR H H 9 7.900 7.900 8.147 -0.247 25817 1784 1 8 . 1 1 10 10 LEU N N 10 119.799 119.799 122.302 -2.503 25817 1785 1 8 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.932 0.043 25817 1786 1 8 . 1 1 10 10 LEU C C 10 177.752 177.752 178.776 -1.024 25817 1787 1 8 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.603 -0.326 25817 1788 1 8 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.856 0.524 25817 1789 1 8 . 1 1 10 10 LEU H H 10 8.045 8.045 8.421 -0.376 25817 1790 1 8 . 1 1 11 11 THR N N 11 114.472 114.472 116.294 -1.822 25817 1791 1 8 . 1 1 11 11 THR HA H 11 4.200 4.200 3.956 0.244 25817 1792 1 8 . 1 1 11 11 THR C C 11 176.296 176.296 176.796 -0.500 25817 1793 1 8 . 1 1 11 11 THR CA C 11 68.061 68.061 67.191 0.870 25817 1794 1 8 . 1 1 11 11 THR H H 11 7.904 7.904 8.349 -0.445 25817 1795 1 8 . 1 1 12 12 VAL N N 12 120.338 120.338 121.360 -1.022 25817 1796 1 8 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.678 -0.116 25817 1797 1 8 . 1 1 12 12 VAL C C 12 177.759 177.759 178.152 -0.393 25817 1798 1 8 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.338 0.586 25817 1799 1 8 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.111 0.455 25817 1800 1 8 . 1 1 12 12 VAL H H 12 8.297 8.297 7.977 0.320 25817 1801 1 8 . 1 1 13 13 GLY N N 13 106.329 106.329 107.789 -1.460 25817 1802 1 8 . 1 1 13 13 GLY C C 13 174.383 174.383 175.804 -1.421 25817 1803 1 8 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.334 0.419 25817 1804 1 8 . 1 1 13 13 GLY H H 13 8.519 8.519 8.339 0.180 25817 1805 1 8 . 1 1 14 14 PHE N N 14 120.488 120.488 123.493 -3.005 25817 1806 1 8 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.163 0.037 25817 1807 1 8 . 1 1 14 14 PHE C C 14 177.591 177.591 177.456 0.135 25817 1808 1 8 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.857 0.765 25817 1809 1 8 . 1 1 14 14 PHE CB C 14 38.916 38.916 38.986 -0.070 25817 1810 1 8 . 1 1 14 14 PHE H H 14 8.641 8.641 8.403 0.238 25817 1811 1 8 . 1 1 15 15 GLY N N 15 106.569 106.569 107.562 -0.993 25817 1812 1 8 . 1 1 15 15 GLY C C 15 174.533 174.533 176.012 -1.479 25817 1813 1 8 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.341 0.291 25817 1814 1 8 . 1 1 15 15 GLY H H 15 8.573 8.573 8.273 0.300 25817 1815 1 8 . 1 1 16 16 ILE N N 16 120.720 120.720 123.095 -2.375 25817 1816 1 8 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.688 -0.062 25817 1817 1 8 . 1 1 16 16 ILE C C 16 178.658 178.658 177.684 0.974 25817 1818 1 8 . 1 1 16 16 ILE CA C 16 65.430 65.430 65.071 0.359 25817 1819 1 8 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.021 -0.833 25817 1820 1 8 . 1 1 16 16 ILE H H 16 8.573 8.573 8.005 0.568 25817 1821 1 8 . 1 1 17 17 LEU N N 17 123.135 123.135 120.580 2.555 25817 1822 1 8 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.929 0.024 25817 1823 1 8 . 1 1 17 17 LEU C C 17 178.226 178.226 179.002 -0.776 25817 1824 1 8 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.661 0.256 25817 1825 1 8 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.497 0.049 25817 1826 1 8 . 1 1 17 17 LEU H H 17 8.191 8.191 8.220 -0.029 25817 1827 1 8 . 1 1 18 18 ILE N N 18 117.937 117.937 119.534 -1.597 25817 1828 1 8 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.430 0.133 25817 1829 1 8 . 1 1 18 18 ILE C C 18 177.812 177.812 177.672 0.140 25817 1830 1 8 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.727 -1.057 25817 1831 1 8 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.668 -1.156 25817 1832 1 8 . 1 1 18 18 ILE H H 18 8.455 8.455 7.539 0.916 25817 1833 1 8 . 1 1 19 19 PHE N N 19 119.250 119.250 119.537 -0.287 25817 1834 1 8 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.954 0.143 25817 1835 1 8 . 1 1 19 19 PHE C C 19 177.133 177.133 177.864 -0.731 25817 1836 1 8 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.399 -0.497 25817 1837 1 8 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.001 0.279 25817 1838 1 8 . 1 1 19 19 PHE H H 19 8.629 8.629 8.200 0.429 25817 1839 1 8 . 1 1 20 20 SER N N 20 114.851 114.851 115.093 -0.242 25817 1840 1 8 . 1 1 20 20 SER HA H 20 4.049 4.049 4.159 -0.110 25817 1841 1 8 . 1 1 20 20 SER C C 20 177.062 177.062 176.558 0.504 25817 1842 1 8 . 1 1 20 20 SER CA C 20 63.443 63.443 61.944 1.498 25817 1843 1 8 . 1 1 20 20 SER H H 20 8.588 8.588 8.712 -0.124 25817 1844 1 8 . 1 1 21 21 LEU N N 21 124.926 124.926 123.199 1.727 25817 1845 1 8 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.062 -0.040 25817 1846 1 8 . 1 1 21 21 LEU C C 21 178.183 178.183 178.203 -0.020 25817 1847 1 8 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.178 0.153 25817 1848 1 8 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.069 -0.298 25817 1849 1 8 . 1 1 21 21 LEU H H 21 8.194 8.194 7.566 0.628 25817 1850 1 8 . 1 1 22 22 ILE N N 22 119.416 119.416 118.880 0.536 25817 1851 1 8 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.615 -0.003 25817 1852 1 8 . 1 1 22 22 ILE C C 22 178.539 178.539 178.226 0.313 25817 1853 1 8 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.466 0.495 25817 1854 1 8 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.324 0.540 25817 1855 1 8 . 1 1 22 22 ILE H H 22 8.173 8.173 8.121 0.052 25817 1856 1 8 . 1 1 23 23 VAL N N 23 119.631 119.631 120.533 -0.902 25817 1857 1 8 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.680 -0.329 25817 1858 1 8 . 1 1 23 23 VAL C C 23 177.480 177.480 178.065 -0.585 25817 1859 1 8 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.765 1.039 25817 1860 1 8 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.145 0.226 25817 1861 1 8 . 1 1 23 23 VAL H H 23 8.517 8.517 7.708 0.809 25817 1862 1 8 . 1 1 24 24 THR N N 24 115.196 115.196 116.819 -1.623 25817 1863 1 8 . 1 1 24 24 THR HA H 24 4.212 4.212 4.027 0.185 25817 1864 1 8 . 1 1 24 24 THR C C 24 176.559 176.559 176.506 0.053 25817 1865 1 8 . 1 1 24 24 THR CA C 24 68.061 68.061 67.206 0.855 25817 1866 1 8 . 1 1 24 24 THR H H 24 8.009 8.009 8.002 0.007 25817 1867 1 8 . 1 1 25 25 TYR N N 25 121.989 121.989 123.619 -1.630 25817 1868 1 8 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.150 -0.115 25817 1869 1 8 . 1 1 25 25 TYR C C 25 177.742 177.742 177.209 0.533 25817 1870 1 8 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.956 0.532 25817 1871 1 8 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.150 0.616 25817 1872 1 8 . 1 1 25 25 TYR H H 25 8.447 8.447 8.617 -0.170 25817 1873 1 8 . 1 1 26 26 CYS N N 26 117.031 117.031 118.231 -1.200 25817 1874 1 8 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.708 0.221 25817 1875 1 8 . 1 1 26 26 CYS C C 26 176.855 176.855 177.157 -0.302 25817 1876 1 8 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.155 1.222 25817 1877 1 8 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.446 0.845 25817 1878 1 8 . 1 1 26 26 CYS H H 26 8.456 8.456 7.779 0.677 25817 1879 1 8 . 1 1 27 27 ILE N N 27 118.019 118.019 120.606 -2.587 25817 1880 1 8 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.507 0.218 25817 1881 1 8 . 1 1 27 27 ILE C C 27 177.543 177.543 178.076 -0.533 25817 1882 1 8 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.182 -0.527 25817 1883 1 8 . 1 1 27 27 ILE CB C 27 37.691 37.691 36.912 0.779 25817 1884 1 8 . 1 1 27 27 ILE H H 27 8.460 8.460 7.959 0.501 25817 1885 1 8 . 1 1 28 28 ASN N N 28 117.725 117.725 118.612 -0.887 25817 1886 1 8 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.346 0.120 25817 1887 1 8 . 1 1 28 28 ASN C C 28 176.330 176.330 177.653 -1.323 25817 1888 1 8 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.538 -0.484 25817 1889 1 8 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.772 1.797 25817 1890 1 8 . 1 1 28 28 ASN H H 28 7.933 7.933 8.114 -0.181 25817 1891 1 8 . 1 1 29 29 ALA N N 29 120.930 120.930 122.853 -1.923 25817 1892 1 8 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.975 0.150 25817 1893 1 8 . 1 1 29 29 ALA C C 29 178.485 178.485 179.617 -1.132 25817 1894 1 8 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.075 -1.429 25817 1895 1 8 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.073 0.730 25817 1896 1 8 . 1 1 29 29 ALA H H 29 8.116 8.116 7.936 0.180 25817 1897 1 8 . 1 1 30 30 LYS N N 30 116.477 116.477 117.824 -1.347 25817 1898 1 8 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.990 0.303 25817 1899 1 8 . 1 1 30 30 LYS C C 30 176.352 176.352 178.153 -1.801 25817 1900 1 8 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.838 -2.937 25817 1901 1 8 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.250 -0.104 25817 1902 1 8 . 1 1 30 30 LYS H H 30 7.710 7.710 8.088 -0.378 25817 1903 1 8 . 1 1 31 31 ALA N N 31 122.148 122.148 120.583 1.565 25817 1904 1 8 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.370 -0.137 25817 1905 1 8 . 1 1 31 31 ALA C C 31 177.308 177.308 179.933 -2.625 25817 1906 1 8 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.262 -0.920 25817 1907 1 8 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.329 0.139 25817 1908 1 8 . 1 1 31 31 ALA H H 31 7.881 7.881 7.988 -0.107 25817 1909 1 8 . 1 1 32 32 ASP N N 32 117.233 117.233 120.991 -3.758 25817 1910 1 8 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.561 -0.033 25817 1911 1 8 . 1 1 32 32 ASP C C 32 176.069 176.069 178.823 -2.754 25817 1912 1 8 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.535 -2.762 25817 1913 1 8 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.340 -0.120 25817 1914 1 8 . 1 1 32 32 ASP H H 32 8.251 8.251 8.439 -0.188 25817 1915 1 8 . 1 1 33 33 VAL N N 33 116.751 116.751 119.353 -2.602 25817 1916 1 8 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.848 0.254 25817 1917 1 8 . 1 1 33 33 VAL C C 33 175.474 175.474 176.902 -1.428 25817 1918 1 8 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.165 -2.547 25817 1919 1 8 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.649 1.158 25817 1920 1 8 . 1 1 33 33 VAL H H 33 7.647 7.647 7.734 -0.087 25817 1921 1 8 . 1 1 34 34 LEU N N 34 121.923 121.923 118.333 3.590 25817 1922 1 8 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.234 0.030 25817 1923 1 8 . 1 1 34 34 LEU C C 34 176.502 176.502 176.144 0.358 25817 1924 1 8 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.020 0.283 25817 1925 1 8 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.637 1.028 25817 1926 1 8 . 1 1 34 34 LEU H H 34 7.876 7.876 7.543 0.333 25817 1927 1 8 . 1 1 35 35 PHE N N 35 118.600 118.600 119.794 -1.194 25817 1928 1 8 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.628 -0.033 25817 1929 1 8 . 1 1 35 35 PHE C C 35 175.009 175.009 174.986 0.023 25817 1930 1 8 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.892 1.065 25817 1931 1 8 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.632 -0.343 25817 1932 1 8 . 1 1 35 35 PHE H H 35 7.788 7.788 7.805 -0.017 25817 1933 1 8 . 1 1 36 36 ILE N N 36 119.235 119.235 119.657 -0.422 25817 1934 1 8 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.752 0.354 25817 1935 1 8 . 1 1 36 36 ILE C C 36 174.800 174.800 175.574 -0.774 25817 1936 1 8 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.262 -0.446 25817 1937 1 8 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.412 3.547 25817 1938 1 8 . 1 1 36 36 ILE H H 36 7.489 7.489 8.423 -0.934 25817 1939 1 8 . 1 1 37 37 ALA N N 37 126.894 126.894 125.039 1.855 25817 1940 1 8 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.258 0.265 25817 1941 1 8 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.688 -1.026 25817 1942 1 8 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.970 -0.585 25817 1943 1 8 . 1 1 37 37 ALA H H 37 7.923 7.923 8.037 -0.114 25817 1944 1 8 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.446 -0.040 25817 1945 1 8 . 1 1 38 38 PRO C C 38 176.806 176.806 175.892 0.914 25817 1946 1 8 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.053 -0.071 25817 1947 1 8 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.119 -0.270 25817 1948 1 8 . 1 1 39 39 ARG N N 39 119.994 119.994 122.093 -2.099 25817 1949 1 8 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.662 -0.362 25817 1950 1 8 . 1 1 39 39 ARG C C 39 175.960 175.960 174.996 0.964 25817 1951 1 8 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.590 0.218 25817 1952 1 8 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.735 -0.727 25817 1953 1 8 . 1 1 39 39 ARG H H 39 8.088 8.088 8.448 -0.360 25817 1954 1 8 . 1 1 40 40 GLU N N 40 122.023 122.023 122.568 -0.545 25817 1955 1 8 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.792 -0.200 25817 1956 1 8 . 1 1 40 40 GLU CA C 40 54.111 54.111 52.419 1.692 25817 1957 1 8 . 1 1 40 40 GLU CB C 40 29.669 29.669 28.642 1.027 25817 1958 1 8 . 1 1 40 40 GLU H H 40 8.179 8.179 8.485 -0.306 25817 1959 1 8 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.092 0.303 25817 1960 1 8 . 1 1 41 41 PRO C C 41 177.650 177.650 177.038 0.612 25817 1961 1 8 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.262 -0.541 25817 1962 1 8 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.757 0.037 25817 1963 1 8 . 1 1 42 42 GLY N N 42 108.968 108.968 112.277 -3.309 25817 1964 1 8 . 1 1 42 42 GLY C C 42 173.943 173.943 175.760 -1.817 25817 1965 1 8 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.918 0.389 25817 1966 1 8 . 1 1 42 42 GLY H H 42 8.387 8.387 8.297 0.090 25817 1967 1 8 . 1 1 43 43 ALA N N 43 123.557 123.557 124.597 -1.040 25817 1968 1 8 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.092 0.228 25817 1969 1 8 . 1 1 43 43 ALA C C 43 177.613 177.613 178.876 -1.263 25817 1970 1 8 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.831 -1.295 25817 1971 1 8 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.703 0.555 25817 1972 1 8 . 1 1 43 43 ALA H H 43 7.963 7.963 7.834 0.129 25817 1973 1 8 . 1 1 44 44 VAL N N 44 118.502 118.502 116.692 1.810 25817 1974 1 8 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.750 0.355 25817 1975 1 8 . 1 1 44 44 VAL C C 44 175.735 175.735 176.741 -1.006 25817 1976 1 8 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.231 -2.212 25817 1977 1 8 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.816 1.085 25817 1978 1 8 . 1 1 44 44 VAL H H 44 7.940 7.940 7.920 0.020 25817 1979 1 8 . 1 1 45 45 SER N N 45 119.252 119.252 115.129 4.123 25817 1980 1 8 . 1 1 45 45 SER HA H 45 4.438 4.438 4.357 0.081 25817 1981 1 8 . 1 1 45 45 SER C C 45 172.924 172.924 173.448 -0.524 25817 1982 1 8 . 1 1 45 45 SER CA C 45 57.844 57.844 57.596 0.248 25817 1983 1 8 . 1 1 45 45 SER CB C 45 64.261 64.261 65.292 -1.031 25817 1984 1 8 . 1 1 45 45 SER H H 45 8.082 8.082 7.728 0.354 25817 1985 1 9 . 1 1 2 2 SER N N 2 114.638 114.638 116.301 -1.663 25817 1986 1 9 . 1 1 2 2 SER HA H 2 4.435 4.435 4.228 0.207 25817 1987 1 9 . 1 1 2 2 SER C C 2 174.655 174.655 176.316 -1.661 25817 1988 1 9 . 1 1 2 2 SER CA C 2 58.287 58.287 60.929 -2.642 25817 1989 1 9 . 1 1 2 2 SER CB C 2 64.193 64.193 62.532 1.661 25817 1990 1 9 . 1 1 2 2 SER H H 2 8.068 8.068 8.509 -0.441 25817 1991 1 9 . 1 1 3 3 LYS N N 3 122.754 122.754 120.475 2.279 25817 1992 1 9 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.128 0.078 25817 1993 1 9 . 1 1 3 3 LYS C C 3 177.164 177.164 178.678 -1.514 25817 1994 1 9 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.722 -1.669 25817 1995 1 9 . 1 1 3 3 LYS CB C 3 32.028 32.028 31.940 0.088 25817 1996 1 9 . 1 1 3 3 LYS H H 3 8.368 8.368 8.421 -0.053 25817 1997 1 9 . 1 1 4 4 GLU N N 4 118.462 118.462 119.336 -0.874 25817 1998 1 9 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.087 -0.049 25817 1999 1 9 . 1 1 4 4 GLU C C 4 177.164 177.164 179.156 -1.992 25817 2000 1 9 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.412 -0.127 25817 2001 1 9 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.211 -0.446 25817 2002 1 9 . 1 1 4 4 GLU H H 4 8.411 8.411 8.300 0.111 25817 2003 1 9 . 1 1 5 5 LEU N N 5 119.346 119.346 120.185 -0.839 25817 2004 1 9 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.037 0.139 25817 2005 1 9 . 1 1 5 5 LEU C C 5 179.105 179.105 178.786 0.319 25817 2006 1 9 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.072 -0.997 25817 2007 1 9 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.977 -0.131 25817 2008 1 9 . 1 1 5 5 LEU H H 5 7.879 7.879 8.215 -0.336 25817 2009 1 9 . 1 1 6 6 GLU N N 6 120.818 120.818 120.631 0.187 25817 2010 1 9 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.003 -0.027 25817 2011 1 9 . 1 1 6 6 GLU C C 6 177.071 177.071 179.352 -2.281 25817 2012 1 9 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.880 -0.629 25817 2013 1 9 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.759 -1.331 25817 2014 1 9 . 1 1 6 6 GLU H H 6 8.349 8.349 7.953 0.396 25817 2015 1 9 . 1 1 7 7 LEU N N 7 118.820 118.820 120.402 -1.582 25817 2016 1 9 . 1 1 7 7 LEU HA H 7 4.094 4.094 4.010 0.084 25817 2017 1 9 . 1 1 7 7 LEU C C 7 179.724 179.724 179.100 0.624 25817 2018 1 9 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.193 -0.165 25817 2019 1 9 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.030 -0.124 25817 2020 1 9 . 1 1 7 7 LEU H H 7 8.219 8.219 8.279 -0.060 25817 2021 1 9 . 1 1 8 8 ILE N N 8 120.124 120.124 120.216 -0.092 25817 2022 1 9 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.626 0.095 25817 2023 1 9 . 1 1 8 8 ILE C C 8 176.524 176.524 178.275 -1.751 25817 2024 1 9 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.152 -0.051 25817 2025 1 9 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.721 1.333 25817 2026 1 9 . 1 1 8 8 ILE H H 8 8.336 8.336 7.920 0.416 25817 2027 1 9 . 1 1 9 9 THR N N 9 116.052 116.052 116.648 -0.596 25817 2028 1 9 . 1 1 9 9 THR HA H 9 4.204 4.204 3.946 0.258 25817 2029 1 9 . 1 1 9 9 THR C C 9 176.094 176.094 176.961 -0.867 25817 2030 1 9 . 1 1 9 9 THR CA C 9 67.399 67.399 67.295 0.104 25817 2031 1 9 . 1 1 9 9 THR H H 9 7.900 7.900 8.083 -0.183 25817 2032 1 9 . 1 1 10 10 LEU N N 10 119.799 119.799 122.109 -2.310 25817 2033 1 9 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.052 -0.077 25817 2034 1 9 . 1 1 10 10 LEU C C 10 177.752 177.752 178.760 -1.008 25817 2035 1 9 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.391 -0.113 25817 2036 1 9 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.807 0.573 25817 2037 1 9 . 1 1 10 10 LEU H H 10 8.045 8.045 7.794 0.251 25817 2038 1 9 . 1 1 11 11 THR N N 11 114.472 114.472 116.343 -1.871 25817 2039 1 9 . 1 1 11 11 THR HA H 11 4.200 4.200 3.975 0.225 25817 2040 1 9 . 1 1 11 11 THR C C 11 176.296 176.296 177.034 -0.738 25817 2041 1 9 . 1 1 11 11 THR CA C 11 68.061 68.061 67.853 0.208 25817 2042 1 9 . 1 1 11 11 THR H H 11 7.904 7.904 8.304 -0.400 25817 2043 1 9 . 1 1 12 12 VAL N N 12 120.338 120.338 121.094 -0.756 25817 2044 1 9 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.660 -0.098 25817 2045 1 9 . 1 1 12 12 VAL C C 12 177.759 177.759 178.099 -0.340 25817 2046 1 9 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.086 -0.162 25817 2047 1 9 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.265 0.301 25817 2048 1 9 . 1 1 12 12 VAL H H 12 8.297 8.297 8.075 0.222 25817 2049 1 9 . 1 1 13 13 GLY N N 13 106.329 106.329 108.188 -1.859 25817 2050 1 9 . 1 1 13 13 GLY C C 13 174.383 174.383 176.122 -1.739 25817 2051 1 9 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.426 0.327 25817 2052 1 9 . 1 1 13 13 GLY H H 13 8.519 8.519 8.522 -0.003 25817 2053 1 9 . 1 1 14 14 PHE N N 14 120.488 120.488 123.034 -2.546 25817 2054 1 9 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.342 -0.142 25817 2055 1 9 . 1 1 14 14 PHE C C 14 177.591 177.591 177.167 0.424 25817 2056 1 9 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.046 1.576 25817 2057 1 9 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.130 -0.214 25817 2058 1 9 . 1 1 14 14 PHE H H 14 8.641 8.641 8.393 0.248 25817 2059 1 9 . 1 1 15 15 GLY N N 15 106.569 106.569 107.946 -1.377 25817 2060 1 9 . 1 1 15 15 GLY C C 15 174.533 174.533 176.018 -1.485 25817 2061 1 9 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.273 0.359 25817 2062 1 9 . 1 1 15 15 GLY H H 15 8.573 8.573 8.203 0.370 25817 2063 1 9 . 1 1 16 16 ILE N N 16 120.720 120.720 122.461 -1.741 25817 2064 1 9 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.782 -0.157 25817 2065 1 9 . 1 1 16 16 ILE C C 16 178.658 178.658 177.387 1.271 25817 2066 1 9 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.635 0.795 25817 2067 1 9 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.071 -0.883 25817 2068 1 9 . 1 1 16 16 ILE H H 16 8.573 8.573 8.173 0.400 25817 2069 1 9 . 1 1 17 17 LEU N N 17 123.135 123.135 122.152 0.983 25817 2070 1 9 . 1 1 17 17 LEU HA H 17 3.953 3.953 4.041 -0.088 25817 2071 1 9 . 1 1 17 17 LEU C C 17 178.226 178.226 179.022 -0.796 25817 2072 1 9 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.479 0.438 25817 2073 1 9 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.963 -0.417 25817 2074 1 9 . 1 1 17 17 LEU H H 17 8.191 8.191 7.585 0.606 25817 2075 1 9 . 1 1 18 18 ILE N N 18 117.937 117.937 119.532 -1.595 25817 2076 1 9 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.456 0.107 25817 2077 1 9 . 1 1 18 18 ILE C C 18 177.812 177.812 177.585 0.227 25817 2078 1 9 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.668 -0.999 25817 2079 1 9 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.662 -1.150 25817 2080 1 9 . 1 1 18 18 ILE H H 18 8.455 8.455 7.523 0.932 25817 2081 1 9 . 1 1 19 19 PHE N N 19 119.250 119.250 119.888 -0.638 25817 2082 1 9 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.976 0.121 25817 2083 1 9 . 1 1 19 19 PHE C C 19 177.133 177.133 177.422 -0.289 25817 2084 1 9 . 1 1 19 19 PHE CA C 19 61.902 61.902 61.642 0.260 25817 2085 1 9 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.157 0.123 25817 2086 1 9 . 1 1 19 19 PHE H H 19 8.629 8.629 7.868 0.761 25817 2087 1 9 . 1 1 20 20 SER N N 20 114.851 114.851 115.868 -1.017 25817 2088 1 9 . 1 1 20 20 SER HA H 20 4.049 4.049 4.046 0.003 25817 2089 1 9 . 1 1 20 20 SER C C 20 177.062 177.062 176.676 0.386 25817 2090 1 9 . 1 1 20 20 SER CA C 20 63.443 63.443 62.123 1.320 25817 2091 1 9 . 1 1 20 20 SER H H 20 8.588 8.588 8.724 -0.136 25817 2092 1 9 . 1 1 21 21 LEU N N 21 124.926 124.926 123.704 1.222 25817 2093 1 9 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.045 -0.023 25817 2094 1 9 . 1 1 21 21 LEU C C 21 178.183 178.183 178.721 -0.538 25817 2095 1 9 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.986 0.345 25817 2096 1 9 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.034 -0.263 25817 2097 1 9 . 1 1 21 21 LEU H H 21 8.194 8.194 7.845 0.349 25817 2098 1 9 . 1 1 22 22 ILE N N 22 119.416 119.416 118.235 1.181 25817 2099 1 9 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.595 0.017 25817 2100 1 9 . 1 1 22 22 ILE C C 22 178.539 178.539 178.177 0.362 25817 2101 1 9 . 1 1 22 22 ILE CA C 22 65.961 65.961 64.864 1.097 25817 2102 1 9 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.544 1.321 25817 2103 1 9 . 1 1 22 22 ILE H H 22 8.173 8.173 7.912 0.261 25817 2104 1 9 . 1 1 23 23 VAL N N 23 119.631 119.631 120.549 -0.918 25817 2105 1 9 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.570 -0.219 25817 2106 1 9 . 1 1 23 23 VAL C C 23 177.480 177.480 178.253 -0.773 25817 2107 1 9 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.954 0.850 25817 2108 1 9 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.320 0.051 25817 2109 1 9 . 1 1 23 23 VAL H H 23 8.517 8.517 7.725 0.792 25817 2110 1 9 . 1 1 24 24 THR N N 24 115.196 115.196 117.318 -2.122 25817 2111 1 9 . 1 1 24 24 THR HA H 24 4.212 4.212 3.891 0.321 25817 2112 1 9 . 1 1 24 24 THR C C 24 176.559 176.559 176.660 -0.101 25817 2113 1 9 . 1 1 24 24 THR CA C 24 68.061 68.061 67.294 0.767 25817 2114 1 9 . 1 1 24 24 THR H H 24 8.009 8.009 8.314 -0.305 25817 2115 1 9 . 1 1 25 25 TYR N N 25 121.989 121.989 122.997 -1.008 25817 2116 1 9 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.135 -0.100 25817 2117 1 9 . 1 1 25 25 TYR C C 25 177.742 177.742 177.310 0.432 25817 2118 1 9 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.591 -0.103 25817 2119 1 9 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.339 0.427 25817 2120 1 9 . 1 1 25 25 TYR H H 25 8.447 8.447 8.429 0.018 25817 2121 1 9 . 1 1 26 26 CYS N N 26 117.031 117.031 118.010 -0.979 25817 2122 1 9 . 1 1 26 26 CYS HA H 26 3.929 3.929 4.072 -0.143 25817 2123 1 9 . 1 1 26 26 CYS C C 26 176.855 176.855 177.067 -0.212 25817 2124 1 9 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.960 -0.583 25817 2125 1 9 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.388 -0.097 25817 2126 1 9 . 1 1 26 26 CYS H H 26 8.456 8.456 7.923 0.533 25817 2127 1 9 . 1 1 27 27 ILE N N 27 118.019 118.019 120.521 -2.502 25817 2128 1 9 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.562 0.163 25817 2129 1 9 . 1 1 27 27 ILE C C 27 177.543 177.543 177.903 -0.360 25817 2130 1 9 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.074 -0.419 25817 2131 1 9 . 1 1 27 27 ILE CB C 27 37.691 37.691 36.998 0.693 25817 2132 1 9 . 1 1 27 27 ILE H H 27 8.460 8.460 7.840 0.620 25817 2133 1 9 . 1 1 28 28 ASN N N 28 117.725 117.725 118.322 -0.597 25817 2134 1 9 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.310 0.156 25817 2135 1 9 . 1 1 28 28 ASN C C 28 176.330 176.330 177.426 -1.096 25817 2136 1 9 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.276 -0.223 25817 2137 1 9 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.449 1.120 25817 2138 1 9 . 1 1 28 28 ASN H H 28 7.933 7.933 7.787 0.146 25817 2139 1 9 . 1 1 29 29 ALA N N 29 120.930 120.930 123.413 -2.483 25817 2140 1 9 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.959 0.166 25817 2141 1 9 . 1 1 29 29 ALA C C 29 178.485 178.485 179.235 -0.750 25817 2142 1 9 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.048 -1.402 25817 2143 1 9 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.366 0.438 25817 2144 1 9 . 1 1 29 29 ALA H H 29 8.116 8.116 7.915 0.201 25817 2145 1 9 . 1 1 30 30 LYS N N 30 116.477 116.477 118.711 -2.234 25817 2146 1 9 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.981 0.312 25817 2147 1 9 . 1 1 30 30 LYS C C 30 176.352 176.352 178.396 -2.044 25817 2148 1 9 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.840 -2.939 25817 2149 1 9 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.385 -0.239 25817 2150 1 9 . 1 1 30 30 LYS H H 30 7.710 7.710 8.162 -0.452 25817 2151 1 9 . 1 1 31 31 ALA N N 31 122.148 122.148 121.826 0.322 25817 2152 1 9 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.367 -0.134 25817 2153 1 9 . 1 1 31 31 ALA C C 31 177.308 177.308 179.668 -2.360 25817 2154 1 9 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.241 -0.899 25817 2155 1 9 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.143 0.325 25817 2156 1 9 . 1 1 31 31 ALA H H 31 7.881 7.881 7.634 0.247 25817 2157 1 9 . 1 1 32 32 ASP N N 32 117.233 117.233 120.945 -3.712 25817 2158 1 9 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.637 -0.109 25817 2159 1 9 . 1 1 32 32 ASP C C 32 176.069 176.069 178.792 -2.723 25817 2160 1 9 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.114 -2.341 25817 2161 1 9 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.221 -0.001 25817 2162 1 9 . 1 1 32 32 ASP H H 32 8.251 8.251 8.527 -0.276 25817 2163 1 9 . 1 1 33 33 VAL N N 33 116.751 116.751 117.857 -1.106 25817 2164 1 9 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.839 0.263 25817 2165 1 9 . 1 1 33 33 VAL C C 33 175.474 175.474 176.786 -1.312 25817 2166 1 9 . 1 1 33 33 VAL CA C 33 62.618 62.618 63.956 -1.338 25817 2167 1 9 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.279 1.528 25817 2168 1 9 . 1 1 33 33 VAL H H 33 7.647 7.647 7.748 -0.101 25817 2169 1 9 . 1 1 34 34 LEU N N 34 121.923 121.923 118.685 3.238 25817 2170 1 9 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.078 0.186 25817 2171 1 9 . 1 1 34 34 LEU C C 34 176.502 176.502 175.730 0.772 25817 2172 1 9 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.308 -0.005 25817 2173 1 9 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.660 1.005 25817 2174 1 9 . 1 1 34 34 LEU H H 34 7.876 7.876 7.557 0.319 25817 2175 1 9 . 1 1 35 35 PHE N N 35 118.600 118.600 118.016 0.584 25817 2176 1 9 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.709 -0.114 25817 2177 1 9 . 1 1 35 35 PHE C C 35 175.009 175.009 176.331 -1.322 25817 2178 1 9 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.826 1.132 25817 2179 1 9 . 1 1 35 35 PHE CB C 35 39.289 39.289 40.503 -1.214 25817 2180 1 9 . 1 1 35 35 PHE H H 35 7.788 7.788 7.909 -0.121 25817 2181 1 9 . 1 1 36 36 ILE N N 36 119.235 119.235 121.679 -2.444 25817 2182 1 9 . 1 1 36 36 ILE HA H 36 4.106 4.106 4.123 -0.017 25817 2183 1 9 . 1 1 36 36 ILE C C 36 174.800 174.800 175.090 -0.290 25817 2184 1 9 . 1 1 36 36 ILE CA C 36 60.816 60.816 60.149 0.667 25817 2185 1 9 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.617 4.342 25817 2186 1 9 . 1 1 36 36 ILE H H 36 7.489 7.489 8.470 -0.981 25817 2187 1 9 . 1 1 37 37 ALA N N 37 126.894 126.894 127.449 -0.555 25817 2188 1 9 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.229 0.294 25817 2189 1 9 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.381 -0.719 25817 2190 1 9 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.285 0.100 25817 2191 1 9 . 1 1 37 37 ALA H H 37 7.923 7.923 8.023 -0.100 25817 2192 1 9 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.452 -0.046 25817 2193 1 9 . 1 1 38 38 PRO C C 38 176.806 176.806 175.825 0.981 25817 2194 1 9 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.202 -0.220 25817 2195 1 9 . 1 1 38 38 PRO CB C 38 31.849 31.849 31.671 0.178 25817 2196 1 9 . 1 1 39 39 ARG N N 39 119.994 119.994 123.338 -3.344 25817 2197 1 9 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.575 -0.275 25817 2198 1 9 . 1 1 39 39 ARG C C 39 175.960 175.960 175.144 0.816 25817 2199 1 9 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.701 1.107 25817 2200 1 9 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.512 -0.504 25817 2201 1 9 . 1 1 39 39 ARG H H 39 8.088 8.088 8.229 -0.141 25817 2202 1 9 . 1 1 40 40 GLU N N 40 122.023 122.023 121.693 0.330 25817 2203 1 9 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.369 0.223 25817 2204 1 9 . 1 1 40 40 GLU CA C 40 54.111 54.111 55.445 -1.334 25817 2205 1 9 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.871 -0.202 25817 2206 1 9 . 1 1 40 40 GLU H H 40 8.179 8.179 8.581 -0.402 25817 2207 1 9 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.360 0.035 25817 2208 1 9 . 1 1 41 41 PRO C C 41 177.650 177.650 177.263 0.387 25817 2209 1 9 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.099 0.622 25817 2210 1 9 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.054 0.740 25817 2211 1 9 . 1 1 42 42 GLY N N 42 108.968 108.968 114.730 -5.762 25817 2212 1 9 . 1 1 42 42 GLY C C 42 173.943 173.943 174.787 -0.844 25817 2213 1 9 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.619 -0.312 25817 2214 1 9 . 1 1 42 42 GLY H H 42 8.387 8.387 8.515 -0.128 25817 2215 1 9 . 1 1 43 43 ALA N N 43 123.557 123.557 119.176 4.381 25817 2216 1 9 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.021 0.299 25817 2217 1 9 . 1 1 43 43 ALA C C 43 177.613 177.613 177.937 -0.324 25817 2218 1 9 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.878 -0.342 25817 2219 1 9 . 1 1 43 43 ALA CB C 43 19.258 19.258 17.652 1.606 25817 2220 1 9 . 1 1 43 43 ALA H H 43 7.963 7.963 7.507 0.456 25817 2221 1 9 . 1 1 44 44 VAL N N 44 118.502 118.502 114.099 4.403 25817 2222 1 9 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.516 0.589 25817 2223 1 9 . 1 1 44 44 VAL C C 44 175.735 175.735 175.587 0.148 25817 2224 1 9 . 1 1 44 44 VAL CA C 44 62.019 62.019 63.635 -1.616 25817 2225 1 9 . 1 1 44 44 VAL CB C 44 32.901 32.901 29.993 2.908 25817 2226 1 9 . 1 1 44 44 VAL H H 44 7.940 7.940 8.096 -0.156 25817 2227 1 9 . 1 1 45 45 SER N N 45 119.252 119.252 110.550 8.702 25817 2228 1 9 . 1 1 45 45 SER HA H 45 4.438 4.438 4.025 0.413 25817 2229 1 9 . 1 1 45 45 SER C C 45 172.924 172.924 174.426 -1.502 25817 2230 1 9 . 1 1 45 45 SER CA C 45 57.844 57.844 59.288 -1.444 25817 2231 1 9 . 1 1 45 45 SER CB C 45 64.261 64.261 62.242 2.018 25817 2232 1 9 . 1 1 45 45 SER H H 45 8.082 8.082 7.943 0.139 25817 2233 1 10 . 1 1 2 2 SER N N 2 114.638 114.638 115.766 -1.128 25817 2234 1 10 . 1 1 2 2 SER HA H 2 4.435 4.435 4.051 0.384 25817 2235 1 10 . 1 1 2 2 SER C C 2 174.655 174.655 176.191 -1.536 25817 2236 1 10 . 1 1 2 2 SER CA C 2 58.287 58.287 60.854 -2.567 25817 2237 1 10 . 1 1 2 2 SER CB C 2 64.193 64.193 62.648 1.545 25817 2238 1 10 . 1 1 2 2 SER H H 2 8.068 8.068 8.643 -0.575 25817 2239 1 10 . 1 1 3 3 LYS N N 3 122.754 122.754 119.634 3.120 25817 2240 1 10 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.009 0.197 25817 2241 1 10 . 1 1 3 3 LYS C C 3 177.164 177.164 178.779 -1.615 25817 2242 1 10 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.738 -1.685 25817 2243 1 10 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.328 -0.299 25817 2244 1 10 . 1 1 3 3 LYS H H 3 8.368 8.368 8.281 0.087 25817 2245 1 10 . 1 1 4 4 GLU N N 4 118.462 118.462 119.583 -1.121 25817 2246 1 10 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.060 -0.022 25817 2247 1 10 . 1 1 4 4 GLU C C 4 177.164 177.164 179.080 -1.916 25817 2248 1 10 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.091 0.194 25817 2249 1 10 . 1 1 4 4 GLU CB C 4 28.765 28.765 28.780 -0.015 25817 2250 1 10 . 1 1 4 4 GLU H H 4 8.411 8.411 8.187 0.224 25817 2251 1 10 . 1 1 5 5 LEU N N 5 119.346 119.346 118.569 0.777 25817 2252 1 10 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.969 0.207 25817 2253 1 10 . 1 1 5 5 LEU C C 5 179.105 179.105 178.827 0.278 25817 2254 1 10 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.624 -1.549 25817 2255 1 10 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.810 0.036 25817 2256 1 10 . 1 1 5 5 LEU H H 5 7.879 7.879 8.059 -0.180 25817 2257 1 10 . 1 1 6 6 GLU N N 6 120.818 120.818 120.419 0.399 25817 2258 1 10 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.028 -0.052 25817 2259 1 10 . 1 1 6 6 GLU C C 6 177.071 177.071 179.121 -2.050 25817 2260 1 10 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.578 -0.327 25817 2261 1 10 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.506 -1.078 25817 2262 1 10 . 1 1 6 6 GLU H H 6 8.349 8.349 7.379 0.970 25817 2263 1 10 . 1 1 7 7 LEU N N 7 118.820 118.820 120.752 -1.932 25817 2264 1 10 . 1 1 7 7 LEU HA H 7 4.094 4.094 4.055 0.039 25817 2265 1 10 . 1 1 7 7 LEU C C 7 179.724 179.724 179.154 0.570 25817 2266 1 10 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.232 -0.204 25817 2267 1 10 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.595 0.311 25817 2268 1 10 . 1 1 7 7 LEU H H 7 8.219 8.219 7.781 0.438 25817 2269 1 10 . 1 1 8 8 ILE N N 8 120.124 120.124 120.019 0.105 25817 2270 1 10 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.605 0.116 25817 2271 1 10 . 1 1 8 8 ILE C C 8 176.524 176.524 178.324 -1.800 25817 2272 1 10 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.416 -0.315 25817 2273 1 10 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.708 1.346 25817 2274 1 10 . 1 1 8 8 ILE H H 8 8.336 8.336 8.438 -0.102 25817 2275 1 10 . 1 1 9 9 THR N N 9 116.052 116.052 116.341 -0.289 25817 2276 1 10 . 1 1 9 9 THR HA H 9 4.204 4.204 4.010 0.194 25817 2277 1 10 . 1 1 9 9 THR C C 9 176.094 176.094 177.052 -0.958 25817 2278 1 10 . 1 1 9 9 THR CA C 9 67.399 67.399 66.890 0.509 25817 2279 1 10 . 1 1 9 9 THR H H 9 7.900 7.900 7.898 0.002 25817 2280 1 10 . 1 1 10 10 LEU N N 10 119.799 119.799 122.305 -2.506 25817 2281 1 10 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.093 -0.118 25817 2282 1 10 . 1 1 10 10 LEU C C 10 177.752 177.752 179.047 -1.295 25817 2283 1 10 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.231 0.046 25817 2284 1 10 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.204 1.176 25817 2285 1 10 . 1 1 10 10 LEU H H 10 8.045 8.045 8.128 -0.083 25817 2286 1 10 . 1 1 11 11 THR N N 11 114.472 114.472 116.478 -2.006 25817 2287 1 10 . 1 1 11 11 THR HA H 11 4.200 4.200 4.023 0.177 25817 2288 1 10 . 1 1 11 11 THR C C 11 176.296 176.296 176.817 -0.521 25817 2289 1 10 . 1 1 11 11 THR CA C 11 68.061 68.061 67.293 0.768 25817 2290 1 10 . 1 1 11 11 THR H H 11 7.904 7.904 8.353 -0.449 25817 2291 1 10 . 1 1 12 12 VAL N N 12 120.338 120.338 121.403 -1.065 25817 2292 1 10 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.692 -0.130 25817 2293 1 10 . 1 1 12 12 VAL C C 12 177.759 177.759 178.311 -0.552 25817 2294 1 10 . 1 1 12 12 VAL CA C 12 66.924 66.924 65.810 1.114 25817 2295 1 10 . 1 1 12 12 VAL CB C 12 31.566 31.566 30.778 0.788 25817 2296 1 10 . 1 1 12 12 VAL H H 12 8.297 8.297 7.818 0.479 25817 2297 1 10 . 1 1 13 13 GLY N N 13 106.329 106.329 107.685 -1.356 25817 2298 1 10 . 1 1 13 13 GLY C C 13 174.383 174.383 175.863 -1.480 25817 2299 1 10 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.209 0.544 25817 2300 1 10 . 1 1 13 13 GLY H H 13 8.519 8.519 8.227 0.292 25817 2301 1 10 . 1 1 14 14 PHE N N 14 120.488 120.488 123.423 -2.935 25817 2302 1 10 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.235 -0.035 25817 2303 1 10 . 1 1 14 14 PHE C C 14 177.591 177.591 177.294 0.297 25817 2304 1 10 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.192 1.430 25817 2305 1 10 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.027 -0.111 25817 2306 1 10 . 1 1 14 14 PHE H H 14 8.641 8.641 8.166 0.475 25817 2307 1 10 . 1 1 15 15 GLY N N 15 106.569 106.569 107.858 -1.289 25817 2308 1 10 . 1 1 15 15 GLY C C 15 174.533 174.533 175.993 -1.460 25817 2309 1 10 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.393 0.239 25817 2310 1 10 . 1 1 15 15 GLY H H 15 8.573 8.573 8.550 0.023 25817 2311 1 10 . 1 1 16 16 ILE N N 16 120.720 120.720 122.680 -1.960 25817 2312 1 10 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.710 -0.085 25817 2313 1 10 . 1 1 16 16 ILE C C 16 178.658 178.658 177.652 1.006 25817 2314 1 10 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.832 0.598 25817 2315 1 10 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.961 -0.773 25817 2316 1 10 . 1 1 16 16 ILE H H 16 8.573 8.573 7.773 0.800 25817 2317 1 10 . 1 1 17 17 LEU N N 17 123.135 123.135 120.815 2.320 25817 2318 1 10 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.944 0.009 25817 2319 1 10 . 1 1 17 17 LEU C C 17 178.226 178.226 178.784 -0.558 25817 2320 1 10 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.609 0.308 25817 2321 1 10 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.584 -0.038 25817 2322 1 10 . 1 1 17 17 LEU H H 17 8.191 8.191 7.739 0.452 25817 2323 1 10 . 1 1 18 18 ILE N N 18 117.937 117.937 119.600 -1.663 25817 2324 1 10 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.358 0.205 25817 2325 1 10 . 1 1 18 18 ILE C C 18 177.812 177.812 177.745 0.067 25817 2326 1 10 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.595 -0.925 25817 2327 1 10 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.479 -0.967 25817 2328 1 10 . 1 1 18 18 ILE H H 18 8.455 8.455 7.563 0.892 25817 2329 1 10 . 1 1 19 19 PHE N N 19 119.250 119.250 119.328 -0.078 25817 2330 1 10 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.941 0.156 25817 2331 1 10 . 1 1 19 19 PHE C C 19 177.133 177.133 177.822 -0.689 25817 2332 1 10 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.775 -0.873 25817 2333 1 10 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.663 0.617 25817 2334 1 10 . 1 1 19 19 PHE H H 19 8.629 8.629 8.025 0.604 25817 2335 1 10 . 1 1 20 20 SER N N 20 114.851 114.851 114.536 0.315 25817 2336 1 10 . 1 1 20 20 SER HA H 20 4.049 4.049 4.120 -0.071 25817 2337 1 10 . 1 1 20 20 SER C C 20 177.062 177.062 176.338 0.724 25817 2338 1 10 . 1 1 20 20 SER CA C 20 63.443 63.443 62.391 1.052 25817 2339 1 10 . 1 1 20 20 SER H H 20 8.588 8.588 8.503 0.085 25817 2340 1 10 . 1 1 21 21 LEU N N 21 124.926 124.926 122.911 2.015 25817 2341 1 10 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.020 0.002 25817 2342 1 10 . 1 1 21 21 LEU C C 21 178.183 178.183 178.220 -0.037 25817 2343 1 10 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.094 0.237 25817 2344 1 10 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.767 0.003 25817 2345 1 10 . 1 1 21 21 LEU H H 21 8.194 8.194 7.804 0.390 25817 2346 1 10 . 1 1 22 22 ILE N N 22 119.416 119.416 119.018 0.398 25817 2347 1 10 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.659 -0.047 25817 2348 1 10 . 1 1 22 22 ILE C C 22 178.539 178.539 178.403 0.136 25817 2349 1 10 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.060 0.901 25817 2350 1 10 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.687 1.177 25817 2351 1 10 . 1 1 22 22 ILE H H 22 8.173 8.173 8.066 0.107 25817 2352 1 10 . 1 1 23 23 VAL N N 23 119.631 119.631 120.862 -1.231 25817 2353 1 10 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.732 -0.381 25817 2354 1 10 . 1 1 23 23 VAL C C 23 177.480 177.480 178.178 -0.698 25817 2355 1 10 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.926 0.878 25817 2356 1 10 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.270 0.101 25817 2357 1 10 . 1 1 23 23 VAL H H 23 8.517 8.517 8.447 0.070 25817 2358 1 10 . 1 1 24 24 THR N N 24 115.196 115.196 117.287 -2.091 25817 2359 1 10 . 1 1 24 24 THR HA H 24 4.212 4.212 3.926 0.286 25817 2360 1 10 . 1 1 24 24 THR C C 24 176.559 176.559 176.486 0.073 25817 2361 1 10 . 1 1 24 24 THR CA C 24 68.061 68.061 67.059 1.002 25817 2362 1 10 . 1 1 24 24 THR H H 24 8.009 8.009 8.451 -0.442 25817 2363 1 10 . 1 1 25 25 TYR N N 25 121.989 121.989 123.506 -1.517 25817 2364 1 10 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.241 -0.206 25817 2365 1 10 . 1 1 25 25 TYR C C 25 177.742 177.742 176.992 0.750 25817 2366 1 10 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.689 0.799 25817 2367 1 10 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.584 0.182 25817 2368 1 10 . 1 1 25 25 TYR H H 25 8.447 8.447 8.224 0.223 25817 2369 1 10 . 1 1 26 26 CYS N N 26 117.031 117.031 118.492 -1.461 25817 2370 1 10 . 1 1 26 26 CYS HA H 26 3.929 3.929 4.053 -0.124 25817 2371 1 10 . 1 1 26 26 CYS C C 26 176.855 176.855 177.268 -0.413 25817 2372 1 10 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.405 0.972 25817 2373 1 10 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.349 0.942 25817 2374 1 10 . 1 1 26 26 CYS H H 26 8.456 8.456 8.407 0.049 25817 2375 1 10 . 1 1 27 27 ILE N N 27 118.019 118.019 120.811 -2.792 25817 2376 1 10 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.529 0.196 25817 2377 1 10 . 1 1 27 27 ILE C C 27 177.543 177.543 177.299 0.244 25817 2378 1 10 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.758 -1.103 25817 2379 1 10 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.843 -0.152 25817 2380 1 10 . 1 1 27 27 ILE H H 27 8.460 8.460 7.834 0.626 25817 2381 1 10 . 1 1 28 28 ASN N N 28 117.725 117.725 118.333 -0.608 25817 2382 1 10 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.300 0.166 25817 2383 1 10 . 1 1 28 28 ASN C C 28 176.330 176.330 177.406 -1.076 25817 2384 1 10 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.742 -0.688 25817 2385 1 10 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.041 1.528 25817 2386 1 10 . 1 1 28 28 ASN H H 28 7.933 7.933 7.884 0.049 25817 2387 1 10 . 1 1 29 29 ALA N N 29 120.930 120.930 123.445 -2.515 25817 2388 1 10 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.871 0.254 25817 2389 1 10 . 1 1 29 29 ALA C C 29 178.485 178.485 179.125 -0.640 25817 2390 1 10 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.770 -1.124 25817 2391 1 10 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.187 0.616 25817 2392 1 10 . 1 1 29 29 ALA H H 29 8.116 8.116 7.950 0.166 25817 2393 1 10 . 1 1 30 30 LYS N N 30 116.477 116.477 118.829 -2.352 25817 2394 1 10 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.888 0.405 25817 2395 1 10 . 1 1 30 30 LYS C C 30 176.352 176.352 178.763 -2.411 25817 2396 1 10 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.201 -3.300 25817 2397 1 10 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.150 -0.004 25817 2398 1 10 . 1 1 30 30 LYS H H 30 7.710 7.710 7.588 0.122 25817 2399 1 10 . 1 1 31 31 ALA N N 31 122.148 122.148 122.090 0.058 25817 2400 1 10 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.069 0.164 25817 2401 1 10 . 1 1 31 31 ALA C C 31 177.308 177.308 179.525 -2.217 25817 2402 1 10 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.370 -2.028 25817 2403 1 10 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.090 1.378 25817 2404 1 10 . 1 1 31 31 ALA H H 31 7.881 7.881 7.805 0.076 25817 2405 1 10 . 1 1 32 32 ASP N N 32 117.233 117.233 118.870 -1.637 25817 2406 1 10 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.381 0.147 25817 2407 1 10 . 1 1 32 32 ASP C C 32 176.069 176.069 178.302 -2.233 25817 2408 1 10 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.860 -3.087 25817 2409 1 10 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.715 -0.495 25817 2410 1 10 . 1 1 32 32 ASP H H 32 8.251 8.251 7.829 0.422 25817 2411 1 10 . 1 1 33 33 VAL N N 33 116.751 116.751 120.396 -3.645 25817 2412 1 10 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.840 0.262 25817 2413 1 10 . 1 1 33 33 VAL C C 33 175.474 175.474 178.006 -2.532 25817 2414 1 10 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.228 -2.610 25817 2415 1 10 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.803 1.004 25817 2416 1 10 . 1 1 33 33 VAL H H 33 7.647 7.647 7.675 -0.028 25817 2417 1 10 . 1 1 34 34 LEU N N 34 121.923 121.923 120.447 1.476 25817 2418 1 10 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.749 0.515 25817 2419 1 10 . 1 1 34 34 LEU C C 34 176.502 176.502 177.133 -0.631 25817 2420 1 10 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.900 -2.597 25817 2421 1 10 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.064 0.601 25817 2422 1 10 . 1 1 34 34 LEU H H 34 7.876 7.876 8.140 -0.264 25817 2423 1 10 . 1 1 35 35 PHE N N 35 118.600 118.600 115.974 2.626 25817 2424 1 10 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.619 -0.024 25817 2425 1 10 . 1 1 35 35 PHE C C 35 175.009 175.009 174.637 0.372 25817 2426 1 10 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.435 1.523 25817 2427 1 10 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.051 0.238 25817 2428 1 10 . 1 1 35 35 PHE H H 35 7.788 7.788 7.535 0.253 25817 2429 1 10 . 1 1 36 36 ILE N N 36 119.235 119.235 121.979 -2.744 25817 2430 1 10 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.724 0.382 25817 2431 1 10 . 1 1 36 36 ILE C C 36 174.800 174.800 175.959 -1.159 25817 2432 1 10 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.174 -0.358 25817 2433 1 10 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.730 4.229 25817 2434 1 10 . 1 1 36 36 ILE H H 36 7.489 7.489 7.959 -0.470 25817 2435 1 10 . 1 1 37 37 ALA N N 37 126.894 126.894 128.606 -1.712 25817 2436 1 10 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.339 0.184 25817 2437 1 10 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.768 -1.106 25817 2438 1 10 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.959 -0.574 25817 2439 1 10 . 1 1 37 37 ALA H H 37 7.923 7.923 8.693 -0.770 25817 2440 1 10 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.471 -0.065 25817 2441 1 10 . 1 1 38 38 PRO C C 38 176.806 176.806 176.264 0.542 25817 2442 1 10 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.867 0.115 25817 2443 1 10 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.137 -0.288 25817 2444 1 10 . 1 1 39 39 ARG N N 39 119.994 119.994 120.817 -0.823 25817 2445 1 10 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.578 -0.278 25817 2446 1 10 . 1 1 39 39 ARG C C 39 175.960 175.960 175.051 0.909 25817 2447 1 10 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.581 0.227 25817 2448 1 10 . 1 1 39 39 ARG CB C 39 31.008 31.008 30.807 0.201 25817 2449 1 10 . 1 1 39 39 ARG H H 39 8.088 8.088 8.328 -0.240 25817 2450 1 10 . 1 1 40 40 GLU N N 40 122.023 122.023 122.414 -0.391 25817 2451 1 10 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.697 -0.105 25817 2452 1 10 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.621 0.490 25817 2453 1 10 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.983 -0.314 25817 2454 1 10 . 1 1 40 40 GLU H H 40 8.179 8.179 8.602 -0.423 25817 2455 1 10 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.432 -0.037 25817 2456 1 10 . 1 1 41 41 PRO C C 41 177.650 177.650 177.188 0.462 25817 2457 1 10 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.318 0.403 25817 2458 1 10 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.903 0.891 25817 2459 1 10 . 1 1 42 42 GLY N N 42 108.968 108.968 112.886 -3.918 25817 2460 1 10 . 1 1 42 42 GLY C C 42 173.943 173.943 174.675 -0.732 25817 2461 1 10 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.826 0.481 25817 2462 1 10 . 1 1 42 42 GLY H H 42 8.387 8.387 8.152 0.235 25817 2463 1 10 . 1 1 43 43 ALA N N 43 123.557 123.557 123.416 0.141 25817 2464 1 10 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.130 0.190 25817 2465 1 10 . 1 1 43 43 ALA C C 43 177.613 177.613 177.964 -0.351 25817 2466 1 10 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.817 -0.281 25817 2467 1 10 . 1 1 43 43 ALA CB C 43 19.258 19.258 19.265 -0.007 25817 2468 1 10 . 1 1 43 43 ALA H H 43 7.963 7.963 7.432 0.531 25817 2469 1 10 . 1 1 44 44 VAL N N 44 118.502 118.502 118.611 -0.109 25817 2470 1 10 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.575 0.530 25817 2471 1 10 . 1 1 44 44 VAL C C 44 175.735 175.735 176.713 -0.978 25817 2472 1 10 . 1 1 44 44 VAL CA C 44 62.019 62.019 63.951 -1.932 25817 2473 1 10 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.370 1.531 25817 2474 1 10 . 1 1 44 44 VAL H H 44 7.940 7.940 8.349 -0.409 25817 2475 1 10 . 1 1 45 45 SER N N 45 119.252 119.252 115.049 4.203 25817 2476 1 10 . 1 1 45 45 SER HA H 45 4.438 4.438 4.123 0.315 25817 2477 1 10 . 1 1 45 45 SER C C 45 172.924 172.924 173.783 -0.859 25817 2478 1 10 . 1 1 45 45 SER CA C 45 57.844 57.844 58.930 -1.086 25817 2479 1 10 . 1 1 45 45 SER CB C 45 64.261 64.261 62.941 1.320 25817 2480 1 10 . 1 1 45 45 SER H H 45 8.082 8.082 8.224 -0.142 25817 2481 1 11 . 1 1 2 2 SER N N 2 114.638 114.638 117.624 -2.986 25817 2482 1 11 . 1 1 2 2 SER HA H 2 4.435 4.435 4.121 0.314 25817 2483 1 11 . 1 1 2 2 SER C C 2 174.655 174.655 176.425 -1.770 25817 2484 1 11 . 1 1 2 2 SER CA C 2 58.287 58.287 61.296 -3.009 25817 2485 1 11 . 1 1 2 2 SER CB C 2 64.193 64.193 63.316 0.877 25817 2486 1 11 . 1 1 2 2 SER H H 2 8.068 8.068 8.747 -0.679 25817 2487 1 11 . 1 1 3 3 LYS N N 3 122.754 122.754 120.076 2.678 25817 2488 1 11 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.983 0.223 25817 2489 1 11 . 1 1 3 3 LYS C C 3 177.164 177.164 178.994 -1.830 25817 2490 1 11 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.815 -1.762 25817 2491 1 11 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.276 -0.248 25817 2492 1 11 . 1 1 3 3 LYS H H 3 8.368 8.368 8.420 -0.052 25817 2493 1 11 . 1 1 4 4 GLU N N 4 118.462 118.462 119.371 -0.909 25817 2494 1 11 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.070 -0.032 25817 2495 1 11 . 1 1 4 4 GLU C C 4 177.164 177.164 178.987 -1.823 25817 2496 1 11 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.372 -0.087 25817 2497 1 11 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.598 -0.833 25817 2498 1 11 . 1 1 4 4 GLU H H 4 8.411 8.411 8.128 0.283 25817 2499 1 11 . 1 1 5 5 LEU N N 5 119.346 119.346 119.956 -0.610 25817 2500 1 11 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.038 0.138 25817 2501 1 11 . 1 1 5 5 LEU C C 5 179.105 179.105 179.657 -0.552 25817 2502 1 11 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.732 -0.657 25817 2503 1 11 . 1 1 5 5 LEU CB C 5 41.846 41.846 40.829 1.017 25817 2504 1 11 . 1 1 5 5 LEU H H 5 7.879 7.879 7.563 0.316 25817 2505 1 11 . 1 1 6 6 GLU N N 6 120.818 120.818 119.903 0.915 25817 2506 1 11 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.123 -0.147 25817 2507 1 11 . 1 1 6 6 GLU C C 6 177.071 177.071 179.252 -2.181 25817 2508 1 11 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.472 -0.221 25817 2509 1 11 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.305 -0.877 25817 2510 1 11 . 1 1 6 6 GLU H H 6 8.349 8.349 8.320 0.029 25817 2511 1 11 . 1 1 7 7 LEU N N 7 118.820 118.820 120.878 -2.058 25817 2512 1 11 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.975 0.119 25817 2513 1 11 . 1 1 7 7 LEU C C 7 179.724 179.724 179.116 0.608 25817 2514 1 11 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.172 -0.144 25817 2515 1 11 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.861 0.045 25817 2516 1 11 . 1 1 7 7 LEU H H 7 8.219 8.219 7.675 0.544 25817 2517 1 11 . 1 1 8 8 ILE N N 8 120.124 120.124 119.286 0.838 25817 2518 1 11 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.705 0.016 25817 2519 1 11 . 1 1 8 8 ILE C C 8 176.524 176.524 178.201 -1.677 25817 2520 1 11 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.054 0.047 25817 2521 1 11 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.898 1.156 25817 2522 1 11 . 1 1 8 8 ILE H H 8 8.336 8.336 8.271 0.065 25817 2523 1 11 . 1 1 9 9 THR N N 9 116.052 116.052 117.258 -1.206 25817 2524 1 11 . 1 1 9 9 THR HA H 9 4.204 4.204 3.974 0.230 25817 2525 1 11 . 1 1 9 9 THR C C 9 176.094 176.094 176.698 -0.604 25817 2526 1 11 . 1 1 9 9 THR CA C 9 67.399 67.399 67.259 0.140 25817 2527 1 11 . 1 1 9 9 THR H H 9 7.900 7.900 7.844 0.056 25817 2528 1 11 . 1 1 10 10 LEU N N 10 119.799 119.799 122.296 -2.497 25817 2529 1 11 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.017 -0.042 25817 2530 1 11 . 1 1 10 10 LEU C C 10 177.752 177.752 178.120 -0.368 25817 2531 1 11 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.635 -0.358 25817 2532 1 11 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.998 0.382 25817 2533 1 11 . 1 1 10 10 LEU H H 10 8.045 8.045 8.337 -0.292 25817 2534 1 11 . 1 1 11 11 THR N N 11 114.472 114.472 116.469 -1.997 25817 2535 1 11 . 1 1 11 11 THR HA H 11 4.200 4.200 3.929 0.271 25817 2536 1 11 . 1 1 11 11 THR C C 11 176.296 176.296 176.830 -0.534 25817 2537 1 11 . 1 1 11 11 THR CA C 11 68.061 68.061 67.853 0.208 25817 2538 1 11 . 1 1 11 11 THR H H 11 7.904 7.904 7.948 -0.044 25817 2539 1 11 . 1 1 12 12 VAL N N 12 120.338 120.338 121.131 -0.793 25817 2540 1 11 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.618 -0.056 25817 2541 1 11 . 1 1 12 12 VAL C C 12 177.759 177.759 177.915 -0.156 25817 2542 1 11 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.820 0.104 25817 2543 1 11 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.640 -0.074 25817 2544 1 11 . 1 1 12 12 VAL H H 12 8.297 8.297 7.851 0.446 25817 2545 1 11 . 1 1 13 13 GLY N N 13 106.329 106.329 108.278 -1.949 25817 2546 1 11 . 1 1 13 13 GLY C C 13 174.383 174.383 175.665 -1.282 25817 2547 1 11 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.365 0.388 25817 2548 1 11 . 1 1 13 13 GLY H H 13 8.519 8.519 8.252 0.267 25817 2549 1 11 . 1 1 14 14 PHE N N 14 120.488 120.488 123.299 -2.811 25817 2550 1 11 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.148 0.052 25817 2551 1 11 . 1 1 14 14 PHE C C 14 177.591 177.591 177.454 0.137 25817 2552 1 11 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.663 0.960 25817 2553 1 11 . 1 1 14 14 PHE CB C 14 38.916 38.916 38.930 -0.014 25817 2554 1 11 . 1 1 14 14 PHE H H 14 8.641 8.641 8.513 0.128 25817 2555 1 11 . 1 1 15 15 GLY N N 15 106.569 106.569 107.324 -0.755 25817 2556 1 11 . 1 1 15 15 GLY C C 15 174.533 174.533 176.010 -1.477 25817 2557 1 11 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.221 0.411 25817 2558 1 11 . 1 1 15 15 GLY H H 15 8.573 8.573 7.936 0.637 25817 2559 1 11 . 1 1 16 16 ILE N N 16 120.720 120.720 123.135 -2.415 25817 2560 1 11 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.684 -0.059 25817 2561 1 11 . 1 1 16 16 ILE C C 16 178.658 178.658 177.416 1.242 25817 2562 1 11 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.908 0.522 25817 2563 1 11 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.080 -0.891 25817 2564 1 11 . 1 1 16 16 ILE H H 16 8.573 8.573 7.786 0.787 25817 2565 1 11 . 1 1 17 17 LEU N N 17 123.135 123.135 120.822 2.313 25817 2566 1 11 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.909 0.044 25817 2567 1 11 . 1 1 17 17 LEU C C 17 178.226 178.226 178.767 -0.541 25817 2568 1 11 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.569 0.348 25817 2569 1 11 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.864 -0.318 25817 2570 1 11 . 1 1 17 17 LEU H H 17 8.191 8.191 8.242 -0.051 25817 2571 1 11 . 1 1 18 18 ILE N N 18 117.937 117.937 119.458 -1.521 25817 2572 1 11 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.426 0.137 25817 2573 1 11 . 1 1 18 18 ILE C C 18 177.812 177.812 177.650 0.162 25817 2574 1 11 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.596 -0.926 25817 2575 1 11 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.582 -1.070 25817 2576 1 11 . 1 1 18 18 ILE H H 18 8.455 8.455 7.533 0.922 25817 2577 1 11 . 1 1 19 19 PHE N N 19 119.250 119.250 119.718 -0.468 25817 2578 1 11 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.950 0.147 25817 2579 1 11 . 1 1 19 19 PHE C C 19 177.133 177.133 177.885 -0.752 25817 2580 1 11 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.228 -0.326 25817 2581 1 11 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.693 0.587 25817 2582 1 11 . 1 1 19 19 PHE H H 19 8.629 8.629 7.842 0.787 25817 2583 1 11 . 1 1 20 20 SER N N 20 114.851 114.851 115.352 -0.501 25817 2584 1 11 . 1 1 20 20 SER HA H 20 4.049 4.049 4.138 -0.089 25817 2585 1 11 . 1 1 20 20 SER C C 20 177.062 177.062 176.345 0.717 25817 2586 1 11 . 1 1 20 20 SER CA C 20 63.443 63.443 62.522 0.921 25817 2587 1 11 . 1 1 20 20 SER H H 20 8.588 8.588 8.441 0.147 25817 2588 1 11 . 1 1 21 21 LEU N N 21 124.926 124.926 123.657 1.269 25817 2589 1 11 . 1 1 21 21 LEU HA H 21 4.022 4.022 3.960 0.062 25817 2590 1 11 . 1 1 21 21 LEU C C 21 178.183 178.183 178.117 0.066 25817 2591 1 11 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.251 0.081 25817 2592 1 11 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.841 -0.070 25817 2593 1 11 . 1 1 21 21 LEU H H 21 8.194 8.194 7.694 0.500 25817 2594 1 11 . 1 1 22 22 ILE N N 22 119.416 119.416 118.854 0.562 25817 2595 1 11 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.568 0.044 25817 2596 1 11 . 1 1 22 22 ILE C C 22 178.539 178.539 178.174 0.365 25817 2597 1 11 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.422 0.539 25817 2598 1 11 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.353 0.510 25817 2599 1 11 . 1 1 22 22 ILE H H 22 8.173 8.173 7.804 0.369 25817 2600 1 11 . 1 1 23 23 VAL N N 23 119.631 119.631 120.714 -1.083 25817 2601 1 11 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.652 -0.301 25817 2602 1 11 . 1 1 23 23 VAL C C 23 177.480 177.480 178.146 -0.666 25817 2603 1 11 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.380 1.424 25817 2604 1 11 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.974 0.397 25817 2605 1 11 . 1 1 23 23 VAL H H 23 8.517 8.517 8.066 0.451 25817 2606 1 11 . 1 1 24 24 THR N N 24 115.196 115.196 117.380 -2.184 25817 2607 1 11 . 1 1 24 24 THR HA H 24 4.212 4.212 4.000 0.212 25817 2608 1 11 . 1 1 24 24 THR C C 24 176.559 176.559 176.475 0.084 25817 2609 1 11 . 1 1 24 24 THR CA C 24 68.061 68.061 66.806 1.255 25817 2610 1 11 . 1 1 24 24 THR H H 24 8.009 8.009 8.563 -0.554 25817 2611 1 11 . 1 1 25 25 TYR N N 25 121.989 121.989 123.864 -1.875 25817 2612 1 11 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.346 -0.311 25817 2613 1 11 . 1 1 25 25 TYR C C 25 177.742 177.742 177.188 0.554 25817 2614 1 11 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.083 1.405 25817 2615 1 11 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.475 0.291 25817 2616 1 11 . 1 1 25 25 TYR H H 25 8.447 8.447 8.363 0.084 25817 2617 1 11 . 1 1 26 26 CYS N N 26 117.031 117.031 118.254 -1.223 25817 2618 1 11 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.926 0.003 25817 2619 1 11 . 1 1 26 26 CYS C C 26 176.855 176.855 177.284 -0.429 25817 2620 1 11 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.204 0.173 25817 2621 1 11 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.708 0.583 25817 2622 1 11 . 1 1 26 26 CYS H H 26 8.456 8.456 8.036 0.420 25817 2623 1 11 . 1 1 27 27 ILE N N 27 118.019 118.019 120.872 -2.853 25817 2624 1 11 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.489 0.236 25817 2625 1 11 . 1 1 27 27 ILE C C 27 177.543 177.543 177.364 0.179 25817 2626 1 11 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.710 -1.054 25817 2627 1 11 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.790 -0.099 25817 2628 1 11 . 1 1 27 27 ILE H H 27 8.460 8.460 7.945 0.515 25817 2629 1 11 . 1 1 28 28 ASN N N 28 117.725 117.725 118.277 -0.552 25817 2630 1 11 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.259 0.207 25817 2631 1 11 . 1 1 28 28 ASN C C 28 176.330 176.330 177.158 -0.828 25817 2632 1 11 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.974 -0.920 25817 2633 1 11 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.148 1.421 25817 2634 1 11 . 1 1 28 28 ASN H H 28 7.933 7.933 7.932 0.001 25817 2635 1 11 . 1 1 29 29 ALA N N 29 120.930 120.930 122.917 -1.987 25817 2636 1 11 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.817 0.308 25817 2637 1 11 . 1 1 29 29 ALA C C 29 178.485 178.485 179.137 -0.652 25817 2638 1 11 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.084 -1.438 25817 2639 1 11 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.269 0.534 25817 2640 1 11 . 1 1 29 29 ALA H H 29 8.116 8.116 7.568 0.548 25817 2641 1 11 . 1 1 30 30 LYS N N 30 116.477 116.477 118.357 -1.880 25817 2642 1 11 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.957 0.336 25817 2643 1 11 . 1 1 30 30 LYS C C 30 176.352 176.352 178.574 -2.222 25817 2644 1 11 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.792 -2.891 25817 2645 1 11 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.247 -0.101 25817 2646 1 11 . 1 1 30 30 LYS H H 30 7.710 7.710 7.645 0.065 25817 2647 1 11 . 1 1 31 31 ALA N N 31 122.148 122.148 122.141 0.007 25817 2648 1 11 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.341 -0.108 25817 2649 1 11 . 1 1 31 31 ALA C C 31 177.308 177.308 179.730 -2.422 25817 2650 1 11 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.405 -1.063 25817 2651 1 11 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.248 0.220 25817 2652 1 11 . 1 1 31 31 ALA H H 31 7.881 7.881 7.893 -0.012 25817 2653 1 11 . 1 1 32 32 ASP N N 32 117.233 117.233 120.950 -3.717 25817 2654 1 11 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.486 0.042 25817 2655 1 11 . 1 1 32 32 ASP C C 32 176.069 176.069 179.083 -3.014 25817 2656 1 11 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.439 -2.666 25817 2657 1 11 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.117 0.103 25817 2658 1 11 . 1 1 32 32 ASP H H 32 8.251 8.251 8.648 -0.397 25817 2659 1 11 . 1 1 33 33 VAL N N 33 116.751 116.751 118.982 -2.231 25817 2660 1 11 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.814 0.287 25817 2661 1 11 . 1 1 33 33 VAL C C 33 175.474 175.474 176.962 -1.488 25817 2662 1 11 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.108 -2.490 25817 2663 1 11 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.765 1.042 25817 2664 1 11 . 1 1 33 33 VAL H H 33 7.647 7.647 7.825 -0.178 25817 2665 1 11 . 1 1 34 34 LEU N N 34 121.923 121.923 119.388 2.535 25817 2666 1 11 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.370 -0.106 25817 2667 1 11 . 1 1 34 34 LEU C C 34 176.502 176.502 176.152 0.350 25817 2668 1 11 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.112 0.191 25817 2669 1 11 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.694 -0.029 25817 2670 1 11 . 1 1 34 34 LEU H H 34 7.876 7.876 8.098 -0.222 25817 2671 1 11 . 1 1 35 35 PHE N N 35 118.600 118.600 120.553 -1.953 25817 2672 1 11 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.636 -0.041 25817 2673 1 11 . 1 1 35 35 PHE C C 35 175.009 175.009 174.928 0.081 25817 2674 1 11 . 1 1 35 35 PHE CA C 35 57.958 57.958 57.095 0.863 25817 2675 1 11 . 1 1 35 35 PHE CB C 35 39.289 39.289 40.057 -0.768 25817 2676 1 11 . 1 1 35 35 PHE H H 35 7.788 7.788 7.949 -0.161 25817 2677 1 11 . 1 1 36 36 ILE N N 36 119.235 119.235 119.719 -0.484 25817 2678 1 11 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.743 0.363 25817 2679 1 11 . 1 1 36 36 ILE C C 36 174.800 174.800 175.638 -0.838 25817 2680 1 11 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.232 -0.416 25817 2681 1 11 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.437 3.522 25817 2682 1 11 . 1 1 36 36 ILE H H 36 7.489 7.489 8.487 -0.998 25817 2683 1 11 . 1 1 37 37 ALA N N 37 126.894 126.894 124.791 2.103 25817 2684 1 11 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.199 0.324 25817 2685 1 11 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.782 -1.120 25817 2686 1 11 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.903 -0.518 25817 2687 1 11 . 1 1 37 37 ALA H H 37 7.923 7.923 8.113 -0.190 25817 2688 1 11 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.502 -0.096 25817 2689 1 11 . 1 1 38 38 PRO C C 38 176.806 176.806 175.860 0.946 25817 2690 1 11 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.857 0.125 25817 2691 1 11 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.227 -0.378 25817 2692 1 11 . 1 1 39 39 ARG N N 39 119.994 119.994 119.422 0.572 25817 2693 1 11 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.690 -0.390 25817 2694 1 11 . 1 1 39 39 ARG C C 39 175.960 175.960 174.658 1.302 25817 2695 1 11 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.063 0.745 25817 2696 1 11 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.686 -0.678 25817 2697 1 11 . 1 1 39 39 ARG H H 39 8.088 8.088 8.236 -0.148 25817 2698 1 11 . 1 1 40 40 GLU N N 40 122.023 122.023 121.304 0.719 25817 2699 1 11 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.782 -0.190 25817 2700 1 11 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.413 0.698 25817 2701 1 11 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.381 0.288 25817 2702 1 11 . 1 1 40 40 GLU H H 40 8.179 8.179 8.557 -0.378 25817 2703 1 11 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.116 0.279 25817 2704 1 11 . 1 1 41 41 PRO C C 41 177.650 177.650 177.082 0.568 25817 2705 1 11 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.381 -0.660 25817 2706 1 11 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.646 0.148 25817 2707 1 11 . 1 1 42 42 GLY N N 42 108.968 108.968 110.805 -1.837 25817 2708 1 11 . 1 1 42 42 GLY C C 42 173.943 173.943 174.747 -0.804 25817 2709 1 11 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.696 0.612 25817 2710 1 11 . 1 1 42 42 GLY H H 42 8.387 8.387 8.423 -0.036 25817 2711 1 11 . 1 1 43 43 ALA N N 43 123.557 123.557 125.459 -1.902 25817 2712 1 11 . 1 1 43 43 ALA HA H 43 4.320 4.320 3.858 0.462 25817 2713 1 11 . 1 1 43 43 ALA C C 43 177.613 177.613 176.928 0.685 25817 2714 1 11 . 1 1 43 43 ALA CA C 43 52.536 52.536 54.319 -1.783 25817 2715 1 11 . 1 1 43 43 ALA CB C 43 19.258 19.258 17.971 1.288 25817 2716 1 11 . 1 1 43 43 ALA H H 43 7.963 7.963 8.181 -0.218 25817 2717 1 11 . 1 1 44 44 VAL N N 44 118.502 118.502 119.968 -1.466 25817 2718 1 11 . 1 1 44 44 VAL HA H 44 4.105 4.105 4.287 -0.182 25817 2719 1 11 . 1 1 44 44 VAL C C 44 175.735 175.735 175.060 0.675 25817 2720 1 11 . 1 1 44 44 VAL CA C 44 62.019 62.019 62.068 -0.049 25817 2721 1 11 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.984 -0.083 25817 2722 1 11 . 1 1 44 44 VAL H H 44 7.940 7.940 8.073 -0.133 25817 2723 1 11 . 1 1 45 45 SER N N 45 119.252 119.252 121.054 -1.802 25817 2724 1 11 . 1 1 45 45 SER HA H 45 4.438 4.438 4.474 -0.036 25817 2725 1 11 . 1 1 45 45 SER C C 45 172.924 172.924 173.649 -0.725 25817 2726 1 11 . 1 1 45 45 SER CA C 45 57.844 57.844 58.258 -0.414 25817 2727 1 11 . 1 1 45 45 SER CB C 45 64.261 64.261 64.194 0.067 25817 2728 1 11 . 1 1 45 45 SER H H 45 8.082 8.082 8.549 -0.467 25817 2729 1 12 . 1 1 2 2 SER N N 2 114.638 114.638 115.552 -0.914 25817 2730 1 12 . 1 1 2 2 SER HA H 2 4.435 4.435 4.212 0.223 25817 2731 1 12 . 1 1 2 2 SER C C 2 174.655 174.655 176.068 -1.413 25817 2732 1 12 . 1 1 2 2 SER CA C 2 58.287 58.287 60.851 -2.564 25817 2733 1 12 . 1 1 2 2 SER CB C 2 64.193 64.193 62.894 1.299 25817 2734 1 12 . 1 1 2 2 SER H H 2 8.068 8.068 8.587 -0.519 25817 2735 1 12 . 1 1 3 3 LYS N N 3 122.754 122.754 121.003 1.751 25817 2736 1 12 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.140 0.066 25817 2737 1 12 . 1 1 3 3 LYS C C 3 177.164 177.164 178.980 -1.816 25817 2738 1 12 . 1 1 3 3 LYS CA C 3 58.053 58.053 58.828 -0.775 25817 2739 1 12 . 1 1 3 3 LYS CB C 3 32.028 32.028 31.740 0.288 25817 2740 1 12 . 1 1 3 3 LYS H H 3 8.368 8.368 8.591 -0.223 25817 2741 1 12 . 1 1 4 4 GLU N N 4 118.462 118.462 119.685 -1.223 25817 2742 1 12 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.076 -0.038 25817 2743 1 12 . 1 1 4 4 GLU C C 4 177.164 177.164 179.132 -1.968 25817 2744 1 12 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.441 -0.156 25817 2745 1 12 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.259 -0.494 25817 2746 1 12 . 1 1 4 4 GLU H H 4 8.411 8.411 8.280 0.131 25817 2747 1 12 . 1 1 5 5 LEU N N 5 119.346 119.346 120.138 -0.792 25817 2748 1 12 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.957 0.219 25817 2749 1 12 . 1 1 5 5 LEU C C 5 179.105 179.105 178.615 0.490 25817 2750 1 12 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.261 -1.186 25817 2751 1 12 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.949 -0.103 25817 2752 1 12 . 1 1 5 5 LEU H H 5 7.879 7.879 7.858 0.021 25817 2753 1 12 . 1 1 6 6 GLU N N 6 120.818 120.818 120.038 0.780 25817 2754 1 12 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.966 0.010 25817 2755 1 12 . 1 1 6 6 GLU C C 6 177.071 177.071 179.316 -2.245 25817 2756 1 12 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.620 -0.369 25817 2757 1 12 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.724 -1.296 25817 2758 1 12 . 1 1 6 6 GLU H H 6 8.349 8.349 8.105 0.244 25817 2759 1 12 . 1 1 7 7 LEU N N 7 118.820 118.820 120.212 -1.392 25817 2760 1 12 . 1 1 7 7 LEU HA H 7 4.094 4.094 4.015 0.079 25817 2761 1 12 . 1 1 7 7 LEU C C 7 179.724 179.724 179.101 0.623 25817 2762 1 12 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.024 0.004 25817 2763 1 12 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.038 -0.132 25817 2764 1 12 . 1 1 7 7 LEU H H 7 8.219 8.219 8.219 0.000 25817 2765 1 12 . 1 1 8 8 ILE N N 8 120.124 120.124 119.945 0.179 25817 2766 1 12 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.616 0.105 25817 2767 1 12 . 1 1 8 8 ILE C C 8 176.524 176.524 178.197 -1.673 25817 2768 1 12 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.196 -0.095 25817 2769 1 12 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.900 1.154 25817 2770 1 12 . 1 1 8 8 ILE H H 8 8.336 8.336 7.883 0.453 25817 2771 1 12 . 1 1 9 9 THR N N 9 116.052 116.052 117.156 -1.104 25817 2772 1 12 . 1 1 9 9 THR HA H 9 4.204 4.204 3.915 0.289 25817 2773 1 12 . 1 1 9 9 THR C C 9 176.094 176.094 176.868 -0.774 25817 2774 1 12 . 1 1 9 9 THR CA C 9 67.399 67.399 67.227 0.172 25817 2775 1 12 . 1 1 9 9 THR H H 9 7.900 7.900 8.068 -0.168 25817 2776 1 12 . 1 1 10 10 LEU N N 10 119.799 119.799 121.538 -1.739 25817 2777 1 12 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.947 0.028 25817 2778 1 12 . 1 1 10 10 LEU C C 10 177.752 177.752 178.896 -1.144 25817 2779 1 12 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.264 0.013 25817 2780 1 12 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.801 0.579 25817 2781 1 12 . 1 1 10 10 LEU H H 10 8.045 8.045 7.668 0.377 25817 2782 1 12 . 1 1 11 11 THR N N 11 114.472 114.472 116.341 -1.869 25817 2783 1 12 . 1 1 11 11 THR HA H 11 4.200 4.200 4.035 0.165 25817 2784 1 12 . 1 1 11 11 THR C C 11 176.296 176.296 176.812 -0.516 25817 2785 1 12 . 1 1 11 11 THR CA C 11 68.061 68.061 67.268 0.793 25817 2786 1 12 . 1 1 11 11 THR H H 11 7.904 7.904 8.156 -0.252 25817 2787 1 12 . 1 1 12 12 VAL N N 12 120.338 120.338 121.345 -1.007 25817 2788 1 12 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.580 -0.018 25817 2789 1 12 . 1 1 12 12 VAL C C 12 177.759 177.759 177.920 -0.161 25817 2790 1 12 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.878 0.046 25817 2791 1 12 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.416 0.150 25817 2792 1 12 . 1 1 12 12 VAL H H 12 8.297 8.297 8.522 -0.225 25817 2793 1 12 . 1 1 13 13 GLY N N 13 106.329 106.329 107.865 -1.536 25817 2794 1 12 . 1 1 13 13 GLY C C 13 174.383 174.383 175.786 -1.403 25817 2795 1 12 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.312 0.441 25817 2796 1 12 . 1 1 13 13 GLY H H 13 8.519 8.519 8.154 0.365 25817 2797 1 12 . 1 1 14 14 PHE N N 14 120.488 120.488 123.292 -2.804 25817 2798 1 12 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.156 0.044 25817 2799 1 12 . 1 1 14 14 PHE C C 14 177.591 177.591 177.499 0.092 25817 2800 1 12 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.947 0.675 25817 2801 1 12 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.058 -0.142 25817 2802 1 12 . 1 1 14 14 PHE H H 14 8.641 8.641 8.525 0.116 25817 2803 1 12 . 1 1 15 15 GLY N N 15 106.569 106.569 107.380 -0.811 25817 2804 1 12 . 1 1 15 15 GLY C C 15 174.533 174.533 175.986 -1.453 25817 2805 1 12 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.282 0.350 25817 2806 1 12 . 1 1 15 15 GLY H H 15 8.573 8.573 8.501 0.072 25817 2807 1 12 . 1 1 16 16 ILE N N 16 120.720 120.720 122.870 -2.150 25817 2808 1 12 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.756 -0.131 25817 2809 1 12 . 1 1 16 16 ILE C C 16 178.658 178.658 177.549 1.109 25817 2810 1 12 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.737 0.693 25817 2811 1 12 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.075 -0.887 25817 2812 1 12 . 1 1 16 16 ILE H H 16 8.573 8.573 7.841 0.732 25817 2813 1 12 . 1 1 17 17 LEU N N 17 123.135 123.135 120.970 2.165 25817 2814 1 12 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.917 0.036 25817 2815 1 12 . 1 1 17 17 LEU C C 17 178.226 178.226 178.929 -0.703 25817 2816 1 12 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.785 0.132 25817 2817 1 12 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.389 0.157 25817 2818 1 12 . 1 1 17 17 LEU H H 17 8.191 8.191 8.234 -0.043 25817 2819 1 12 . 1 1 18 18 ILE N N 18 117.937 117.937 119.336 -1.399 25817 2820 1 12 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.416 0.147 25817 2821 1 12 . 1 1 18 18 ILE C C 18 177.812 177.812 177.674 0.138 25817 2822 1 12 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.542 -0.872 25817 2823 1 12 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.584 -1.072 25817 2824 1 12 . 1 1 18 18 ILE H H 18 8.455 8.455 7.443 1.012 25817 2825 1 12 . 1 1 19 19 PHE N N 19 119.250 119.250 119.935 -0.685 25817 2826 1 12 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.957 0.140 25817 2827 1 12 . 1 1 19 19 PHE C C 19 177.133 177.133 177.747 -0.614 25817 2828 1 12 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.235 -0.333 25817 2829 1 12 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.010 0.270 25817 2830 1 12 . 1 1 19 19 PHE H H 19 8.629 8.629 7.724 0.905 25817 2831 1 12 . 1 1 20 20 SER N N 20 114.851 114.851 115.408 -0.557 25817 2832 1 12 . 1 1 20 20 SER HA H 20 4.049 4.049 4.153 -0.104 25817 2833 1 12 . 1 1 20 20 SER C C 20 177.062 177.062 176.709 0.353 25817 2834 1 12 . 1 1 20 20 SER CA C 20 63.443 63.443 62.091 1.352 25817 2835 1 12 . 1 1 20 20 SER H H 20 8.588 8.588 8.647 -0.059 25817 2836 1 12 . 1 1 21 21 LEU N N 21 124.926 124.926 123.704 1.222 25817 2837 1 12 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.024 -0.002 25817 2838 1 12 . 1 1 21 21 LEU C C 21 178.183 178.183 178.198 -0.015 25817 2839 1 12 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.348 -0.017 25817 2840 1 12 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.024 -0.253 25817 2841 1 12 . 1 1 21 21 LEU H H 21 8.194 8.194 7.940 0.254 25817 2842 1 12 . 1 1 22 22 ILE N N 22 119.416 119.416 118.716 0.700 25817 2843 1 12 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.530 0.082 25817 2844 1 12 . 1 1 22 22 ILE C C 22 178.539 178.539 178.220 0.319 25817 2845 1 12 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.327 0.634 25817 2846 1 12 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.353 0.511 25817 2847 1 12 . 1 1 22 22 ILE H H 22 8.173 8.173 7.973 0.200 25817 2848 1 12 . 1 1 23 23 VAL N N 23 119.631 119.631 120.574 -0.943 25817 2849 1 12 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.644 -0.293 25817 2850 1 12 . 1 1 23 23 VAL C C 23 177.480 177.480 177.774 -0.294 25817 2851 1 12 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.773 1.030 25817 2852 1 12 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.225 0.146 25817 2853 1 12 . 1 1 23 23 VAL H H 23 8.517 8.517 7.511 1.006 25817 2854 1 12 . 1 1 24 24 THR N N 24 115.196 115.196 117.662 -2.466 25817 2855 1 12 . 1 1 24 24 THR HA H 24 4.212 4.212 3.903 0.309 25817 2856 1 12 . 1 1 24 24 THR C C 24 176.559 176.559 176.544 0.015 25817 2857 1 12 . 1 1 24 24 THR CA C 24 68.061 68.061 67.115 0.946 25817 2858 1 12 . 1 1 24 24 THR H H 24 8.009 8.009 8.111 -0.102 25817 2859 1 12 . 1 1 25 25 TYR N N 25 121.989 121.989 122.738 -0.749 25817 2860 1 12 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.152 -0.117 25817 2861 1 12 . 1 1 25 25 TYR C C 25 177.742 177.742 177.058 0.684 25817 2862 1 12 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.377 0.111 25817 2863 1 12 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.482 0.284 25817 2864 1 12 . 1 1 25 25 TYR H H 25 8.447 8.447 8.586 -0.139 25817 2865 1 12 . 1 1 26 26 CYS N N 26 117.031 117.031 118.535 -1.504 25817 2866 1 12 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.958 -0.029 25817 2867 1 12 . 1 1 26 26 CYS C C 26 176.855 176.855 177.061 -0.206 25817 2868 1 12 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.586 -0.209 25817 2869 1 12 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.572 -0.281 25817 2870 1 12 . 1 1 26 26 CYS H H 26 8.456 8.456 7.772 0.684 25817 2871 1 12 . 1 1 27 27 ILE N N 27 118.019 118.019 120.633 -2.614 25817 2872 1 12 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.514 0.211 25817 2873 1 12 . 1 1 27 27 ILE C C 27 177.543 177.543 177.738 -0.195 25817 2874 1 12 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.730 -1.075 25817 2875 1 12 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.727 -0.036 25817 2876 1 12 . 1 1 27 27 ILE H H 27 8.460 8.460 7.826 0.634 25817 2877 1 12 . 1 1 28 28 ASN N N 28 117.725 117.725 118.633 -0.908 25817 2878 1 12 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.369 0.097 25817 2879 1 12 . 1 1 28 28 ASN C C 28 176.330 176.330 177.415 -1.085 25817 2880 1 12 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.110 -0.056 25817 2881 1 12 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.800 1.769 25817 2882 1 12 . 1 1 28 28 ASN H H 28 7.933 7.933 7.977 -0.044 25817 2883 1 12 . 1 1 29 29 ALA N N 29 120.930 120.930 123.156 -2.226 25817 2884 1 12 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.852 0.273 25817 2885 1 12 . 1 1 29 29 ALA C C 29 178.485 178.485 179.573 -1.088 25817 2886 1 12 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.137 -1.491 25817 2887 1 12 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.046 0.757 25817 2888 1 12 . 1 1 29 29 ALA H H 29 8.116 8.116 8.232 -0.116 25817 2889 1 12 . 1 1 30 30 LYS N N 30 116.477 116.477 118.652 -2.175 25817 2890 1 12 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.921 0.372 25817 2891 1 12 . 1 1 30 30 LYS C C 30 176.352 176.352 178.788 -2.436 25817 2892 1 12 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.412 -3.511 25817 2893 1 12 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.292 -0.146 25817 2894 1 12 . 1 1 30 30 LYS H H 30 7.710 7.710 7.982 -0.272 25817 2895 1 12 . 1 1 31 31 ALA N N 31 122.148 122.148 121.975 0.173 25817 2896 1 12 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.147 0.086 25817 2897 1 12 . 1 1 31 31 ALA C C 31 177.308 177.308 179.868 -2.560 25817 2898 1 12 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.259 -1.917 25817 2899 1 12 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.198 1.270 25817 2900 1 12 . 1 1 31 31 ALA H H 31 7.881 7.881 7.914 -0.033 25817 2901 1 12 . 1 1 32 32 ASP N N 32 117.233 117.233 119.365 -2.132 25817 2902 1 12 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.402 0.126 25817 2903 1 12 . 1 1 32 32 ASP C C 32 176.069 176.069 178.507 -2.438 25817 2904 1 12 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.604 -2.831 25817 2905 1 12 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.258 -0.038 25817 2906 1 12 . 1 1 32 32 ASP H H 32 8.251 8.251 8.069 0.182 25817 2907 1 12 . 1 1 33 33 VAL N N 33 116.751 116.751 119.956 -3.205 25817 2908 1 12 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.756 0.346 25817 2909 1 12 . 1 1 33 33 VAL C C 33 175.474 175.474 177.947 -2.473 25817 2910 1 12 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.832 -3.214 25817 2911 1 12 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.748 1.059 25817 2912 1 12 . 1 1 33 33 VAL H H 33 7.647 7.647 7.806 -0.159 25817 2913 1 12 . 1 1 34 34 LEU N N 34 121.923 121.923 119.892 2.031 25817 2914 1 12 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.763 0.501 25817 2915 1 12 . 1 1 34 34 LEU C C 34 176.502 176.502 177.335 -0.833 25817 2916 1 12 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.712 -2.409 25817 2917 1 12 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.935 0.730 25817 2918 1 12 . 1 1 34 34 LEU H H 34 7.876 7.876 7.991 -0.115 25817 2919 1 12 . 1 1 35 35 PHE N N 35 118.600 118.600 116.223 2.377 25817 2920 1 12 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.608 -0.013 25817 2921 1 12 . 1 1 35 35 PHE C C 35 175.009 175.009 174.689 0.320 25817 2922 1 12 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.517 1.441 25817 2923 1 12 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.462 0.827 25817 2924 1 12 . 1 1 35 35 PHE H H 35 7.788 7.788 7.559 0.229 25817 2925 1 12 . 1 1 36 36 ILE N N 36 119.235 119.235 121.579 -2.344 25817 2926 1 12 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.727 0.379 25817 2927 1 12 . 1 1 36 36 ILE C C 36 174.800 174.800 176.002 -1.202 25817 2928 1 12 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.082 -0.266 25817 2929 1 12 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.768 4.191 25817 2930 1 12 . 1 1 36 36 ILE H H 36 7.489 7.489 8.035 -0.546 25817 2931 1 12 . 1 1 37 37 ALA N N 37 126.894 126.894 128.370 -1.476 25817 2932 1 12 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.224 0.299 25817 2933 1 12 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.518 -0.856 25817 2934 1 12 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.739 -0.354 25817 2935 1 12 . 1 1 37 37 ALA H H 37 7.923 7.923 8.348 -0.425 25817 2936 1 12 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.248 0.158 25817 2937 1 12 . 1 1 38 38 PRO C C 38 176.806 176.806 176.010 0.796 25817 2938 1 12 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.671 -0.689 25817 2939 1 12 . 1 1 38 38 PRO CB C 38 31.849 31.849 31.819 0.031 25817 2940 1 12 . 1 1 39 39 ARG N N 39 119.994 119.994 122.272 -2.278 25817 2941 1 12 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.488 -0.188 25817 2942 1 12 . 1 1 39 39 ARG C C 39 175.960 175.960 175.115 0.845 25817 2943 1 12 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.708 0.100 25817 2944 1 12 . 1 1 39 39 ARG CB C 39 31.008 31.008 30.999 0.009 25817 2945 1 12 . 1 1 39 39 ARG H H 39 8.088 8.088 8.349 -0.261 25817 2946 1 12 . 1 1 40 40 GLU N N 40 122.023 122.023 124.153 -2.130 25817 2947 1 12 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.690 -0.098 25817 2948 1 12 . 1 1 40 40 GLU CA C 40 54.111 54.111 52.200 1.911 25817 2949 1 12 . 1 1 40 40 GLU CB C 40 29.669 29.669 28.614 1.055 25817 2950 1 12 . 1 1 40 40 GLU H H 40 8.179 8.179 8.519 -0.340 25817 2951 1 12 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.163 0.232 25817 2952 1 12 . 1 1 41 41 PRO C C 41 177.650 177.650 177.490 0.160 25817 2953 1 12 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.604 0.117 25817 2954 1 12 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.959 0.835 25817 2955 1 12 . 1 1 42 42 GLY N N 42 108.968 108.968 111.606 -2.638 25817 2956 1 12 . 1 1 42 42 GLY C C 42 173.943 173.943 174.752 -0.809 25817 2957 1 12 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.418 -0.111 25817 2958 1 12 . 1 1 42 42 GLY H H 42 8.387 8.387 8.419 -0.032 25817 2959 1 12 . 1 1 43 43 ALA N N 43 123.557 123.557 118.277 5.280 25817 2960 1 12 . 1 1 43 43 ALA HA H 43 4.320 4.320 3.804 0.516 25817 2961 1 12 . 1 1 43 43 ALA C C 43 177.613 177.613 177.042 0.571 25817 2962 1 12 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.913 -1.377 25817 2963 1 12 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.284 0.974 25817 2964 1 12 . 1 1 43 43 ALA H H 43 7.963 7.963 7.947 0.016 25817 2965 1 12 . 1 1 44 44 VAL N N 44 118.502 118.502 116.789 1.713 25817 2966 1 12 . 1 1 44 44 VAL HA H 44 4.105 4.105 4.219 -0.114 25817 2967 1 12 . 1 1 44 44 VAL C C 44 175.735 175.735 176.896 -1.161 25817 2968 1 12 . 1 1 44 44 VAL CA C 44 62.019 62.019 63.817 -1.798 25817 2969 1 12 . 1 1 44 44 VAL CB C 44 32.901 32.901 33.041 -0.140 25817 2970 1 12 . 1 1 44 44 VAL H H 44 7.940 7.940 8.184 -0.244 25817 2971 1 12 . 1 1 45 45 SER N N 45 119.252 119.252 115.291 3.961 25817 2972 1 12 . 1 1 45 45 SER HA H 45 4.438 4.438 4.702 -0.264 25817 2973 1 12 . 1 1 45 45 SER C C 45 172.924 172.924 173.109 -0.185 25817 2974 1 12 . 1 1 45 45 SER CA C 45 57.844 57.844 58.816 -0.972 25817 2975 1 12 . 1 1 45 45 SER CB C 45 64.261 64.261 64.452 -0.191 25817 2976 1 12 . 1 1 45 45 SER H H 45 8.082 8.082 7.658 0.424 25817 2977 1 13 . 1 1 2 2 SER N N 2 114.638 114.638 116.381 -1.743 25817 2978 1 13 . 1 1 2 2 SER HA H 2 4.435 4.435 4.269 0.166 25817 2979 1 13 . 1 1 2 2 SER C C 2 174.655 174.655 176.293 -1.638 25817 2980 1 13 . 1 1 2 2 SER CA C 2 58.287 58.287 60.199 -1.912 25817 2981 1 13 . 1 1 2 2 SER CB C 2 64.193 64.193 62.984 1.209 25817 2982 1 13 . 1 1 2 2 SER H H 2 8.068 8.068 8.495 -0.427 25817 2983 1 13 . 1 1 3 3 LYS N N 3 122.754 122.754 121.340 1.414 25817 2984 1 13 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.075 0.131 25817 2985 1 13 . 1 1 3 3 LYS C C 3 177.164 177.164 178.564 -1.400 25817 2986 1 13 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.359 -1.306 25817 2987 1 13 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.208 -0.180 25817 2988 1 13 . 1 1 3 3 LYS H H 3 8.368 8.368 8.406 -0.038 25817 2989 1 13 . 1 1 4 4 GLU N N 4 118.462 118.462 118.660 -0.198 25817 2990 1 13 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.072 -0.034 25817 2991 1 13 . 1 1 4 4 GLU C C 4 177.164 177.164 178.882 -1.718 25817 2992 1 13 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.474 -0.189 25817 2993 1 13 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.357 -0.592 25817 2994 1 13 . 1 1 4 4 GLU H H 4 8.411 8.411 8.355 0.056 25817 2995 1 13 . 1 1 5 5 LEU N N 5 119.346 119.346 120.017 -0.671 25817 2996 1 13 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.935 0.241 25817 2997 1 13 . 1 1 5 5 LEU C C 5 179.105 179.105 178.738 0.367 25817 2998 1 13 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.201 -1.126 25817 2999 1 13 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.962 -0.116 25817 3000 1 13 . 1 1 5 5 LEU H H 5 7.879 7.879 7.875 0.004 25817 3001 1 13 . 1 1 6 6 GLU N N 6 120.818 120.818 120.057 0.761 25817 3002 1 13 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.993 -0.017 25817 3003 1 13 . 1 1 6 6 GLU C C 6 177.071 177.071 179.228 -2.157 25817 3004 1 13 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.490 -0.239 25817 3005 1 13 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.776 -1.348 25817 3006 1 13 . 1 1 6 6 GLU H H 6 8.349 8.349 7.927 0.422 25817 3007 1 13 . 1 1 7 7 LEU N N 7 118.820 118.820 120.027 -1.207 25817 3008 1 13 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.956 0.138 25817 3009 1 13 . 1 1 7 7 LEU C C 7 179.724 179.724 179.175 0.549 25817 3010 1 13 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.127 -0.099 25817 3011 1 13 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.934 -0.029 25817 3012 1 13 . 1 1 7 7 LEU H H 7 8.219 8.219 8.113 0.106 25817 3013 1 13 . 1 1 8 8 ILE N N 8 120.124 120.124 119.973 0.151 25817 3014 1 13 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.522 0.199 25817 3015 1 13 . 1 1 8 8 ILE C C 8 176.524 176.524 177.953 -1.429 25817 3016 1 13 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.919 -0.818 25817 3017 1 13 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.552 0.502 25817 3018 1 13 . 1 1 8 8 ILE H H 8 8.336 8.336 8.119 0.217 25817 3019 1 13 . 1 1 9 9 THR N N 9 116.052 116.052 116.837 -0.785 25817 3020 1 13 . 1 1 9 9 THR HA H 9 4.204 4.204 3.902 0.302 25817 3021 1 13 . 1 1 9 9 THR C C 9 176.094 176.094 176.885 -0.791 25817 3022 1 13 . 1 1 9 9 THR CA C 9 67.399 67.399 67.248 0.151 25817 3023 1 13 . 1 1 9 9 THR H H 9 7.900 7.900 7.771 0.129 25817 3024 1 13 . 1 1 10 10 LEU N N 10 119.799 119.799 121.876 -2.077 25817 3025 1 13 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.108 -0.133 25817 3026 1 13 . 1 1 10 10 LEU C C 10 177.752 177.752 178.877 -1.125 25817 3027 1 13 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.306 -0.029 25817 3028 1 13 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.565 0.815 25817 3029 1 13 . 1 1 10 10 LEU H H 10 8.045 8.045 7.907 0.138 25817 3030 1 13 . 1 1 11 11 THR N N 11 114.472 114.472 116.762 -2.290 25817 3031 1 13 . 1 1 11 11 THR HA H 11 4.200 4.200 3.997 0.203 25817 3032 1 13 . 1 1 11 11 THR C C 11 176.296 176.296 177.048 -0.752 25817 3033 1 13 . 1 1 11 11 THR CA C 11 68.061 68.061 66.955 1.106 25817 3034 1 13 . 1 1 11 11 THR H H 11 7.904 7.904 8.316 -0.412 25817 3035 1 13 . 1 1 12 12 VAL N N 12 120.338 120.338 120.832 -0.494 25817 3036 1 13 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.745 -0.183 25817 3037 1 13 . 1 1 12 12 VAL C C 12 177.759 177.759 177.992 -0.233 25817 3038 1 13 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.486 0.438 25817 3039 1 13 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.193 0.373 25817 3040 1 13 . 1 1 12 12 VAL H H 12 8.297 8.297 8.279 0.018 25817 3041 1 13 . 1 1 13 13 GLY N N 13 106.329 106.329 108.527 -2.198 25817 3042 1 13 . 1 1 13 13 GLY C C 13 174.383 174.383 175.955 -1.572 25817 3043 1 13 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.553 0.200 25817 3044 1 13 . 1 1 13 13 GLY H H 13 8.519 8.519 8.091 0.428 25817 3045 1 13 . 1 1 14 14 PHE N N 14 120.488 120.488 123.079 -2.591 25817 3046 1 13 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.229 -0.029 25817 3047 1 13 . 1 1 14 14 PHE C C 14 177.591 177.591 177.450 0.141 25817 3048 1 13 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.696 0.926 25817 3049 1 13 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.029 -0.112 25817 3050 1 13 . 1 1 14 14 PHE H H 14 8.641 8.641 8.509 0.132 25817 3051 1 13 . 1 1 15 15 GLY N N 15 106.569 106.569 107.875 -1.306 25817 3052 1 13 . 1 1 15 15 GLY C C 15 174.533 174.533 176.321 -1.788 25817 3053 1 13 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.351 0.281 25817 3054 1 13 . 1 1 15 15 GLY H H 15 8.573 8.573 8.111 0.462 25817 3055 1 13 . 1 1 16 16 ILE N N 16 120.720 120.720 122.973 -2.253 25817 3056 1 13 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.842 -0.217 25817 3057 1 13 . 1 1 16 16 ILE C C 16 178.658 178.658 177.744 0.914 25817 3058 1 13 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.288 1.142 25817 3059 1 13 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.425 -0.237 25817 3060 1 13 . 1 1 16 16 ILE H H 16 8.573 8.573 8.500 0.073 25817 3061 1 13 . 1 1 17 17 LEU N N 17 123.135 123.135 121.209 1.926 25817 3062 1 13 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.887 0.066 25817 3063 1 13 . 1 1 17 17 LEU C C 17 178.226 178.226 179.070 -0.844 25817 3064 1 13 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.455 0.462 25817 3065 1 13 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.780 -0.234 25817 3066 1 13 . 1 1 17 17 LEU H H 17 8.191 8.191 8.066 0.125 25817 3067 1 13 . 1 1 18 18 ILE N N 18 117.937 117.937 119.800 -1.863 25817 3068 1 13 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.386 0.177 25817 3069 1 13 . 1 1 18 18 ILE C C 18 177.812 177.812 177.703 0.109 25817 3070 1 13 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.673 -1.003 25817 3071 1 13 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.667 -1.155 25817 3072 1 13 . 1 1 18 18 ILE H H 18 8.455 8.455 7.752 0.703 25817 3073 1 13 . 1 1 19 19 PHE N N 19 119.250 119.250 119.233 0.017 25817 3074 1 13 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.983 0.114 25817 3075 1 13 . 1 1 19 19 PHE C C 19 177.133 177.133 178.068 -0.935 25817 3076 1 13 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.459 -0.557 25817 3077 1 13 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.714 0.566 25817 3078 1 13 . 1 1 19 19 PHE H H 19 8.629 8.629 7.949 0.680 25817 3079 1 13 . 1 1 20 20 SER N N 20 114.851 114.851 114.583 0.268 25817 3080 1 13 . 1 1 20 20 SER HA H 20 4.049 4.049 4.172 -0.123 25817 3081 1 13 . 1 1 20 20 SER C C 20 177.062 177.062 176.444 0.618 25817 3082 1 13 . 1 1 20 20 SER CA C 20 63.443 63.443 61.779 1.664 25817 3083 1 13 . 1 1 20 20 SER H H 20 8.588 8.588 8.541 0.047 25817 3084 1 13 . 1 1 21 21 LEU N N 21 124.926 124.926 123.288 1.638 25817 3085 1 13 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.090 -0.068 25817 3086 1 13 . 1 1 21 21 LEU C C 21 178.183 178.183 178.324 -0.141 25817 3087 1 13 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.962 0.369 25817 3088 1 13 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.845 -0.074 25817 3089 1 13 . 1 1 21 21 LEU H H 21 8.194 8.194 7.966 0.228 25817 3090 1 13 . 1 1 22 22 ILE N N 22 119.416 119.416 118.753 0.663 25817 3091 1 13 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.562 0.050 25817 3092 1 13 . 1 1 22 22 ILE C C 22 178.539 178.539 178.141 0.398 25817 3093 1 13 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.513 0.448 25817 3094 1 13 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.314 0.550 25817 3095 1 13 . 1 1 22 22 ILE H H 22 8.173 8.173 8.156 0.017 25817 3096 1 13 . 1 1 23 23 VAL N N 23 119.631 119.631 120.411 -0.780 25817 3097 1 13 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.722 -0.371 25817 3098 1 13 . 1 1 23 23 VAL C C 23 177.480 177.480 178.356 -0.876 25817 3099 1 13 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.000 0.804 25817 3100 1 13 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.085 0.286 25817 3101 1 13 . 1 1 23 23 VAL H H 23 8.517 8.517 7.934 0.583 25817 3102 1 13 . 1 1 24 24 THR N N 24 115.196 115.196 117.217 -2.021 25817 3103 1 13 . 1 1 24 24 THR HA H 24 4.212 4.212 4.019 0.193 25817 3104 1 13 . 1 1 24 24 THR C C 24 176.559 176.559 176.450 0.109 25817 3105 1 13 . 1 1 24 24 THR CA C 24 68.061 68.061 66.605 1.456 25817 3106 1 13 . 1 1 24 24 THR H H 24 8.009 8.009 8.130 -0.121 25817 3107 1 13 . 1 1 25 25 TYR N N 25 121.989 121.989 123.562 -1.573 25817 3108 1 13 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.169 -0.134 25817 3109 1 13 . 1 1 25 25 TYR C C 25 177.742 177.742 177.162 0.580 25817 3110 1 13 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.017 0.471 25817 3111 1 13 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.366 0.400 25817 3112 1 13 . 1 1 25 25 TYR H H 25 8.447 8.447 8.669 -0.222 25817 3113 1 13 . 1 1 26 26 CYS N N 26 117.031 117.031 117.898 -0.867 25817 3114 1 13 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.916 0.013 25817 3115 1 13 . 1 1 26 26 CYS C C 26 176.855 176.855 177.277 -0.422 25817 3116 1 13 . 1 1 26 26 CYS CA C 26 64.377 64.377 62.895 1.482 25817 3117 1 13 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.309 0.982 25817 3118 1 13 . 1 1 26 26 CYS H H 26 8.456 8.456 7.934 0.522 25817 3119 1 13 . 1 1 27 27 ILE N N 27 118.019 118.019 120.928 -2.909 25817 3120 1 13 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.553 0.172 25817 3121 1 13 . 1 1 27 27 ILE C C 27 177.543 177.543 178.007 -0.464 25817 3122 1 13 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.429 -0.774 25817 3123 1 13 . 1 1 27 27 ILE CB C 27 37.691 37.691 36.932 0.759 25817 3124 1 13 . 1 1 27 27 ILE H H 27 8.460 8.460 7.923 0.537 25817 3125 1 13 . 1 1 28 28 ASN N N 28 117.725 117.725 118.250 -0.525 25817 3126 1 13 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.318 0.148 25817 3127 1 13 . 1 1 28 28 ASN C C 28 176.330 176.330 177.485 -1.155 25817 3128 1 13 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.207 -0.153 25817 3129 1 13 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.549 1.020 25817 3130 1 13 . 1 1 28 28 ASN H H 28 7.933 7.933 8.020 -0.087 25817 3131 1 13 . 1 1 29 29 ALA N N 29 120.930 120.930 123.671 -2.741 25817 3132 1 13 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.845 0.280 25817 3133 1 13 . 1 1 29 29 ALA C C 29 178.485 178.485 179.250 -0.765 25817 3134 1 13 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.074 -1.428 25817 3135 1 13 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.100 0.703 25817 3136 1 13 . 1 1 29 29 ALA H H 29 8.116 8.116 7.975 0.141 25817 3137 1 13 . 1 1 30 30 LYS N N 30 116.477 116.477 118.712 -2.235 25817 3138 1 13 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.895 0.398 25817 3139 1 13 . 1 1 30 30 LYS C C 30 176.352 176.352 178.823 -2.471 25817 3140 1 13 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.560 -3.659 25817 3141 1 13 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.319 -0.173 25817 3142 1 13 . 1 1 30 30 LYS H H 30 7.710 7.710 8.010 -0.300 25817 3143 1 13 . 1 1 31 31 ALA N N 31 122.148 122.148 121.936 0.212 25817 3144 1 13 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.144 0.089 25817 3145 1 13 . 1 1 31 31 ALA C C 31 177.308 177.308 179.801 -2.493 25817 3146 1 13 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.262 -1.920 25817 3147 1 13 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.175 1.293 25817 3148 1 13 . 1 1 31 31 ALA H H 31 7.881 7.881 7.854 0.027 25817 3149 1 13 . 1 1 32 32 ASP N N 32 117.233 117.233 119.291 -2.058 25817 3150 1 13 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.414 0.114 25817 3151 1 13 . 1 1 32 32 ASP C C 32 176.069 176.069 178.666 -2.597 25817 3152 1 13 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.536 -2.763 25817 3153 1 13 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.256 -0.036 25817 3154 1 13 . 1 1 32 32 ASP H H 32 8.251 8.251 8.274 -0.023 25817 3155 1 13 . 1 1 33 33 VAL N N 33 116.751 116.751 120.284 -3.533 25817 3156 1 13 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.747 0.355 25817 3157 1 13 . 1 1 33 33 VAL C C 33 175.474 175.474 177.947 -2.473 25817 3158 1 13 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.085 -3.467 25817 3159 1 13 . 1 1 33 33 VAL CB C 33 32.807 32.807 32.045 0.762 25817 3160 1 13 . 1 1 33 33 VAL H H 33 7.647 7.647 7.816 -0.169 25817 3161 1 13 . 1 1 34 34 LEU N N 34 121.923 121.923 120.411 1.512 25817 3162 1 13 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.890 0.373 25817 3163 1 13 . 1 1 34 34 LEU C C 34 176.502 176.502 177.390 -0.888 25817 3164 1 13 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.922 -2.619 25817 3165 1 13 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.434 0.231 25817 3166 1 13 . 1 1 34 34 LEU H H 34 7.876 7.876 8.039 -0.163 25817 3167 1 13 . 1 1 35 35 PHE N N 35 118.600 118.600 116.216 2.384 25817 3168 1 13 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.608 -0.013 25817 3169 1 13 . 1 1 35 35 PHE C C 35 175.009 175.009 174.581 0.428 25817 3170 1 13 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.510 1.448 25817 3171 1 13 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.373 -0.084 25817 3172 1 13 . 1 1 35 35 PHE H H 35 7.788 7.788 7.639 0.149 25817 3173 1 13 . 1 1 36 36 ILE N N 36 119.235 119.235 121.809 -2.574 25817 3174 1 13 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.718 0.388 25817 3175 1 13 . 1 1 36 36 ILE C C 36 174.800 174.800 175.955 -1.155 25817 3176 1 13 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.096 -0.280 25817 3177 1 13 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.734 4.225 25817 3178 1 13 . 1 1 36 36 ILE H H 36 7.489 7.489 7.862 -0.373 25817 3179 1 13 . 1 1 37 37 ALA N N 37 126.894 126.894 128.685 -1.791 25817 3180 1 13 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.261 0.262 25817 3181 1 13 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.752 -1.090 25817 3182 1 13 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.902 -0.517 25817 3183 1 13 . 1 1 37 37 ALA H H 37 7.923 7.923 8.495 -0.572 25817 3184 1 13 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.395 0.011 25817 3185 1 13 . 1 1 38 38 PRO C C 38 176.806 176.806 176.045 0.761 25817 3186 1 13 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.881 0.101 25817 3187 1 13 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.409 -0.560 25817 3188 1 13 . 1 1 39 39 ARG N N 39 119.994 119.994 120.522 -0.528 25817 3189 1 13 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.396 -0.096 25817 3190 1 13 . 1 1 39 39 ARG C C 39 175.960 175.960 176.139 -0.179 25817 3191 1 13 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.904 -0.096 25817 3192 1 13 . 1 1 39 39 ARG CB C 39 31.008 31.008 30.798 0.210 25817 3193 1 13 . 1 1 39 39 ARG H H 39 8.088 8.088 8.455 -0.367 25817 3194 1 13 . 1 1 40 40 GLU N N 40 122.023 122.023 122.383 -0.360 25817 3195 1 13 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.604 -0.012 25817 3196 1 13 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.448 0.663 25817 3197 1 13 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.446 0.223 25817 3198 1 13 . 1 1 40 40 GLU H H 40 8.179 8.179 8.250 -0.071 25817 3199 1 13 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.318 0.077 25817 3200 1 13 . 1 1 41 41 PRO C C 41 177.650 177.650 176.611 1.039 25817 3201 1 13 . 1 1 41 41 PRO CA C 41 63.721 63.721 62.937 0.784 25817 3202 1 13 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.479 0.316 25817 3203 1 13 . 1 1 42 42 GLY N N 42 108.968 108.968 107.775 1.193 25817 3204 1 13 . 1 1 42 42 GLY C C 42 173.943 173.943 175.047 -1.104 25817 3205 1 13 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.758 0.549 25817 3206 1 13 . 1 1 42 42 GLY H H 42 8.387 8.387 7.980 0.407 25817 3207 1 13 . 1 1 43 43 ALA N N 43 123.557 123.557 122.910 0.647 25817 3208 1 13 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.231 0.089 25817 3209 1 13 . 1 1 43 43 ALA C C 43 177.613 177.613 178.512 -0.899 25817 3210 1 13 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.232 -0.696 25817 3211 1 13 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.872 0.386 25817 3212 1 13 . 1 1 43 43 ALA H H 43 7.963 7.963 7.851 0.112 25817 3213 1 13 . 1 1 44 44 VAL N N 44 118.502 118.502 118.664 -0.162 25817 3214 1 13 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.778 0.327 25817 3215 1 13 . 1 1 44 44 VAL C C 44 175.735 175.735 177.717 -1.982 25817 3216 1 13 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.274 -2.255 25817 3217 1 13 . 1 1 44 44 VAL CB C 44 32.901 32.901 30.387 2.514 25817 3218 1 13 . 1 1 44 44 VAL H H 44 7.940 7.940 8.191 -0.251 25817 3219 1 13 . 1 1 45 45 SER N N 45 119.252 119.252 115.084 4.168 25817 3220 1 13 . 1 1 45 45 SER HA H 45 4.438 4.438 4.297 0.141 25817 3221 1 13 . 1 1 45 45 SER C C 45 172.924 172.924 174.893 -1.969 25817 3222 1 13 . 1 1 45 45 SER CA C 45 57.844 57.844 59.393 -1.549 25817 3223 1 13 . 1 1 45 45 SER CB C 45 64.261 64.261 64.055 0.207 25817 3224 1 13 . 1 1 45 45 SER H H 45 8.082 8.082 7.750 0.332 25817 3225 1 14 . 1 1 2 2 SER N N 2 114.638 114.638 116.077 -1.439 25817 3226 1 14 . 1 1 2 2 SER HA H 2 4.435 4.435 4.187 0.248 25817 3227 1 14 . 1 1 2 2 SER C C 2 174.655 174.655 176.262 -1.607 25817 3228 1 14 . 1 1 2 2 SER CA C 2 58.287 58.287 60.830 -2.543 25817 3229 1 14 . 1 1 2 2 SER CB C 2 64.193 64.193 62.692 1.501 25817 3230 1 14 . 1 1 2 2 SER H H 2 8.068 8.068 8.619 -0.551 25817 3231 1 14 . 1 1 3 3 LYS N N 3 122.754 122.754 121.609 1.145 25817 3232 1 14 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.044 0.162 25817 3233 1 14 . 1 1 3 3 LYS C C 3 177.164 177.164 179.122 -1.958 25817 3234 1 14 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.669 -1.616 25817 3235 1 14 . 1 1 3 3 LYS CB C 3 32.028 32.028 31.974 0.055 25817 3236 1 14 . 1 1 3 3 LYS H H 3 8.368 8.368 8.532 -0.164 25817 3237 1 14 . 1 1 4 4 GLU N N 4 118.462 118.462 119.489 -1.027 25817 3238 1 14 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.124 -0.086 25817 3239 1 14 . 1 1 4 4 GLU C C 4 177.164 177.164 178.675 -1.511 25817 3240 1 14 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.242 0.043 25817 3241 1 14 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.092 -0.327 25817 3242 1 14 . 1 1 4 4 GLU H H 4 8.411 8.411 8.058 0.353 25817 3243 1 14 . 1 1 5 5 LEU N N 5 119.346 119.346 119.902 -0.556 25817 3244 1 14 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.943 0.233 25817 3245 1 14 . 1 1 5 5 LEU C C 5 179.105 179.105 178.792 0.313 25817 3246 1 14 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.198 -1.123 25817 3247 1 14 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.815 0.031 25817 3248 1 14 . 1 1 5 5 LEU H H 5 7.879 7.879 7.711 0.168 25817 3249 1 14 . 1 1 6 6 GLU N N 6 120.818 120.818 120.411 0.407 25817 3250 1 14 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.974 0.002 25817 3251 1 14 . 1 1 6 6 GLU C C 6 177.071 177.071 179.106 -2.035 25817 3252 1 14 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.801 -0.550 25817 3253 1 14 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.620 -1.192 25817 3254 1 14 . 1 1 6 6 GLU H H 6 8.349 8.349 8.109 0.240 25817 3255 1 14 . 1 1 7 7 LEU N N 7 118.820 118.820 120.267 -1.447 25817 3256 1 14 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.979 0.115 25817 3257 1 14 . 1 1 7 7 LEU C C 7 179.724 179.724 179.293 0.431 25817 3258 1 14 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.119 -0.091 25817 3259 1 14 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.014 -0.108 25817 3260 1 14 . 1 1 7 7 LEU H H 7 8.219 8.219 7.640 0.579 25817 3261 1 14 . 1 1 8 8 ILE N N 8 120.124 120.124 118.857 1.267 25817 3262 1 14 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.713 0.008 25817 3263 1 14 . 1 1 8 8 ILE C C 8 176.524 176.524 178.467 -1.943 25817 3264 1 14 . 1 1 8 8 ILE CA C 8 65.101 65.101 63.683 1.418 25817 3265 1 14 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.051 2.002 25817 3266 1 14 . 1 1 8 8 ILE H H 8 8.336 8.336 7.743 0.593 25817 3267 1 14 . 1 1 9 9 THR N N 9 116.052 116.052 117.290 -1.238 25817 3268 1 14 . 1 1 9 9 THR HA H 9 4.204 4.204 3.980 0.224 25817 3269 1 14 . 1 1 9 9 THR C C 9 176.094 176.094 177.016 -0.922 25817 3270 1 14 . 1 1 9 9 THR CA C 9 67.399 67.399 67.219 0.181 25817 3271 1 14 . 1 1 9 9 THR H H 9 7.900 7.900 8.233 -0.333 25817 3272 1 14 . 1 1 10 10 LEU N N 10 119.799 119.799 121.844 -2.045 25817 3273 1 14 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.102 -0.127 25817 3274 1 14 . 1 1 10 10 LEU C C 10 177.752 177.752 178.771 -1.019 25817 3275 1 14 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.178 0.099 25817 3276 1 14 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.752 0.628 25817 3277 1 14 . 1 1 10 10 LEU H H 10 8.045 8.045 7.975 0.070 25817 3278 1 14 . 1 1 11 11 THR N N 11 114.472 114.472 116.623 -2.151 25817 3279 1 14 . 1 1 11 11 THR HA H 11 4.200 4.200 3.986 0.214 25817 3280 1 14 . 1 1 11 11 THR C C 11 176.296 176.296 176.995 -0.699 25817 3281 1 14 . 1 1 11 11 THR CA C 11 68.061 68.061 67.698 0.363 25817 3282 1 14 . 1 1 11 11 THR H H 11 7.904 7.904 8.027 -0.123 25817 3283 1 14 . 1 1 12 12 VAL N N 12 120.338 120.338 120.954 -0.616 25817 3284 1 14 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.658 -0.096 25817 3285 1 14 . 1 1 12 12 VAL C C 12 177.759 177.759 178.212 -0.453 25817 3286 1 14 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.747 0.177 25817 3287 1 14 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.034 0.532 25817 3288 1 14 . 1 1 12 12 VAL H H 12 8.297 8.297 8.080 0.217 25817 3289 1 14 . 1 1 13 13 GLY N N 13 106.329 106.329 108.414 -2.085 25817 3290 1 14 . 1 1 13 13 GLY C C 13 174.383 174.383 175.960 -1.577 25817 3291 1 14 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.381 0.372 25817 3292 1 14 . 1 1 13 13 GLY H H 13 8.519 8.519 8.298 0.221 25817 3293 1 14 . 1 1 14 14 PHE N N 14 120.488 120.488 123.108 -2.620 25817 3294 1 14 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.251 -0.051 25817 3295 1 14 . 1 1 14 14 PHE C C 14 177.591 177.591 177.402 0.189 25817 3296 1 14 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.475 1.147 25817 3297 1 14 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.127 -0.211 25817 3298 1 14 . 1 1 14 14 PHE H H 14 8.641 8.641 8.649 -0.008 25817 3299 1 14 . 1 1 15 15 GLY N N 15 106.569 106.569 108.079 -1.510 25817 3300 1 14 . 1 1 15 15 GLY C C 15 174.533 174.533 175.881 -1.348 25817 3301 1 14 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.309 0.323 25817 3302 1 14 . 1 1 15 15 GLY H H 15 8.573 8.573 8.114 0.459 25817 3303 1 14 . 1 1 16 16 ILE N N 16 120.720 120.720 122.812 -2.092 25817 3304 1 14 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.666 -0.041 25817 3305 1 14 . 1 1 16 16 ILE C C 16 178.658 178.658 177.456 1.202 25817 3306 1 14 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.752 0.678 25817 3307 1 14 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.995 -0.807 25817 3308 1 14 . 1 1 16 16 ILE H H 16 8.573 8.573 7.852 0.721 25817 3309 1 14 . 1 1 17 17 LEU N N 17 123.135 123.135 121.449 1.686 25817 3310 1 14 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.946 0.007 25817 3311 1 14 . 1 1 17 17 LEU C C 17 178.226 178.226 178.522 -0.296 25817 3312 1 14 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.537 0.380 25817 3313 1 14 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.794 -0.248 25817 3314 1 14 . 1 1 17 17 LEU H H 17 8.191 8.191 7.720 0.471 25817 3315 1 14 . 1 1 18 18 ILE N N 18 117.937 117.937 119.398 -1.461 25817 3316 1 14 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.439 0.124 25817 3317 1 14 . 1 1 18 18 ILE C C 18 177.812 177.812 177.795 0.017 25817 3318 1 14 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.590 -0.920 25817 3319 1 14 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.668 -1.156 25817 3320 1 14 . 1 1 18 18 ILE H H 18 8.455 8.455 7.318 1.137 25817 3321 1 14 . 1 1 19 19 PHE N N 19 119.250 119.250 119.403 -0.153 25817 3322 1 14 . 1 1 19 19 PHE HA H 19 4.097 4.097 4.021 0.076 25817 3323 1 14 . 1 1 19 19 PHE C C 19 177.133 177.133 177.880 -0.747 25817 3324 1 14 . 1 1 19 19 PHE CA C 19 61.902 61.902 61.944 -0.042 25817 3325 1 14 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.509 0.771 25817 3326 1 14 . 1 1 19 19 PHE H H 19 8.629 8.629 7.966 0.663 25817 3327 1 14 . 1 1 20 20 SER N N 20 114.851 114.851 115.546 -0.695 25817 3328 1 14 . 1 1 20 20 SER HA H 20 4.049 4.049 4.167 -0.118 25817 3329 1 14 . 1 1 20 20 SER C C 20 177.062 177.062 176.646 0.416 25817 3330 1 14 . 1 1 20 20 SER CA C 20 63.443 63.443 61.877 1.565 25817 3331 1 14 . 1 1 20 20 SER H H 20 8.588 8.588 8.766 -0.178 25817 3332 1 14 . 1 1 21 21 LEU N N 21 124.926 124.926 124.067 0.859 25817 3333 1 14 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.022 -0.000 25817 3334 1 14 . 1 1 21 21 LEU C C 21 178.183 178.183 178.336 -0.153 25817 3335 1 14 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.922 0.409 25817 3336 1 14 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.826 -0.055 25817 3337 1 14 . 1 1 21 21 LEU H H 21 8.194 8.194 7.733 0.461 25817 3338 1 14 . 1 1 22 22 ILE N N 22 119.416 119.416 118.937 0.479 25817 3339 1 14 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.574 0.038 25817 3340 1 14 . 1 1 22 22 ILE C C 22 178.539 178.539 178.097 0.442 25817 3341 1 14 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.711 0.250 25817 3342 1 14 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.505 0.359 25817 3343 1 14 . 1 1 22 22 ILE H H 22 8.173 8.173 7.811 0.362 25817 3344 1 14 . 1 1 23 23 VAL N N 23 119.631 119.631 120.351 -0.720 25817 3345 1 14 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.658 -0.307 25817 3346 1 14 . 1 1 23 23 VAL C C 23 177.480 177.480 177.913 -0.433 25817 3347 1 14 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.623 1.181 25817 3348 1 14 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.216 0.155 25817 3349 1 14 . 1 1 23 23 VAL H H 23 8.517 8.517 7.758 0.759 25817 3350 1 14 . 1 1 24 24 THR N N 24 115.196 115.196 117.541 -2.345 25817 3351 1 14 . 1 1 24 24 THR HA H 24 4.212 4.212 3.907 0.305 25817 3352 1 14 . 1 1 24 24 THR C C 24 176.559 176.559 176.431 0.128 25817 3353 1 14 . 1 1 24 24 THR CA C 24 68.061 68.061 67.076 0.985 25817 3354 1 14 . 1 1 24 24 THR H H 24 8.009 8.009 8.314 -0.305 25817 3355 1 14 . 1 1 25 25 TYR N N 25 121.989 121.989 123.683 -1.694 25817 3356 1 14 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.215 -0.180 25817 3357 1 14 . 1 1 25 25 TYR C C 25 177.742 177.742 177.175 0.567 25817 3358 1 14 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.399 1.089 25817 3359 1 14 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.530 0.236 25817 3360 1 14 . 1 1 25 25 TYR H H 25 8.447 8.447 8.360 0.087 25817 3361 1 14 . 1 1 26 26 CYS N N 26 117.031 117.031 118.157 -1.126 25817 3362 1 14 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.922 0.007 25817 3363 1 14 . 1 1 26 26 CYS C C 26 176.855 176.855 177.325 -0.470 25817 3364 1 14 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.353 0.024 25817 3365 1 14 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.606 0.685 25817 3366 1 14 . 1 1 26 26 CYS H H 26 8.456 8.456 8.015 0.441 25817 3367 1 14 . 1 1 27 27 ILE N N 27 118.019 118.019 120.757 -2.738 25817 3368 1 14 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.471 0.254 25817 3369 1 14 . 1 1 27 27 ILE C C 27 177.543 177.543 177.387 0.156 25817 3370 1 14 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.712 -1.057 25817 3371 1 14 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.819 -0.128 25817 3372 1 14 . 1 1 27 27 ILE H H 27 8.460 8.460 7.833 0.627 25817 3373 1 14 . 1 1 28 28 ASN N N 28 117.725 117.725 118.020 -0.295 25817 3374 1 14 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.233 0.233 25817 3375 1 14 . 1 1 28 28 ASN C C 28 176.330 176.330 177.291 -0.961 25817 3376 1 14 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.959 -0.905 25817 3377 1 14 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.066 1.503 25817 3378 1 14 . 1 1 28 28 ASN H H 28 7.933 7.933 8.093 -0.160 25817 3379 1 14 . 1 1 29 29 ALA N N 29 120.930 120.930 122.999 -2.069 25817 3380 1 14 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.830 0.295 25817 3381 1 14 . 1 1 29 29 ALA C C 29 178.485 178.485 178.994 -0.509 25817 3382 1 14 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.923 -1.277 25817 3383 1 14 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.379 0.424 25817 3384 1 14 . 1 1 29 29 ALA H H 29 8.116 8.116 7.738 0.378 25817 3385 1 14 . 1 1 30 30 LYS N N 30 116.477 116.477 118.479 -2.002 25817 3386 1 14 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.950 0.343 25817 3387 1 14 . 1 1 30 30 LYS C C 30 176.352 176.352 178.262 -1.910 25817 3388 1 14 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.667 -2.766 25817 3389 1 14 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.349 -0.203 25817 3390 1 14 . 1 1 30 30 LYS H H 30 7.710 7.710 7.806 -0.096 25817 3391 1 14 . 1 1 31 31 ALA N N 31 122.148 122.148 122.486 -0.338 25817 3392 1 14 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.291 -0.058 25817 3393 1 14 . 1 1 31 31 ALA C C 31 177.308 177.308 179.524 -2.216 25817 3394 1 14 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.465 -1.123 25817 3395 1 14 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.095 0.373 25817 3396 1 14 . 1 1 31 31 ALA H H 31 7.881 7.881 7.878 0.003 25817 3397 1 14 . 1 1 32 32 ASP N N 32 117.233 117.233 120.443 -3.210 25817 3398 1 14 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.630 -0.102 25817 3399 1 14 . 1 1 32 32 ASP C C 32 176.069 176.069 178.686 -2.617 25817 3400 1 14 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.108 -2.335 25817 3401 1 14 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.412 -0.192 25817 3402 1 14 . 1 1 32 32 ASP H H 32 8.251 8.251 8.274 -0.023 25817 3403 1 14 . 1 1 33 33 VAL N N 33 116.751 116.751 118.652 -1.901 25817 3404 1 14 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.828 0.274 25817 3405 1 14 . 1 1 33 33 VAL C C 33 175.474 175.474 176.602 -1.128 25817 3406 1 14 . 1 1 33 33 VAL CA C 33 62.618 62.618 64.080 -1.462 25817 3407 1 14 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.567 1.240 25817 3408 1 14 . 1 1 33 33 VAL H H 33 7.647 7.647 7.575 0.072 25817 3409 1 14 . 1 1 34 34 LEU N N 34 121.923 121.923 119.284 2.639 25817 3410 1 14 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.950 0.314 25817 3411 1 14 . 1 1 34 34 LEU C C 34 176.502 176.502 176.078 0.424 25817 3412 1 14 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.721 -0.418 25817 3413 1 14 . 1 1 34 34 LEU CB C 34 42.665 42.665 40.792 1.873 25817 3414 1 14 . 1 1 34 34 LEU H H 34 7.876 7.876 7.578 0.298 25817 3415 1 14 . 1 1 35 35 PHE N N 35 118.600 118.600 117.906 0.694 25817 3416 1 14 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.705 -0.110 25817 3417 1 14 . 1 1 35 35 PHE C C 35 175.009 175.009 176.137 -1.128 25817 3418 1 14 . 1 1 35 35 PHE CA C 35 57.958 57.958 57.104 0.854 25817 3419 1 14 . 1 1 35 35 PHE CB C 35 39.289 39.289 40.035 -0.746 25817 3420 1 14 . 1 1 35 35 PHE H H 35 7.788 7.788 7.406 0.382 25817 3421 1 14 . 1 1 36 36 ILE N N 36 119.235 119.235 120.188 -0.953 25817 3422 1 14 . 1 1 36 36 ILE HA H 36 4.106 4.106 4.209 -0.103 25817 3423 1 14 . 1 1 36 36 ILE C C 36 174.800 174.800 175.439 -0.639 25817 3424 1 14 . 1 1 36 36 ILE CA C 36 60.816 60.816 60.192 0.624 25817 3425 1 14 . 1 1 36 36 ILE CB C 36 38.959 38.959 36.434 2.525 25817 3426 1 14 . 1 1 36 36 ILE H H 36 7.489 7.489 8.411 -0.922 25817 3427 1 14 . 1 1 37 37 ALA N N 37 126.894 126.894 124.618 2.276 25817 3428 1 14 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.178 0.345 25817 3429 1 14 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.725 -1.063 25817 3430 1 14 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.174 0.211 25817 3431 1 14 . 1 1 37 37 ALA H H 37 7.923 7.923 7.703 0.220 25817 3432 1 14 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.423 -0.017 25817 3433 1 14 . 1 1 38 38 PRO C C 38 176.806 176.806 176.276 0.530 25817 3434 1 14 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.673 0.309 25817 3435 1 14 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.475 -0.626 25817 3436 1 14 . 1 1 39 39 ARG N N 39 119.994 119.994 119.803 0.191 25817 3437 1 14 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.289 0.011 25817 3438 1 14 . 1 1 39 39 ARG C C 39 175.960 175.960 176.196 -0.236 25817 3439 1 14 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.800 0.008 25817 3440 1 14 . 1 1 39 39 ARG CB C 39 31.008 31.008 30.753 0.255 25817 3441 1 14 . 1 1 39 39 ARG H H 39 8.088 8.088 8.322 -0.234 25817 3442 1 14 . 1 1 40 40 GLU N N 40 122.023 122.023 121.123 0.900 25817 3443 1 14 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.211 0.381 25817 3444 1 14 . 1 1 40 40 GLU CA C 40 54.111 54.111 56.439 -2.328 25817 3445 1 14 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.448 0.221 25817 3446 1 14 . 1 1 40 40 GLU H H 40 8.179 8.179 8.522 -0.343 25817 3447 1 14 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.196 0.199 25817 3448 1 14 . 1 1 41 41 PRO C C 41 177.650 177.650 177.706 -0.056 25817 3449 1 14 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.359 -0.638 25817 3450 1 14 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.001 -0.207 25817 3451 1 14 . 1 1 42 42 GLY N N 42 108.968 108.968 104.517 4.451 25817 3452 1 14 . 1 1 42 42 GLY C C 42 173.943 173.943 174.452 -0.509 25817 3453 1 14 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.347 -0.040 25817 3454 1 14 . 1 1 42 42 GLY H H 42 8.387 8.387 8.065 0.322 25817 3455 1 14 . 1 1 43 43 ALA N N 43 123.557 123.557 118.090 5.467 25817 3456 1 14 . 1 1 43 43 ALA HA H 43 4.320 4.320 3.912 0.408 25817 3457 1 14 . 1 1 43 43 ALA C C 43 177.613 177.613 176.165 1.448 25817 3458 1 14 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.368 -0.833 25817 3459 1 14 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.183 1.075 25817 3460 1 14 . 1 1 43 43 ALA H H 43 7.963 7.963 7.882 0.081 25817 3461 1 14 . 1 1 44 44 VAL N N 44 118.502 118.502 118.356 0.146 25817 3462 1 14 . 1 1 44 44 VAL HA H 44 4.105 4.105 4.101 0.004 25817 3463 1 14 . 1 1 44 44 VAL C C 44 175.735 175.735 175.957 -0.222 25817 3464 1 14 . 1 1 44 44 VAL CA C 44 62.019 62.019 61.915 0.104 25817 3465 1 14 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.100 0.801 25817 3466 1 14 . 1 1 44 44 VAL H H 44 7.940 7.940 8.063 -0.123 25817 3467 1 14 . 1 1 45 45 SER N N 45 119.252 119.252 121.925 -2.673 25817 3468 1 14 . 1 1 45 45 SER HA H 45 4.438 4.438 4.241 0.197 25817 3469 1 14 . 1 1 45 45 SER C C 45 172.924 172.924 174.259 -1.335 25817 3470 1 14 . 1 1 45 45 SER CA C 45 57.844 57.844 60.144 -2.300 25817 3471 1 14 . 1 1 45 45 SER CB C 45 64.261 64.261 63.636 0.625 25817 3472 1 14 . 1 1 45 45 SER H H 45 8.082 8.082 8.776 -0.694 25817 3473 1 15 . 1 1 2 2 SER N N 2 114.638 114.638 114.445 0.193 25817 3474 1 15 . 1 1 2 2 SER HA H 2 4.435 4.435 4.099 0.336 25817 3475 1 15 . 1 1 2 2 SER C C 2 174.655 174.655 175.634 -0.979 25817 3476 1 15 . 1 1 2 2 SER CA C 2 58.287 58.287 59.036 -0.749 25817 3477 1 15 . 1 1 2 2 SER CB C 2 64.193 64.193 63.235 0.958 25817 3478 1 15 . 1 1 2 2 SER H H 2 8.068 8.068 8.671 -0.603 25817 3479 1 15 . 1 1 3 3 LYS N N 3 122.754 122.754 121.375 1.379 25817 3480 1 15 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.155 0.051 25817 3481 1 15 . 1 1 3 3 LYS C C 3 177.164 177.164 178.153 -0.989 25817 3482 1 15 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.276 -1.223 25817 3483 1 15 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.385 -0.357 25817 3484 1 15 . 1 1 3 3 LYS H H 3 8.368 8.368 8.359 0.009 25817 3485 1 15 . 1 1 4 4 GLU N N 4 118.462 118.462 119.186 -0.724 25817 3486 1 15 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.087 -0.049 25817 3487 1 15 . 1 1 4 4 GLU C C 4 177.164 177.164 178.743 -1.579 25817 3488 1 15 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.200 0.085 25817 3489 1 15 . 1 1 4 4 GLU CB C 4 28.765 28.765 28.841 -0.076 25817 3490 1 15 . 1 1 4 4 GLU H H 4 8.411 8.411 8.765 -0.354 25817 3491 1 15 . 1 1 5 5 LEU N N 5 119.346 119.346 120.428 -1.082 25817 3492 1 15 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.061 0.115 25817 3493 1 15 . 1 1 5 5 LEU C C 5 179.105 179.105 179.216 -0.111 25817 3494 1 15 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.768 -0.693 25817 3495 1 15 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.701 0.145 25817 3496 1 15 . 1 1 5 5 LEU H H 5 7.879 7.879 7.810 0.069 25817 3497 1 15 . 1 1 6 6 GLU N N 6 120.818 120.818 120.272 0.546 25817 3498 1 15 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.978 -0.002 25817 3499 1 15 . 1 1 6 6 GLU C C 6 177.071 177.071 179.444 -2.373 25817 3500 1 15 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.801 -0.550 25817 3501 1 15 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.600 -1.172 25817 3502 1 15 . 1 1 6 6 GLU H H 6 8.349 8.349 8.236 0.113 25817 3503 1 15 . 1 1 7 7 LEU N N 7 118.820 118.820 120.453 -1.633 25817 3504 1 15 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.981 0.113 25817 3505 1 15 . 1 1 7 7 LEU C C 7 179.724 179.724 178.915 0.809 25817 3506 1 15 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.230 -0.202 25817 3507 1 15 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.844 0.062 25817 3508 1 15 . 1 1 7 7 LEU H H 7 8.219 8.219 8.401 -0.182 25817 3509 1 15 . 1 1 8 8 ILE N N 8 120.124 120.124 119.795 0.329 25817 3510 1 15 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.648 0.073 25817 3511 1 15 . 1 1 8 8 ILE C C 8 176.524 176.524 178.184 -1.660 25817 3512 1 15 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.137 -0.036 25817 3513 1 15 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.019 1.035 25817 3514 1 15 . 1 1 8 8 ILE H H 8 8.336 8.336 7.709 0.627 25817 3515 1 15 . 1 1 9 9 THR N N 9 116.052 116.052 117.085 -1.033 25817 3516 1 15 . 1 1 9 9 THR HA H 9 4.204 4.204 3.920 0.284 25817 3517 1 15 . 1 1 9 9 THR C C 9 176.094 176.094 176.867 -0.773 25817 3518 1 15 . 1 1 9 9 THR CA C 9 67.399 67.399 66.997 0.402 25817 3519 1 15 . 1 1 9 9 THR H H 9 7.900 7.900 8.227 -0.327 25817 3520 1 15 . 1 1 10 10 LEU N N 10 119.799 119.799 122.100 -2.301 25817 3521 1 15 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.101 -0.126 25817 3522 1 15 . 1 1 10 10 LEU C C 10 177.752 177.752 178.443 -0.691 25817 3523 1 15 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.546 -0.269 25817 3524 1 15 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.748 0.632 25817 3525 1 15 . 1 1 10 10 LEU H H 10 8.045 8.045 7.750 0.295 25817 3526 1 15 . 1 1 11 11 THR N N 11 114.472 114.472 116.383 -1.911 25817 3527 1 15 . 1 1 11 11 THR HA H 11 4.200 4.200 3.964 0.236 25817 3528 1 15 . 1 1 11 11 THR C C 11 176.296 176.296 177.281 -0.985 25817 3529 1 15 . 1 1 11 11 THR CA C 11 68.061 68.061 66.880 1.181 25817 3530 1 15 . 1 1 11 11 THR H H 11 7.904 7.904 8.437 -0.533 25817 3531 1 15 . 1 1 12 12 VAL N N 12 120.338 120.338 120.535 -0.197 25817 3532 1 15 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.709 -0.147 25817 3533 1 15 . 1 1 12 12 VAL C C 12 177.759 177.759 178.017 -0.258 25817 3534 1 15 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.202 -0.278 25817 3535 1 15 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.197 0.369 25817 3536 1 15 . 1 1 12 12 VAL H H 12 8.297 8.297 8.385 -0.088 25817 3537 1 15 . 1 1 13 13 GLY N N 13 106.329 106.329 108.548 -2.219 25817 3538 1 15 . 1 1 13 13 GLY C C 13 174.383 174.383 176.045 -1.662 25817 3539 1 15 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.553 0.200 25817 3540 1 15 . 1 1 13 13 GLY H H 13 8.519 8.519 8.175 0.344 25817 3541 1 15 . 1 1 14 14 PHE N N 14 120.488 120.488 123.169 -2.681 25817 3542 1 15 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.162 0.038 25817 3543 1 15 . 1 1 14 14 PHE C C 14 177.591 177.591 177.476 0.115 25817 3544 1 15 . 1 1 14 14 PHE CA C 14 61.622 61.622 61.043 0.579 25817 3545 1 15 . 1 1 14 14 PHE CB C 14 38.916 38.916 38.977 -0.061 25817 3546 1 15 . 1 1 14 14 PHE H H 14 8.641 8.641 8.921 -0.280 25817 3547 1 15 . 1 1 15 15 GLY N N 15 106.569 106.569 107.130 -0.561 25817 3548 1 15 . 1 1 15 15 GLY C C 15 174.533 174.533 176.265 -1.732 25817 3549 1 15 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.112 0.520 25817 3550 1 15 . 1 1 15 15 GLY H H 15 8.573 8.573 7.997 0.576 25817 3551 1 15 . 1 1 16 16 ILE N N 16 120.720 120.720 123.374 -2.654 25817 3552 1 15 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.788 -0.163 25817 3553 1 15 . 1 1 16 16 ILE C C 16 178.658 178.658 177.863 0.795 25817 3554 1 15 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.470 0.960 25817 3555 1 15 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.471 -0.283 25817 3556 1 15 . 1 1 16 16 ILE H H 16 8.573 8.573 8.347 0.226 25817 3557 1 15 . 1 1 17 17 LEU N N 17 123.135 123.135 120.437 2.698 25817 3558 1 15 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.886 0.067 25817 3559 1 15 . 1 1 17 17 LEU C C 17 178.226 178.226 179.273 -1.047 25817 3560 1 15 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.490 0.426 25817 3561 1 15 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.542 0.004 25817 3562 1 15 . 1 1 17 17 LEU H H 17 8.191 8.191 8.334 -0.143 25817 3563 1 15 . 1 1 18 18 ILE N N 18 117.937 117.937 119.377 -1.440 25817 3564 1 15 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.441 0.122 25817 3565 1 15 . 1 1 18 18 ILE C C 18 177.812 177.812 177.778 0.034 25817 3566 1 15 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.527 -0.857 25817 3567 1 15 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.716 -1.204 25817 3568 1 15 . 1 1 18 18 ILE H H 18 8.455 8.455 7.504 0.951 25817 3569 1 15 . 1 1 19 19 PHE N N 19 119.250 119.250 119.886 -0.636 25817 3570 1 15 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.950 0.147 25817 3571 1 15 . 1 1 19 19 PHE C C 19 177.133 177.133 177.656 -0.523 25817 3572 1 15 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.255 -0.353 25817 3573 1 15 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.052 0.228 25817 3574 1 15 . 1 1 19 19 PHE H H 19 8.629 8.629 8.100 0.529 25817 3575 1 15 . 1 1 20 20 SER N N 20 114.851 114.851 114.904 -0.053 25817 3576 1 15 . 1 1 20 20 SER HA H 20 4.049 4.049 4.164 -0.115 25817 3577 1 15 . 1 1 20 20 SER C C 20 177.062 177.062 176.557 0.505 25817 3578 1 15 . 1 1 20 20 SER CA C 20 63.443 63.443 61.672 1.771 25817 3579 1 15 . 1 1 20 20 SER H H 20 8.588 8.588 8.641 -0.053 25817 3580 1 15 . 1 1 21 21 LEU N N 21 124.926 124.926 122.612 2.314 25817 3581 1 15 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.153 -0.131 25817 3582 1 15 . 1 1 21 21 LEU C C 21 178.183 178.183 178.363 -0.180 25817 3583 1 15 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.016 0.315 25817 3584 1 15 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.081 -0.310 25817 3585 1 15 . 1 1 21 21 LEU H H 21 8.194 8.194 7.726 0.468 25817 3586 1 15 . 1 1 22 22 ILE N N 22 119.416 119.416 119.074 0.342 25817 3587 1 15 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.600 0.012 25817 3588 1 15 . 1 1 22 22 ILE C C 22 178.539 178.539 178.049 0.490 25817 3589 1 15 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.079 0.882 25817 3590 1 15 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.813 1.051 25817 3591 1 15 . 1 1 22 22 ILE H H 22 8.173 8.173 8.149 0.024 25817 3592 1 15 . 1 1 23 23 VAL N N 23 119.631 119.631 120.167 -0.536 25817 3593 1 15 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.516 -0.165 25817 3594 1 15 . 1 1 23 23 VAL C C 23 177.480 177.480 178.129 -0.649 25817 3595 1 15 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.394 0.409 25817 3596 1 15 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.754 -0.383 25817 3597 1 15 . 1 1 23 23 VAL H H 23 8.517 8.517 8.157 0.360 25817 3598 1 15 . 1 1 24 24 THR N N 24 115.196 115.196 117.043 -1.847 25817 3599 1 15 . 1 1 24 24 THR HA H 24 4.212 4.212 3.946 0.266 25817 3600 1 15 . 1 1 24 24 THR C C 24 176.559 176.559 176.581 -0.022 25817 3601 1 15 . 1 1 24 24 THR CA C 24 68.061 68.061 67.200 0.861 25817 3602 1 15 . 1 1 24 24 THR H H 24 8.009 8.009 7.815 0.194 25817 3603 1 15 . 1 1 25 25 TYR N N 25 121.989 121.989 123.259 -1.270 25817 3604 1 15 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.166 -0.131 25817 3605 1 15 . 1 1 25 25 TYR C C 25 177.742 177.742 177.321 0.421 25817 3606 1 15 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.363 0.125 25817 3607 1 15 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.204 0.562 25817 3608 1 15 . 1 1 25 25 TYR H H 25 8.447 8.447 8.532 -0.085 25817 3609 1 15 . 1 1 26 26 CYS N N 26 117.031 117.031 118.752 -1.721 25817 3610 1 15 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.872 0.057 25817 3611 1 15 . 1 1 26 26 CYS C C 26 176.855 176.855 176.900 -0.045 25817 3612 1 15 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.138 0.239 25817 3613 1 15 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.964 0.327 25817 3614 1 15 . 1 1 26 26 CYS H H 26 8.456 8.456 7.758 0.698 25817 3615 1 15 . 1 1 27 27 ILE N N 27 118.019 118.019 120.717 -2.698 25817 3616 1 15 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.462 0.263 25817 3617 1 15 . 1 1 27 27 ILE C C 27 177.543 177.543 177.793 -0.250 25817 3618 1 15 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.816 -1.161 25817 3619 1 15 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.609 0.082 25817 3620 1 15 . 1 1 27 27 ILE H H 27 8.460 8.460 8.041 0.419 25817 3621 1 15 . 1 1 28 28 ASN N N 28 117.725 117.725 118.263 -0.538 25817 3622 1 15 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.377 0.089 25817 3623 1 15 . 1 1 28 28 ASN C C 28 176.330 176.330 177.479 -1.149 25817 3624 1 15 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.134 -0.080 25817 3625 1 15 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.696 1.873 25817 3626 1 15 . 1 1 28 28 ASN H H 28 7.933 7.933 7.889 0.044 25817 3627 1 15 . 1 1 29 29 ALA N N 29 120.930 120.930 123.359 -2.429 25817 3628 1 15 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.802 0.323 25817 3629 1 15 . 1 1 29 29 ALA C C 29 178.485 178.485 179.241 -0.756 25817 3630 1 15 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.028 -1.382 25817 3631 1 15 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.099 0.703 25817 3632 1 15 . 1 1 29 29 ALA H H 29 8.116 8.116 8.061 0.055 25817 3633 1 15 . 1 1 30 30 LYS N N 30 116.477 116.477 118.346 -1.869 25817 3634 1 15 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.924 0.369 25817 3635 1 15 . 1 1 30 30 LYS C C 30 176.352 176.352 178.829 -2.477 25817 3636 1 15 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.136 -3.235 25817 3637 1 15 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.193 -0.047 25817 3638 1 15 . 1 1 30 30 LYS H H 30 7.710 7.710 7.946 -0.236 25817 3639 1 15 . 1 1 31 31 ALA N N 31 122.148 122.148 122.342 -0.194 25817 3640 1 15 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.077 0.156 25817 3641 1 15 . 1 1 31 31 ALA C C 31 177.308 177.308 179.691 -2.383 25817 3642 1 15 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.159 -1.817 25817 3643 1 15 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.277 1.191 25817 3644 1 15 . 1 1 31 31 ALA H H 31 7.881 7.881 7.764 0.117 25817 3645 1 15 . 1 1 32 32 ASP N N 32 117.233 117.233 119.117 -1.884 25817 3646 1 15 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.331 0.197 25817 3647 1 15 . 1 1 32 32 ASP C C 32 176.069 176.069 178.507 -2.438 25817 3648 1 15 . 1 1 32 32 ASP CA C 32 54.773 54.773 58.320 -3.547 25817 3649 1 15 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.483 -0.262 25817 3650 1 15 . 1 1 32 32 ASP H H 32 8.251 8.251 8.176 0.075 25817 3651 1 15 . 1 1 33 33 VAL N N 33 116.751 116.751 119.300 -2.549 25817 3652 1 15 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.729 0.373 25817 3653 1 15 . 1 1 33 33 VAL C C 33 175.474 175.474 178.022 -2.548 25817 3654 1 15 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.067 -3.449 25817 3655 1 15 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.560 1.247 25817 3656 1 15 . 1 1 33 33 VAL H H 33 7.647 7.647 7.654 -0.007 25817 3657 1 15 . 1 1 34 34 LEU N N 34 121.923 121.923 119.781 2.142 25817 3658 1 15 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.805 0.459 25817 3659 1 15 . 1 1 34 34 LEU C C 34 176.502 176.502 177.669 -1.167 25817 3660 1 15 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.795 -2.492 25817 3661 1 15 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.995 0.670 25817 3662 1 15 . 1 1 34 34 LEU H H 34 7.876 7.876 7.615 0.261 25817 3663 1 15 . 1 1 35 35 PHE N N 35 118.600 118.600 116.940 1.660 25817 3664 1 15 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.609 -0.014 25817 3665 1 15 . 1 1 35 35 PHE C C 35 175.009 175.009 174.698 0.311 25817 3666 1 15 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.441 1.517 25817 3667 1 15 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.778 0.511 25817 3668 1 15 . 1 1 35 35 PHE H H 35 7.788 7.788 7.565 0.223 25817 3669 1 15 . 1 1 36 36 ILE N N 36 119.235 119.235 121.563 -2.328 25817 3670 1 15 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.726 0.380 25817 3671 1 15 . 1 1 36 36 ILE C C 36 174.800 174.800 175.808 -1.008 25817 3672 1 15 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.272 -0.456 25817 3673 1 15 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.816 4.143 25817 3674 1 15 . 1 1 36 36 ILE H H 36 7.489 7.489 8.066 -0.577 25817 3675 1 15 . 1 1 37 37 ALA N N 37 126.894 126.894 127.339 -0.445 25817 3676 1 15 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.247 0.276 25817 3677 1 15 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.989 -1.327 25817 3678 1 15 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.777 -0.392 25817 3679 1 15 . 1 1 37 37 ALA H H 37 7.923 7.923 8.340 -0.417 25817 3680 1 15 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.411 -0.005 25817 3681 1 15 . 1 1 38 38 PRO C C 38 176.806 176.806 175.799 1.007 25817 3682 1 15 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.923 0.059 25817 3683 1 15 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.307 -0.458 25817 3684 1 15 . 1 1 39 39 ARG N N 39 119.994 119.994 118.012 1.982 25817 3685 1 15 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.679 -0.379 25817 3686 1 15 . 1 1 39 39 ARG C C 39 175.960 175.960 174.872 1.088 25817 3687 1 15 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.477 0.331 25817 3688 1 15 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.898 -0.890 25817 3689 1 15 . 1 1 39 39 ARG H H 39 8.088 8.088 8.440 -0.352 25817 3690 1 15 . 1 1 40 40 GLU N N 40 122.023 122.023 122.845 -0.822 25817 3691 1 15 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.820 -0.228 25817 3692 1 15 . 1 1 40 40 GLU CA C 40 54.111 54.111 52.720 1.391 25817 3693 1 15 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.167 0.502 25817 3694 1 15 . 1 1 40 40 GLU H H 40 8.179 8.179 8.524 -0.345 25817 3695 1 15 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.168 0.227 25817 3696 1 15 . 1 1 41 41 PRO C C 41 177.650 177.650 177.160 0.490 25817 3697 1 15 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.923 -0.202 25817 3698 1 15 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.682 0.112 25817 3699 1 15 . 1 1 42 42 GLY N N 42 108.968 108.968 112.754 -3.786 25817 3700 1 15 . 1 1 42 42 GLY C C 42 173.943 173.943 174.465 -0.522 25817 3701 1 15 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.167 0.140 25817 3702 1 15 . 1 1 42 42 GLY H H 42 8.387 8.387 8.481 -0.094 25817 3703 1 15 . 1 1 43 43 ALA N N 43 123.557 123.557 121.896 1.661 25817 3704 1 15 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.135 0.185 25817 3705 1 15 . 1 1 43 43 ALA C C 43 177.613 177.613 177.434 0.179 25817 3706 1 15 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.644 -0.108 25817 3707 1 15 . 1 1 43 43 ALA CB C 43 19.258 19.258 19.662 -0.404 25817 3708 1 15 . 1 1 43 43 ALA H H 43 7.963 7.963 7.654 0.309 25817 3709 1 15 . 1 1 44 44 VAL N N 44 118.502 118.502 122.193 -3.691 25817 3710 1 15 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.989 0.116 25817 3711 1 15 . 1 1 44 44 VAL C C 44 175.735 175.735 176.247 -0.512 25817 3712 1 15 . 1 1 44 44 VAL CA C 44 62.019 62.019 63.625 -1.606 25817 3713 1 15 . 1 1 44 44 VAL CB C 44 32.901 32.901 29.852 3.049 25817 3714 1 15 . 1 1 44 44 VAL H H 44 7.940 7.940 8.475 -0.535 25817 3715 1 15 . 1 1 45 45 SER N N 45 119.252 119.252 122.221 -2.969 25817 3716 1 15 . 1 1 45 45 SER HA H 45 4.438 4.438 4.531 -0.093 25817 3717 1 15 . 1 1 45 45 SER C C 45 172.924 172.924 173.198 -0.274 25817 3718 1 15 . 1 1 45 45 SER CA C 45 57.844 57.844 58.667 -0.823 25817 3719 1 15 . 1 1 45 45 SER CB C 45 64.261 64.261 64.543 -0.282 25817 3720 1 15 . 1 1 45 45 SER H H 45 8.082 8.082 8.787 -0.705 25817 3721 1 16 . 1 1 2 2 SER N N 2 114.638 114.638 116.303 -1.665 25817 3722 1 16 . 1 1 2 2 SER HA H 2 4.435 4.435 4.103 0.332 25817 3723 1 16 . 1 1 2 2 SER C C 2 174.655 174.655 176.380 -1.725 25817 3724 1 16 . 1 1 2 2 SER CA C 2 58.287 58.287 61.536 -3.249 25817 3725 1 16 . 1 1 2 2 SER CB C 2 64.193 64.193 62.756 1.437 25817 3726 1 16 . 1 1 2 2 SER H H 2 8.068 8.068 8.526 -0.458 25817 3727 1 16 . 1 1 3 3 LYS N N 3 122.754 122.754 120.264 2.490 25817 3728 1 16 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.046 0.160 25817 3729 1 16 . 1 1 3 3 LYS C C 3 177.164 177.164 178.231 -1.067 25817 3730 1 16 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.186 -1.133 25817 3731 1 16 . 1 1 3 3 LYS CB C 3 32.028 32.028 31.831 0.197 25817 3732 1 16 . 1 1 3 3 LYS H H 3 8.368 8.368 8.474 -0.106 25817 3733 1 16 . 1 1 4 4 GLU N N 4 118.462 118.462 120.055 -1.593 25817 3734 1 16 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.091 -0.053 25817 3735 1 16 . 1 1 4 4 GLU C C 4 177.164 177.164 178.922 -1.758 25817 3736 1 16 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.239 0.046 25817 3737 1 16 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.310 -0.545 25817 3738 1 16 . 1 1 4 4 GLU H H 4 8.411 8.411 8.178 0.233 25817 3739 1 16 . 1 1 5 5 LEU N N 5 119.346 119.346 119.838 -0.492 25817 3740 1 16 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.896 0.280 25817 3741 1 16 . 1 1 5 5 LEU C C 5 179.105 179.105 178.998 0.107 25817 3742 1 16 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.171 -1.096 25817 3743 1 16 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.845 0.001 25817 3744 1 16 . 1 1 5 5 LEU H H 5 7.879 7.879 8.299 -0.419 25817 3745 1 16 . 1 1 6 6 GLU N N 6 120.818 120.818 120.120 0.698 25817 3746 1 16 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.997 -0.021 25817 3747 1 16 . 1 1 6 6 GLU C C 6 177.071 177.071 179.262 -2.191 25817 3748 1 16 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.548 -0.297 25817 3749 1 16 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.847 -1.419 25817 3750 1 16 . 1 1 6 6 GLU H H 6 8.349 8.349 8.203 0.146 25817 3751 1 16 . 1 1 7 7 LEU N N 7 118.820 118.820 120.730 -1.910 25817 3752 1 16 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.932 0.162 25817 3753 1 16 . 1 1 7 7 LEU C C 7 179.724 179.724 179.315 0.409 25817 3754 1 16 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.294 -0.266 25817 3755 1 16 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.836 0.070 25817 3756 1 16 . 1 1 7 7 LEU H H 7 8.219 8.219 8.433 -0.214 25817 3757 1 16 . 1 1 8 8 ILE N N 8 120.124 120.124 119.244 0.880 25817 3758 1 16 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.685 0.036 25817 3759 1 16 . 1 1 8 8 ILE C C 8 176.524 176.524 178.193 -1.669 25817 3760 1 16 . 1 1 8 8 ILE CA C 8 65.101 65.101 64.973 0.128 25817 3761 1 16 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.797 1.257 25817 3762 1 16 . 1 1 8 8 ILE H H 8 8.336 8.336 8.208 0.128 25817 3763 1 16 . 1 1 9 9 THR N N 9 116.052 116.052 116.825 -0.773 25817 3764 1 16 . 1 1 9 9 THR HA H 9 4.204 4.204 4.000 0.204 25817 3765 1 16 . 1 1 9 9 THR C C 9 176.094 176.094 177.050 -0.956 25817 3766 1 16 . 1 1 9 9 THR CA C 9 67.399 67.399 66.406 0.994 25817 3767 1 16 . 1 1 9 9 THR H H 9 7.900 7.900 7.837 0.063 25817 3768 1 16 . 1 1 10 10 LEU N N 10 119.799 119.799 121.783 -1.984 25817 3769 1 16 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.095 -0.120 25817 3770 1 16 . 1 1 10 10 LEU C C 10 177.752 177.752 179.108 -1.356 25817 3771 1 16 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.553 -0.276 25817 3772 1 16 . 1 1 10 10 LEU CB C 10 42.380 42.380 40.948 1.432 25817 3773 1 16 . 1 1 10 10 LEU H H 10 8.045 8.045 8.223 -0.178 25817 3774 1 16 . 1 1 11 11 THR N N 11 114.472 114.472 116.398 -1.926 25817 3775 1 16 . 1 1 11 11 THR HA H 11 4.200 4.200 4.063 0.137 25817 3776 1 16 . 1 1 11 11 THR C C 11 176.296 176.296 177.135 -0.839 25817 3777 1 16 . 1 1 11 11 THR CA C 11 68.061 68.061 67.033 1.028 25817 3778 1 16 . 1 1 11 11 THR H H 11 7.904 7.904 7.828 0.076 25817 3779 1 16 . 1 1 12 12 VAL N N 12 120.338 120.338 121.152 -0.814 25817 3780 1 16 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.631 -0.069 25817 3781 1 16 . 1 1 12 12 VAL C C 12 177.759 177.759 177.889 -0.130 25817 3782 1 16 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.999 -0.075 25817 3783 1 16 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.512 0.054 25817 3784 1 16 . 1 1 12 12 VAL H H 12 8.297 8.297 8.170 0.127 25817 3785 1 16 . 1 1 13 13 GLY N N 13 106.329 106.329 108.079 -1.750 25817 3786 1 16 . 1 1 13 13 GLY C C 13 174.383 174.383 175.754 -1.371 25817 3787 1 16 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.360 0.393 25817 3788 1 16 . 1 1 13 13 GLY H H 13 8.519 8.519 8.577 -0.058 25817 3789 1 16 . 1 1 14 14 PHE N N 14 120.488 120.488 123.296 -2.808 25817 3790 1 16 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.211 -0.011 25817 3791 1 16 . 1 1 14 14 PHE C C 14 177.591 177.591 177.436 0.155 25817 3792 1 16 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.399 1.223 25817 3793 1 16 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.008 -0.092 25817 3794 1 16 . 1 1 14 14 PHE H H 14 8.641 8.641 8.665 -0.024 25817 3795 1 16 . 1 1 15 15 GLY N N 15 106.569 106.569 107.768 -1.199 25817 3796 1 16 . 1 1 15 15 GLY C C 15 174.533 174.533 176.132 -1.599 25817 3797 1 16 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.186 0.446 25817 3798 1 16 . 1 1 15 15 GLY H H 15 8.573 8.573 8.253 0.320 25817 3799 1 16 . 1 1 16 16 ILE N N 16 120.720 120.720 123.070 -2.350 25817 3800 1 16 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.744 -0.119 25817 3801 1 16 . 1 1 16 16 ILE C C 16 178.658 178.658 177.941 0.717 25817 3802 1 16 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.392 1.038 25817 3803 1 16 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.417 -0.229 25817 3804 1 16 . 1 1 16 16 ILE H H 16 8.573 8.573 8.148 0.425 25817 3805 1 16 . 1 1 17 17 LEU N N 17 123.135 123.135 120.341 2.794 25817 3806 1 16 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.880 0.073 25817 3807 1 16 . 1 1 17 17 LEU C C 17 178.226 178.226 179.178 -0.952 25817 3808 1 16 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.507 0.410 25817 3809 1 16 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.637 -0.091 25817 3810 1 16 . 1 1 17 17 LEU H H 17 8.191 8.191 8.085 0.106 25817 3811 1 16 . 1 1 18 18 ILE N N 18 117.937 117.937 119.645 -1.708 25817 3812 1 16 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.406 0.157 25817 3813 1 16 . 1 1 18 18 ILE C C 18 177.812 177.812 177.705 0.107 25817 3814 1 16 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.488 -0.818 25817 3815 1 16 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.639 -1.127 25817 3816 1 16 . 1 1 18 18 ILE H H 18 8.455 8.455 7.417 1.038 25817 3817 1 16 . 1 1 19 19 PHE N N 19 119.250 119.250 119.240 0.010 25817 3818 1 16 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.964 0.133 25817 3819 1 16 . 1 1 19 19 PHE C C 19 177.133 177.133 177.771 -0.638 25817 3820 1 16 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.177 -0.275 25817 3821 1 16 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.122 0.158 25817 3822 1 16 . 1 1 19 19 PHE H H 19 8.629 8.629 7.980 0.649 25817 3823 1 16 . 1 1 20 20 SER N N 20 114.851 114.851 115.738 -0.887 25817 3824 1 16 . 1 1 20 20 SER HA H 20 4.049 4.049 4.141 -0.092 25817 3825 1 16 . 1 1 20 20 SER C C 20 177.062 177.062 176.765 0.297 25817 3826 1 16 . 1 1 20 20 SER CA C 20 63.443 63.443 61.902 1.541 25817 3827 1 16 . 1 1 20 20 SER H H 20 8.588 8.588 8.568 0.020 25817 3828 1 16 . 1 1 21 21 LEU N N 21 124.926 124.926 123.369 1.557 25817 3829 1 16 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.071 -0.049 25817 3830 1 16 . 1 1 21 21 LEU C C 21 178.183 178.183 178.379 -0.196 25817 3831 1 16 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.895 0.436 25817 3832 1 16 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.943 -0.172 25817 3833 1 16 . 1 1 21 21 LEU H H 21 8.194 8.194 7.876 0.318 25817 3834 1 16 . 1 1 22 22 ILE N N 22 119.416 119.416 119.112 0.304 25817 3835 1 16 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.502 0.110 25817 3836 1 16 . 1 1 22 22 ILE C C 22 178.539 178.539 178.155 0.384 25817 3837 1 16 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.394 0.567 25817 3838 1 16 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.279 0.584 25817 3839 1 16 . 1 1 22 22 ILE H H 22 8.173 8.173 7.813 0.360 25817 3840 1 16 . 1 1 23 23 VAL N N 23 119.631 119.631 120.373 -0.742 25817 3841 1 16 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.701 -0.350 25817 3842 1 16 . 1 1 23 23 VAL C C 23 177.480 177.480 177.981 -0.501 25817 3843 1 16 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.240 1.564 25817 3844 1 16 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.111 0.260 25817 3845 1 16 . 1 1 23 23 VAL H H 23 8.517 8.517 7.765 0.752 25817 3846 1 16 . 1 1 24 24 THR N N 24 115.196 115.196 116.941 -1.745 25817 3847 1 16 . 1 1 24 24 THR HA H 24 4.212 4.212 3.959 0.253 25817 3848 1 16 . 1 1 24 24 THR C C 24 176.559 176.559 176.146 0.413 25817 3849 1 16 . 1 1 24 24 THR CA C 24 68.061 68.061 67.349 0.712 25817 3850 1 16 . 1 1 24 24 THR H H 24 8.009 8.009 7.846 0.163 25817 3851 1 16 . 1 1 25 25 TYR N N 25 121.989 121.989 123.188 -1.199 25817 3852 1 16 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.140 -0.105 25817 3853 1 16 . 1 1 25 25 TYR C C 25 177.742 177.742 177.045 0.697 25817 3854 1 16 . 1 1 25 25 TYR CA C 25 62.488 62.488 61.705 0.783 25817 3855 1 16 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.395 0.371 25817 3856 1 16 . 1 1 25 25 TYR H H 25 8.447 8.447 8.474 -0.027 25817 3857 1 16 . 1 1 26 26 CYS N N 26 117.031 117.031 117.819 -0.788 25817 3858 1 16 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.907 0.022 25817 3859 1 16 . 1 1 26 26 CYS C C 26 176.855 176.855 177.274 -0.419 25817 3860 1 16 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.886 0.491 25817 3861 1 16 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.651 0.640 25817 3862 1 16 . 1 1 26 26 CYS H H 26 8.456 8.456 7.846 0.610 25817 3863 1 16 . 1 1 27 27 ILE N N 27 118.019 118.019 121.049 -3.030 25817 3864 1 16 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.638 0.087 25817 3865 1 16 . 1 1 27 27 ILE C C 27 177.543 177.543 178.042 -0.499 25817 3866 1 16 . 1 1 27 27 ILE CA C 27 64.655 64.655 63.995 0.660 25817 3867 1 16 . 1 1 27 27 ILE CB C 27 37.691 37.691 36.834 0.857 25817 3868 1 16 . 1 1 27 27 ILE H H 27 8.460 8.460 7.756 0.704 25817 3869 1 16 . 1 1 28 28 ASN N N 28 117.725 117.725 118.409 -0.684 25817 3870 1 16 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.306 0.160 25817 3871 1 16 . 1 1 28 28 ASN C C 28 176.330 176.330 177.589 -1.259 25817 3872 1 16 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.176 -0.122 25817 3873 1 16 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.676 1.893 25817 3874 1 16 . 1 1 28 28 ASN H H 28 7.933 7.933 8.239 -0.306 25817 3875 1 16 . 1 1 29 29 ALA N N 29 120.930 120.930 123.258 -2.328 25817 3876 1 16 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.920 0.205 25817 3877 1 16 . 1 1 29 29 ALA C C 29 178.485 178.485 179.158 -0.673 25817 3878 1 16 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.887 -1.241 25817 3879 1 16 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.216 0.587 25817 3880 1 16 . 1 1 29 29 ALA H H 29 8.116 8.116 7.624 0.492 25817 3881 1 16 . 1 1 30 30 LYS N N 30 116.477 116.477 118.104 -1.627 25817 3882 1 16 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.977 0.316 25817 3883 1 16 . 1 1 30 30 LYS C C 30 176.352 176.352 178.313 -1.961 25817 3884 1 16 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.517 -2.615 25817 3885 1 16 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.134 0.012 25817 3886 1 16 . 1 1 30 30 LYS H H 30 7.710 7.710 7.624 0.086 25817 3887 1 16 . 1 1 31 31 ALA N N 31 122.148 122.148 122.227 -0.079 25817 3888 1 16 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.272 -0.039 25817 3889 1 16 . 1 1 31 31 ALA C C 31 177.308 177.308 179.621 -2.313 25817 3890 1 16 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.354 -1.012 25817 3891 1 16 . 1 1 31 31 ALA CB C 31 19.468 19.468 19.201 0.267 25817 3892 1 16 . 1 1 31 31 ALA H H 31 7.881 7.881 7.790 0.091 25817 3893 1 16 . 1 1 32 32 ASP N N 32 117.233 117.233 120.138 -2.905 25817 3894 1 16 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.687 -0.159 25817 3895 1 16 . 1 1 32 32 ASP C C 32 176.069 176.069 178.647 -2.578 25817 3896 1 16 . 1 1 32 32 ASP CA C 32 54.773 54.773 56.968 -2.196 25817 3897 1 16 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.278 -0.058 25817 3898 1 16 . 1 1 32 32 ASP H H 32 8.251 8.251 8.258 -0.007 25817 3899 1 16 . 1 1 33 33 VAL N N 33 116.751 116.751 117.899 -1.148 25817 3900 1 16 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.862 0.240 25817 3901 1 16 . 1 1 33 33 VAL C C 33 175.474 175.474 176.500 -1.026 25817 3902 1 16 . 1 1 33 33 VAL CA C 33 62.618 62.618 63.780 -1.162 25817 3903 1 16 . 1 1 33 33 VAL CB C 33 32.807 32.807 30.973 1.834 25817 3904 1 16 . 1 1 33 33 VAL H H 33 7.647 7.647 7.663 -0.017 25817 3905 1 16 . 1 1 34 34 LEU N N 34 121.923 121.923 119.160 2.763 25817 3906 1 16 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.187 0.077 25817 3907 1 16 . 1 1 34 34 LEU C C 34 176.502 176.502 175.986 0.516 25817 3908 1 16 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.289 0.014 25817 3909 1 16 . 1 1 34 34 LEU CB C 34 42.665 42.665 41.857 0.808 25817 3910 1 16 . 1 1 34 34 LEU H H 34 7.876 7.876 7.569 0.307 25817 3911 1 16 . 1 1 35 35 PHE N N 35 118.600 118.600 118.170 0.430 25817 3912 1 16 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.724 -0.129 25817 3913 1 16 . 1 1 35 35 PHE C C 35 175.009 175.009 176.266 -1.257 25817 3914 1 16 . 1 1 35 35 PHE CA C 35 57.958 57.958 57.109 0.849 25817 3915 1 16 . 1 1 35 35 PHE CB C 35 39.289 39.289 40.567 -1.278 25817 3916 1 16 . 1 1 35 35 PHE H H 35 7.788 7.788 7.486 0.302 25817 3917 1 16 . 1 1 36 36 ILE N N 36 119.235 119.235 120.436 -1.201 25817 3918 1 16 . 1 1 36 36 ILE HA H 36 4.106 4.106 4.186 -0.080 25817 3919 1 16 . 1 1 36 36 ILE C C 36 174.800 174.800 175.670 -0.870 25817 3920 1 16 . 1 1 36 36 ILE CA C 36 60.816 60.816 60.306 0.510 25817 3921 1 16 . 1 1 36 36 ILE CB C 36 38.959 38.959 36.490 2.469 25817 3922 1 16 . 1 1 36 36 ILE H H 36 7.489 7.489 8.398 -0.909 25817 3923 1 16 . 1 1 37 37 ALA N N 37 126.894 126.894 124.479 2.415 25817 3924 1 16 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.300 0.223 25817 3925 1 16 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.553 -0.892 25817 3926 1 16 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.450 -0.065 25817 3927 1 16 . 1 1 37 37 ALA H H 37 7.923 7.923 7.818 0.105 25817 3928 1 16 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.476 -0.070 25817 3929 1 16 . 1 1 38 38 PRO C C 38 176.806 176.806 175.644 1.162 25817 3930 1 16 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.640 0.342 25817 3931 1 16 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.509 -0.660 25817 3932 1 16 . 1 1 39 39 ARG N N 39 119.994 119.994 118.229 1.765 25817 3933 1 16 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.632 -0.332 25817 3934 1 16 . 1 1 39 39 ARG C C 39 175.960 175.960 175.195 0.765 25817 3935 1 16 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.642 0.166 25817 3936 1 16 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.964 -0.956 25817 3937 1 16 . 1 1 39 39 ARG H H 39 8.088 8.088 8.323 -0.235 25817 3938 1 16 . 1 1 40 40 GLU N N 40 122.023 122.023 124.223 -2.200 25817 3939 1 16 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.766 -0.174 25817 3940 1 16 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.210 0.901 25817 3941 1 16 . 1 1 40 40 GLU CB C 40 29.669 29.669 28.899 0.770 25817 3942 1 16 . 1 1 40 40 GLU H H 40 8.179 8.179 8.438 -0.259 25817 3943 1 16 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.328 0.067 25817 3944 1 16 . 1 1 41 41 PRO C C 41 177.650 177.650 176.700 0.950 25817 3945 1 16 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.482 0.239 25817 3946 1 16 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.908 -0.114 25817 3947 1 16 . 1 1 42 42 GLY N N 42 108.968 108.968 104.259 4.709 25817 3948 1 16 . 1 1 42 42 GLY C C 42 173.943 173.943 173.601 0.342 25817 3949 1 16 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.745 0.562 25817 3950 1 16 . 1 1 42 42 GLY H H 42 8.387 8.387 8.132 0.255 25817 3951 1 16 . 1 1 43 43 ALA N N 43 123.557 123.557 121.159 2.398 25817 3952 1 16 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.212 0.108 25817 3953 1 16 . 1 1 43 43 ALA C C 43 177.613 177.613 177.065 0.548 25817 3954 1 16 . 1 1 43 43 ALA CA C 43 52.536 52.536 52.203 0.333 25817 3955 1 16 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.903 0.355 25817 3956 1 16 . 1 1 43 43 ALA H H 43 7.963 7.963 7.779 0.184 25817 3957 1 16 . 1 1 44 44 VAL N N 44 118.502 118.502 122.412 -3.910 25817 3958 1 16 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.964 0.141 25817 3959 1 16 . 1 1 44 44 VAL C C 44 175.735 175.735 177.077 -1.342 25817 3960 1 16 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.081 -2.062 25817 3961 1 16 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.120 0.781 25817 3962 1 16 . 1 1 44 44 VAL H H 44 7.940 7.940 8.415 -0.475 25817 3963 1 16 . 1 1 45 45 SER N N 45 119.252 119.252 111.789 7.463 25817 3964 1 16 . 1 1 45 45 SER HA H 45 4.438 4.438 4.542 -0.104 25817 3965 1 16 . 1 1 45 45 SER C C 45 172.924 172.924 174.039 -1.115 25817 3966 1 16 . 1 1 45 45 SER CA C 45 57.844 57.844 58.354 -0.510 25817 3967 1 16 . 1 1 45 45 SER CB C 45 64.261 64.261 64.183 0.078 25817 3968 1 16 . 1 1 45 45 SER H H 45 8.082 8.082 8.163 -0.081 25817 3969 1 17 . 1 1 2 2 SER N N 2 114.638 114.638 115.646 -1.008 25817 3970 1 17 . 1 1 2 2 SER HA H 2 4.435 4.435 4.228 0.207 25817 3971 1 17 . 1 1 2 2 SER C C 2 174.655 174.655 176.272 -1.617 25817 3972 1 17 . 1 1 2 2 SER CA C 2 58.287 58.287 60.667 -2.380 25817 3973 1 17 . 1 1 2 2 SER CB C 2 64.193 64.193 62.871 1.322 25817 3974 1 17 . 1 1 2 2 SER H H 2 8.068 8.068 8.582 -0.514 25817 3975 1 17 . 1 1 3 3 LYS N N 3 122.754 122.754 120.209 2.545 25817 3976 1 17 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.119 0.087 25817 3977 1 17 . 1 1 3 3 LYS C C 3 177.164 177.164 178.551 -1.387 25817 3978 1 17 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.440 -1.387 25817 3979 1 17 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.143 -0.115 25817 3980 1 17 . 1 1 3 3 LYS H H 3 8.368 8.368 8.445 -0.077 25817 3981 1 17 . 1 1 4 4 GLU N N 4 118.462 118.462 119.160 -0.698 25817 3982 1 17 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.128 -0.090 25817 3983 1 17 . 1 1 4 4 GLU C C 4 177.164 177.164 178.907 -1.743 25817 3984 1 17 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.040 0.245 25817 3985 1 17 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.085 -0.321 25817 3986 1 17 . 1 1 4 4 GLU H H 4 8.411 8.411 8.272 0.139 25817 3987 1 17 . 1 1 5 5 LEU N N 5 119.346 119.346 120.696 -1.350 25817 3988 1 17 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.966 0.210 25817 3989 1 17 . 1 1 5 5 LEU C C 5 179.105 179.105 179.297 -0.192 25817 3990 1 17 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.280 -1.205 25817 3991 1 17 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.776 0.070 25817 3992 1 17 . 1 1 5 5 LEU H H 5 7.879 7.879 8.044 -0.165 25817 3993 1 17 . 1 1 6 6 GLU N N 6 120.818 120.818 119.353 1.465 25817 3994 1 17 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.046 -0.071 25817 3995 1 17 . 1 1 6 6 GLU C C 6 177.071 177.071 179.445 -2.374 25817 3996 1 17 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.544 -0.293 25817 3997 1 17 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.425 -0.997 25817 3998 1 17 . 1 1 6 6 GLU H H 6 8.349 8.349 7.977 0.372 25817 3999 1 17 . 1 1 7 7 LEU N N 7 118.820 118.820 120.847 -2.027 25817 4000 1 17 . 1 1 7 7 LEU HA H 7 4.094 4.094 4.006 0.088 25817 4001 1 17 . 1 1 7 7 LEU C C 7 179.724 179.724 179.048 0.676 25817 4002 1 17 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.218 -0.190 25817 4003 1 17 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.977 -0.072 25817 4004 1 17 . 1 1 7 7 LEU H H 7 8.219 8.219 7.790 0.429 25817 4005 1 17 . 1 1 8 8 ILE N N 8 120.124 120.124 119.110 1.014 25817 4006 1 17 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.673 0.048 25817 4007 1 17 . 1 1 8 8 ILE C C 8 176.524 176.524 178.127 -1.603 25817 4008 1 17 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.451 -0.351 25817 4009 1 17 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.672 0.382 25817 4010 1 17 . 1 1 8 8 ILE H H 8 8.336 8.336 7.981 0.355 25817 4011 1 17 . 1 1 9 9 THR N N 9 116.052 116.052 117.149 -1.097 25817 4012 1 17 . 1 1 9 9 THR HA H 9 4.204 4.204 4.097 0.107 25817 4013 1 17 . 1 1 9 9 THR C C 9 176.094 176.094 176.494 -0.400 25817 4014 1 17 . 1 1 9 9 THR CA C 9 67.399 67.399 66.587 0.812 25817 4015 1 17 . 1 1 9 9 THR H H 9 7.900 7.900 7.964 -0.064 25817 4016 1 17 . 1 1 10 10 LEU N N 10 119.799 119.799 121.919 -2.120 25817 4017 1 17 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.964 0.011 25817 4018 1 17 . 1 1 10 10 LEU C C 10 177.752 177.752 178.708 -0.956 25817 4019 1 17 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.636 -0.360 25817 4020 1 17 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.742 0.638 25817 4021 1 17 . 1 1 10 10 LEU H H 10 8.045 8.045 8.506 -0.461 25817 4022 1 17 . 1 1 11 11 THR N N 11 114.472 114.472 116.160 -1.688 25817 4023 1 17 . 1 1 11 11 THR HA H 11 4.200 4.200 4.042 0.158 25817 4024 1 17 . 1 1 11 11 THR C C 11 176.296 176.296 176.688 -0.392 25817 4025 1 17 . 1 1 11 11 THR CA C 11 68.061 68.061 67.465 0.596 25817 4026 1 17 . 1 1 11 11 THR H H 11 7.904 7.904 7.795 0.109 25817 4027 1 17 . 1 1 12 12 VAL N N 12 120.338 120.338 121.338 -1.000 25817 4028 1 17 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.601 -0.039 25817 4029 1 17 . 1 1 12 12 VAL C C 12 177.759 177.759 177.950 -0.191 25817 4030 1 17 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.054 -0.130 25817 4031 1 17 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.556 0.010 25817 4032 1 17 . 1 1 12 12 VAL H H 12 8.297 8.297 7.705 0.592 25817 4033 1 17 . 1 1 13 13 GLY N N 13 106.329 106.329 107.398 -1.069 25817 4034 1 17 . 1 1 13 13 GLY C C 13 174.383 174.383 175.830 -1.447 25817 4035 1 17 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.233 0.520 25817 4036 1 17 . 1 1 13 13 GLY H H 13 8.519 8.519 8.278 0.241 25817 4037 1 17 . 1 1 14 14 PHE N N 14 120.488 120.488 123.308 -2.820 25817 4038 1 17 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.191 0.009 25817 4039 1 17 . 1 1 14 14 PHE C C 14 177.591 177.591 177.310 0.281 25817 4040 1 17 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.649 0.973 25817 4041 1 17 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.078 -0.161 25817 4042 1 17 . 1 1 14 14 PHE H H 14 8.641 8.641 8.555 0.086 25817 4043 1 17 . 1 1 15 15 GLY N N 15 106.569 106.569 107.562 -0.993 25817 4044 1 17 . 1 1 15 15 GLY C C 15 174.533 174.533 176.069 -1.536 25817 4045 1 17 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.413 0.219 25817 4046 1 17 . 1 1 15 15 GLY H H 15 8.573 8.573 8.791 -0.218 25817 4047 1 17 . 1 1 16 16 ILE N N 16 120.720 120.720 122.731 -2.011 25817 4048 1 17 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.782 -0.157 25817 4049 1 17 . 1 1 16 16 ILE C C 16 178.658 178.658 177.323 1.335 25817 4050 1 17 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.695 0.734 25817 4051 1 17 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.109 -0.921 25817 4052 1 17 . 1 1 16 16 ILE H H 16 8.573 8.573 7.666 0.907 25817 4053 1 17 . 1 1 17 17 LEU N N 17 123.135 123.135 121.561 1.574 25817 4054 1 17 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.918 0.035 25817 4055 1 17 . 1 1 17 17 LEU C C 17 178.226 178.226 178.685 -0.459 25817 4056 1 17 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.451 0.466 25817 4057 1 17 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.753 -0.207 25817 4058 1 17 . 1 1 17 17 LEU H H 17 8.191 8.191 7.784 0.407 25817 4059 1 17 . 1 1 18 18 ILE N N 18 117.937 117.937 118.982 -1.045 25817 4060 1 17 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.546 0.017 25817 4061 1 17 . 1 1 18 18 ILE C C 18 177.812 177.812 177.968 -0.156 25817 4062 1 17 . 1 1 18 18 ILE CA C 18 64.670 64.670 63.487 1.183 25817 4063 1 17 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.235 0.277 25817 4064 1 17 . 1 1 18 18 ILE H H 18 8.455 8.455 7.533 0.922 25817 4065 1 17 . 1 1 19 19 PHE N N 19 119.250 119.250 120.416 -1.166 25817 4066 1 17 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.998 0.099 25817 4067 1 17 . 1 1 19 19 PHE C C 19 177.133 177.133 178.029 -0.896 25817 4068 1 17 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.258 -0.356 25817 4069 1 17 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.824 0.456 25817 4070 1 17 . 1 1 19 19 PHE H H 19 8.629 8.629 7.816 0.813 25817 4071 1 17 . 1 1 20 20 SER N N 20 114.851 114.851 115.561 -0.710 25817 4072 1 17 . 1 1 20 20 SER HA H 20 4.049 4.049 4.133 -0.084 25817 4073 1 17 . 1 1 20 20 SER C C 20 177.062 177.062 176.620 0.442 25817 4074 1 17 . 1 1 20 20 SER CA C 20 63.443 63.443 61.829 1.614 25817 4075 1 17 . 1 1 20 20 SER H H 20 8.588 8.588 8.697 -0.109 25817 4076 1 17 . 1 1 21 21 LEU N N 21 124.926 124.926 123.642 1.284 25817 4077 1 17 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.085 -0.063 25817 4078 1 17 . 1 1 21 21 LEU C C 21 178.183 178.183 178.306 -0.123 25817 4079 1 17 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.078 0.253 25817 4080 1 17 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.381 0.390 25817 4081 1 17 . 1 1 21 21 LEU H H 21 8.194 8.194 7.737 0.457 25817 4082 1 17 . 1 1 22 22 ILE N N 22 119.416 119.416 118.906 0.510 25817 4083 1 17 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.582 0.030 25817 4084 1 17 . 1 1 22 22 ILE C C 22 178.539 178.539 178.431 0.108 25817 4085 1 17 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.614 0.347 25817 4086 1 17 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.658 0.205 25817 4087 1 17 . 1 1 22 22 ILE H H 22 8.173 8.173 7.757 0.416 25817 4088 1 17 . 1 1 23 23 VAL N N 23 119.631 119.631 120.558 -0.927 25817 4089 1 17 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.661 -0.310 25817 4090 1 17 . 1 1 23 23 VAL C C 23 177.480 177.480 177.688 -0.208 25817 4091 1 17 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.412 0.392 25817 4092 1 17 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.869 -0.498 25817 4093 1 17 . 1 1 23 23 VAL H H 23 8.517 8.517 7.793 0.724 25817 4094 1 17 . 1 1 24 24 THR N N 24 115.196 115.196 117.480 -2.284 25817 4095 1 17 . 1 1 24 24 THR HA H 24 4.212 4.212 3.912 0.300 25817 4096 1 17 . 1 1 24 24 THR C C 24 176.559 176.559 176.481 0.078 25817 4097 1 17 . 1 1 24 24 THR CA C 24 68.061 68.061 67.161 0.900 25817 4098 1 17 . 1 1 24 24 THR H H 24 8.009 8.009 8.429 -0.420 25817 4099 1 17 . 1 1 25 25 TYR N N 25 121.989 121.989 122.840 -0.851 25817 4100 1 17 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.183 -0.148 25817 4101 1 17 . 1 1 25 25 TYR C C 25 177.742 177.742 176.948 0.794 25817 4102 1 17 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.170 0.318 25817 4103 1 17 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.501 0.265 25817 4104 1 17 . 1 1 25 25 TYR H H 25 8.447 8.447 8.543 -0.096 25817 4105 1 17 . 1 1 26 26 CYS N N 26 117.031 117.031 118.450 -1.419 25817 4106 1 17 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.853 0.076 25817 4107 1 17 . 1 1 26 26 CYS C C 26 176.855 176.855 177.103 -0.248 25817 4108 1 17 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.441 -0.064 25817 4109 1 17 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.516 -0.225 25817 4110 1 17 . 1 1 26 26 CYS H H 26 8.456 8.456 7.930 0.526 25817 4111 1 17 . 1 1 27 27 ILE N N 27 118.019 118.019 120.573 -2.554 25817 4112 1 17 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.494 0.231 25817 4113 1 17 . 1 1 27 27 ILE C C 27 177.543 177.543 177.689 -0.146 25817 4114 1 17 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.841 -1.186 25817 4115 1 17 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.707 -0.016 25817 4116 1 17 . 1 1 27 27 ILE H H 27 8.460 8.460 8.014 0.446 25817 4117 1 17 . 1 1 28 28 ASN N N 28 117.725 117.725 118.293 -0.568 25817 4118 1 17 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.307 0.159 25817 4119 1 17 . 1 1 28 28 ASN C C 28 176.330 176.330 177.431 -1.101 25817 4120 1 17 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.325 -0.271 25817 4121 1 17 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.804 1.765 25817 4122 1 17 . 1 1 28 28 ASN H H 28 7.933 7.933 7.914 0.019 25817 4123 1 17 . 1 1 29 29 ALA N N 29 120.930 120.930 123.054 -2.124 25817 4124 1 17 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.902 0.223 25817 4125 1 17 . 1 1 29 29 ALA C C 29 178.485 178.485 179.579 -1.094 25817 4126 1 17 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.014 -1.368 25817 4127 1 17 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.300 0.502 25817 4128 1 17 . 1 1 29 29 ALA H H 29 8.116 8.116 7.950 0.166 25817 4129 1 17 . 1 1 30 30 LYS N N 30 116.477 116.477 118.928 -2.451 25817 4130 1 17 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.937 0.356 25817 4131 1 17 . 1 1 30 30 LYS C C 30 176.352 176.352 178.853 -2.501 25817 4132 1 17 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.309 -3.409 25817 4133 1 17 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.441 -0.295 25817 4134 1 17 . 1 1 30 30 LYS H H 30 7.710 7.710 7.821 -0.111 25817 4135 1 17 . 1 1 31 31 ALA N N 31 122.148 122.148 122.522 -0.374 25817 4136 1 17 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.113 0.120 25817 4137 1 17 . 1 1 31 31 ALA C C 31 177.308 177.308 179.650 -2.342 25817 4138 1 17 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.336 -1.994 25817 4139 1 17 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.083 1.385 25817 4140 1 17 . 1 1 31 31 ALA H H 31 7.881 7.881 8.596 -0.715 25817 4141 1 17 . 1 1 32 32 ASP N N 32 117.233 117.233 119.014 -1.781 25817 4142 1 17 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.415 0.113 25817 4143 1 17 . 1 1 32 32 ASP C C 32 176.069 176.069 178.496 -2.427 25817 4144 1 17 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.543 -2.770 25817 4145 1 17 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.304 -0.084 25817 4146 1 17 . 1 1 32 32 ASP H H 32 8.251 8.251 8.263 -0.012 25817 4147 1 17 . 1 1 33 33 VAL N N 33 116.751 116.751 119.918 -3.167 25817 4148 1 17 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.719 0.383 25817 4149 1 17 . 1 1 33 33 VAL C C 33 175.474 175.474 178.017 -2.543 25817 4150 1 17 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.000 -3.382 25817 4151 1 17 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.660 1.147 25817 4152 1 17 . 1 1 33 33 VAL H H 33 7.647 7.647 7.574 0.073 25817 4153 1 17 . 1 1 34 34 LEU N N 34 121.923 121.923 120.250 1.673 25817 4154 1 17 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.754 0.510 25817 4155 1 17 . 1 1 34 34 LEU C C 34 176.502 176.502 177.375 -0.873 25817 4156 1 17 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.844 -2.541 25817 4157 1 17 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.051 0.614 25817 4158 1 17 . 1 1 34 34 LEU H H 34 7.876 7.876 7.965 -0.089 25817 4159 1 17 . 1 1 35 35 PHE N N 35 118.600 118.600 115.973 2.627 25817 4160 1 17 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.631 -0.036 25817 4161 1 17 . 1 1 35 35 PHE C C 35 175.009 175.009 175.350 -0.341 25817 4162 1 17 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.686 1.272 25817 4163 1 17 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.254 0.035 25817 4164 1 17 . 1 1 35 35 PHE H H 35 7.788 7.788 7.546 0.242 25817 4165 1 17 . 1 1 36 36 ILE N N 36 119.235 119.235 122.267 -3.032 25817 4166 1 17 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.784 0.322 25817 4167 1 17 . 1 1 36 36 ILE C C 36 174.800 174.800 175.667 -0.867 25817 4168 1 17 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.868 -1.052 25817 4169 1 17 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.010 3.949 25817 4170 1 17 . 1 1 36 36 ILE H H 36 7.489 7.489 8.067 -0.578 25817 4171 1 17 . 1 1 37 37 ALA N N 37 126.894 126.894 129.688 -2.794 25817 4172 1 17 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.826 -0.303 25817 4173 1 17 . 1 1 37 37 ALA CA C 37 50.662 50.662 49.600 1.062 25817 4174 1 17 . 1 1 37 37 ALA CB C 37 18.385 18.385 19.633 -1.248 25817 4175 1 17 . 1 1 37 37 ALA H H 37 7.923 7.923 8.637 -0.714 25817 4176 1 17 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.241 0.165 25817 4177 1 17 . 1 1 38 38 PRO C C 38 176.806 176.806 176.178 0.628 25817 4178 1 17 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.553 -0.571 25817 4179 1 17 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.105 -0.256 25817 4180 1 17 . 1 1 39 39 ARG N N 39 119.994 119.994 122.763 -2.769 25817 4181 1 17 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.464 -0.164 25817 4182 1 17 . 1 1 39 39 ARG C C 39 175.960 175.960 176.077 -0.117 25817 4183 1 17 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.997 0.811 25817 4184 1 17 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.622 -0.614 25817 4185 1 17 . 1 1 39 39 ARG H H 39 8.088 8.088 8.158 -0.070 25817 4186 1 17 . 1 1 40 40 GLU N N 40 122.023 122.023 121.675 0.348 25817 4187 1 17 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.657 -0.065 25817 4188 1 17 . 1 1 40 40 GLU CA C 40 54.111 54.111 54.406 -0.295 25817 4189 1 17 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.891 -0.222 25817 4190 1 17 . 1 1 40 40 GLU H H 40 8.179 8.179 8.553 -0.374 25817 4191 1 17 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.177 0.218 25817 4192 1 17 . 1 1 41 41 PRO C C 41 177.650 177.650 177.875 -0.225 25817 4193 1 17 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.162 -0.441 25817 4194 1 17 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.921 -0.127 25817 4195 1 17 . 1 1 42 42 GLY N N 42 108.968 108.968 111.430 -2.462 25817 4196 1 17 . 1 1 42 42 GLY C C 42 173.943 173.943 174.749 -0.806 25817 4197 1 17 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.364 -0.056 25817 4198 1 17 . 1 1 42 42 GLY H H 42 8.387 8.387 8.571 -0.184 25817 4199 1 17 . 1 1 43 43 ALA N N 43 123.557 123.557 124.365 -0.808 25817 4200 1 17 . 1 1 43 43 ALA HA H 43 4.320 4.320 3.883 0.437 25817 4201 1 17 . 1 1 43 43 ALA C C 43 177.613 177.613 178.190 -0.577 25817 4202 1 17 . 1 1 43 43 ALA CA C 43 52.536 52.536 54.739 -2.203 25817 4203 1 17 . 1 1 43 43 ALA CB C 43 19.258 19.258 17.060 2.198 25817 4204 1 17 . 1 1 43 43 ALA H H 43 7.963 7.963 7.821 0.142 25817 4205 1 17 . 1 1 44 44 VAL N N 44 118.502 118.502 122.916 -4.414 25817 4206 1 17 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.935 0.170 25817 4207 1 17 . 1 1 44 44 VAL C C 44 175.735 175.735 176.337 -0.602 25817 4208 1 17 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.481 -2.462 25817 4209 1 17 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.121 0.780 25817 4210 1 17 . 1 1 44 44 VAL H H 44 7.940 7.940 8.565 -0.625 25817 4211 1 17 . 1 1 45 45 SER N N 45 119.252 119.252 111.687 7.565 25817 4212 1 17 . 1 1 45 45 SER HA H 45 4.438 4.438 4.063 0.375 25817 4213 1 17 . 1 1 45 45 SER C C 45 172.924 172.924 173.325 -0.401 25817 4214 1 17 . 1 1 45 45 SER CA C 45 57.844 57.844 58.818 -0.974 25817 4215 1 17 . 1 1 45 45 SER CB C 45 64.261 64.261 62.260 2.001 25817 4216 1 17 . 1 1 45 45 SER H H 45 8.082 8.082 8.081 0.001 25817 4217 1 18 . 1 1 2 2 SER N N 2 114.638 114.638 116.292 -1.654 25817 4218 1 18 . 1 1 2 2 SER HA H 2 4.435 4.435 4.355 0.080 25817 4219 1 18 . 1 1 2 2 SER C C 2 174.655 174.655 175.916 -1.261 25817 4220 1 18 . 1 1 2 2 SER CA C 2 58.287 58.287 57.822 0.465 25817 4221 1 18 . 1 1 2 2 SER CB C 2 64.193 64.193 64.282 -0.089 25817 4222 1 18 . 1 1 2 2 SER H H 2 8.068 8.068 8.050 0.018 25817 4223 1 18 . 1 1 3 3 LYS N N 3 122.754 122.754 124.648 -1.894 25817 4224 1 18 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.951 0.255 25817 4225 1 18 . 1 1 3 3 LYS C C 3 177.164 177.164 178.985 -1.821 25817 4226 1 18 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.970 -1.917 25817 4227 1 18 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.287 -0.259 25817 4228 1 18 . 1 1 3 3 LYS H H 3 8.368 8.368 8.741 -0.373 25817 4229 1 18 . 1 1 4 4 GLU N N 4 118.462 118.462 119.912 -1.450 25817 4230 1 18 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.152 -0.114 25817 4231 1 18 . 1 1 4 4 GLU C C 4 177.164 177.164 178.715 -1.551 25817 4232 1 18 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.372 -0.087 25817 4233 1 18 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.074 -0.309 25817 4234 1 18 . 1 1 4 4 GLU H H 4 8.411 8.411 8.442 -0.031 25817 4235 1 18 . 1 1 5 5 LEU N N 5 119.346 119.346 118.818 0.528 25817 4236 1 18 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.082 0.094 25817 4237 1 18 . 1 1 5 5 LEU C C 5 179.105 179.105 179.578 -0.473 25817 4238 1 18 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.840 -0.765 25817 4239 1 18 . 1 1 5 5 LEU CB C 5 41.846 41.846 40.983 0.863 25817 4240 1 18 . 1 1 5 5 LEU H H 5 7.879 7.879 7.953 -0.074 25817 4241 1 18 . 1 1 6 6 GLU N N 6 120.818 120.818 120.000 0.818 25817 4242 1 18 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.044 -0.068 25817 4243 1 18 . 1 1 6 6 GLU C C 6 177.071 177.071 179.192 -2.121 25817 4244 1 18 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.579 -0.328 25817 4245 1 18 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.445 -1.017 25817 4246 1 18 . 1 1 6 6 GLU H H 6 8.349 8.349 8.346 0.003 25817 4247 1 18 . 1 1 7 7 LEU N N 7 118.820 118.820 120.486 -1.666 25817 4248 1 18 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.952 0.142 25817 4249 1 18 . 1 1 7 7 LEU C C 7 179.724 179.724 179.118 0.606 25817 4250 1 18 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.419 -0.390 25817 4251 1 18 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.016 -0.110 25817 4252 1 18 . 1 1 7 7 LEU H H 7 8.219 8.219 8.107 0.112 25817 4253 1 18 . 1 1 8 8 ILE N N 8 120.124 120.124 118.950 1.174 25817 4254 1 18 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.602 0.119 25817 4255 1 18 . 1 1 8 8 ILE C C 8 176.524 176.524 178.040 -1.516 25817 4256 1 18 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.606 -0.506 25817 4257 1 18 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.694 0.360 25817 4258 1 18 . 1 1 8 8 ILE H H 8 8.336 8.336 7.956 0.380 25817 4259 1 18 . 1 1 9 9 THR N N 9 116.052 116.052 116.751 -0.699 25817 4260 1 18 . 1 1 9 9 THR HA H 9 4.204 4.204 3.998 0.206 25817 4261 1 18 . 1 1 9 9 THR C C 9 176.094 176.094 176.388 -0.294 25817 4262 1 18 . 1 1 9 9 THR CA C 9 67.399 67.399 67.179 0.220 25817 4263 1 18 . 1 1 9 9 THR H H 9 7.900 7.900 7.727 0.173 25817 4264 1 18 . 1 1 10 10 LEU N N 10 119.799 119.799 121.845 -2.046 25817 4265 1 18 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.053 -0.078 25817 4266 1 18 . 1 1 10 10 LEU C C 10 177.752 177.752 178.205 -0.453 25817 4267 1 18 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.410 -0.133 25817 4268 1 18 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.956 0.424 25817 4269 1 18 . 1 1 10 10 LEU H H 10 8.045 8.045 8.238 -0.193 25817 4270 1 18 . 1 1 11 11 THR N N 11 114.472 114.472 116.345 -1.873 25817 4271 1 18 . 1 1 11 11 THR HA H 11 4.200 4.200 4.076 0.124 25817 4272 1 18 . 1 1 11 11 THR C C 11 176.296 176.296 176.814 -0.518 25817 4273 1 18 . 1 1 11 11 THR CA C 11 68.061 68.061 67.764 0.297 25817 4274 1 18 . 1 1 11 11 THR H H 11 7.904 7.904 7.863 0.041 25817 4275 1 18 . 1 1 12 12 VAL N N 12 120.338 120.338 121.220 -0.882 25817 4276 1 18 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.757 -0.195 25817 4277 1 18 . 1 1 12 12 VAL C C 12 177.759 177.759 178.146 -0.387 25817 4278 1 18 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.349 0.575 25817 4279 1 18 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.081 0.485 25817 4280 1 18 . 1 1 12 12 VAL H H 12 8.297 8.297 7.976 0.321 25817 4281 1 18 . 1 1 13 13 GLY N N 13 106.329 106.329 108.297 -1.968 25817 4282 1 18 . 1 1 13 13 GLY C C 13 174.383 174.383 175.658 -1.275 25817 4283 1 18 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.192 0.561 25817 4284 1 18 . 1 1 13 13 GLY H H 13 8.519 8.519 8.152 0.367 25817 4285 1 18 . 1 1 14 14 PHE N N 14 120.488 120.488 123.401 -2.913 25817 4286 1 18 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.205 -0.005 25817 4287 1 18 . 1 1 14 14 PHE C C 14 177.591 177.591 177.459 0.132 25817 4288 1 18 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.502 1.120 25817 4289 1 18 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.065 -0.149 25817 4290 1 18 . 1 1 14 14 PHE H H 14 8.641 8.641 8.418 0.223 25817 4291 1 18 . 1 1 15 15 GLY N N 15 106.569 106.569 107.438 -0.869 25817 4292 1 18 . 1 1 15 15 GLY C C 15 174.533 174.533 175.894 -1.361 25817 4293 1 18 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.274 0.358 25817 4294 1 18 . 1 1 15 15 GLY H H 15 8.573 8.573 8.304 0.269 25817 4295 1 18 . 1 1 16 16 ILE N N 16 120.720 120.720 123.113 -2.393 25817 4296 1 18 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.757 -0.132 25817 4297 1 18 . 1 1 16 16 ILE C C 16 178.658 178.658 177.390 1.268 25817 4298 1 18 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.786 0.644 25817 4299 1 18 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.131 -0.943 25817 4300 1 18 . 1 1 16 16 ILE H H 16 8.573 8.573 7.603 0.970 25817 4301 1 18 . 1 1 17 17 LEU N N 17 123.135 123.135 121.961 1.174 25817 4302 1 18 . 1 1 17 17 LEU HA H 17 3.953 3.953 4.041 -0.088 25817 4303 1 18 . 1 1 17 17 LEU C C 17 178.226 178.226 179.003 -0.777 25817 4304 1 18 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.388 0.529 25817 4305 1 18 . 1 1 17 17 LEU CB C 17 41.546 41.546 42.046 -0.500 25817 4306 1 18 . 1 1 17 17 LEU H H 17 8.191 8.191 8.200 -0.009 25817 4307 1 18 . 1 1 18 18 ILE N N 18 117.937 117.937 119.291 -1.354 25817 4308 1 18 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.366 0.197 25817 4309 1 18 . 1 1 18 18 ILE C C 18 177.812 177.812 177.603 0.209 25817 4310 1 18 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.636 -0.966 25817 4311 1 18 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.498 -0.986 25817 4312 1 18 . 1 1 18 18 ILE H H 18 8.455 8.455 7.541 0.914 25817 4313 1 18 . 1 1 19 19 PHE N N 19 119.250 119.250 119.577 -0.327 25817 4314 1 18 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.921 0.176 25817 4315 1 18 . 1 1 19 19 PHE C C 19 177.133 177.133 177.568 -0.435 25817 4316 1 18 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.461 -0.559 25817 4317 1 18 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.939 0.341 25817 4318 1 18 . 1 1 19 19 PHE H H 19 8.629 8.629 7.842 0.787 25817 4319 1 18 . 1 1 20 20 SER N N 20 114.851 114.851 115.262 -0.411 25817 4320 1 18 . 1 1 20 20 SER HA H 20 4.049 4.049 4.104 -0.055 25817 4321 1 18 . 1 1 20 20 SER C C 20 177.062 177.062 176.699 0.363 25817 4322 1 18 . 1 1 20 20 SER CA C 20 63.443 63.443 61.538 1.905 25817 4323 1 18 . 1 1 20 20 SER H H 20 8.588 8.588 8.480 0.108 25817 4324 1 18 . 1 1 21 21 LEU N N 21 124.926 124.926 123.881 1.045 25817 4325 1 18 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.117 -0.095 25817 4326 1 18 . 1 1 21 21 LEU C C 21 178.183 178.183 178.154 0.029 25817 4327 1 18 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.879 0.452 25817 4328 1 18 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.886 -0.115 25817 4329 1 18 . 1 1 21 21 LEU H H 21 8.194 8.194 7.957 0.237 25817 4330 1 18 . 1 1 22 22 ILE N N 22 119.416 119.416 118.864 0.552 25817 4331 1 18 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.627 -0.015 25817 4332 1 18 . 1 1 22 22 ILE C C 22 178.539 178.539 178.195 0.344 25817 4333 1 18 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.531 0.430 25817 4334 1 18 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.322 0.542 25817 4335 1 18 . 1 1 22 22 ILE H H 22 8.173 8.173 8.487 -0.314 25817 4336 1 18 . 1 1 23 23 VAL N N 23 119.631 119.631 121.011 -1.380 25817 4337 1 18 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.761 -0.410 25817 4338 1 18 . 1 1 23 23 VAL C C 23 177.480 177.480 177.929 -0.449 25817 4339 1 18 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.878 0.926 25817 4340 1 18 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.344 0.027 25817 4341 1 18 . 1 1 23 23 VAL H H 23 8.517 8.517 7.696 0.821 25817 4342 1 18 . 1 1 24 24 THR N N 24 115.196 115.196 117.486 -2.290 25817 4343 1 18 . 1 1 24 24 THR HA H 24 4.212 4.212 4.021 0.191 25817 4344 1 18 . 1 1 24 24 THR C C 24 176.559 176.559 176.411 0.148 25817 4345 1 18 . 1 1 24 24 THR CA C 24 68.061 68.061 66.838 1.223 25817 4346 1 18 . 1 1 24 24 THR H H 24 8.009 8.009 7.941 0.068 25817 4347 1 18 . 1 1 25 25 TYR N N 25 121.989 121.989 123.260 -1.271 25817 4348 1 18 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.166 -0.131 25817 4349 1 18 . 1 1 25 25 TYR C C 25 177.742 177.742 176.980 0.762 25817 4350 1 18 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.433 0.055 25817 4351 1 18 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.433 0.333 25817 4352 1 18 . 1 1 25 25 TYR H H 25 8.447 8.447 8.594 -0.147 25817 4353 1 18 . 1 1 26 26 CYS N N 26 117.031 117.031 118.062 -1.031 25817 4354 1 18 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.875 0.054 25817 4355 1 18 . 1 1 26 26 CYS C C 26 176.855 176.855 177.092 -0.237 25817 4356 1 18 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.744 -0.367 25817 4357 1 18 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.591 -0.300 25817 4358 1 18 . 1 1 26 26 CYS H H 26 8.456 8.456 7.997 0.459 25817 4359 1 18 . 1 1 27 27 ILE N N 27 118.019 118.019 120.065 -2.046 25817 4360 1 18 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.530 0.195 25817 4361 1 18 . 1 1 27 27 ILE C C 27 177.543 177.543 177.879 -0.336 25817 4362 1 18 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.171 -0.517 25817 4363 1 18 . 1 1 27 27 ILE CB C 27 37.691 37.691 36.955 0.737 25817 4364 1 18 . 1 1 27 27 ILE H H 27 8.460 8.460 7.968 0.492 25817 4365 1 18 . 1 1 28 28 ASN N N 28 117.725 117.725 118.654 -0.929 25817 4366 1 18 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.280 0.186 25817 4367 1 18 . 1 1 28 28 ASN C C 28 176.330 176.330 177.509 -1.179 25817 4368 1 18 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.365 -0.311 25817 4369 1 18 . 1 1 28 28 ASN CB C 28 39.569 39.569 38.439 1.130 25817 4370 1 18 . 1 1 28 28 ASN H H 28 7.933 7.933 8.147 -0.214 25817 4371 1 18 . 1 1 29 29 ALA N N 29 120.930 120.930 123.200 -2.270 25817 4372 1 18 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.830 0.295 25817 4373 1 18 . 1 1 29 29 ALA C C 29 178.485 178.485 179.544 -1.059 25817 4374 1 18 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.280 -1.634 25817 4375 1 18 . 1 1 29 29 ALA CB C 29 18.803 18.803 17.939 0.864 25817 4376 1 18 . 1 1 29 29 ALA H H 29 8.116 8.116 8.242 -0.126 25817 4377 1 18 . 1 1 30 30 LYS N N 30 116.477 116.477 118.439 -1.962 25817 4378 1 18 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.962 0.331 25817 4379 1 18 . 1 1 30 30 LYS C C 30 176.352 176.352 178.904 -2.552 25817 4380 1 18 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.204 -3.303 25817 4381 1 18 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.300 -0.154 25817 4382 1 18 . 1 1 30 30 LYS H H 30 7.710 7.710 8.043 -0.333 25817 4383 1 18 . 1 1 31 31 ALA N N 31 122.148 122.148 122.346 -0.198 25817 4384 1 18 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.157 0.076 25817 4385 1 18 . 1 1 31 31 ALA C C 31 177.308 177.308 179.824 -2.516 25817 4386 1 18 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.209 -1.867 25817 4387 1 18 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.221 1.247 25817 4388 1 18 . 1 1 31 31 ALA H H 31 7.881 7.881 8.145 -0.264 25817 4389 1 18 . 1 1 32 32 ASP N N 32 117.233 117.233 119.361 -2.128 25817 4390 1 18 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.343 0.185 25817 4391 1 18 . 1 1 32 32 ASP C C 32 176.069 176.069 178.684 -2.615 25817 4392 1 18 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.633 -2.860 25817 4393 1 18 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.247 -0.027 25817 4394 1 18 . 1 1 32 32 ASP H H 32 8.251 8.251 8.388 -0.137 25817 4395 1 18 . 1 1 33 33 VAL N N 33 116.751 116.751 119.494 -2.743 25817 4396 1 18 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.693 0.409 25817 4397 1 18 . 1 1 33 33 VAL C C 33 175.474 175.474 178.182 -2.708 25817 4398 1 18 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.129 -3.511 25817 4399 1 18 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.590 1.217 25817 4400 1 18 . 1 1 33 33 VAL H H 33 7.647 7.647 7.733 -0.086 25817 4401 1 18 . 1 1 34 34 LEU N N 34 121.923 121.923 119.780 2.143 25817 4402 1 18 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.894 0.370 25817 4403 1 18 . 1 1 34 34 LEU C C 34 176.502 176.502 178.046 -1.544 25817 4404 1 18 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.936 -2.633 25817 4405 1 18 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.256 0.409 25817 4406 1 18 . 1 1 34 34 LEU H H 34 7.876 7.876 7.758 0.118 25817 4407 1 18 . 1 1 35 35 PHE N N 35 118.600 118.600 116.949 1.651 25817 4408 1 18 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.592 0.003 25817 4409 1 18 . 1 1 35 35 PHE C C 35 175.009 175.009 174.722 0.287 25817 4410 1 18 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.707 1.251 25817 4411 1 18 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.372 0.917 25817 4412 1 18 . 1 1 35 35 PHE H H 35 7.788 7.788 7.753 0.035 25817 4413 1 18 . 1 1 36 36 ILE N N 36 119.235 119.235 121.130 -1.895 25817 4414 1 18 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.716 0.390 25817 4415 1 18 . 1 1 36 36 ILE C C 36 174.800 174.800 175.769 -0.969 25817 4416 1 18 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.211 -0.395 25817 4417 1 18 . 1 1 36 36 ILE CB C 36 38.959 38.959 34.698 4.261 25817 4418 1 18 . 1 1 36 36 ILE H H 36 7.489 7.489 7.996 -0.507 25817 4419 1 18 . 1 1 37 37 ALA N N 37 126.894 126.894 126.776 0.118 25817 4420 1 18 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.249 0.274 25817 4421 1 18 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.452 -0.790 25817 4422 1 18 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.819 -0.434 25817 4423 1 18 . 1 1 37 37 ALA H H 37 7.923 7.923 8.149 -0.227 25817 4424 1 18 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.229 0.177 25817 4425 1 18 . 1 1 38 38 PRO C C 38 176.806 176.806 176.297 0.509 25817 4426 1 18 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.704 -0.722 25817 4427 1 18 . 1 1 38 38 PRO CB C 38 31.849 31.849 31.848 0.001 25817 4428 1 18 . 1 1 39 39 ARG N N 39 119.994 119.994 123.547 -3.553 25817 4429 1 18 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.435 -0.135 25817 4430 1 18 . 1 1 39 39 ARG C C 39 175.960 175.960 175.425 0.535 25817 4431 1 18 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.112 -0.304 25817 4432 1 18 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.211 -0.203 25817 4433 1 18 . 1 1 39 39 ARG H H 39 8.088 8.088 8.388 -0.300 25817 4434 1 18 . 1 1 40 40 GLU N N 40 122.023 122.023 125.078 -3.055 25817 4435 1 18 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.749 -0.157 25817 4436 1 18 . 1 1 40 40 GLU CA C 40 54.111 54.111 53.263 0.848 25817 4437 1 18 . 1 1 40 40 GLU CB C 40 29.669 29.669 30.396 -0.727 25817 4438 1 18 . 1 1 40 40 GLU H H 40 8.179 8.179 8.500 -0.321 25817 4439 1 18 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.195 0.200 25817 4440 1 18 . 1 1 41 41 PRO C C 41 177.650 177.650 178.356 -0.706 25817 4441 1 18 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.548 0.173 25817 4442 1 18 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.233 -0.439 25817 4443 1 18 . 1 1 42 42 GLY N N 42 108.968 108.968 106.290 2.678 25817 4444 1 18 . 1 1 42 42 GLY C C 42 173.943 173.943 174.146 -0.203 25817 4445 1 18 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.578 -0.271 25817 4446 1 18 . 1 1 42 42 GLY H H 42 8.387 8.387 8.661 -0.274 25817 4447 1 18 . 1 1 43 43 ALA N N 43 123.557 123.557 123.074 0.483 25817 4448 1 18 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.347 -0.027 25817 4449 1 18 . 1 1 43 43 ALA C C 43 177.613 177.613 176.812 0.801 25817 4450 1 18 . 1 1 43 43 ALA CA C 43 52.536 52.536 51.841 0.695 25817 4451 1 18 . 1 1 43 43 ALA CB C 43 19.258 19.258 20.199 -0.941 25817 4452 1 18 . 1 1 43 43 ALA H H 43 7.963 7.963 7.947 0.016 25817 4453 1 18 . 1 1 44 44 VAL N N 44 118.502 118.502 118.492 0.010 25817 4454 1 18 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.605 0.500 25817 4455 1 18 . 1 1 44 44 VAL C C 44 175.735 175.735 175.985 -0.250 25817 4456 1 18 . 1 1 44 44 VAL CA C 44 62.019 62.019 62.973 -0.954 25817 4457 1 18 . 1 1 44 44 VAL CB C 44 32.901 32.901 30.518 2.383 25817 4458 1 18 . 1 1 44 44 VAL H H 44 7.940 7.940 8.049 -0.109 25817 4459 1 18 . 1 1 45 45 SER N N 45 119.252 119.252 116.980 2.272 25817 4460 1 18 . 1 1 45 45 SER HA H 45 4.438 4.438 3.824 0.614 25817 4461 1 18 . 1 1 45 45 SER C C 45 172.924 172.924 173.902 -0.978 25817 4462 1 18 . 1 1 45 45 SER CA C 45 57.844 57.844 59.346 -1.502 25817 4463 1 18 . 1 1 45 45 SER CB C 45 64.261 64.261 63.023 1.238 25817 4464 1 18 . 1 1 45 45 SER H H 45 8.082 8.082 8.432 -0.350 25817 4465 1 19 . 1 1 2 2 SER N N 2 114.638 114.638 116.211 -1.573 25817 4466 1 19 . 1 1 2 2 SER HA H 2 4.435 4.435 4.133 0.302 25817 4467 1 19 . 1 1 2 2 SER C C 2 174.655 174.655 176.097 -1.442 25817 4468 1 19 . 1 1 2 2 SER CA C 2 58.287 58.287 61.167 -2.880 25817 4469 1 19 . 1 1 2 2 SER CB C 2 64.193 64.193 62.509 1.684 25817 4470 1 19 . 1 1 2 2 SER H H 2 8.068 8.068 8.733 -0.665 25817 4471 1 19 . 1 1 3 3 LYS N N 3 122.754 122.754 119.975 2.779 25817 4472 1 19 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.078 0.128 25817 4473 1 19 . 1 1 3 3 LYS C C 3 177.164 177.164 178.916 -1.752 25817 4474 1 19 . 1 1 3 3 LYS CA C 3 58.053 58.053 58.937 -0.884 25817 4475 1 19 . 1 1 3 3 LYS CB C 3 32.028 32.028 31.821 0.207 25817 4476 1 19 . 1 1 3 3 LYS H H 3 8.368 8.368 8.417 -0.049 25817 4477 1 19 . 1 1 4 4 GLU N N 4 118.462 118.462 120.362 -1.900 25817 4478 1 19 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.096 -0.058 25817 4479 1 19 . 1 1 4 4 GLU C C 4 177.164 177.164 179.019 -1.855 25817 4480 1 19 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.019 0.266 25817 4481 1 19 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.662 -0.897 25817 4482 1 19 . 1 1 4 4 GLU H H 4 8.411 8.411 8.011 0.400 25817 4483 1 19 . 1 1 5 5 LEU N N 5 119.346 119.346 119.534 -0.188 25817 4484 1 19 . 1 1 5 5 LEU HA H 5 4.176 4.176 4.072 0.104 25817 4485 1 19 . 1 1 5 5 LEU C C 5 179.105 179.105 179.433 -0.328 25817 4486 1 19 . 1 1 5 5 LEU CA C 5 57.075 57.075 57.766 -0.691 25817 4487 1 19 . 1 1 5 5 LEU CB C 5 41.846 41.846 40.907 0.939 25817 4488 1 19 . 1 1 5 5 LEU H H 5 7.879 7.879 7.735 0.144 25817 4489 1 19 . 1 1 6 6 GLU N N 6 120.818 120.818 119.688 1.130 25817 4490 1 19 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.093 -0.117 25817 4491 1 19 . 1 1 6 6 GLU C C 6 177.071 177.071 179.475 -2.404 25817 4492 1 19 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.608 -0.356 25817 4493 1 19 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.463 -1.035 25817 4494 1 19 . 1 1 6 6 GLU H H 6 8.349 8.349 8.127 0.222 25817 4495 1 19 . 1 1 7 7 LEU N N 7 118.820 118.820 120.893 -2.073 25817 4496 1 19 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.998 0.096 25817 4497 1 19 . 1 1 7 7 LEU C C 7 179.724 179.724 179.292 0.432 25817 4498 1 19 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.054 -0.026 25817 4499 1 19 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.887 0.019 25817 4500 1 19 . 1 1 7 7 LEU H H 7 8.219 8.219 7.639 0.580 25817 4501 1 19 . 1 1 8 8 ILE N N 8 120.124 120.124 118.641 1.483 25817 4502 1 19 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.736 -0.015 25817 4503 1 19 . 1 1 8 8 ILE C C 8 176.524 176.524 178.406 -1.882 25817 4504 1 19 . 1 1 8 8 ILE CA C 8 65.101 65.101 64.079 1.022 25817 4505 1 19 . 1 1 8 8 ILE CB C 8 38.054 38.054 36.373 1.681 25817 4506 1 19 . 1 1 8 8 ILE H H 8 8.336 8.336 7.773 0.563 25817 4507 1 19 . 1 1 9 9 THR N N 9 116.052 116.052 117.358 -1.306 25817 4508 1 19 . 1 1 9 9 THR HA H 9 4.204 4.204 4.009 0.195 25817 4509 1 19 . 1 1 9 9 THR C C 9 176.094 176.094 177.005 -0.911 25817 4510 1 19 . 1 1 9 9 THR CA C 9 67.399 67.399 66.933 0.466 25817 4511 1 19 . 1 1 9 9 THR H H 9 7.900 7.900 7.697 0.203 25817 4512 1 19 . 1 1 10 10 LEU N N 10 119.799 119.799 122.040 -2.241 25817 4513 1 19 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.969 0.006 25817 4514 1 19 . 1 1 10 10 LEU C C 10 177.752 177.752 178.947 -1.195 25817 4515 1 19 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.340 -0.063 25817 4516 1 19 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.857 0.523 25817 4517 1 19 . 1 1 10 10 LEU H H 10 8.045 8.045 8.543 -0.498 25817 4518 1 19 . 1 1 11 11 THR N N 11 114.472 114.472 115.785 -1.313 25817 4519 1 19 . 1 1 11 11 THR HA H 11 4.200 4.200 4.071 0.129 25817 4520 1 19 . 1 1 11 11 THR C C 11 176.296 176.296 176.884 -0.588 25817 4521 1 19 . 1 1 11 11 THR CA C 11 68.061 68.061 67.279 0.782 25817 4522 1 19 . 1 1 11 11 THR H H 11 7.904 7.904 7.696 0.208 25817 4523 1 19 . 1 1 12 12 VAL N N 12 120.338 120.338 121.283 -0.945 25817 4524 1 19 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.646 -0.084 25817 4525 1 19 . 1 1 12 12 VAL C C 12 177.759 177.759 178.167 -0.408 25817 4526 1 19 . 1 1 12 12 VAL CA C 12 66.924 66.924 67.298 -0.374 25817 4527 1 19 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.219 0.347 25817 4528 1 19 . 1 1 12 12 VAL H H 12 8.297 8.297 8.161 0.136 25817 4529 1 19 . 1 1 13 13 GLY N N 13 106.329 106.329 107.924 -1.595 25817 4530 1 19 . 1 1 13 13 GLY C C 13 174.383 174.383 175.766 -1.383 25817 4531 1 19 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.160 0.593 25817 4532 1 19 . 1 1 13 13 GLY H H 13 8.519 8.519 8.339 0.180 25817 4533 1 19 . 1 1 14 14 PHE N N 14 120.488 120.488 123.450 -2.962 25817 4534 1 19 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.164 0.036 25817 4535 1 19 . 1 1 14 14 PHE C C 14 177.591 177.591 177.413 0.178 25817 4536 1 19 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.514 1.108 25817 4537 1 19 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.054 -0.138 25817 4538 1 19 . 1 1 14 14 PHE H H 14 8.641 8.641 8.131 0.510 25817 4539 1 19 . 1 1 15 15 GLY N N 15 106.569 106.569 107.634 -1.065 25817 4540 1 19 . 1 1 15 15 GLY C C 15 174.533 174.533 175.912 -1.379 25817 4541 1 19 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.348 0.284 25817 4542 1 19 . 1 1 15 15 GLY H H 15 8.573 8.573 8.653 -0.080 25817 4543 1 19 . 1 1 16 16 ILE N N 16 120.720 120.720 122.803 -2.083 25817 4544 1 19 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.799 -0.174 25817 4545 1 19 . 1 1 16 16 ILE C C 16 178.658 178.658 177.691 0.967 25817 4546 1 19 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.885 0.545 25817 4547 1 19 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.913 -0.725 25817 4548 1 19 . 1 1 16 16 ILE H H 16 8.573 8.573 7.643 0.930 25817 4549 1 19 . 1 1 17 17 LEU N N 17 123.135 123.135 120.836 2.299 25817 4550 1 19 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.931 0.022 25817 4551 1 19 . 1 1 17 17 LEU C C 17 178.226 178.226 179.153 -0.927 25817 4552 1 19 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.102 0.815 25817 4553 1 19 . 1 1 17 17 LEU CB C 17 41.546 41.546 40.728 0.818 25817 4554 1 19 . 1 1 17 17 LEU H H 17 8.191 8.191 7.926 0.265 25817 4555 1 19 . 1 1 18 18 ILE N N 18 117.937 117.937 119.526 -1.589 25817 4556 1 19 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.413 0.150 25817 4557 1 19 . 1 1 18 18 ILE C C 18 177.812 177.812 177.734 0.078 25817 4558 1 19 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.444 -0.774 25817 4559 1 19 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.546 -1.034 25817 4560 1 19 . 1 1 18 18 ILE H H 18 8.455 8.455 7.495 0.960 25817 4561 1 19 . 1 1 19 19 PHE N N 19 119.250 119.250 119.905 -0.655 25817 4562 1 19 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.956 0.141 25817 4563 1 19 . 1 1 19 19 PHE C C 19 177.133 177.133 177.523 -0.390 25817 4564 1 19 . 1 1 19 19 PHE CA C 19 61.902 61.902 61.136 0.766 25817 4565 1 19 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.903 0.377 25817 4566 1 19 . 1 1 19 19 PHE H H 19 8.629 8.629 7.857 0.772 25817 4567 1 19 . 1 1 20 20 SER N N 20 114.851 114.851 115.425 -0.574 25817 4568 1 19 . 1 1 20 20 SER HA H 20 4.049 4.049 3.790 0.259 25817 4569 1 19 . 1 1 20 20 SER C C 20 177.062 177.062 176.619 0.443 25817 4570 1 19 . 1 1 20 20 SER CA C 20 63.443 63.443 61.856 1.587 25817 4571 1 19 . 1 1 20 20 SER H H 20 8.588 8.588 8.287 0.301 25817 4572 1 19 . 1 1 21 21 LEU N N 21 124.926 124.926 123.590 1.336 25817 4573 1 19 . 1 1 21 21 LEU HA H 21 4.022 4.022 3.960 0.062 25817 4574 1 19 . 1 1 21 21 LEU C C 21 178.183 178.183 178.535 -0.352 25817 4575 1 19 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.042 0.289 25817 4576 1 19 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.870 -0.098 25817 4577 1 19 . 1 1 21 21 LEU H H 21 8.194 8.194 8.014 0.180 25817 4578 1 19 . 1 1 22 22 ILE N N 22 119.416 119.416 118.574 0.842 25817 4579 1 19 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.570 0.042 25817 4580 1 19 . 1 1 22 22 ILE C C 22 178.539 178.539 178.103 0.436 25817 4581 1 19 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.405 0.556 25817 4582 1 19 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.435 0.429 25817 4583 1 19 . 1 1 22 22 ILE H H 22 8.173 8.173 7.901 0.272 25817 4584 1 19 . 1 1 23 23 VAL N N 23 119.631 119.631 120.219 -0.588 25817 4585 1 19 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.512 -0.161 25817 4586 1 19 . 1 1 23 23 VAL C C 23 177.480 177.480 178.156 -0.676 25817 4587 1 19 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.389 1.415 25817 4588 1 19 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.676 0.695 25817 4589 1 19 . 1 1 23 23 VAL H H 23 8.517 8.517 7.457 1.060 25817 4590 1 19 . 1 1 24 24 THR N N 24 115.196 115.196 116.726 -1.530 25817 4591 1 19 . 1 1 24 24 THR HA H 24 4.212 4.212 3.966 0.246 25817 4592 1 19 . 1 1 24 24 THR C C 24 176.559 176.559 176.402 0.157 25817 4593 1 19 . 1 1 24 24 THR CA C 24 68.061 68.061 66.881 1.180 25817 4594 1 19 . 1 1 24 24 THR H H 24 8.009 8.009 8.193 -0.184 25817 4595 1 19 . 1 1 25 25 TYR N N 25 121.989 121.989 123.483 -1.494 25817 4596 1 19 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.094 -0.059 25817 4597 1 19 . 1 1 25 25 TYR C C 25 177.742 177.742 177.508 0.234 25817 4598 1 19 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.438 0.049 25817 4599 1 19 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.234 0.532 25817 4600 1 19 . 1 1 25 25 TYR H H 25 8.447 8.447 8.424 0.023 25817 4601 1 19 . 1 1 26 26 CYS N N 26 117.031 117.031 118.409 -1.378 25817 4602 1 19 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.981 -0.052 25817 4603 1 19 . 1 1 26 26 CYS C C 26 176.855 176.855 176.743 0.112 25817 4604 1 19 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.545 0.832 25817 4605 1 19 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.044 0.247 25817 4606 1 19 . 1 1 26 26 CYS H H 26 8.456 8.456 7.849 0.607 25817 4607 1 19 . 1 1 27 27 ILE N N 27 118.019 118.019 121.035 -3.016 25817 4608 1 19 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.406 0.319 25817 4609 1 19 . 1 1 27 27 ILE C C 27 177.543 177.543 177.743 -0.200 25817 4610 1 19 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.845 -1.190 25817 4611 1 19 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.531 0.160 25817 4612 1 19 . 1 1 27 27 ILE H H 27 8.460 8.460 7.883 0.577 25817 4613 1 19 . 1 1 28 28 ASN N N 28 117.725 117.725 117.970 -0.245 25817 4614 1 19 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.281 0.185 25817 4615 1 19 . 1 1 28 28 ASN C C 28 176.330 176.330 177.028 -0.698 25817 4616 1 19 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.314 -0.260 25817 4617 1 19 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.591 1.978 25817 4618 1 19 . 1 1 28 28 ASN H H 28 7.933 7.933 7.792 0.141 25817 4619 1 19 . 1 1 29 29 ALA N N 29 120.930 120.930 122.627 -1.697 25817 4620 1 19 . 1 1 29 29 ALA HA H 29 4.125 4.125 4.110 0.015 25817 4621 1 19 . 1 1 29 29 ALA C C 29 178.485 178.485 178.755 -0.270 25817 4622 1 19 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.380 -0.734 25817 4623 1 19 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.375 0.428 25817 4624 1 19 . 1 1 29 29 ALA H H 29 8.116 8.116 7.280 0.836 25817 4625 1 19 . 1 1 30 30 LYS N N 30 116.477 116.477 117.346 -0.869 25817 4626 1 19 . 1 1 30 30 LYS HA H 30 4.293 4.293 4.134 0.159 25817 4627 1 19 . 1 1 30 30 LYS C C 30 176.352 176.352 179.081 -2.729 25817 4628 1 19 . 1 1 30 30 LYS CA C 30 55.901 55.901 58.587 -2.686 25817 4629 1 19 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.759 -0.613 25817 4630 1 19 . 1 1 30 30 LYS H H 30 7.710 7.710 8.000 -0.290 25817 4631 1 19 . 1 1 31 31 ALA N N 31 122.148 122.148 123.223 -1.075 25817 4632 1 19 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.090 0.143 25817 4633 1 19 . 1 1 31 31 ALA C C 31 177.308 177.308 179.867 -2.559 25817 4634 1 19 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.114 -1.772 25817 4635 1 19 . 1 1 31 31 ALA CB C 31 19.468 19.468 17.808 1.660 25817 4636 1 19 . 1 1 31 31 ALA H H 31 7.881 7.881 8.379 -0.498 25817 4637 1 19 . 1 1 32 32 ASP N N 32 117.233 117.233 117.978 -0.745 25817 4638 1 19 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.359 0.169 25817 4639 1 19 . 1 1 32 32 ASP C C 32 176.069 176.069 177.130 -1.061 25817 4640 1 19 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.027 -2.254 25817 4641 1 19 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.291 -0.071 25817 4642 1 19 . 1 1 32 32 ASP H H 32 8.251 8.251 7.887 0.364 25817 4643 1 19 . 1 1 33 33 VAL N N 33 116.751 116.751 116.034 0.717 25817 4644 1 19 . 1 1 33 33 VAL HA H 33 4.102 4.102 4.005 0.097 25817 4645 1 19 . 1 1 33 33 VAL C C 33 175.474 175.474 176.326 -0.852 25817 4646 1 19 . 1 1 33 33 VAL CA C 33 62.618 62.618 62.728 -0.110 25817 4647 1 19 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.696 1.111 25817 4648 1 19 . 1 1 33 33 VAL H H 33 7.647 7.647 8.151 -0.504 25817 4649 1 19 . 1 1 34 34 LEU N N 34 121.923 121.923 119.178 2.745 25817 4650 1 19 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.515 -0.251 25817 4651 1 19 . 1 1 34 34 LEU C C 34 176.502 176.502 177.283 -0.781 25817 4652 1 19 . 1 1 34 34 LEU CA C 34 55.303 55.303 55.202 0.101 25817 4653 1 19 . 1 1 34 34 LEU CB C 34 42.665 42.665 43.407 -0.743 25817 4654 1 19 . 1 1 34 34 LEU H H 34 7.876 7.876 8.044 -0.168 25817 4655 1 19 . 1 1 35 35 PHE N N 35 118.600 118.600 120.943 -2.343 25817 4656 1 19 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.611 -0.016 25817 4657 1 19 . 1 1 35 35 PHE C C 35 175.009 175.009 175.123 -0.114 25817 4658 1 19 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.836 1.122 25817 4659 1 19 . 1 1 35 35 PHE CB C 35 39.289 39.289 37.609 1.680 25817 4660 1 19 . 1 1 35 35 PHE H H 35 7.788 7.788 7.892 -0.104 25817 4661 1 19 . 1 1 36 36 ILE N N 36 119.235 119.235 119.792 -0.557 25817 4662 1 19 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.641 0.465 25817 4663 1 19 . 1 1 36 36 ILE C C 36 174.800 174.800 175.344 -0.544 25817 4664 1 19 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.626 -0.810 25817 4665 1 19 . 1 1 36 36 ILE CB C 36 38.959 38.959 36.019 2.941 25817 4666 1 19 . 1 1 36 36 ILE H H 36 7.489 7.489 8.035 -0.546 25817 4667 1 19 . 1 1 37 37 ALA N N 37 126.894 126.894 122.077 4.817 25817 4668 1 19 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.178 0.345 25817 4669 1 19 . 1 1 37 37 ALA CA C 37 50.662 50.662 52.181 -1.519 25817 4670 1 19 . 1 1 37 37 ALA CB C 37 18.385 18.385 19.007 -0.622 25817 4671 1 19 . 1 1 37 37 ALA H H 37 7.923 7.923 7.996 -0.073 25817 4672 1 19 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.410 -0.004 25817 4673 1 19 . 1 1 38 38 PRO C C 38 176.806 176.806 176.627 0.179 25817 4674 1 19 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.953 -0.971 25817 4675 1 19 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.416 -0.567 25817 4676 1 19 . 1 1 39 39 ARG N N 39 119.994 119.994 119.406 0.588 25817 4677 1 19 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.526 -0.226 25817 4678 1 19 . 1 1 39 39 ARG C C 39 175.960 175.960 175.256 0.704 25817 4679 1 19 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.975 0.833 25817 4680 1 19 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.601 -0.593 25817 4681 1 19 . 1 1 39 39 ARG H H 39 8.088 8.088 7.912 0.176 25817 4682 1 19 . 1 1 40 40 GLU N N 40 122.023 122.023 121.643 0.380 25817 4683 1 19 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.290 0.302 25817 4684 1 19 . 1 1 40 40 GLU CA C 40 54.111 54.111 56.014 -1.903 25817 4685 1 19 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.741 -0.072 25817 4686 1 19 . 1 1 40 40 GLU H H 40 8.179 8.179 8.500 -0.321 25817 4687 1 19 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.337 0.058 25817 4688 1 19 . 1 1 41 41 PRO C C 41 177.650 177.650 176.455 1.195 25817 4689 1 19 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.040 0.681 25817 4690 1 19 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.663 1.131 25817 4691 1 19 . 1 1 42 42 GLY N N 42 108.968 108.968 107.355 1.613 25817 4692 1 19 . 1 1 42 42 GLY C C 42 173.943 173.943 173.855 0.088 25817 4693 1 19 . 1 1 42 42 GLY CA C 42 45.307 45.307 44.585 0.722 25817 4694 1 19 . 1 1 42 42 GLY H H 42 8.387 8.387 7.878 0.509 25817 4695 1 19 . 1 1 43 43 ALA N N 43 123.557 123.557 123.065 0.492 25817 4696 1 19 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.712 -0.392 25817 4697 1 19 . 1 1 43 43 ALA C C 43 177.613 177.613 177.113 0.500 25817 4698 1 19 . 1 1 43 43 ALA CA C 43 52.536 52.536 51.468 1.068 25817 4699 1 19 . 1 1 43 43 ALA CB C 43 19.258 19.258 20.359 -1.101 25817 4700 1 19 . 1 1 43 43 ALA H H 43 7.963 7.963 7.818 0.145 25817 4701 1 19 . 1 1 44 44 VAL N N 44 118.502 118.502 123.184 -4.682 25817 4702 1 19 . 1 1 44 44 VAL HA H 44 4.105 4.105 4.308 -0.203 25817 4703 1 19 . 1 1 44 44 VAL C C 44 175.735 175.735 176.326 -0.591 25817 4704 1 19 . 1 1 44 44 VAL CA C 44 62.019 62.019 62.054 -0.035 25817 4705 1 19 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.434 0.467 25817 4706 1 19 . 1 1 44 44 VAL H H 44 7.940 7.940 8.444 -0.504 25817 4707 1 19 . 1 1 45 45 SER N N 45 119.252 119.252 124.963 -5.711 25817 4708 1 19 . 1 1 45 45 SER HA H 45 4.438 4.438 4.694 -0.256 25817 4709 1 19 . 1 1 45 45 SER C C 45 172.924 172.924 173.663 -0.739 25817 4710 1 19 . 1 1 45 45 SER CA C 45 57.844 57.844 57.768 0.076 25817 4711 1 19 . 1 1 45 45 SER CB C 45 64.261 64.261 61.745 2.516 25817 4712 1 19 . 1 1 45 45 SER H H 45 8.082 8.082 8.902 -0.820 25817 4713 1 20 . 1 1 2 2 SER N N 2 114.638 114.638 118.492 -3.854 25817 4714 1 20 . 1 1 2 2 SER HA H 2 4.435 4.435 4.120 0.315 25817 4715 1 20 . 1 1 2 2 SER C C 2 174.655 174.655 176.148 -1.493 25817 4716 1 20 . 1 1 2 2 SER CA C 2 58.287 58.287 59.316 -1.029 25817 4717 1 20 . 1 1 2 2 SER CB C 2 64.193 64.193 63.234 0.959 25817 4718 1 20 . 1 1 2 2 SER H H 2 8.068 8.068 8.818 -0.750 25817 4719 1 20 . 1 1 3 3 LYS N N 3 122.754 122.754 121.500 1.254 25817 4720 1 20 . 1 1 3 3 LYS HA H 3 4.206 4.206 3.976 0.230 25817 4721 1 20 . 1 1 3 3 LYS C C 3 177.164 177.164 178.355 -1.191 25817 4722 1 20 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.541 -1.488 25817 4723 1 20 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.322 -0.294 25817 4724 1 20 . 1 1 3 3 LYS H H 3 8.368 8.368 8.322 0.046 25817 4725 1 20 . 1 1 4 4 GLU N N 4 118.462 118.462 119.308 -0.846 25817 4726 1 20 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.040 -0.002 25817 4727 1 20 . 1 1 4 4 GLU C C 4 177.164 177.164 178.815 -1.651 25817 4728 1 20 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.433 -0.148 25817 4729 1 20 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.484 -0.719 25817 4730 1 20 . 1 1 4 4 GLU H H 4 8.411 8.411 7.740 0.671 25817 4731 1 20 . 1 1 5 5 LEU N N 5 119.346 119.346 119.686 -0.340 25817 4732 1 20 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.947 0.229 25817 4733 1 20 . 1 1 5 5 LEU C C 5 179.105 179.105 178.887 0.218 25817 4734 1 20 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.132 -1.057 25817 4735 1 20 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.544 0.302 25817 4736 1 20 . 1 1 5 5 LEU H H 5 7.879 7.879 8.113 -0.234 25817 4737 1 20 . 1 1 6 6 GLU N N 6 120.818 120.818 120.099 0.719 25817 4738 1 20 . 1 1 6 6 GLU HA H 6 3.976 3.976 3.916 0.060 25817 4739 1 20 . 1 1 6 6 GLU C C 6 177.071 177.071 179.023 -1.952 25817 4740 1 20 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.887 -0.636 25817 4741 1 20 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.789 -1.361 25817 4742 1 20 . 1 1 6 6 GLU H H 6 8.349 8.349 7.901 0.448 25817 4743 1 20 . 1 1 7 7 LEU N N 7 118.820 118.820 120.042 -1.222 25817 4744 1 20 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.987 0.107 25817 4745 1 20 . 1 1 7 7 LEU C C 7 179.724 179.724 179.302 0.422 25817 4746 1 20 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.054 -0.026 25817 4747 1 20 . 1 1 7 7 LEU CB C 7 41.906 41.906 42.023 -0.117 25817 4748 1 20 . 1 1 7 7 LEU H H 7 8.219 8.219 7.688 0.531 25817 4749 1 20 . 1 1 8 8 ILE N N 8 120.124 120.124 119.976 0.148 25817 4750 1 20 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.543 0.178 25817 4751 1 20 . 1 1 8 8 ILE C C 8 176.524 176.524 178.032 -1.508 25817 4752 1 20 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.868 -0.767 25817 4753 1 20 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.609 0.445 25817 4754 1 20 . 1 1 8 8 ILE H H 8 8.336 8.336 8.340 -0.004 25817 4755 1 20 . 1 1 9 9 THR N N 9 116.052 116.052 116.614 -0.562 25817 4756 1 20 . 1 1 9 9 THR HA H 9 4.204 4.204 3.952 0.252 25817 4757 1 20 . 1 1 9 9 THR C C 9 176.094 176.094 176.780 -0.686 25817 4758 1 20 . 1 1 9 9 THR CA C 9 67.399 67.399 67.171 0.228 25817 4759 1 20 . 1 1 9 9 THR H H 9 7.900 7.900 8.143 -0.243 25817 4760 1 20 . 1 1 10 10 LEU N N 10 119.799 119.799 122.225 -2.426 25817 4761 1 20 . 1 1 10 10 LEU HA H 10 3.975 3.975 3.941 0.034 25817 4762 1 20 . 1 1 10 10 LEU C C 10 177.752 177.752 178.492 -0.740 25817 4763 1 20 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.471 -0.194 25817 4764 1 20 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.935 0.445 25817 4765 1 20 . 1 1 10 10 LEU H H 10 8.045 8.045 8.306 -0.261 25817 4766 1 20 . 1 1 11 11 THR N N 11 114.472 114.472 116.387 -1.915 25817 4767 1 20 . 1 1 11 11 THR HA H 11 4.200 4.200 3.990 0.210 25817 4768 1 20 . 1 1 11 11 THR C C 11 176.296 176.296 176.701 -0.405 25817 4769 1 20 . 1 1 11 11 THR CA C 11 68.061 68.061 67.632 0.429 25817 4770 1 20 . 1 1 11 11 THR H H 11 7.904 7.904 7.897 0.007 25817 4771 1 20 . 1 1 12 12 VAL N N 12 120.338 120.338 121.429 -1.091 25817 4772 1 20 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.619 -0.057 25817 4773 1 20 . 1 1 12 12 VAL C C 12 177.759 177.759 178.228 -0.469 25817 4774 1 20 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.829 0.095 25817 4775 1 20 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.128 0.438 25817 4776 1 20 . 1 1 12 12 VAL H H 12 8.297 8.297 7.837 0.460 25817 4777 1 20 . 1 1 13 13 GLY N N 13 106.329 106.329 107.640 -1.311 25817 4778 1 20 . 1 1 13 13 GLY C C 13 174.383 174.383 175.785 -1.402 25817 4779 1 20 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.234 0.519 25817 4780 1 20 . 1 1 13 13 GLY H H 13 8.519 8.519 8.242 0.277 25817 4781 1 20 . 1 1 14 14 PHE N N 14 120.488 120.488 123.574 -3.086 25817 4782 1 20 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.171 0.029 25817 4783 1 20 . 1 1 14 14 PHE C C 14 177.591 177.591 177.527 0.064 25817 4784 1 20 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.449 1.173 25817 4785 1 20 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.027 -0.111 25817 4786 1 20 . 1 1 14 14 PHE H H 14 8.641 8.641 8.834 -0.193 25817 4787 1 20 . 1 1 15 15 GLY N N 15 106.569 106.569 107.529 -0.960 25817 4788 1 20 . 1 1 15 15 GLY C C 15 174.533 174.533 175.948 -1.415 25817 4789 1 20 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.356 0.276 25817 4790 1 20 . 1 1 15 15 GLY H H 15 8.573 8.573 8.752 -0.179 25817 4791 1 20 . 1 1 16 16 ILE N N 16 120.720 120.720 122.935 -2.215 25817 4792 1 20 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.712 -0.087 25817 4793 1 20 . 1 1 16 16 ILE C C 16 178.658 178.658 177.689 0.969 25817 4794 1 20 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.846 0.584 25817 4795 1 20 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.040 -0.852 25817 4796 1 20 . 1 1 16 16 ILE H H 16 8.573 8.573 7.680 0.893 25817 4797 1 20 . 1 1 17 17 LEU N N 17 123.135 123.135 120.857 2.278 25817 4798 1 20 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.916 0.037 25817 4799 1 20 . 1 1 17 17 LEU C C 17 178.226 178.226 178.846 -0.620 25817 4800 1 20 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.739 0.178 25817 4801 1 20 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.440 0.106 25817 4802 1 20 . 1 1 17 17 LEU H H 17 8.191 8.191 8.171 0.020 25817 4803 1 20 . 1 1 18 18 ILE N N 18 117.937 117.937 119.431 -1.494 25817 4804 1 20 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.345 0.218 25817 4805 1 20 . 1 1 18 18 ILE C C 18 177.812 177.812 177.793 0.019 25817 4806 1 20 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.629 -0.959 25817 4807 1 20 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.576 -1.064 25817 4808 1 20 . 1 1 18 18 ILE H H 18 8.455 8.455 7.753 0.702 25817 4809 1 20 . 1 1 19 19 PHE N N 19 119.250 119.250 119.191 0.059 25817 4810 1 20 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.974 0.123 25817 4811 1 20 . 1 1 19 19 PHE C C 19 177.133 177.133 177.927 -0.794 25817 4812 1 20 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.176 -0.274 25817 4813 1 20 . 1 1 19 19 PHE CB C 19 39.280 39.280 39.021 0.259 25817 4814 1 20 . 1 1 19 19 PHE H H 19 8.629 8.629 7.819 0.810 25817 4815 1 20 . 1 1 20 20 SER N N 20 114.851 114.851 115.902 -1.051 25817 4816 1 20 . 1 1 20 20 SER HA H 20 4.049 4.049 4.211 -0.162 25817 4817 1 20 . 1 1 20 20 SER C C 20 177.062 177.062 176.657 0.405 25817 4818 1 20 . 1 1 20 20 SER CA C 20 63.443 63.443 62.067 1.376 25817 4819 1 20 . 1 1 20 20 SER H H 20 8.588 8.588 8.455 0.133 25817 4820 1 20 . 1 1 21 21 LEU N N 21 124.926 124.926 123.756 1.170 25817 4821 1 20 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.025 -0.003 25817 4822 1 20 . 1 1 21 21 LEU C C 21 178.183 178.183 178.419 -0.236 25817 4823 1 20 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.474 -0.143 25817 4824 1 20 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.078 -0.307 25817 4825 1 20 . 1 1 21 21 LEU H H 21 8.194 8.194 8.171 0.023 25817 4826 1 20 . 1 1 22 22 ILE N N 22 119.416 119.416 118.556 0.860 25817 4827 1 20 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.622 -0.010 25817 4828 1 20 . 1 1 22 22 ILE C C 22 178.539 178.539 178.124 0.415 25817 4829 1 20 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.429 0.532 25817 4830 1 20 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.449 0.415 25817 4831 1 20 . 1 1 22 22 ILE H H 22 8.173 8.173 7.667 0.506 25817 4832 1 20 . 1 1 23 23 VAL N N 23 119.631 119.631 121.033 -1.402 25817 4833 1 20 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.695 -0.344 25817 4834 1 20 . 1 1 23 23 VAL C C 23 177.480 177.480 178.279 -0.799 25817 4835 1 20 . 1 1 23 23 VAL CA C 23 67.804 67.804 67.136 0.668 25817 4836 1 20 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.163 0.208 25817 4837 1 20 . 1 1 23 23 VAL H H 23 8.517 8.517 7.633 0.884 25817 4838 1 20 . 1 1 24 24 THR N N 24 115.196 115.196 116.959 -1.763 25817 4839 1 20 . 1 1 24 24 THR HA H 24 4.212 4.212 4.030 0.182 25817 4840 1 20 . 1 1 24 24 THR C C 24 176.559 176.559 176.329 0.230 25817 4841 1 20 . 1 1 24 24 THR CA C 24 68.061 68.061 66.749 1.312 25817 4842 1 20 . 1 1 24 24 THR H H 24 8.009 8.009 8.452 -0.443 25817 4843 1 20 . 1 1 25 25 TYR N N 25 121.989 121.989 123.775 -1.786 25817 4844 1 20 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.157 -0.122 25817 4845 1 20 . 1 1 25 25 TYR C C 25 177.742 177.742 177.036 0.706 25817 4846 1 20 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.181 0.307 25817 4847 1 20 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.323 0.443 25817 4848 1 20 . 1 1 25 25 TYR H H 25 8.447 8.447 8.261 0.186 25817 4849 1 20 . 1 1 26 26 CYS N N 26 117.031 117.031 118.611 -1.580 25817 4850 1 20 . 1 1 26 26 CYS HA H 26 3.929 3.929 4.019 -0.090 25817 4851 1 20 . 1 1 26 26 CYS C C 26 176.855 176.855 177.080 -0.225 25817 4852 1 20 . 1 1 26 26 CYS CA C 26 64.377 64.377 63.671 0.706 25817 4853 1 20 . 1 1 26 26 CYS CB C 26 27.291 27.291 26.629 0.662 25817 4854 1 20 . 1 1 26 26 CYS H H 26 8.456 8.456 7.990 0.466 25817 4855 1 20 . 1 1 27 27 ILE N N 27 118.019 118.019 120.747 -2.728 25817 4856 1 20 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.481 0.244 25817 4857 1 20 . 1 1 27 27 ILE C C 27 177.543 177.543 177.776 -0.233 25817 4858 1 20 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.875 -1.220 25817 4859 1 20 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.689 0.002 25817 4860 1 20 . 1 1 27 27 ILE H H 27 8.460 8.460 7.839 0.621 25817 4861 1 20 . 1 1 28 28 ASN N N 28 117.725 117.725 118.236 -0.511 25817 4862 1 20 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.316 0.150 25817 4863 1 20 . 1 1 28 28 ASN C C 28 176.330 176.330 177.433 -1.103 25817 4864 1 20 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.309 -0.255 25817 4865 1 20 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.742 1.827 25817 4866 1 20 . 1 1 28 28 ASN H H 28 7.933 7.933 8.063 -0.130 25817 4867 1 20 . 1 1 29 29 ALA N N 29 120.930 120.930 123.803 -2.873 25817 4868 1 20 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.751 0.374 25817 4869 1 20 . 1 1 29 29 ALA C C 29 178.485 178.485 179.176 -0.691 25817 4870 1 20 . 1 1 29 29 ALA CA C 29 53.646 53.646 55.063 -1.417 25817 4871 1 20 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.244 0.559 25817 4872 1 20 . 1 1 29 29 ALA H H 29 8.116 8.116 8.049 0.067 25817 4873 1 20 . 1 1 30 30 LYS N N 30 116.477 116.477 118.971 -2.494 25817 4874 1 20 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.886 0.407 25817 4875 1 20 . 1 1 30 30 LYS C C 30 176.352 176.352 178.779 -2.427 25817 4876 1 20 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.468 -3.567 25817 4877 1 20 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.377 -0.231 25817 4878 1 20 . 1 1 30 30 LYS H H 30 7.710 7.710 7.777 -0.067 25817 4879 1 20 . 1 1 31 31 ALA N N 31 122.148 122.148 122.291 -0.143 25817 4880 1 20 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.080 0.153 25817 4881 1 20 . 1 1 31 31 ALA C C 31 177.308 177.308 179.674 -2.366 25817 4882 1 20 . 1 1 31 31 ALA CA C 31 53.342 53.342 55.337 -1.994 25817 4883 1 20 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.097 1.371 25817 4884 1 20 . 1 1 31 31 ALA H H 31 7.881 7.881 7.972 -0.091 25817 4885 1 20 . 1 1 32 32 ASP N N 32 117.233 117.233 119.425 -2.192 25817 4886 1 20 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.357 0.171 25817 4887 1 20 . 1 1 32 32 ASP C C 32 176.069 176.069 178.837 -2.768 25817 4888 1 20 . 1 1 32 32 ASP CA C 32 54.773 54.773 58.000 -3.227 25817 4889 1 20 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.315 -0.095 25817 4890 1 20 . 1 1 32 32 ASP H H 32 8.251 8.251 8.001 0.250 25817 4891 1 20 . 1 1 33 33 VAL N N 33 116.751 116.751 119.920 -3.169 25817 4892 1 20 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.623 0.479 25817 4893 1 20 . 1 1 33 33 VAL C C 33 175.474 175.474 177.921 -2.447 25817 4894 1 20 . 1 1 33 33 VAL CA C 33 62.618 62.618 66.183 -3.565 25817 4895 1 20 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.881 0.926 25817 4896 1 20 . 1 1 33 33 VAL H H 33 7.647 7.647 7.558 0.089 25817 4897 1 20 . 1 1 34 34 LEU N N 34 121.923 121.923 120.207 1.716 25817 4898 1 20 . 1 1 34 34 LEU HA H 34 4.264 4.264 3.785 0.479 25817 4899 1 20 . 1 1 34 34 LEU C C 34 176.502 176.502 177.270 -0.768 25817 4900 1 20 . 1 1 34 34 LEU CA C 34 55.303 55.303 57.728 -2.425 25817 4901 1 20 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.159 0.506 25817 4902 1 20 . 1 1 34 34 LEU H H 34 7.876 7.876 8.002 -0.126 25817 4903 1 20 . 1 1 35 35 PHE N N 35 118.600 118.600 116.171 2.429 25817 4904 1 20 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.625 -0.030 25817 4905 1 20 . 1 1 35 35 PHE C C 35 175.009 175.009 175.438 -0.429 25817 4906 1 20 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.735 1.223 25817 4907 1 20 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.451 -0.162 25817 4908 1 20 . 1 1 35 35 PHE H H 35 7.788 7.788 7.546 0.242 25817 4909 1 20 . 1 1 36 36 ILE N N 36 119.235 119.235 122.205 -2.970 25817 4910 1 20 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.797 0.309 25817 4911 1 20 . 1 1 36 36 ILE C C 36 174.800 174.800 175.620 -0.820 25817 4912 1 20 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.962 -1.147 25817 4913 1 20 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.165 3.794 25817 4914 1 20 . 1 1 36 36 ILE H H 36 7.489 7.489 8.035 -0.546 25817 4915 1 20 . 1 1 37 37 ALA N N 37 126.894 126.894 130.184 -3.290 25817 4916 1 20 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.881 -0.358 25817 4917 1 20 . 1 1 37 37 ALA CA C 37 50.662 50.662 49.965 0.697 25817 4918 1 20 . 1 1 37 37 ALA CB C 37 18.385 18.385 20.008 -1.623 25817 4919 1 20 . 1 1 37 37 ALA H H 37 7.923 7.923 8.500 -0.577 25817 4920 1 20 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.487 -0.081 25817 4921 1 20 . 1 1 38 38 PRO C C 38 176.806 176.806 175.683 1.123 25817 4922 1 20 . 1 1 38 38 PRO CA C 38 62.982 62.982 62.895 0.087 25817 4923 1 20 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.389 -0.540 25817 4924 1 20 . 1 1 39 39 ARG N N 39 119.994 119.994 116.065 3.929 25817 4925 1 20 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.897 -0.597 25817 4926 1 20 . 1 1 39 39 ARG C C 39 175.960 175.960 176.636 -0.676 25817 4927 1 20 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.267 1.541 25817 4928 1 20 . 1 1 39 39 ARG CB C 39 31.008 31.008 32.077 -1.069 25817 4929 1 20 . 1 1 39 39 ARG H H 39 8.088 8.088 7.876 0.212 25817 4930 1 20 . 1 1 40 40 GLU N N 40 122.023 122.023 121.127 0.896 25817 4931 1 20 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.272 0.320 25817 4932 1 20 . 1 1 40 40 GLU CA C 40 54.111 54.111 55.954 -1.843 25817 4933 1 20 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.747 -0.078 25817 4934 1 20 . 1 1 40 40 GLU H H 40 8.179 8.179 8.736 -0.557 25817 4935 1 20 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.264 0.131 25817 4936 1 20 . 1 1 41 41 PRO C C 41 177.650 177.650 176.776 0.874 25817 4937 1 20 . 1 1 41 41 PRO CA C 41 63.721 63.721 64.140 -0.419 25817 4938 1 20 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.039 0.755 25817 4939 1 20 . 1 1 42 42 GLY N N 42 108.968 108.968 112.113 -3.145 25817 4940 1 20 . 1 1 42 42 GLY C C 42 173.943 173.943 175.465 -1.522 25817 4941 1 20 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.545 -0.238 25817 4942 1 20 . 1 1 42 42 GLY H H 42 8.387 8.387 8.207 0.180 25817 4943 1 20 . 1 1 43 43 ALA N N 43 123.557 123.557 122.896 0.661 25817 4944 1 20 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.165 0.155 25817 4945 1 20 . 1 1 43 43 ALA C C 43 177.613 177.613 178.695 -1.082 25817 4946 1 20 . 1 1 43 43 ALA CA C 43 52.536 52.536 55.073 -2.537 25817 4947 1 20 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.935 0.323 25817 4948 1 20 . 1 1 43 43 ALA H H 43 7.963 7.963 7.843 0.120 25817 4949 1 20 . 1 1 44 44 VAL N N 44 118.502 118.502 117.966 0.536 25817 4950 1 20 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.818 0.287 25817 4951 1 20 . 1 1 44 44 VAL C C 44 175.735 175.735 177.623 -1.888 25817 4952 1 20 . 1 1 44 44 VAL CA C 44 62.019 62.019 64.922 -2.903 25817 4953 1 20 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.867 1.034 25817 4954 1 20 . 1 1 44 44 VAL H H 44 7.940 7.940 8.380 -0.440 25817 4955 1 20 . 1 1 45 45 SER N N 45 119.252 119.252 115.040 4.212 25817 4956 1 20 . 1 1 45 45 SER HA H 45 4.438 4.438 4.258 0.180 25817 4957 1 20 . 1 1 45 45 SER C C 45 172.924 172.924 175.095 -2.171 25817 4958 1 20 . 1 1 45 45 SER CA C 45 57.844 57.844 60.518 -2.674 25817 4959 1 20 . 1 1 45 45 SER CB C 45 64.261 64.261 63.317 0.944 25817 4960 1 20 . 1 1 45 45 SER H H 45 8.082 8.082 7.474 0.608 25817 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 42 2.130 0.971 1.919 25817 2 1 1 "Average Difference" HA 47 0.198 -0.067 0.188 25817 3 1 1 "Average Difference" C 42 1.157 0.652 0.967 25817 4 1 1 "Average Difference" CA 44 1.285 0.258 1.273 25817 5 1 1 "Average Difference" CB 37 0.996 -0.230 0.982 25817 6 1 1 "Average Difference" HN 42 0.405 -0.084 0.401 25817 7 1 2 "Average Difference" N 42 1.935 0.656 1.843 25817 8 1 2 "Average Difference" HA 47 0.185 -0.057 0.178 25817 9 1 2 "Average Difference" C 42 1.082 0.550 0.943 25817 10 1 2 "Average Difference" CA 44 0.970 0.210 0.957 25817 11 1 2 "Average Difference" CB 37 0.888 -0.279 0.855 25817 12 1 2 "Average Difference" HN 42 0.395 -0.089 0.390 25817 13 1 3 "Average Difference" N 42 1.916 0.771 1.775 25817 14 1 3 "Average Difference" HA 47 0.220 -0.060 0.213 25817 15 1 3 "Average Difference" C 42 1.165 0.514 1.058 25817 16 1 3 "Average Difference" CA 44 1.374 0.302 1.356 25817 17 1 3 "Average Difference" CB 37 1.036 -0.151 1.039 25817 18 1 3 "Average Difference" HN 42 0.417 -0.131 0.401 25817 19 1 4 "Average Difference" N 42 1.861 0.741 1.728 25817 20 1 4 "Average Difference" HA 47 0.179 -0.070 0.166 25817 21 1 4 "Average Difference" C 42 1.230 0.668 1.045 25817 22 1 4 "Average Difference" CA 44 1.168 0.362 1.123 25817 23 1 4 "Average Difference" CB 37 0.958 -0.281 0.928 25817 24 1 4 "Average Difference" HN 42 0.417 -0.118 0.405 25817 25 1 5 "Average Difference" N 42 2.136 0.247 2.148 25817 26 1 5 "Average Difference" HA 47 0.220 -0.067 0.211 25817 27 1 5 "Average Difference" C 42 1.079 0.561 0.932 25817 28 1 5 "Average Difference" CA 44 1.015 0.208 1.005 25817 29 1 5 "Average Difference" CB 37 0.864 -0.284 0.827 25817 30 1 5 "Average Difference" HN 42 0.398 -0.084 0.394 25817 31 1 6 "Average Difference" N 42 1.923 0.596 1.851 25817 32 1 6 "Average Difference" HA 47 0.204 -0.084 0.187 25817 33 1 6 "Average Difference" C 42 1.186 0.708 0.963 25817 34 1 6 "Average Difference" CA 44 1.310 0.380 1.269 25817 35 1 6 "Average Difference" CB 37 1.019 -0.343 0.972 25817 36 1 6 "Average Difference" HN 42 0.373 -0.053 0.373 25817 37 1 7 "Average Difference" N 42 1.931 0.425 1.906 25817 38 1 7 "Average Difference" HA 47 0.179 -0.069 0.167 25817 39 1 7 "Average Difference" C 42 1.039 0.529 0.905 25817 40 1 7 "Average Difference" CA 44 1.007 0.211 0.996 25817 41 1 7 "Average Difference" CB 37 0.744 -0.079 0.750 25817 42 1 7 "Average Difference" HN 42 0.432 -0.158 0.407 25817 43 1 8 "Average Difference" N 42 1.857 0.641 1.765 25817 44 1 8 "Average Difference" HA 47 0.189 -0.077 0.174 25817 45 1 8 "Average Difference" C 42 1.152 0.645 0.967 25817 46 1 8 "Average Difference" CA 44 1.088 0.224 1.077 25817 47 1 8 "Average Difference" CB 37 0.952 -0.276 0.923 25817 48 1 8 "Average Difference" HN 42 0.399 -0.096 0.392 25817 49 1 9 "Average Difference" N 42 2.491 0.555 2.457 25817 50 1 9 "Average Difference" HA 47 0.211 -0.079 0.198 25817 51 1 9 "Average Difference" C 42 1.170 0.616 1.007 25817 52 1 9 "Average Difference" CA 44 1.067 0.269 1.045 25817 53 1 9 "Average Difference" CB 37 1.198 -0.423 1.136 25817 54 1 9 "Average Difference" HN 42 0.399 -0.096 0.392 25817 55 1 10 "Average Difference" N 42 1.930 0.736 1.806 25817 56 1 10 "Average Difference" HA 47 0.219 -0.090 0.202 25817 57 1 10 "Average Difference" C 42 1.165 0.642 0.983 25817 58 1 10 "Average Difference" CA 44 1.300 0.339 1.270 25817 59 1 10 "Average Difference" CB 37 1.058 -0.450 0.971 25817 60 1 10 "Average Difference" HN 42 0.410 -0.109 0.400 25817 61 1 11 "Average Difference" N 42 1.808 0.905 1.585 25817 62 1 11 "Average Difference" HA 47 0.209 -0.072 0.198 25817 63 1 11 "Average Difference" C 42 1.153 0.498 1.052 25817 64 1 11 "Average Difference" CA 44 1.133 0.279 1.111 25817 65 1 11 "Average Difference" CB 37 0.857 -0.201 0.844 25817 66 1 11 "Average Difference" HN 42 0.415 -0.075 0.413 25817 67 1 12 "Average Difference" N 42 1.981 0.653 1.893 25817 68 1 12 "Average Difference" HA 47 0.215 -0.099 0.193 25817 69 1 12 "Average Difference" C 42 1.193 0.627 1.027 25817 70 1 12 "Average Difference" CA 44 1.283 0.413 1.229 25817 71 1 12 "Average Difference" CB 37 0.989 -0.345 0.939 25817 72 1 12 "Average Difference" HN 42 0.395 -0.089 0.390 25817 73 1 13 "Average Difference" N 42 1.760 0.652 1.655 25817 74 1 13 "Average Difference" HA 47 0.189 -0.085 0.171 25817 75 1 13 "Average Difference" C 42 1.276 0.771 1.028 25817 76 1 13 "Average Difference" CA 44 1.348 0.343 1.318 25817 77 1 13 "Average Difference" CB 37 1.008 -0.354 0.957 25817 78 1 13 "Average Difference" HN 42 0.316 -0.076 0.310 25817 79 1 14 "Average Difference" N 42 1.921 0.490 1.880 25817 80 1 14 "Average Difference" HA 47 0.197 -0.086 0.179 25817 81 1 14 "Average Difference" C 42 1.105 0.580 0.952 25817 82 1 14 "Average Difference" CA 44 1.133 0.292 1.108 25817 83 1 14 "Average Difference" CB 37 0.890 -0.321 0.841 25817 84 1 14 "Average Difference" HN 42 0.433 -0.146 0.413 25817 85 1 15 "Average Difference" N 42 1.851 0.844 1.667 25817 86 1 15 "Average Difference" HA 47 0.203 -0.083 0.187 25817 87 1 15 "Average Difference" C 42 1.157 0.607 0.997 25817 88 1 15 "Average Difference" CA 44 1.257 0.330 1.227 25817 89 1 15 "Average Difference" CB 37 1.082 -0.348 1.038 25817 90 1 15 "Average Difference" HN 42 0.381 -0.025 0.385 25817 91 1 16 "Average Difference" N 42 2.250 0.352 2.249 25817 92 1 16 "Average Difference" HA 47 0.158 -0.035 0.156 25817 93 1 16 "Average Difference" C 42 1.136 0.588 0.984 25817 94 1 16 "Average Difference" CA 44 1.062 0.066 1.072 25817 95 1 16 "Average Difference" CB 37 0.894 -0.280 0.861 25817 96 1 16 "Average Difference" HN 42 0.375 -0.102 0.365 25817 97 1 17 "Average Difference" N 42 2.212 0.833 2.074 25817 98 1 17 "Average Difference" HA 47 0.208 -0.091 0.189 25817 99 1 17 "Average Difference" C 42 1.154 0.680 0.944 25817 100 1 17 "Average Difference" CA 44 1.343 0.431 1.287 25817 101 1 17 "Average Difference" CB 37 1.031 -0.325 0.992 25817 102 1 17 "Average Difference" HN 42 0.425 -0.071 0.424 25817 103 1 18 "Average Difference" N 42 1.743 0.822 1.556 25817 104 1 18 "Average Difference" HA 47 0.222 -0.093 0.204 25817 105 1 18 "Average Difference" C 42 1.178 0.632 1.006 25817 106 1 18 "Average Difference" CA 44 1.243 0.338 1.210 25817 107 1 18 "Average Difference" CB 37 1.028 -0.272 1.005 25817 108 1 18 "Average Difference" HN 42 0.360 -0.061 0.359 25817 109 1 19 "Average Difference" N 42 2.042 0.637 1.963 25817 110 1 19 "Average Difference" HA 47 0.190 -0.053 0.184 25817 111 1 19 "Average Difference" C 42 1.072 0.555 0.929 25817 112 1 19 "Average Difference" CA 44 1.084 0.071 1.094 25817 113 1 19 "Average Difference" CB 37 1.077 -0.385 1.020 25817 114 1 19 "Average Difference" HN 42 0.478 -0.142 0.462 25817 115 1 20 "Average Difference" N 42 2.064 0.751 1.946 25817 116 1 20 "Average Difference" HA 47 0.233 -0.094 0.215 25817 117 1 20 "Average Difference" C 42 1.237 0.751 0.995 25817 118 1 20 "Average Difference" CA 44 1.464 0.550 1.372 25817 119 1 20 "Average Difference" CB 37 0.970 -0.219 0.958 25817 120 1 20 "Average Difference" HN 42 0.427 -0.110 0.417 25817 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 25817 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 114.638 114.638 116.018 -1.379 25817 2 1 . 1 1 2 2 SER HA H 2 4.435 4.435 4.211 0.224 25817 3 1 . 1 1 2 2 SER C C 2 174.655 174.655 175.932 -1.277 25817 4 1 . 1 1 2 2 SER CA C 2 58.287 58.287 59.848 -1.561 25817 5 1 . 1 1 2 2 SER CB C 2 64.193 64.193 63.076 1.117 25817 6 1 . 1 1 2 2 SER H H 2 8.068 8.068 8.520 -0.452 25817 7 1 . 1 1 3 3 LYS N N 3 122.754 122.754 121.150 1.604 25817 8 1 . 1 1 3 3 LYS HA H 3 4.206 4.206 4.038 0.168 25817 9 1 . 1 1 3 3 LYS C C 3 177.164 177.164 178.591 -1.427 25817 10 1 . 1 1 3 3 LYS CA C 3 58.053 58.053 59.416 -1.363 25817 11 1 . 1 1 3 3 LYS CB C 3 32.028 32.028 32.202 -0.173 25817 12 1 . 1 1 3 3 LYS H H 3 8.368 8.368 8.432 -0.064 25817 13 1 . 1 1 4 4 GLU N N 4 118.462 118.462 119.526 -1.064 25817 14 1 . 1 1 4 4 GLU HA H 4 4.038 4.038 4.082 -0.044 25817 15 1 . 1 1 4 4 GLU C C 4 177.164 177.164 178.908 -1.744 25817 16 1 . 1 1 4 4 GLU CA C 4 59.285 59.285 59.291 -0.006 25817 17 1 . 1 1 4 4 GLU CB C 4 28.765 28.765 29.220 -0.455 25817 18 1 . 1 1 4 4 GLU H H 4 8.411 8.411 8.203 0.208 25817 19 1 . 1 1 5 5 LEU N N 5 119.346 119.346 119.855 -0.509 25817 20 1 . 1 1 5 5 LEU HA H 5 4.176 4.176 3.991 0.185 25817 21 1 . 1 1 5 5 LEU C C 5 179.105 179.105 179.087 0.018 25817 22 1 . 1 1 5 5 LEU CA C 5 57.075 57.075 58.040 -0.965 25817 23 1 . 1 1 5 5 LEU CB C 5 41.846 41.846 41.585 0.261 25817 24 1 . 1 1 5 5 LEU H H 5 7.879 7.879 7.951 -0.071 25817 25 1 . 1 1 6 6 GLU N N 6 120.818 120.818 120.038 0.780 25817 26 1 . 1 1 6 6 GLU HA H 6 3.976 3.976 4.005 -0.029 25817 27 1 . 1 1 6 6 GLU C C 6 177.071 177.071 179.281 -2.210 25817 28 1 . 1 1 6 6 GLU CA C 6 59.251 59.251 59.673 -0.422 25817 29 1 . 1 1 6 6 GLU CB C 6 28.428 28.428 29.590 -1.161 25817 30 1 . 1 1 6 6 GLU H H 6 8.349 8.349 8.012 0.337 25817 31 1 . 1 1 7 7 LEU N N 7 118.820 118.820 120.462 -1.642 25817 32 1 . 1 1 7 7 LEU HA H 7 4.094 4.094 3.982 0.112 25817 33 1 . 1 1 7 7 LEU C C 7 179.724 179.724 179.179 0.545 25817 34 1 . 1 1 7 7 LEU CA C 7 58.028 58.028 58.186 -0.158 25817 35 1 . 1 1 7 7 LEU CB C 7 41.906 41.906 41.915 -0.009 25817 36 1 . 1 1 7 7 LEU H H 7 8.219 8.219 8.022 0.197 25817 37 1 . 1 1 8 8 ILE N N 8 120.124 120.124 119.500 0.624 25817 38 1 . 1 1 8 8 ILE HA H 8 3.721 3.721 3.640 0.081 25817 39 1 . 1 1 8 8 ILE C C 8 176.524 176.524 178.225 -1.701 25817 40 1 . 1 1 8 8 ILE CA C 8 65.101 65.101 65.209 -0.109 25817 41 1 . 1 1 8 8 ILE CB C 8 38.054 38.054 37.133 0.921 25817 42 1 . 1 1 8 8 ILE H H 8 8.336 8.336 8.016 0.320 25817 43 1 . 1 1 9 9 THR N N 9 116.052 116.052 116.934 -0.882 25817 44 1 . 1 1 9 9 THR HA H 9 4.204 4.204 3.976 0.228 25817 45 1 . 1 1 9 9 THR C C 9 176.094 176.094 176.809 -0.715 25817 46 1 . 1 1 9 9 THR CA C 9 67.399 67.399 67.065 0.334 25817 47 1 . 1 1 9 9 THR H H 9 7.900 7.900 8.018 -0.118 25817 48 1 . 1 1 10 10 LEU N N 10 119.799 119.799 122.012 -2.214 25817 49 1 . 1 1 10 10 LEU HA H 10 3.975 3.975 4.034 -0.060 25817 50 1 . 1 1 10 10 LEU C C 10 177.752 177.752 178.664 -0.912 25817 51 1 . 1 1 10 10 LEU CA C 10 58.277 58.277 58.431 -0.154 25817 52 1 . 1 1 10 10 LEU CB C 10 42.380 42.380 41.710 0.670 25817 53 1 . 1 1 10 10 LEU H H 10 8.045 8.045 8.186 -0.141 25817 54 1 . 1 1 11 11 THR N N 11 114.472 114.472 116.361 -1.889 25817 55 1 . 1 1 11 11 THR HA H 11 4.200 4.200 4.008 0.192 25817 56 1 . 1 1 11 11 THR C C 11 176.296 176.296 176.937 -0.641 25817 57 1 . 1 1 11 11 THR CA C 11 68.061 68.061 67.361 0.700 25817 58 1 . 1 1 11 11 THR H H 11 7.904 7.904 8.077 -0.173 25817 59 1 . 1 1 12 12 VAL N N 12 120.338 120.338 121.103 -0.765 25817 60 1 . 1 1 12 12 VAL HA H 12 3.562 3.562 3.673 -0.111 25817 61 1 . 1 1 12 12 VAL C C 12 177.759 177.759 178.054 -0.295 25817 62 1 . 1 1 12 12 VAL CA C 12 66.924 66.924 66.728 0.196 25817 63 1 . 1 1 12 12 VAL CB C 12 31.566 31.566 31.253 0.313 25817 64 1 . 1 1 12 12 VAL H H 12 8.297 8.297 8.047 0.250 25817 65 1 . 1 1 13 13 GLY N N 13 106.329 106.329 108.054 -1.725 25817 66 1 . 1 1 13 13 GLY C C 13 174.383 174.383 175.872 -1.489 25817 67 1 . 1 1 13 13 GLY CA C 13 47.753 47.753 47.337 0.416 25817 68 1 . 1 1 13 13 GLY H H 13 8.519 8.519 8.213 0.306 25817 69 1 . 1 1 14 14 PHE N N 14 120.488 120.488 123.243 -2.755 25817 70 1 . 1 1 14 14 PHE HA H 14 4.200 4.200 4.227 -0.027 25817 71 1 . 1 1 14 14 PHE C C 14 177.591 177.591 177.382 0.209 25817 72 1 . 1 1 14 14 PHE CA C 14 61.622 61.622 60.466 1.156 25817 73 1 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.053 -0.137 25817 74 1 . 1 1 14 14 PHE H H 14 8.641 8.641 8.504 0.137 25817 75 1 . 1 1 15 15 GLY N N 15 106.569 106.569 107.711 -1.142 25817 76 1 . 1 1 15 15 GLY C C 15 174.533 174.533 176.015 -1.482 25817 77 1 . 1 1 15 15 GLY CA C 15 47.632 47.632 47.280 0.352 25817 78 1 . 1 1 15 15 GLY H H 15 8.573 8.573 8.301 0.272 25817 79 1 . 1 1 16 16 ILE N N 16 120.720 120.720 122.901 -2.181 25817 80 1 . 1 1 16 16 ILE HA H 16 3.625 3.625 3.752 -0.127 25817 81 1 . 1 1 16 16 ILE C C 16 178.658 178.658 177.571 1.087 25817 82 1 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.712 0.718 25817 83 1 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.922 -0.734 25817 84 1 . 1 1 16 16 ILE H H 16 8.573 8.573 7.927 0.646 25817 85 1 . 1 1 17 17 LEU N N 17 123.135 123.135 121.074 2.061 25817 86 1 . 1 1 17 17 LEU HA H 17 3.953 3.953 3.922 0.031 25817 87 1 . 1 1 17 17 LEU C C 17 178.226 178.226 178.898 -0.672 25817 88 1 . 1 1 17 17 LEU CA C 17 58.917 58.917 58.510 0.407 25817 89 1 . 1 1 17 17 LEU CB C 17 41.546 41.546 41.685 -0.139 25817 90 1 . 1 1 17 17 LEU H H 17 8.191 8.191 7.946 0.245 25817 91 1 . 1 1 18 18 ILE N N 18 117.937 117.937 119.476 -1.539 25817 92 1 . 1 1 18 18 ILE HA H 18 3.563 3.563 3.416 0.147 25817 93 1 . 1 1 18 18 ILE C C 18 177.812 177.812 177.701 0.111 25817 94 1 . 1 1 18 18 ILE CA C 18 64.670 64.670 65.477 -0.807 25817 95 1 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.544 -1.032 25817 96 1 . 1 1 18 18 ILE H H 18 8.455 8.455 7.505 0.950 25817 97 1 . 1 1 19 19 PHE N N 19 119.250 119.250 119.582 -0.332 25817 98 1 . 1 1 19 19 PHE HA H 19 4.097 4.097 3.962 0.135 25817 99 1 . 1 1 19 19 PHE C C 19 177.133 177.133 177.807 -0.674 25817 100 1 . 1 1 19 19 PHE CA C 19 61.902 61.902 62.204 -0.302 25817 101 1 . 1 1 19 19 PHE CB C 19 39.280 39.280 38.905 0.375 25817 102 1 . 1 1 19 19 PHE H H 19 8.629 8.629 7.886 0.743 25817 103 1 . 1 1 20 20 SER N N 20 114.851 114.851 115.269 -0.418 25817 104 1 . 1 1 20 20 SER HA H 20 4.049 4.049 4.132 -0.083 25817 105 1 . 1 1 20 20 SER C C 20 177.062 177.062 176.599 0.463 25817 106 1 . 1 1 20 20 SER CA C 20 63.443 63.443 61.984 1.458 25817 107 1 . 1 1 20 20 SER H H 20 8.588 8.588 8.568 0.020 25817 108 1 . 1 1 21 21 LEU N N 21 124.926 124.926 123.469 1.457 25817 109 1 . 1 1 21 21 LEU HA H 21 4.022 4.022 4.057 -0.035 25817 110 1 . 1 1 21 21 LEU C C 21 178.183 178.183 178.351 -0.168 25817 111 1 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.101 0.230 25817 112 1 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.928 -0.157 25817 113 1 . 1 1 21 21 LEU H H 21 8.194 8.194 7.854 0.340 25817 114 1 . 1 1 22 22 ILE N N 22 119.416 119.416 118.753 0.663 25817 115 1 . 1 1 22 22 ILE HA H 22 3.612 3.612 3.586 0.026 25817 116 1 . 1 1 22 22 ILE C C 22 178.539 178.539 178.200 0.339 25817 117 1 . 1 1 22 22 ILE CA C 22 65.961 65.961 65.369 0.592 25817 118 1 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.240 0.624 25817 119 1 . 1 1 22 22 ILE H H 22 8.173 8.173 7.988 0.185 25817 120 1 . 1 1 23 23 VAL N N 23 119.631 119.631 120.623 -0.992 25817 121 1 . 1 1 23 23 VAL HA H 23 3.351 3.351 3.662 -0.311 25817 122 1 . 1 1 23 23 VAL C C 23 177.480 177.480 178.033 -0.553 25817 123 1 . 1 1 23 23 VAL CA C 23 67.804 67.804 66.897 0.907 25817 124 1 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.308 0.063 25817 125 1 . 1 1 23 23 VAL H H 23 8.517 8.517 7.840 0.677 25817 126 1 . 1 1 24 24 THR N N 24 115.196 115.196 117.202 -2.006 25817 127 1 . 1 1 24 24 THR HA H 24 4.212 4.212 3.966 0.246 25817 128 1 . 1 1 24 24 THR C C 24 176.559 176.559 176.442 0.117 25817 129 1 . 1 1 24 24 THR CA C 24 68.061 68.061 67.064 0.997 25817 130 1 . 1 1 24 24 THR H H 24 8.009 8.009 8.209 -0.200 25817 131 1 . 1 1 25 25 TYR N N 25 121.989 121.989 123.328 -1.339 25817 132 1 . 1 1 25 25 TYR HA H 25 4.035 4.035 4.167 -0.132 25817 133 1 . 1 1 25 25 TYR C C 25 177.742 177.742 177.126 0.616 25817 134 1 . 1 1 25 25 TYR CA C 25 62.488 62.488 62.055 0.432 25817 135 1 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.389 0.377 25817 136 1 . 1 1 25 25 TYR H H 25 8.447 8.447 8.475 -0.028 25817 137 1 . 1 1 26 26 CYS N N 26 117.031 117.031 118.278 -1.247 25817 138 1 . 1 1 26 26 CYS HA H 26 3.929 3.929 3.937 -0.008 25817 139 1 . 1 1 26 26 CYS C C 26 176.855 176.855 177.142 -0.287 25817 140 1 . 1 1 26 26 CYS CA C 26 64.377 64.377 64.172 0.204 25817 141 1 . 1 1 26 26 CYS CB C 26 27.291 27.291 27.011 0.280 25817 142 1 . 1 1 26 26 CYS H H 26 8.456 8.456 7.952 0.504 25817 143 1 . 1 1 27 27 ILE N N 27 118.019 118.019 120.710 -2.691 25817 144 1 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.515 0.210 25817 145 1 . 1 1 27 27 ILE C C 27 177.543 177.543 177.724 -0.181 25817 146 1 . 1 1 27 27 ILE CA C 27 64.655 64.655 65.531 -0.876 25817 147 1 . 1 1 27 27 ILE CB C 27 37.691 37.691 37.490 0.201 25817 148 1 . 1 1 27 27 ILE H H 27 8.460 8.460 7.898 0.562 25817 149 1 . 1 1 28 28 ASN N N 28 117.725 117.725 118.359 -0.634 25817 150 1 . 1 1 28 28 ASN HA H 28 4.466 4.466 4.312 0.154 25817 151 1 . 1 1 28 28 ASN C C 28 176.330 176.330 177.401 -1.071 25817 152 1 . 1 1 28 28 ASN CA C 28 56.054 56.054 56.412 -0.358 25817 153 1 . 1 1 28 28 ASN CB C 28 39.569 39.569 37.956 1.613 25817 154 1 . 1 1 28 28 ASN H H 28 7.933 7.933 8.007 -0.074 25817 155 1 . 1 1 29 29 ALA N N 29 120.930 120.930 123.179 -2.249 25817 156 1 . 1 1 29 29 ALA HA H 29 4.125 4.125 3.887 0.238 25817 157 1 . 1 1 29 29 ALA C C 29 178.485 178.485 179.222 -0.737 25817 158 1 . 1 1 29 29 ALA CA C 29 53.646 53.646 54.934 -1.288 25817 159 1 . 1 1 29 29 ALA CB C 29 18.803 18.803 18.219 0.584 25817 160 1 . 1 1 29 29 ALA H H 29 8.116 8.116 7.899 0.217 25817 161 1 . 1 1 30 30 LYS N N 30 116.477 116.477 118.395 -1.918 25817 162 1 . 1 1 30 30 LYS HA H 30 4.293 4.293 3.959 0.334 25817 163 1 . 1 1 30 30 LYS C C 30 176.352 176.352 178.672 -2.320 25817 164 1 . 1 1 30 30 LYS CA C 30 55.901 55.901 59.040 -3.139 25817 165 1 . 1 1 30 30 LYS CB C 30 32.146 32.146 32.342 -0.196 25817 166 1 . 1 1 30 30 LYS H H 30 7.710 7.710 7.829 -0.119 25817 167 1 . 1 1 31 31 ALA N N 31 122.148 122.148 122.191 -0.043 25817 168 1 . 1 1 31 31 ALA HA H 31 4.233 4.233 4.200 0.033 25817 169 1 . 1 1 31 31 ALA C C 31 177.308 177.308 179.725 -2.417 25817 170 1 . 1 1 31 31 ALA CA C 31 53.342 53.342 54.886 -1.544 25817 171 1 . 1 1 31 31 ALA CB C 31 19.468 19.468 18.547 0.921 25817 172 1 . 1 1 31 31 ALA H H 31 7.881 7.881 7.970 -0.089 25817 173 1 . 1 1 32 32 ASP N N 32 117.233 117.233 119.706 -2.472 25817 174 1 . 1 1 32 32 ASP HA H 32 4.528 4.528 4.435 0.093 25817 175 1 . 1 1 32 32 ASP C C 32 176.069 176.069 178.548 -2.479 25817 176 1 . 1 1 32 32 ASP CA C 32 54.773 54.773 57.501 -2.728 25817 177 1 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.304 -0.084 25817 178 1 . 1 1 32 32 ASP H H 32 8.251 8.251 8.232 0.019 25817 179 1 . 1 1 33 33 VAL N N 33 116.751 116.751 119.118 -2.367 25817 180 1 . 1 1 33 33 VAL HA H 33 4.102 4.102 3.803 0.299 25817 181 1 . 1 1 33 33 VAL C C 33 175.474 175.474 177.349 -1.875 25817 182 1 . 1 1 33 33 VAL CA C 33 62.618 62.618 65.125 -2.507 25817 183 1 . 1 1 33 33 VAL CB C 33 32.807 32.807 31.642 1.165 25817 184 1 . 1 1 33 33 VAL H H 33 7.647 7.647 7.737 -0.090 25817 185 1 . 1 1 34 34 LEU N N 34 121.923 121.923 119.650 2.273 25817 186 1 . 1 1 34 34 LEU HA H 34 4.264 4.264 4.024 0.240 25817 187 1 . 1 1 34 34 LEU C C 34 176.502 176.502 176.827 -0.325 25817 188 1 . 1 1 34 34 LEU CA C 34 55.303 55.303 56.611 -1.308 25817 189 1 . 1 1 34 34 LEU CB C 34 42.665 42.665 42.142 0.523 25817 190 1 . 1 1 34 34 LEU H H 34 7.876 7.876 7.877 -0.002 25817 191 1 . 1 1 35 35 PHE N N 35 118.600 118.600 117.850 0.750 25817 192 1 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.639 -0.044 25817 193 1 . 1 1 35 35 PHE C C 35 175.009 175.009 175.189 -0.180 25817 194 1 . 1 1 35 35 PHE CA C 35 57.958 57.958 56.808 1.150 25817 195 1 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.316 -0.027 25817 196 1 . 1 1 35 35 PHE H H 35 7.788 7.788 7.692 0.096 25817 197 1 . 1 1 36 36 ILE N N 36 119.235 119.235 120.865 -1.630 25817 198 1 . 1 1 36 36 ILE HA H 36 4.106 4.106 3.817 0.289 25817 199 1 . 1 1 36 36 ILE C C 36 174.800 174.800 175.667 -0.867 25817 200 1 . 1 1 36 36 ILE CA C 36 60.816 60.816 61.204 -0.388 25817 201 1 . 1 1 36 36 ILE CB C 36 38.959 38.959 35.380 3.579 25817 202 1 . 1 1 36 36 ILE H H 36 7.489 7.489 8.187 -0.698 25817 203 1 . 1 1 37 37 ALA N N 37 126.894 126.894 126.434 0.460 25817 204 1 . 1 1 37 37 ALA HA H 37 4.523 4.523 4.355 0.168 25817 205 1 . 1 1 37 37 ALA CA C 37 50.662 50.662 51.315 -0.653 25817 206 1 . 1 1 37 37 ALA CB C 37 18.385 18.385 18.888 -0.504 25817 207 1 . 1 1 37 37 ALA H H 37 7.923 7.923 8.202 -0.279 25817 208 1 . 1 1 38 38 PRO HA H 38 4.406 4.406 4.400 0.006 25817 209 1 . 1 1 38 38 PRO C C 38 176.806 176.806 176.024 0.782 25817 210 1 . 1 1 38 38 PRO CA C 38 62.982 62.982 63.088 -0.106 25817 211 1 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.263 -0.414 25817 212 1 . 1 1 39 39 ARG N N 39 119.994 119.994 120.608 -0.614 25817 213 1 . 1 1 39 39 ARG HA H 39 4.300 4.300 4.561 -0.261 25817 214 1 . 1 1 39 39 ARG C C 39 175.960 175.960 175.555 0.405 25817 215 1 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.440 0.368 25817 216 1 . 1 1 39 39 ARG CB C 39 31.008 31.008 31.468 -0.460 25817 217 1 . 1 1 39 39 ARG H H 39 8.088 8.088 8.270 -0.181 25817 218 1 . 1 1 40 40 GLU N N 40 122.023 122.023 122.443 -0.420 25817 219 1 . 1 1 40 40 GLU HA H 40 4.592 4.592 4.586 0.006 25817 220 1 . 1 1 40 40 GLU CA C 40 54.111 54.111 54.017 0.094 25817 221 1 . 1 1 40 40 GLU CB C 40 29.669 29.669 29.455 0.214 25817 222 1 . 1 1 40 40 GLU H H 40 8.179 8.179 8.531 -0.352 25817 223 1 . 1 1 41 41 PRO HA H 41 4.395 4.395 4.259 0.136 25817 224 1 . 1 1 41 41 PRO C C 41 177.650 177.650 177.243 0.407 25817 225 1 . 1 1 41 41 PRO CA C 41 63.721 63.721 63.681 0.040 25817 226 1 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.460 0.334 25817 227 1 . 1 1 42 42 GLY N N 42 108.968 108.968 109.686 -0.718 25817 228 1 . 1 1 42 42 GLY C C 42 173.943 173.943 174.569 -0.626 25817 229 1 . 1 1 42 42 GLY CA C 42 45.307 45.307 45.087 0.220 25817 230 1 . 1 1 42 42 GLY H H 42 8.387 8.387 8.293 0.094 25817 231 1 . 1 1 43 43 ALA N N 43 123.557 123.557 121.830 1.727 25817 232 1 . 1 1 43 43 ALA HA H 43 4.320 4.320 4.161 0.159 25817 233 1 . 1 1 43 43 ALA C C 43 177.613 177.613 177.543 0.070 25817 234 1 . 1 1 43 43 ALA CA C 43 52.536 52.536 53.058 -0.522 25817 235 1 . 1 1 43 43 ALA CB C 43 19.258 19.258 18.853 0.405 25817 236 1 . 1 1 43 43 ALA H H 43 7.963 7.963 7.793 0.170 25817 237 1 . 1 1 44 44 VAL N N 44 118.502 118.502 119.360 -0.858 25817 238 1 . 1 1 44 44 VAL HA H 44 4.105 4.105 3.873 0.232 25817 239 1 . 1 1 44 44 VAL C C 44 175.735 175.735 176.606 -0.871 25817 240 1 . 1 1 44 44 VAL CA C 44 62.019 62.019 63.731 -1.712 25817 241 1 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.677 1.224 25817 242 1 . 1 1 44 44 VAL H H 44 7.940 7.940 8.164 -0.224 25817 243 1 . 1 1 45 45 SER N N 45 119.252 119.252 116.898 2.354 25817 244 1 . 1 1 45 45 SER HA H 45 4.438 4.438 4.369 0.069 25817 245 1 . 1 1 45 45 SER C C 45 172.924 172.924 173.883 -0.959 25817 246 1 . 1 1 45 45 SER CA C 45 57.844 57.844 58.773 -0.929 25817 247 1 . 1 1 45 45 SER CB C 45 64.261 64.261 63.524 0.737 25817 248 1 . 1 1 45 45 SER H H 45 8.082 8.082 8.201 -0.119 25817 stop_ save_