data_19623 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19623 _Entry.PDB_ID 2MH8 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 19623 _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 GLY N N 2 113.169 113.169 107.990 5.179 19623 2 1 1 . 1 1 2 2 GLY C C 2 173.996 173.996 173.541 0.455 19623 3 1 1 . 1 1 2 2 GLY CA C 2 45.211 45.211 44.883 0.328 19623 4 1 1 . 1 1 2 2 GLY H H 2 8.533 8.533 8.388 0.145 19623 5 1 1 . 1 1 3 3 ASP N N 3 120.717 120.717 121.038 -0.321 19623 6 1 1 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.488 0.071 19623 7 1 1 . 1 1 3 3 ASP C C 3 176.675 176.675 176.858 -0.183 19623 8 1 1 . 1 1 3 3 ASP CA C 3 54.489 54.489 54.133 0.356 19623 9 1 1 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.153 0.044 19623 10 1 1 . 1 1 3 3 ASP H H 3 8.412 8.412 8.222 0.190 19623 11 1 1 . 1 1 4 4 LYS N N 4 121.955 121.955 125.806 -3.851 19623 12 1 1 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.204 0.042 19623 13 1 1 . 1 1 4 4 LYS C C 4 177.301 177.301 177.802 -0.501 19623 14 1 1 . 1 1 4 4 LYS CA C 4 56.606 56.606 57.578 -0.972 19623 15 1 1 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.595 -0.159 19623 16 1 1 . 1 1 4 4 LYS H H 4 8.490 8.490 8.422 0.068 19623 17 1 1 . 1 1 5 5 GLY N N 5 109.376 109.376 107.408 1.968 19623 18 1 1 . 1 1 5 5 GLY C C 5 174.045 174.045 175.093 -1.048 19623 19 1 1 . 1 1 5 5 GLY CA C 5 45.305 45.305 45.396 -0.091 19623 20 1 1 . 1 1 5 5 GLY H H 5 8.491 8.491 7.990 0.501 19623 21 1 1 . 1 1 6 6 TYR N N 6 120.416 120.416 119.483 0.933 19623 22 1 1 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.502 0.008 19623 23 1 1 . 1 1 6 6 TYR C C 6 175.952 175.952 176.226 -0.274 19623 24 1 1 . 1 1 6 6 TYR CA C 6 58.383 58.383 56.803 1.580 19623 25 1 1 . 1 1 6 6 TYR CB C 6 38.562 38.562 38.984 -0.422 19623 26 1 1 . 1 1 6 6 TYR H H 6 8.134 8.134 8.212 -0.078 19623 27 1 1 . 1 1 7 7 ASN N N 7 122.415 122.415 118.963 3.452 19623 28 1 1 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.825 -0.237 19623 29 1 1 . 1 1 7 7 ASN C C 7 175.521 175.521 176.668 -1.147 19623 30 1 1 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.658 -0.251 19623 31 1 1 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.777 0.003 19623 32 1 1 . 1 1 7 7 ASN H H 7 8.557 8.557 8.740 -0.183 19623 33 1 1 . 1 1 8 8 GLY N N 8 109.431 109.431 109.855 -0.424 19623 34 1 1 . 1 1 8 8 GLY C C 8 175.609 175.609 176.375 -0.766 19623 35 1 1 . 1 1 8 8 GLY CA C 8 45.990 45.990 47.153 -1.163 19623 36 1 1 . 1 1 8 8 GLY H H 8 8.285 8.285 8.649 -0.364 19623 37 1 1 . 1 1 9 9 LEU N N 9 123.596 123.596 122.344 1.252 19623 38 1 1 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.118 -0.185 19623 39 1 1 . 1 1 9 9 LEU C C 9 177.458 177.458 178.130 -0.672 19623 40 1 1 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.513 0.735 19623 41 1 1 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.594 0.096 19623 42 1 1 . 1 1 9 9 LEU H H 9 8.136 8.136 7.810 0.326 19623 43 1 1 . 1 1 10 10 ALA N N 10 121.310 121.310 120.547 0.763 19623 44 1 1 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.969 -0.036 19623 45 1 1 . 1 1 10 10 ALA C C 10 181.140 181.140 180.013 1.127 19623 46 1 1 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.159 0.346 19623 47 1 1 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.156 -0.365 19623 48 1 1 . 1 1 10 10 ALA H H 10 8.361 8.361 8.301 0.060 19623 49 1 1 . 1 1 11 11 GLU N N 11 118.893 118.893 119.392 -0.499 19623 50 1 1 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.095 -0.103 19623 51 1 1 . 1 1 11 11 GLU C C 11 178.797 178.797 179.043 -0.246 19623 52 1 1 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.072 0.820 19623 53 1 1 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.745 -0.754 19623 54 1 1 . 1 1 11 11 GLU H H 11 8.490 8.490 8.421 0.069 19623 55 1 1 . 1 1 12 12 ALA N N 12 122.362 122.362 122.873 -0.511 19623 56 1 1 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.073 0.007 19623 57 1 1 . 1 1 12 12 ALA C C 12 181.228 181.228 179.640 1.588 19623 58 1 1 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.263 -0.045 19623 59 1 1 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.330 0.132 19623 60 1 1 . 1 1 12 12 ALA H H 12 8.099 8.099 8.157 -0.058 19623 61 1 1 . 1 1 13 13 LYS N N 13 118.689 118.689 118.381 0.308 19623 62 1 1 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.990 -0.370 19623 63 1 1 . 1 1 13 13 LYS C C 13 177.203 177.203 178.609 -1.406 19623 64 1 1 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.811 0.579 19623 65 1 1 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.386 1.238 19623 66 1 1 . 1 1 13 13 LYS H H 13 8.382 8.382 8.209 0.173 19623 67 1 1 . 1 1 14 14 GLU N N 14 117.865 117.865 120.313 -2.448 19623 68 1 1 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.038 0.247 19623 69 1 1 . 1 1 14 14 GLU C C 14 179.404 179.404 178.941 0.463 19623 70 1 1 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.633 0.374 19623 71 1 1 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.573 -0.155 19623 72 1 1 . 1 1 14 14 GLU H H 14 7.952 7.952 8.145 -0.193 19623 73 1 1 . 1 1 15 15 LYS N N 15 119.020 119.020 118.523 0.497 19623 74 1 1 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.120 -0.187 19623 75 1 1 . 1 1 15 15 LYS C C 15 177.976 177.976 178.883 -0.907 19623 76 1 1 . 1 1 15 15 LYS CA C 15 59.591 59.591 58.979 0.612 19623 77 1 1 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.359 -0.084 19623 78 1 1 . 1 1 15 15 LYS H H 15 8.029 8.029 8.052 -0.023 19623 79 1 1 . 1 1 16 16 ALA N N 16 120.410 120.410 123.230 -2.820 19623 80 1 1 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.167 -0.205 19623 81 1 1 . 1 1 16 16 ALA C C 16 179.140 179.140 179.464 -0.324 19623 82 1 1 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.144 0.282 19623 83 1 1 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.660 -0.251 19623 84 1 1 . 1 1 16 16 ALA H H 16 7.904 7.904 7.857 0.047 19623 85 1 1 . 1 1 17 17 ILE N N 17 117.363 117.363 114.943 2.420 19623 86 1 1 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.881 1.969 19623 87 1 1 . 1 1 17 17 ILE C C 17 177.604 177.604 177.677 -0.073 19623 88 1 1 . 1 1 17 17 ILE CA C 17 66.545 66.545 63.912 2.633 19623 89 1 1 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.514 0.329 19623 90 1 1 . 1 1 17 17 ILE H H 17 8.500 8.500 7.962 0.538 19623 91 1 1 . 1 1 18 18 LYS N N 18 119.838 119.838 122.028 -2.190 19623 92 1 1 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.893 -0.028 19623 93 1 1 . 1 1 18 18 LYS C C 18 176.653 176.653 178.579 -1.926 19623 94 1 1 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.313 -0.124 19623 95 1 1 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.182 0.078 19623 96 1 1 . 1 1 18 18 LYS H H 18 7.833 7.833 7.998 -0.165 19623 97 1 1 . 1 1 19 19 ASP N N 19 120.497 120.497 120.146 0.351 19623 98 1 1 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.299 0.270 19623 99 1 1 . 1 1 19 19 ASP C C 19 179.120 179.120 178.940 0.180 19623 100 1 1 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.161 -0.053 19623 101 1 1 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.520 0.333 19623 102 1 1 . 1 1 19 19 ASP H H 19 8.479 8.479 7.923 0.556 19623 103 1 1 . 1 1 20 20 LEU N N 20 121.660 121.660 119.943 1.717 19623 104 1 1 . 1 1 20 20 LEU HA H 20 4.148 4.148 3.978 0.170 19623 105 1 1 . 1 1 20 20 LEU C C 20 178.377 178.377 179.024 -0.647 19623 106 1 1 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.224 0.001 19623 107 1 1 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.714 -0.129 19623 108 1 1 . 1 1 20 20 LEU H H 20 8.136 8.136 8.005 0.131 19623 109 1 1 . 1 1 21 21 LYS N N 21 120.182 120.182 119.197 0.985 19623 110 1 1 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.088 -0.184 19623 111 1 1 . 1 1 21 21 LYS C C 21 179.785 179.785 179.829 -0.044 19623 112 1 1 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.185 0.372 19623 113 1 1 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.295 -2.640 19623 114 1 1 . 1 1 21 21 LYS H H 21 8.043 8.043 8.028 0.015 19623 115 1 1 . 1 1 22 22 ILE N N 22 121.523 121.523 119.899 1.624 19623 116 1 1 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.707 -0.185 19623 117 1 1 . 1 1 22 22 ILE C C 22 177.399 177.399 176.828 0.571 19623 118 1 1 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.032 0.831 19623 119 1 1 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.889 0.157 19623 120 1 1 . 1 1 22 22 ILE H H 22 8.735 8.735 7.649 1.086 19623 121 1 1 . 1 1 23 23 TYR N N 23 117.506 117.506 117.318 0.188 19623 122 1 1 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.508 -0.027 19623 123 1 1 . 1 1 23 23 TYR C C 23 176.020 176.020 175.551 0.469 19623 124 1 1 . 1 1 23 23 TYR CA C 23 58.369 58.369 57.489 0.880 19623 125 1 1 . 1 1 23 23 TYR CB C 23 38.499 38.499 37.872 0.627 19623 126 1 1 . 1 1 23 23 TYR H H 23 7.291 7.291 7.258 0.033 19623 127 1 1 . 1 1 24 24 GLY N N 24 108.209 108.209 108.057 0.152 19623 128 1 1 . 1 1 24 24 GLY C C 24 174.651 174.651 174.992 -0.341 19623 129 1 1 . 1 1 24 24 GLY CA C 24 46.409 46.409 45.495 0.914 19623 130 1 1 . 1 1 24 24 GLY H H 24 7.910 7.910 7.429 0.481 19623 131 1 1 . 1 1 25 25 ILE N N 25 119.897 119.897 121.619 -1.722 19623 132 1 1 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.132 -0.385 19623 133 1 1 . 1 1 25 25 ILE C C 25 175.864 175.864 176.539 -0.675 19623 134 1 1 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.476 0.508 19623 135 1 1 . 1 1 25 25 ILE CB C 25 37.120 37.120 37.391 -0.271 19623 136 1 1 . 1 1 25 25 ILE H H 25 7.383 7.383 7.981 -0.598 19623 137 1 1 . 1 1 26 26 GLY N N 26 111.580 111.580 115.069 -3.489 19623 138 1 1 . 1 1 26 26 GLY C C 26 174.847 174.847 175.163 -0.316 19623 139 1 1 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.294 1.028 19623 140 1 1 . 1 1 26 26 GLY H H 26 8.811 8.811 8.405 0.406 19623 141 1 1 . 1 1 27 27 GLU N N 27 120.229 120.229 120.087 0.142 19623 142 1 1 . 1 1 27 27 GLU C C 27 177.311 177.311 178.597 -1.286 19623 143 1 1 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.542 0.188 19623 144 1 1 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.684 0.249 19623 145 1 1 . 1 1 27 27 GLU H H 27 8.711 8.711 8.959 -0.247 19623 146 1 1 . 1 1 28 28 HIS N N 28 117.558 117.558 118.505 -0.947 19623 147 1 1 . 1 1 28 28 HIS C C 28 176.949 176.949 176.428 0.521 19623 148 1 1 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.293 0.381 19623 149 1 1 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.373 0.465 19623 150 1 1 . 1 1 28 28 HIS H H 28 8.870 8.870 8.564 0.306 19623 151 1 1 . 1 1 29 29 TYR N N 29 115.589 115.589 115.488 0.101 19623 152 1 1 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.412 -0.322 19623 153 1 1 . 1 1 29 29 TYR C C 29 177.552 177.552 177.389 0.163 19623 154 1 1 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.315 0.683 19623 155 1 1 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.141 -0.458 19623 156 1 1 . 1 1 29 29 TYR H H 29 7.227 7.227 7.558 -0.331 19623 157 1 1 . 1 1 30 30 ILE N N 30 120.353 120.353 121.148 -0.795 19623 158 1 1 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.543 -0.099 19623 159 1 1 . 1 1 30 30 ILE C C 30 178.211 178.211 177.639 0.572 19623 160 1 1 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.756 -0.116 19623 161 1 1 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.678 -0.125 19623 162 1 1 . 1 1 30 30 ILE H H 30 7.485 7.485 7.941 -0.456 19623 163 1 1 . 1 1 31 31 LYS N N 31 117.249 117.249 119.261 -2.012 19623 164 1 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.064 -0.053 19623 165 1 1 . 1 1 31 31 LYS C C 31 178.954 178.954 178.869 0.085 19623 166 1 1 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.201 -0.308 19623 167 1 1 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.179 -0.506 19623 168 1 1 . 1 1 31 31 LYS H H 31 8.064 8.064 8.163 -0.099 19623 169 1 1 . 1 1 32 32 LEU N N 32 117.176 117.176 119.621 -2.445 19623 170 1 1 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.929 -0.035 19623 171 1 1 . 1 1 32 32 LEU C C 32 179.883 179.883 177.839 2.044 19623 172 1 1 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.508 0.479 19623 173 1 1 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.614 -0.359 19623 174 1 1 . 1 1 32 32 LEU H H 32 7.154 7.154 7.213 -0.059 19623 175 1 1 . 1 1 33 33 ILE N N 33 118.598 118.598 115.527 3.071 19623 176 1 1 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.732 -0.161 19623 177 1 1 . 1 1 33 33 ILE C C 33 177.917 177.917 178.946 -1.029 19623 178 1 1 . 1 1 33 33 ILE CA C 33 63.579 63.579 62.688 0.891 19623 179 1 1 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.508 -1.806 19623 180 1 1 . 1 1 33 33 ILE H H 33 7.412 7.412 7.454 -0.042 19623 181 1 1 . 1 1 34 34 GLU N N 34 116.574 116.574 120.053 -3.479 19623 182 1 1 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.003 -0.177 19623 183 1 1 . 1 1 34 34 GLU C C 34 178.661 178.661 178.649 0.012 19623 184 1 1 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.760 -0.071 19623 185 1 1 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.356 0.499 19623 186 1 1 . 1 1 34 34 GLU H H 34 7.987 7.987 7.779 0.208 19623 187 1 1 . 1 1 35 35 LYS N N 35 114.863 114.863 117.817 -2.954 19623 188 1 1 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.310 -0.103 19623 189 1 1 . 1 1 35 35 LYS C C 35 176.861 176.861 175.836 1.025 19623 190 1 1 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.409 0.919 19623 191 1 1 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.719 0.287 19623 192 1 1 . 1 1 35 35 LYS H H 35 7.361 7.361 7.736 -0.375 19623 193 1 1 . 1 1 36 36 ALA N N 36 124.407 124.407 124.857 -0.450 19623 194 1 1 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.209 -0.080 19623 195 1 1 . 1 1 36 36 ALA C C 36 178.279 178.279 177.671 0.608 19623 196 1 1 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.904 0.353 19623 197 1 1 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.707 -0.126 19623 198 1 1 . 1 1 36 36 ALA H H 36 7.365 7.365 7.462 -0.097 19623 199 1 1 . 1 1 37 37 LYS N N 37 116.217 116.217 119.862 -3.645 19623 200 1 1 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.148 0.235 19623 201 1 1 . 1 1 37 37 LYS C C 37 176.167 176.167 176.117 0.050 19623 202 1 1 . 1 1 37 37 LYS CA C 37 56.602 56.602 57.931 -1.329 19623 203 1 1 . 1 1 37 37 LYS CB C 37 34.883 34.883 32.781 2.103 19623 204 1 1 . 1 1 37 37 LYS H H 37 8.908 8.908 8.667 0.241 19623 205 1 1 . 1 1 38 38 GLN N N 38 113.293 113.293 114.220 -0.927 19623 206 1 1 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.499 0.314 19623 207 1 1 . 1 1 38 38 GLN C C 38 176.138 176.138 175.502 0.636 19623 208 1 1 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.919 -0.802 19623 209 1 1 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.274 0.948 19623 210 1 1 . 1 1 38 38 GLN H H 38 7.033 7.033 7.552 -0.519 19623 211 1 1 . 1 1 39 39 VAL N N 39 125.474 125.474 120.845 4.629 19623 212 1 1 . 1 1 39 39 VAL C C 39 177.751 177.751 177.701 0.050 19623 213 1 1 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.212 1.525 19623 214 1 1 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.390 0.048 19623 215 1 1 . 1 1 39 39 VAL H H 39 9.250 9.250 8.734 0.516 19623 216 1 1 . 1 1 40 40 ALA N N 40 120.717 120.717 122.523 -1.806 19623 217 1 1 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.086 -0.045 19623 218 1 1 . 1 1 40 40 ALA C C 40 179.081 179.081 179.339 -0.258 19623 219 1 1 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.256 -0.197 19623 220 1 1 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.981 -0.246 19623 221 1 1 . 1 1 40 40 ALA H H 40 8.903 8.903 8.334 0.569 19623 222 1 1 . 1 1 41 41 ALA N N 41 116.698 116.698 121.042 -4.344 19623 223 1 1 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.030 0.206 19623 224 1 1 . 1 1 41 41 ALA C C 41 180.294 180.294 179.776 0.518 19623 225 1 1 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.654 0.034 19623 226 1 1 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.141 0.583 19623 227 1 1 . 1 1 41 41 ALA H H 41 6.701 6.701 7.485 -0.784 19623 228 1 1 . 1 1 42 42 VAL N N 42 119.051 119.051 119.013 0.038 19623 229 1 1 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.461 -0.183 19623 230 1 1 . 1 1 42 42 VAL C C 42 176.812 176.812 178.318 -1.506 19623 231 1 1 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.140 0.501 19623 232 1 1 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.611 -0.212 19623 233 1 1 . 1 1 42 42 VAL H H 42 7.552 7.552 8.121 -0.569 19623 234 1 1 . 1 1 43 43 GLU N N 43 117.715 117.715 119.692 -1.977 19623 235 1 1 . 1 1 43 43 GLU HA H 43 3.855 3.855 3.985 -0.130 19623 236 1 1 . 1 1 43 43 GLU C C 43 178.973 178.973 178.934 0.039 19623 237 1 1 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.938 -0.544 19623 238 1 1 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.476 -0.665 19623 239 1 1 . 1 1 43 43 GLU H H 43 7.804 7.804 8.217 -0.413 19623 240 1 1 . 1 1 44 44 ASP N N 44 119.175 119.175 120.413 -1.238 19623 241 1 1 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.462 -0.099 19623 242 1 1 . 1 1 44 44 ASP C C 44 178.211 178.211 178.899 -0.688 19623 243 1 1 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.095 0.213 19623 244 1 1 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.613 -0.109 19623 245 1 1 . 1 1 44 44 ASP H H 44 8.169 8.169 8.116 0.053 19623 246 1 1 . 1 1 45 45 LEU N N 45 117.848 117.848 120.554 -2.706 19623 247 1 1 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.935 0.184 19623 248 1 1 . 1 1 45 45 LEU C C 45 178.416 178.416 178.594 -0.178 19623 249 1 1 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.944 -0.650 19623 250 1 1 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.851 -1.377 19623 251 1 1 . 1 1 45 45 LEU H H 45 8.119 8.119 8.479 -0.359 19623 252 1 1 . 1 1 46 46 LYS N N 46 119.462 119.462 119.789 -0.327 19623 253 1 1 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.809 0.163 19623 254 1 1 . 1 1 46 46 LYS C C 46 177.653 177.653 178.626 -0.973 19623 255 1 1 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.156 0.120 19623 256 1 1 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.154 -0.704 19623 257 1 1 . 1 1 46 46 LYS H H 46 8.483 8.483 7.939 0.544 19623 258 1 1 . 1 1 47 47 ASP N N 47 117.470 117.470 119.318 -1.848 19623 259 1 1 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.341 0.003 19623 260 1 1 . 1 1 47 47 ASP C C 47 179.384 179.384 178.996 0.388 19623 261 1 1 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.357 0.330 19623 262 1 1 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.216 0.593 19623 263 1 1 . 1 1 47 47 ASP H H 47 7.846 7.846 7.887 -0.041 19623 264 1 1 . 1 1 48 48 GLU N N 48 119.662 119.662 119.679 -0.017 19623 265 1 1 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.085 -0.074 19623 266 1 1 . 1 1 48 48 GLU C C 48 180.724 180.724 179.357 1.367 19623 267 1 1 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.738 1.353 19623 268 1 1 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.395 2.596 19623 269 1 1 . 1 1 48 48 GLU H H 48 8.327 8.327 7.891 0.436 19623 270 1 1 . 1 1 49 49 ILE N N 49 120.308 120.308 120.911 -0.603 19623 271 1 1 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.567 0.171 19623 272 1 1 . 1 1 49 49 ILE C C 49 179.238 179.238 177.981 1.257 19623 273 1 1 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.375 -0.783 19623 274 1 1 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.896 0.063 19623 275 1 1 . 1 1 49 49 ILE H H 49 7.667 7.667 8.393 -0.726 19623 276 1 1 . 1 1 50 50 LEU N N 50 121.274 121.274 119.619 1.655 19623 277 1 1 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.904 0.655 19623 278 1 1 . 1 1 50 50 LEU C C 50 179.971 179.971 179.041 0.930 19623 279 1 1 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.318 0.476 19623 280 1 1 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.075 -0.219 19623 281 1 1 . 1 1 50 50 LEU H H 50 8.474 8.474 7.912 0.562 19623 282 1 1 . 1 1 51 51 LYS N N 51 119.972 119.972 120.009 -0.037 19623 283 1 1 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.896 0.086 19623 284 1 1 . 1 1 51 51 LYS C C 51 179.189 179.189 178.946 0.243 19623 285 1 1 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.712 -0.186 19623 286 1 1 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.118 0.057 19623 287 1 1 . 1 1 51 51 LYS H H 51 8.197 8.197 8.137 0.060 19623 288 1 1 . 1 1 52 52 ALA N N 52 121.059 121.059 120.695 0.364 19623 289 1 1 . 1 1 52 52 ALA HA H 52 4.158 4.158 3.981 0.177 19623 290 1 1 . 1 1 52 52 ALA C C 52 178.015 178.015 178.469 -0.454 19623 291 1 1 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.541 -0.879 19623 292 1 1 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.192 -0.288 19623 293 1 1 . 1 1 52 52 ALA H H 52 7.809 7.809 7.603 0.206 19623 294 1 1 . 1 1 53 53 HIS N N 53 115.943 115.943 116.653 -0.710 19623 295 1 1 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.096 0.277 19623 296 1 1 . 1 1 53 53 HIS C C 53 174.015 174.015 176.751 -2.736 19623 297 1 1 . 1 1 53 53 HIS CA C 53 57.409 57.409 58.616 -1.207 19623 298 1 1 . 1 1 53 53 HIS CB C 53 29.010 29.010 29.947 -0.937 19623 299 1 1 . 1 1 53 53 HIS H H 53 7.598 7.598 7.618 -0.020 19623 300 1 1 . 1 1 54 54 ASP N N 54 119.133 119.133 117.237 1.896 19623 301 1 1 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.420 0.022 19623 302 1 1 . 1 1 54 54 ASP C C 54 175.609 175.609 175.528 0.081 19623 303 1 1 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.317 -0.346 19623 304 1 1 . 1 1 54 54 ASP CB C 54 40.209 40.209 40.920 -0.711 19623 305 1 1 . 1 1 54 54 ASP H H 54 7.974 7.974 7.944 0.030 19623 306 1 1 . 1 1 55 55 ARG N N 55 118.206 118.206 120.622 -2.416 19623 307 1 1 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.129 0.195 19623 308 1 1 . 1 1 55 55 ARG C C 55 174.671 174.671 174.441 0.230 19623 309 1 1 . 1 1 55 55 ARG CA C 55 54.785 54.785 56.364 -1.579 19623 310 1 1 . 1 1 55 55 ARG CB C 55 30.507 30.507 29.993 0.514 19623 311 1 1 . 1 1 55 55 ARG H H 55 7.943 7.943 7.287 0.656 19623 312 1 2 . 1 1 2 2 GLY N N 2 113.169 113.169 108.295 4.874 19623 313 1 2 . 1 1 2 2 GLY C C 2 173.996 173.996 173.401 0.595 19623 314 1 2 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.050 0.161 19623 315 1 2 . 1 1 2 2 GLY H H 2 8.533 8.533 8.321 0.212 19623 316 1 2 . 1 1 3 3 ASP N N 3 120.717 120.717 119.749 0.968 19623 317 1 2 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.481 0.078 19623 318 1 2 . 1 1 3 3 ASP C C 3 176.675 176.675 177.160 -0.485 19623 319 1 2 . 1 1 3 3 ASP CA C 3 54.489 54.489 54.106 0.383 19623 320 1 2 . 1 1 3 3 ASP CB C 3 41.197 41.197 40.988 0.209 19623 321 1 2 . 1 1 3 3 ASP H H 3 8.412 8.412 7.940 0.472 19623 322 1 2 . 1 1 4 4 LYS N N 4 121.955 121.955 123.420 -1.465 19623 323 1 2 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.257 -0.011 19623 324 1 2 . 1 1 4 4 LYS C C 4 177.301 177.301 177.261 0.040 19623 325 1 2 . 1 1 4 4 LYS CA C 4 56.606 56.606 54.529 2.077 19623 326 1 2 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.349 0.087 19623 327 1 2 . 1 1 4 4 LYS H H 4 8.490 8.490 8.146 0.344 19623 328 1 2 . 1 1 5 5 GLY N N 5 109.376 109.376 108.128 1.248 19623 329 1 2 . 1 1 5 5 GLY C C 5 174.045 174.045 174.617 -0.572 19623 330 1 2 . 1 1 5 5 GLY CA C 5 45.305 45.305 45.596 -0.291 19623 331 1 2 . 1 1 5 5 GLY H H 5 8.491 8.491 8.159 0.332 19623 332 1 2 . 1 1 6 6 TYR N N 6 120.416 120.416 118.184 2.232 19623 333 1 2 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.390 0.120 19623 334 1 2 . 1 1 6 6 TYR C C 6 175.952 175.952 175.747 0.205 19623 335 1 2 . 1 1 6 6 TYR CA C 6 58.383 58.383 55.553 2.830 19623 336 1 2 . 1 1 6 6 TYR CB C 6 38.562 38.562 38.854 -0.292 19623 337 1 2 . 1 1 6 6 TYR H H 6 8.134 8.134 8.047 0.087 19623 338 1 2 . 1 1 7 7 ASN N N 7 122.415 122.415 121.369 1.046 19623 339 1 2 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.523 0.065 19623 340 1 2 . 1 1 7 7 ASN C C 7 175.521 175.521 176.085 -0.564 19623 341 1 2 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.974 -0.566 19623 342 1 2 . 1 1 7 7 ASN CB C 7 38.780 38.780 37.573 1.207 19623 343 1 2 . 1 1 7 7 ASN H H 7 8.557 8.557 8.729 -0.172 19623 344 1 2 . 1 1 8 8 GLY N N 8 109.431 109.431 113.611 -4.180 19623 345 1 2 . 1 1 8 8 GLY C C 8 175.609 175.609 174.935 0.674 19623 346 1 2 . 1 1 8 8 GLY CA C 8 45.990 45.990 44.924 1.066 19623 347 1 2 . 1 1 8 8 GLY H H 8 8.285 8.285 8.694 -0.409 19623 348 1 2 . 1 1 9 9 LEU N N 9 123.596 123.596 122.452 1.144 19623 349 1 2 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.146 -0.213 19623 350 1 2 . 1 1 9 9 LEU C C 9 177.458 177.458 177.404 0.054 19623 351 1 2 . 1 1 9 9 LEU CA C 9 58.248 58.248 58.385 -0.137 19623 352 1 2 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.693 -0.003 19623 353 1 2 . 1 1 9 9 LEU H H 9 8.136 8.136 7.928 0.208 19623 354 1 2 . 1 1 10 10 ALA N N 10 121.310 121.310 120.952 0.358 19623 355 1 2 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.873 0.060 19623 356 1 2 . 1 1 10 10 ALA C C 10 181.140 181.140 178.928 2.212 19623 357 1 2 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.550 -0.045 19623 358 1 2 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.737 0.054 19623 359 1 2 . 1 1 10 10 ALA H H 10 8.361 8.361 8.668 -0.307 19623 360 1 2 . 1 1 11 11 GLU N N 11 118.893 118.893 119.874 -0.981 19623 361 1 2 . 1 1 11 11 GLU HA H 11 3.992 3.992 3.970 0.022 19623 362 1 2 . 1 1 11 11 GLU C C 11 178.797 178.797 178.263 0.534 19623 363 1 2 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.391 0.501 19623 364 1 2 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.306 -0.316 19623 365 1 2 . 1 1 11 11 GLU H H 11 8.490 8.490 8.237 0.253 19623 366 1 2 . 1 1 12 12 ALA N N 12 122.362 122.362 121.824 0.538 19623 367 1 2 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.083 -0.003 19623 368 1 2 . 1 1 12 12 ALA C C 12 181.228 181.228 179.872 1.356 19623 369 1 2 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.174 0.044 19623 370 1 2 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.354 0.108 19623 371 1 2 . 1 1 12 12 ALA H H 12 8.099 8.099 8.163 -0.064 19623 372 1 2 . 1 1 13 13 LYS N N 13 118.689 118.689 118.519 0.170 19623 373 1 2 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.910 -0.290 19623 374 1 2 . 1 1 13 13 LYS C C 13 177.203 177.203 178.901 -1.698 19623 375 1 2 . 1 1 13 13 LYS CA C 13 60.390 60.390 60.290 0.100 19623 376 1 2 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.321 1.303 19623 377 1 2 . 1 1 13 13 LYS H H 13 8.382 8.382 8.282 0.100 19623 378 1 2 . 1 1 14 14 GLU N N 14 117.865 117.865 119.612 -1.747 19623 379 1 2 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.087 0.198 19623 380 1 2 . 1 1 14 14 GLU C C 14 179.404 179.404 178.952 0.452 19623 381 1 2 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.377 0.630 19623 382 1 2 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.657 -0.239 19623 383 1 2 . 1 1 14 14 GLU H H 14 7.952 7.952 8.098 -0.146 19623 384 1 2 . 1 1 15 15 LYS N N 15 119.020 119.020 118.935 0.085 19623 385 1 2 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.090 -0.157 19623 386 1 2 . 1 1 15 15 LYS C C 15 177.976 177.976 178.956 -0.980 19623 387 1 2 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.192 0.399 19623 388 1 2 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.387 -0.112 19623 389 1 2 . 1 1 15 15 LYS H H 15 8.029 8.029 8.079 -0.050 19623 390 1 2 . 1 1 16 16 ALA N N 16 120.410 120.410 122.226 -1.816 19623 391 1 2 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.155 -0.193 19623 392 1 2 . 1 1 16 16 ALA C C 16 179.140 179.140 179.489 -0.349 19623 393 1 2 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.218 0.208 19623 394 1 2 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.667 -0.257 19623 395 1 2 . 1 1 16 16 ALA H H 16 7.904 7.904 8.106 -0.202 19623 396 1 2 . 1 1 17 17 ILE N N 17 117.363 117.363 114.463 2.900 19623 397 1 2 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.946 1.904 19623 398 1 2 . 1 1 17 17 ILE C C 17 177.604 177.604 177.609 -0.005 19623 399 1 2 . 1 1 17 17 ILE CA C 17 66.545 66.545 63.658 2.887 19623 400 1 2 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.575 0.268 19623 401 1 2 . 1 1 17 17 ILE H H 17 8.500 8.500 7.567 0.933 19623 402 1 2 . 1 1 18 18 LYS N N 18 119.838 119.838 122.056 -2.218 19623 403 1 2 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.927 -0.062 19623 404 1 2 . 1 1 18 18 LYS C C 18 176.653 176.653 178.685 -2.032 19623 405 1 2 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.287 -0.098 19623 406 1 2 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.176 0.084 19623 407 1 2 . 1 1 18 18 LYS H H 18 7.833 7.833 8.179 -0.346 19623 408 1 2 . 1 1 19 19 ASP N N 19 120.497 120.497 119.952 0.545 19623 409 1 2 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.397 0.172 19623 410 1 2 . 1 1 19 19 ASP C C 19 179.120 179.120 178.873 0.247 19623 411 1 2 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.010 0.098 19623 412 1 2 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.583 0.270 19623 413 1 2 . 1 1 19 19 ASP H H 19 8.479 8.479 7.771 0.708 19623 414 1 2 . 1 1 20 20 LEU N N 20 121.660 121.660 120.526 1.134 19623 415 1 2 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.015 0.133 19623 416 1 2 . 1 1 20 20 LEU C C 20 178.377 178.377 178.932 -0.555 19623 417 1 2 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.333 -0.108 19623 418 1 2 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.703 -0.118 19623 419 1 2 . 1 1 20 20 LEU H H 20 8.136 8.136 7.646 0.490 19623 420 1 2 . 1 1 21 21 LYS N N 21 120.182 120.182 118.857 1.325 19623 421 1 2 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.032 -0.128 19623 422 1 2 . 1 1 21 21 LYS C C 21 179.785 179.785 179.185 0.600 19623 423 1 2 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.213 0.344 19623 424 1 2 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.315 -2.660 19623 425 1 2 . 1 1 21 21 LYS H H 21 8.043 8.043 8.009 0.034 19623 426 1 2 . 1 1 22 22 ILE N N 22 121.523 121.523 118.638 2.885 19623 427 1 2 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.711 -0.189 19623 428 1 2 . 1 1 22 22 ILE C C 22 177.399 177.399 177.686 -0.287 19623 429 1 2 . 1 1 22 22 ILE CA C 22 64.863 64.863 63.985 0.878 19623 430 1 2 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.980 0.067 19623 431 1 2 . 1 1 22 22 ILE H H 22 8.735 8.735 7.295 1.440 19623 432 1 2 . 1 1 23 23 TYR N N 23 117.506 117.506 117.358 0.148 19623 433 1 2 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.555 -0.074 19623 434 1 2 . 1 1 23 23 TYR C C 23 176.020 176.020 176.017 0.003 19623 435 1 2 . 1 1 23 23 TYR CA C 23 58.369 58.369 58.116 0.253 19623 436 1 2 . 1 1 23 23 TYR CB C 23 38.499 38.499 37.637 0.862 19623 437 1 2 . 1 1 23 23 TYR H H 23 7.291 7.291 7.740 -0.449 19623 438 1 2 . 1 1 24 24 GLY N N 24 108.209 108.209 107.301 0.908 19623 439 1 2 . 1 1 24 24 GLY C C 24 174.651 174.651 174.606 0.045 19623 440 1 2 . 1 1 24 24 GLY CA C 24 46.409 46.409 45.104 1.305 19623 441 1 2 . 1 1 24 24 GLY H H 24 7.910 7.910 7.460 0.450 19623 442 1 2 . 1 1 25 25 ILE N N 25 119.897 119.897 122.354 -2.457 19623 443 1 2 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.027 -0.280 19623 444 1 2 . 1 1 25 25 ILE C C 25 175.864 175.864 176.203 -0.339 19623 445 1 2 . 1 1 25 25 ILE CA C 25 60.984 60.984 61.378 -0.394 19623 446 1 2 . 1 1 25 25 ILE CB C 25 37.120 37.120 38.773 -1.653 19623 447 1 2 . 1 1 25 25 ILE H H 25 7.383 7.383 8.002 -0.619 19623 448 1 2 . 1 1 26 26 GLY N N 26 111.580 111.580 114.860 -3.280 19623 449 1 2 . 1 1 26 26 GLY C C 26 174.847 174.847 175.096 -0.249 19623 450 1 2 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.481 0.841 19623 451 1 2 . 1 1 26 26 GLY H H 26 8.811 8.811 8.310 0.501 19623 452 1 2 . 1 1 27 27 GLU N N 27 120.229 120.229 119.220 1.009 19623 453 1 2 . 1 1 27 27 GLU C C 27 177.311 177.311 178.642 -1.331 19623 454 1 2 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.454 0.276 19623 455 1 2 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.661 0.272 19623 456 1 2 . 1 1 27 27 GLU H H 27 8.711 8.711 8.905 -0.194 19623 457 1 2 . 1 1 28 28 HIS N N 28 117.558 117.558 118.493 -0.935 19623 458 1 2 . 1 1 28 28 HIS C C 28 176.949 176.949 176.243 0.706 19623 459 1 2 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.266 0.408 19623 460 1 2 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.416 0.422 19623 461 1 2 . 1 1 28 28 HIS H H 28 8.870 8.870 8.597 0.273 19623 462 1 2 . 1 1 29 29 TYR N N 29 115.589 115.589 115.103 0.486 19623 463 1 2 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.467 -0.377 19623 464 1 2 . 1 1 29 29 TYR C C 29 177.552 177.552 177.220 0.332 19623 465 1 2 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.154 0.844 19623 466 1 2 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.379 -0.696 19623 467 1 2 . 1 1 29 29 TYR H H 29 7.227 7.227 7.545 -0.318 19623 468 1 2 . 1 1 30 30 ILE N N 30 120.353 120.353 121.301 -0.948 19623 469 1 2 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.558 -0.114 19623 470 1 2 . 1 1 30 30 ILE C C 30 178.211 178.211 177.655 0.556 19623 471 1 2 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.804 -0.164 19623 472 1 2 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.766 -0.213 19623 473 1 2 . 1 1 30 30 ILE H H 30 7.485 7.485 7.825 -0.340 19623 474 1 2 . 1 1 31 31 LYS N N 31 117.249 117.249 119.124 -1.875 19623 475 1 2 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.248 -0.237 19623 476 1 2 . 1 1 31 31 LYS C C 31 178.954 178.954 178.905 0.049 19623 477 1 2 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.055 -0.162 19623 478 1 2 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.170 -0.497 19623 479 1 2 . 1 1 31 31 LYS H H 31 8.064 8.064 8.247 -0.183 19623 480 1 2 . 1 1 32 32 LEU N N 32 117.176 117.176 119.328 -2.152 19623 481 1 2 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.929 -0.035 19623 482 1 2 . 1 1 32 32 LEU C C 32 179.883 179.883 178.037 1.846 19623 483 1 2 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.598 0.389 19623 484 1 2 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.840 -0.585 19623 485 1 2 . 1 1 32 32 LEU H H 32 7.154 7.154 7.343 -0.189 19623 486 1 2 . 1 1 33 33 ILE N N 33 118.598 118.598 115.762 2.836 19623 487 1 2 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.724 -0.153 19623 488 1 2 . 1 1 33 33 ILE C C 33 177.917 177.917 178.797 -0.880 19623 489 1 2 . 1 1 33 33 ILE CA C 33 63.579 63.579 63.623 -0.044 19623 490 1 2 . 1 1 33 33 ILE CB C 33 35.702 35.702 38.184 -2.482 19623 491 1 2 . 1 1 33 33 ILE H H 33 7.412 7.412 7.423 -0.011 19623 492 1 2 . 1 1 34 34 GLU N N 34 116.574 116.574 120.311 -3.737 19623 493 1 2 . 1 1 34 34 GLU HA H 34 3.826 3.826 3.996 -0.170 19623 494 1 2 . 1 1 34 34 GLU C C 34 178.661 178.661 177.751 0.910 19623 495 1 2 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.494 0.195 19623 496 1 2 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.439 0.416 19623 497 1 2 . 1 1 34 34 GLU H H 34 7.987 7.987 7.919 0.068 19623 498 1 2 . 1 1 35 35 LYS N N 35 114.863 114.863 116.170 -1.307 19623 499 1 2 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.314 -0.107 19623 500 1 2 . 1 1 35 35 LYS C C 35 176.861 176.861 175.592 1.269 19623 501 1 2 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.067 1.261 19623 502 1 2 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.652 0.355 19623 503 1 2 . 1 1 35 35 LYS H H 35 7.361 7.361 7.602 -0.241 19623 504 1 2 . 1 1 36 36 ALA N N 36 124.407 124.407 124.216 0.191 19623 505 1 2 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.233 -0.104 19623 506 1 2 . 1 1 36 36 ALA C C 36 178.279 178.279 176.762 1.517 19623 507 1 2 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.571 0.686 19623 508 1 2 . 1 1 36 36 ALA CB C 36 19.581 19.581 20.042 -0.461 19623 509 1 2 . 1 1 36 36 ALA H H 36 7.365 7.365 7.369 -0.004 19623 510 1 2 . 1 1 37 37 LYS N N 37 116.217 116.217 119.081 -2.864 19623 511 1 2 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.273 0.110 19623 512 1 2 . 1 1 37 37 LYS C C 37 176.167 176.167 176.463 -0.296 19623 513 1 2 . 1 1 37 37 LYS CA C 37 56.602 56.602 57.448 -0.846 19623 514 1 2 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.526 1.357 19623 515 1 2 . 1 1 37 37 LYS H H 37 8.908 8.908 8.423 0.485 19623 516 1 2 . 1 1 38 38 GLN N N 38 113.293 113.293 116.839 -3.546 19623 517 1 2 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.357 0.456 19623 518 1 2 . 1 1 38 38 GLN C C 38 176.138 176.138 176.485 -0.347 19623 519 1 2 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.062 0.055 19623 520 1 2 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.904 0.318 19623 521 1 2 . 1 1 38 38 GLN H H 38 7.033 7.033 7.944 -0.911 19623 522 1 2 . 1 1 39 39 VAL N N 39 125.474 125.474 122.952 2.522 19623 523 1 2 . 1 1 39 39 VAL C C 39 177.751 177.751 177.535 0.216 19623 524 1 2 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.900 0.837 19623 525 1 2 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.864 -0.426 19623 526 1 2 . 1 1 39 39 VAL H H 39 9.250 9.250 9.165 0.085 19623 527 1 2 . 1 1 40 40 ALA N N 40 120.717 120.717 122.160 -1.443 19623 528 1 2 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.085 -0.044 19623 529 1 2 . 1 1 40 40 ALA C C 40 179.081 179.081 179.119 -0.038 19623 530 1 2 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.212 -0.153 19623 531 1 2 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.913 -0.178 19623 532 1 2 . 1 1 40 40 ALA H H 40 8.903 8.903 8.342 0.561 19623 533 1 2 . 1 1 41 41 ALA N N 41 116.698 116.698 121.565 -4.867 19623 534 1 2 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.065 0.171 19623 535 1 2 . 1 1 41 41 ALA C C 41 180.294 180.294 179.988 0.306 19623 536 1 2 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.745 -0.057 19623 537 1 2 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.291 0.433 19623 538 1 2 . 1 1 41 41 ALA H H 41 6.701 6.701 8.239 -1.538 19623 539 1 2 . 1 1 42 42 VAL N N 42 119.051 119.051 118.889 0.162 19623 540 1 2 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.472 -0.194 19623 541 1 2 . 1 1 42 42 VAL C C 42 176.812 176.812 178.326 -1.514 19623 542 1 2 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.118 0.523 19623 543 1 2 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.649 -0.250 19623 544 1 2 . 1 1 42 42 VAL H H 42 7.552 7.552 8.075 -0.523 19623 545 1 2 . 1 1 43 43 GLU N N 43 117.715 117.715 119.635 -1.920 19623 546 1 2 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.001 -0.146 19623 547 1 2 . 1 1 43 43 GLU C C 43 178.973 178.973 178.955 0.018 19623 548 1 2 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.900 -0.507 19623 549 1 2 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.483 -0.672 19623 550 1 2 . 1 1 43 43 GLU H H 43 7.804 7.804 8.079 -0.275 19623 551 1 2 . 1 1 44 44 ASP N N 44 119.175 119.175 120.536 -1.361 19623 552 1 2 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.456 -0.093 19623 553 1 2 . 1 1 44 44 ASP C C 44 178.211 178.211 178.894 -0.683 19623 554 1 2 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.201 0.107 19623 555 1 2 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.582 -0.078 19623 556 1 2 . 1 1 44 44 ASP H H 44 8.169 8.169 8.247 -0.078 19623 557 1 2 . 1 1 45 45 LEU N N 45 117.848 117.848 120.472 -2.624 19623 558 1 2 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.945 0.174 19623 559 1 2 . 1 1 45 45 LEU C C 45 178.416 178.416 178.599 -0.183 19623 560 1 2 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.886 -0.592 19623 561 1 2 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.833 -1.359 19623 562 1 2 . 1 1 45 45 LEU H H 45 8.119 8.119 8.346 -0.227 19623 563 1 2 . 1 1 46 46 LYS N N 46 119.462 119.462 119.825 -0.363 19623 564 1 2 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.820 0.152 19623 565 1 2 . 1 1 46 46 LYS C C 46 177.653 177.653 178.632 -0.979 19623 566 1 2 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.105 0.171 19623 567 1 2 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.139 -0.689 19623 568 1 2 . 1 1 46 46 LYS H H 46 8.483 8.483 8.038 0.445 19623 569 1 2 . 1 1 47 47 ASP N N 47 117.470 117.470 118.931 -1.461 19623 570 1 2 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.347 -0.003 19623 571 1 2 . 1 1 47 47 ASP C C 47 179.384 179.384 178.684 0.700 19623 572 1 2 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.316 0.371 19623 573 1 2 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.269 0.540 19623 574 1 2 . 1 1 47 47 ASP H H 47 7.846 7.846 7.987 -0.141 19623 575 1 2 . 1 1 48 48 GLU N N 48 119.662 119.662 119.755 -0.093 19623 576 1 2 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.077 -0.066 19623 577 1 2 . 1 1 48 48 GLU C C 48 180.724 180.724 179.361 1.363 19623 578 1 2 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.716 1.375 19623 579 1 2 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.414 2.577 19623 580 1 2 . 1 1 48 48 GLU H H 48 8.327 8.327 7.892 0.435 19623 581 1 2 . 1 1 49 49 ILE N N 49 120.308 120.308 120.695 -0.387 19623 582 1 2 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.604 0.134 19623 583 1 2 . 1 1 49 49 ILE C C 49 179.238 179.238 178.064 1.174 19623 584 1 2 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.158 -0.566 19623 585 1 2 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.943 0.016 19623 586 1 2 . 1 1 49 49 ILE H H 49 7.667 7.667 8.426 -0.759 19623 587 1 2 . 1 1 50 50 LEU N N 50 121.274 121.274 119.598 1.676 19623 588 1 2 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.769 0.790 19623 589 1 2 . 1 1 50 50 LEU C C 50 179.971 179.971 178.787 1.184 19623 590 1 2 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.663 0.130 19623 591 1 2 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.107 -0.251 19623 592 1 2 . 1 1 50 50 LEU H H 50 8.474 8.474 7.784 0.690 19623 593 1 2 . 1 1 51 51 LYS N N 51 119.972 119.972 119.229 0.743 19623 594 1 2 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.785 0.197 19623 595 1 2 . 1 1 51 51 LYS C C 51 179.189 179.189 179.414 -0.225 19623 596 1 2 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.495 0.031 19623 597 1 2 . 1 1 51 51 LYS CB C 51 32.175 32.175 31.919 0.256 19623 598 1 2 . 1 1 51 51 LYS H H 51 8.197 8.197 8.106 0.091 19623 599 1 2 . 1 1 52 52 ALA N N 52 121.059 121.059 121.279 -0.220 19623 600 1 2 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.013 0.145 19623 601 1 2 . 1 1 52 52 ALA C C 52 178.015 178.015 178.072 -0.057 19623 602 1 2 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.178 -0.516 19623 603 1 2 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.338 -0.435 19623 604 1 2 . 1 1 52 52 ALA H H 52 7.809 7.809 7.508 0.301 19623 605 1 2 . 1 1 53 53 HIS N N 53 115.943 115.943 112.575 3.368 19623 606 1 2 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.588 -0.215 19623 607 1 2 . 1 1 53 53 HIS C C 53 174.015 174.015 174.154 -0.139 19623 608 1 2 . 1 1 53 53 HIS CA C 53 57.409 57.409 55.982 1.427 19623 609 1 2 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.247 -1.237 19623 610 1 2 . 1 1 53 53 HIS H H 53 7.598 7.598 7.255 0.343 19623 611 1 2 . 1 1 54 54 ASP N N 54 119.133 119.133 117.379 1.754 19623 612 1 2 . 1 1 54 54 ASP HA H 54 4.442 4.442 3.939 0.503 19623 613 1 2 . 1 1 54 54 ASP C C 54 175.609 175.609 174.921 0.688 19623 614 1 2 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.601 -0.630 19623 615 1 2 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.397 0.812 19623 616 1 2 . 1 1 54 54 ASP H H 54 7.974 7.974 7.667 0.307 19623 617 1 2 . 1 1 55 55 ARG N N 55 118.206 118.206 118.537 -0.331 19623 618 1 2 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.189 0.135 19623 619 1 2 . 1 1 55 55 ARG C C 55 174.671 174.671 174.441 0.230 19623 620 1 2 . 1 1 55 55 ARG CA C 55 54.785 54.785 55.042 -0.258 19623 621 1 2 . 1 1 55 55 ARG CB C 55 30.507 30.507 29.349 1.158 19623 622 1 2 . 1 1 55 55 ARG H H 55 7.943 7.943 7.944 -0.001 19623 623 1 3 . 1 1 2 2 GLY N N 2 113.169 113.169 110.647 2.522 19623 624 1 3 . 1 1 2 2 GLY C C 2 173.996 173.996 173.683 0.313 19623 625 1 3 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.252 -0.041 19623 626 1 3 . 1 1 2 2 GLY H H 2 8.533 8.533 8.965 -0.432 19623 627 1 3 . 1 1 3 3 ASP N N 3 120.717 120.717 121.109 -0.392 19623 628 1 3 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.581 -0.022 19623 629 1 3 . 1 1 3 3 ASP C C 3 176.675 176.675 175.441 1.234 19623 630 1 3 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.540 0.949 19623 631 1 3 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.905 -0.708 19623 632 1 3 . 1 1 3 3 ASP H H 3 8.412 8.412 8.081 0.331 19623 633 1 3 . 1 1 4 4 LYS N N 4 121.955 121.955 119.941 2.014 19623 634 1 3 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.097 0.149 19623 635 1 3 . 1 1 4 4 LYS C C 4 177.301 177.301 177.291 0.010 19623 636 1 3 . 1 1 4 4 LYS CA C 4 56.606 56.606 57.057 -0.451 19623 637 1 3 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.991 -0.555 19623 638 1 3 . 1 1 4 4 LYS H H 4 8.490 8.490 8.417 0.073 19623 639 1 3 . 1 1 5 5 GLY N N 5 109.376 109.376 109.477 -0.101 19623 640 1 3 . 1 1 5 5 GLY C C 5 174.045 174.045 174.224 -0.179 19623 641 1 3 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.745 0.560 19623 642 1 3 . 1 1 5 5 GLY H H 5 8.491 8.491 8.582 -0.092 19623 643 1 3 . 1 1 6 6 TYR N N 6 120.416 120.416 120.233 0.183 19623 644 1 3 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.442 0.068 19623 645 1 3 . 1 1 6 6 TYR C C 6 175.952 175.952 176.218 -0.266 19623 646 1 3 . 1 1 6 6 TYR CA C 6 58.383 58.383 57.298 1.085 19623 647 1 3 . 1 1 6 6 TYR CB C 6 38.562 38.562 37.529 1.033 19623 648 1 3 . 1 1 6 6 TYR H H 6 8.134 8.134 8.027 0.107 19623 649 1 3 . 1 1 7 7 ASN N N 7 122.415 122.415 124.652 -2.237 19623 650 1 3 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.810 -0.222 19623 651 1 3 . 1 1 7 7 ASN C C 7 175.521 175.521 176.142 -0.621 19623 652 1 3 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.802 -0.394 19623 653 1 3 . 1 1 7 7 ASN CB C 7 38.780 38.780 39.868 -1.089 19623 654 1 3 . 1 1 7 7 ASN H H 7 8.557 8.557 8.447 0.110 19623 655 1 3 . 1 1 8 8 GLY N N 8 109.431 109.431 108.478 0.953 19623 656 1 3 . 1 1 8 8 GLY C C 8 175.609 175.609 175.083 0.526 19623 657 1 3 . 1 1 8 8 GLY CA C 8 45.990 45.990 44.377 1.613 19623 658 1 3 . 1 1 8 8 GLY H H 8 8.285 8.285 8.430 -0.145 19623 659 1 3 . 1 1 9 9 LEU N N 9 123.596 123.596 123.460 0.136 19623 660 1 3 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.125 -0.192 19623 661 1 3 . 1 1 9 9 LEU C C 9 177.458 177.458 178.493 -1.035 19623 662 1 3 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.755 0.493 19623 663 1 3 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.678 0.012 19623 664 1 3 . 1 1 9 9 LEU H H 9 8.136 8.136 8.554 -0.418 19623 665 1 3 . 1 1 10 10 ALA N N 10 121.310 121.310 121.129 0.181 19623 666 1 3 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.940 -0.007 19623 667 1 3 . 1 1 10 10 ALA C C 10 181.140 181.140 179.287 1.853 19623 668 1 3 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.065 0.440 19623 669 1 3 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.710 0.081 19623 670 1 3 . 1 1 10 10 ALA H H 10 8.361 8.361 8.570 -0.209 19623 671 1 3 . 1 1 11 11 GLU N N 11 118.893 118.893 118.758 0.135 19623 672 1 3 . 1 1 11 11 GLU HA H 11 3.992 3.992 3.741 0.251 19623 673 1 3 . 1 1 11 11 GLU C C 11 178.797 178.797 178.789 0.008 19623 674 1 3 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.233 0.659 19623 675 1 3 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.036 -0.045 19623 676 1 3 . 1 1 11 11 GLU H H 11 8.490 8.490 8.547 -0.057 19623 677 1 3 . 1 1 12 12 ALA N N 12 122.362 122.362 122.310 0.052 19623 678 1 3 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.101 -0.021 19623 679 1 3 . 1 1 12 12 ALA C C 12 181.228 181.228 179.540 1.688 19623 680 1 3 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.318 -0.100 19623 681 1 3 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.436 0.026 19623 682 1 3 . 1 1 12 12 ALA H H 12 8.099 8.099 7.988 0.111 19623 683 1 3 . 1 1 13 13 LYS N N 13 118.689 118.689 118.632 0.057 19623 684 1 3 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.976 -0.356 19623 685 1 3 . 1 1 13 13 LYS C C 13 177.203 177.203 178.902 -1.699 19623 686 1 3 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.758 0.632 19623 687 1 3 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.309 1.315 19623 688 1 3 . 1 1 13 13 LYS H H 13 8.382 8.382 8.263 0.119 19623 689 1 3 . 1 1 14 14 GLU N N 14 117.865 117.865 120.134 -2.269 19623 690 1 3 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.081 0.204 19623 691 1 3 . 1 1 14 14 GLU C C 14 179.404 179.404 178.850 0.554 19623 692 1 3 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.455 0.552 19623 693 1 3 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.272 0.146 19623 694 1 3 . 1 1 14 14 GLU H H 14 7.952 7.952 7.969 -0.017 19623 695 1 3 . 1 1 15 15 LYS N N 15 119.020 119.020 119.600 -0.580 19623 696 1 3 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.147 -0.214 19623 697 1 3 . 1 1 15 15 LYS C C 15 177.976 177.976 178.790 -0.814 19623 698 1 3 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.145 0.446 19623 699 1 3 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.442 -0.167 19623 700 1 3 . 1 1 15 15 LYS H H 15 8.029 8.029 7.891 0.138 19623 701 1 3 . 1 1 16 16 ALA N N 16 120.410 120.410 121.873 -1.463 19623 702 1 3 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.141 -0.179 19623 703 1 3 . 1 1 16 16 ALA C C 16 179.140 179.140 180.105 -0.965 19623 704 1 3 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.145 0.281 19623 705 1 3 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.421 -0.011 19623 706 1 3 . 1 1 16 16 ALA H H 16 7.904 7.904 8.105 -0.201 19623 707 1 3 . 1 1 17 17 ILE N N 17 117.363 117.363 118.557 -1.194 19623 708 1 3 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.645 2.205 19623 709 1 3 . 1 1 17 17 ILE C C 17 177.604 177.604 177.823 -0.219 19623 710 1 3 . 1 1 17 17 ILE CA C 17 66.545 66.545 65.008 1.536 19623 711 1 3 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.894 -0.051 19623 712 1 3 . 1 1 17 17 ILE H H 17 8.500 8.500 8.074 0.426 19623 713 1 3 . 1 1 18 18 LYS N N 18 119.838 119.838 120.971 -1.133 19623 714 1 3 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.862 0.003 19623 715 1 3 . 1 1 18 18 LYS C C 18 176.653 176.653 178.814 -2.161 19623 716 1 3 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.333 -0.144 19623 717 1 3 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.190 0.070 19623 718 1 3 . 1 1 18 18 LYS H H 18 7.833 7.833 8.304 -0.471 19623 719 1 3 . 1 1 19 19 ASP N N 19 120.497 120.497 120.000 0.497 19623 720 1 3 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.306 0.263 19623 721 1 3 . 1 1 19 19 ASP C C 19 179.120 179.120 178.938 0.182 19623 722 1 3 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.256 -0.148 19623 723 1 3 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.441 0.412 19623 724 1 3 . 1 1 19 19 ASP H H 19 8.479 8.479 8.133 0.346 19623 725 1 3 . 1 1 20 20 LEU N N 20 121.660 121.660 120.277 1.383 19623 726 1 3 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.093 0.055 19623 727 1 3 . 1 1 20 20 LEU C C 20 178.377 178.377 178.947 -0.570 19623 728 1 3 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.181 0.044 19623 729 1 3 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.681 -0.096 19623 730 1 3 . 1 1 20 20 LEU H H 20 8.136 8.136 7.676 0.460 19623 731 1 3 . 1 1 21 21 LYS N N 21 120.182 120.182 119.607 0.575 19623 732 1 3 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.049 -0.145 19623 733 1 3 . 1 1 21 21 LYS C C 21 179.785 179.785 179.332 0.453 19623 734 1 3 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.299 0.258 19623 735 1 3 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.373 -2.718 19623 736 1 3 . 1 1 21 21 LYS H H 21 8.043 8.043 8.151 -0.108 19623 737 1 3 . 1 1 22 22 ILE N N 22 121.523 121.523 119.342 2.181 19623 738 1 3 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.687 -0.165 19623 739 1 3 . 1 1 22 22 ILE C C 22 177.399 177.399 177.924 -0.525 19623 740 1 3 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.340 0.523 19623 741 1 3 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.853 0.193 19623 742 1 3 . 1 1 22 22 ILE H H 22 8.735 8.735 7.628 1.107 19623 743 1 3 . 1 1 23 23 TYR N N 23 117.506 117.506 117.297 0.209 19623 744 1 3 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.300 0.181 19623 745 1 3 . 1 1 23 23 TYR C C 23 176.020 176.020 176.680 -0.660 19623 746 1 3 . 1 1 23 23 TYR CA C 23 58.369 58.369 59.560 -1.191 19623 747 1 3 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.829 -0.330 19623 748 1 3 . 1 1 23 23 TYR H H 23 7.291 7.291 7.739 -0.448 19623 749 1 3 . 1 1 24 24 GLY N N 24 108.209 108.209 106.522 1.687 19623 750 1 3 . 1 1 24 24 GLY C C 24 174.651 174.651 174.115 0.536 19623 751 1 3 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.707 1.702 19623 752 1 3 . 1 1 24 24 GLY H H 24 7.910 7.910 7.671 0.239 19623 753 1 3 . 1 1 25 25 ILE N N 25 119.897 119.897 121.729 -1.832 19623 754 1 3 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.041 -0.294 19623 755 1 3 . 1 1 25 25 ILE C C 25 175.864 175.864 176.315 -0.451 19623 756 1 3 . 1 1 25 25 ILE CA C 25 60.984 60.984 61.396 -0.412 19623 757 1 3 . 1 1 25 25 ILE CB C 25 37.120 37.120 38.772 -1.652 19623 758 1 3 . 1 1 25 25 ILE H H 25 7.383 7.383 7.887 -0.504 19623 759 1 3 . 1 1 26 26 GLY N N 26 111.580 111.580 114.975 -3.395 19623 760 1 3 . 1 1 26 26 GLY C C 26 174.847 174.847 175.082 -0.235 19623 761 1 3 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.419 0.903 19623 762 1 3 . 1 1 26 26 GLY H H 26 8.811 8.811 8.349 0.462 19623 763 1 3 . 1 1 27 27 GLU N N 27 120.229 120.229 119.644 0.585 19623 764 1 3 . 1 1 27 27 GLU C C 27 177.311 177.311 178.550 -1.239 19623 765 1 3 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.356 0.374 19623 766 1 3 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.671 0.262 19623 767 1 3 . 1 1 27 27 GLU H H 27 8.711 8.711 8.932 -0.221 19623 768 1 3 . 1 1 28 28 HIS N N 28 117.558 117.558 118.433 -0.875 19623 769 1 3 . 1 1 28 28 HIS C C 28 176.949 176.949 176.132 0.817 19623 770 1 3 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.125 0.549 19623 771 1 3 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.361 0.477 19623 772 1 3 . 1 1 28 28 HIS H H 28 8.870 8.870 8.537 0.333 19623 773 1 3 . 1 1 29 29 TYR N N 29 115.589 115.589 115.202 0.387 19623 774 1 3 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.426 -0.336 19623 775 1 3 . 1 1 29 29 TYR C C 29 177.552 177.552 177.811 -0.259 19623 776 1 3 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.216 0.782 19623 777 1 3 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.177 -0.494 19623 778 1 3 . 1 1 29 29 TYR H H 29 7.227 7.227 7.573 -0.346 19623 779 1 3 . 1 1 30 30 ILE N N 30 120.353 120.353 121.866 -1.513 19623 780 1 3 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.562 -0.118 19623 781 1 3 . 1 1 30 30 ILE C C 30 178.211 178.211 177.490 0.721 19623 782 1 3 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.551 0.089 19623 783 1 3 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.602 -0.049 19623 784 1 3 . 1 1 30 30 ILE H H 30 7.485 7.485 7.784 -0.299 19623 785 1 3 . 1 1 31 31 LYS N N 31 117.249 117.249 119.421 -2.172 19623 786 1 3 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.238 -0.227 19623 787 1 3 . 1 1 31 31 LYS C C 31 178.954 178.954 178.999 -0.045 19623 788 1 3 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.142 -0.249 19623 789 1 3 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.115 -0.442 19623 790 1 3 . 1 1 31 31 LYS H H 31 8.064 8.064 7.953 0.111 19623 791 1 3 . 1 1 32 32 LEU N N 32 117.176 117.176 119.706 -2.530 19623 792 1 3 . 1 1 32 32 LEU HA H 32 3.894 3.894 4.000 -0.106 19623 793 1 3 . 1 1 32 32 LEU C C 32 179.883 179.883 179.019 0.864 19623 794 1 3 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.670 0.317 19623 795 1 3 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.640 -0.385 19623 796 1 3 . 1 1 32 32 LEU H H 32 7.154 7.154 7.600 -0.446 19623 797 1 3 . 1 1 33 33 ILE N N 33 118.598 118.598 117.670 0.928 19623 798 1 3 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.739 -0.168 19623 799 1 3 . 1 1 33 33 ILE C C 33 177.917 177.917 178.440 -0.523 19623 800 1 3 . 1 1 33 33 ILE CA C 33 63.579 63.579 64.249 -0.670 19623 801 1 3 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.883 -2.181 19623 802 1 3 . 1 1 33 33 ILE H H 33 7.412 7.412 7.565 -0.153 19623 803 1 3 . 1 1 34 34 GLU N N 34 116.574 116.574 120.489 -3.915 19623 804 1 3 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.024 -0.198 19623 805 1 3 . 1 1 34 34 GLU C C 34 178.661 178.661 178.788 -0.127 19623 806 1 3 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.807 -0.118 19623 807 1 3 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.331 0.524 19623 808 1 3 . 1 1 34 34 GLU H H 34 7.987 7.987 7.940 0.047 19623 809 1 3 . 1 1 35 35 LYS N N 35 114.863 114.863 117.529 -2.666 19623 810 1 3 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.311 -0.104 19623 811 1 3 . 1 1 35 35 LYS C C 35 176.861 176.861 175.831 1.030 19623 812 1 3 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.381 0.947 19623 813 1 3 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.673 0.334 19623 814 1 3 . 1 1 35 35 LYS H H 35 7.361 7.361 7.623 -0.262 19623 815 1 3 . 1 1 36 36 ALA N N 36 124.407 124.407 124.237 0.170 19623 816 1 3 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.282 -0.153 19623 817 1 3 . 1 1 36 36 ALA C C 36 178.279 178.279 177.381 0.898 19623 818 1 3 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.849 0.408 19623 819 1 3 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.651 -0.070 19623 820 1 3 . 1 1 36 36 ALA H H 36 7.365 7.365 7.442 -0.077 19623 821 1 3 . 1 1 37 37 LYS N N 37 116.217 116.217 119.374 -3.157 19623 822 1 3 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.310 0.073 19623 823 1 3 . 1 1 37 37 LYS C C 37 176.167 176.167 175.946 0.221 19623 824 1 3 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.654 -0.052 19623 825 1 3 . 1 1 37 37 LYS CB C 37 34.883 34.883 32.828 2.055 19623 826 1 3 . 1 1 37 37 LYS H H 37 8.908 8.908 8.675 0.233 19623 827 1 3 . 1 1 38 38 GLN N N 38 113.293 113.293 116.002 -2.709 19623 828 1 3 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.469 0.344 19623 829 1 3 . 1 1 38 38 GLN C C 38 176.138 176.138 175.201 0.937 19623 830 1 3 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.576 -0.459 19623 831 1 3 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.110 1.112 19623 832 1 3 . 1 1 38 38 GLN H H 38 7.033 7.033 7.508 -0.475 19623 833 1 3 . 1 1 39 39 VAL N N 39 125.474 125.474 122.012 3.462 19623 834 1 3 . 1 1 39 39 VAL C C 39 177.751 177.751 177.565 0.186 19623 835 1 3 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.022 1.714 19623 836 1 3 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.841 -0.403 19623 837 1 3 . 1 1 39 39 VAL H H 39 9.250 9.250 8.816 0.434 19623 838 1 3 . 1 1 40 40 ALA N N 40 120.717 120.717 122.791 -2.074 19623 839 1 3 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.086 -0.045 19623 840 1 3 . 1 1 40 40 ALA C C 40 179.081 179.081 179.369 -0.288 19623 841 1 3 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.216 -0.157 19623 842 1 3 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.968 -0.233 19623 843 1 3 . 1 1 40 40 ALA H H 40 8.903 8.903 8.421 0.482 19623 844 1 3 . 1 1 41 41 ALA N N 41 116.698 116.698 121.084 -4.386 19623 845 1 3 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.047 0.189 19623 846 1 3 . 1 1 41 41 ALA C C 41 180.294 180.294 179.733 0.561 19623 847 1 3 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.608 0.079 19623 848 1 3 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.189 0.535 19623 849 1 3 . 1 1 41 41 ALA H H 41 6.701 6.701 7.466 -0.765 19623 850 1 3 . 1 1 42 42 VAL N N 42 119.051 119.051 119.002 0.049 19623 851 1 3 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.475 -0.197 19623 852 1 3 . 1 1 42 42 VAL C C 42 176.812 176.812 178.397 -1.585 19623 853 1 3 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.079 0.562 19623 854 1 3 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.647 -0.248 19623 855 1 3 . 1 1 42 42 VAL H H 42 7.552 7.552 7.992 -0.440 19623 856 1 3 . 1 1 43 43 GLU N N 43 117.715 117.715 119.794 -2.079 19623 857 1 3 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.006 -0.151 19623 858 1 3 . 1 1 43 43 GLU C C 43 178.973 178.973 178.903 0.070 19623 859 1 3 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.934 -0.541 19623 860 1 3 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.506 -0.695 19623 861 1 3 . 1 1 43 43 GLU H H 43 7.804 7.804 8.421 -0.617 19623 862 1 3 . 1 1 44 44 ASP N N 44 119.175 119.175 120.642 -1.467 19623 863 1 3 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.453 -0.090 19623 864 1 3 . 1 1 44 44 ASP C C 44 178.211 178.211 178.915 -0.704 19623 865 1 3 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.235 0.073 19623 866 1 3 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.575 -0.071 19623 867 1 3 . 1 1 44 44 ASP H H 44 8.169 8.169 8.083 0.086 19623 868 1 3 . 1 1 45 45 LEU N N 45 117.848 117.848 120.301 -2.453 19623 869 1 3 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.967 0.152 19623 870 1 3 . 1 1 45 45 LEU C C 45 178.416 178.416 178.620 -0.204 19623 871 1 3 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.791 -0.497 19623 872 1 3 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.812 -1.338 19623 873 1 3 . 1 1 45 45 LEU H H 45 8.119 8.119 8.403 -0.284 19623 874 1 3 . 1 1 46 46 LYS N N 46 119.462 119.462 120.150 -0.688 19623 875 1 3 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.824 0.148 19623 876 1 3 . 1 1 46 46 LYS C C 46 177.653 177.653 178.639 -0.986 19623 877 1 3 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.132 0.144 19623 878 1 3 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.142 -0.692 19623 879 1 3 . 1 1 46 46 LYS H H 46 8.483 8.483 8.096 0.387 19623 880 1 3 . 1 1 47 47 ASP N N 47 117.470 117.470 119.258 -1.788 19623 881 1 3 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.403 -0.059 19623 882 1 3 . 1 1 47 47 ASP C C 47 179.384 179.384 178.976 0.408 19623 883 1 3 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.348 0.339 19623 884 1 3 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.288 0.521 19623 885 1 3 . 1 1 47 47 ASP H H 47 7.846 7.846 8.025 -0.179 19623 886 1 3 . 1 1 48 48 GLU N N 48 119.662 119.662 119.955 -0.293 19623 887 1 3 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.105 -0.094 19623 888 1 3 . 1 1 48 48 GLU C C 48 180.724 180.724 179.380 1.344 19623 889 1 3 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.802 1.289 19623 890 1 3 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.451 2.539 19623 891 1 3 . 1 1 48 48 GLU H H 48 8.327 8.327 7.897 0.430 19623 892 1 3 . 1 1 49 49 ILE N N 49 120.308 120.308 120.584 -0.276 19623 893 1 3 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.620 0.118 19623 894 1 3 . 1 1 49 49 ILE C C 49 179.238 179.238 178.028 1.210 19623 895 1 3 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.118 -0.526 19623 896 1 3 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.896 0.063 19623 897 1 3 . 1 1 49 49 ILE H H 49 7.667 7.667 8.536 -0.869 19623 898 1 3 . 1 1 50 50 LEU N N 50 121.274 121.274 121.017 0.257 19623 899 1 3 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.917 0.642 19623 900 1 3 . 1 1 50 50 LEU C C 50 179.971 179.971 177.997 1.974 19623 901 1 3 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.907 -0.113 19623 902 1 3 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.272 -0.416 19623 903 1 3 . 1 1 50 50 LEU H H 50 8.474 8.474 7.900 0.574 19623 904 1 3 . 1 1 51 51 LYS N N 51 119.972 119.972 119.417 0.555 19623 905 1 3 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.854 0.128 19623 906 1 3 . 1 1 51 51 LYS C C 51 179.189 179.189 178.935 0.254 19623 907 1 3 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.947 -0.421 19623 908 1 3 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.063 0.112 19623 909 1 3 . 1 1 51 51 LYS H H 51 8.197 8.197 8.198 -0.001 19623 910 1 3 . 1 1 52 52 ALA N N 52 121.059 121.059 120.691 0.368 19623 911 1 3 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.092 0.066 19623 912 1 3 . 1 1 52 52 ALA C C 52 178.015 178.015 178.908 -0.893 19623 913 1 3 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.424 -0.762 19623 914 1 3 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.277 -0.374 19623 915 1 3 . 1 1 52 52 ALA H H 52 7.809 7.809 7.718 0.091 19623 916 1 3 . 1 1 53 53 HIS N N 53 115.943 115.943 117.572 -1.629 19623 917 1 3 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.192 0.181 19623 918 1 3 . 1 1 53 53 HIS C C 53 174.015 174.015 176.584 -2.569 19623 919 1 3 . 1 1 53 53 HIS CA C 53 57.409 57.409 59.020 -1.611 19623 920 1 3 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.044 -1.034 19623 921 1 3 . 1 1 53 53 HIS H H 53 7.598 7.598 7.908 -0.310 19623 922 1 3 . 1 1 54 54 ASP N N 54 119.133 119.133 118.017 1.116 19623 923 1 3 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.412 0.030 19623 924 1 3 . 1 1 54 54 ASP C C 54 175.609 175.609 176.695 -1.086 19623 925 1 3 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.791 -0.820 19623 926 1 3 . 1 1 54 54 ASP CB C 54 40.209 40.209 41.080 -0.871 19623 927 1 3 . 1 1 54 54 ASP H H 54 7.974 7.974 8.083 -0.109 19623 928 1 3 . 1 1 55 55 ARG N N 55 118.206 118.206 120.832 -2.626 19623 929 1 3 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.186 0.138 19623 930 1 3 . 1 1 55 55 ARG C C 55 174.671 174.671 175.752 -1.081 19623 931 1 3 . 1 1 55 55 ARG CA C 55 54.785 54.785 56.351 -1.566 19623 932 1 3 . 1 1 55 55 ARG CB C 55 30.507 30.507 30.845 -0.338 19623 933 1 3 . 1 1 55 55 ARG H H 55 7.943 7.943 7.622 0.321 19623 934 1 4 . 1 1 2 2 GLY N N 2 113.169 113.169 107.166 6.003 19623 935 1 4 . 1 1 2 2 GLY C C 2 173.996 173.996 173.561 0.435 19623 936 1 4 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.322 -0.111 19623 937 1 4 . 1 1 2 2 GLY H H 2 8.533 8.533 8.438 0.095 19623 938 1 4 . 1 1 3 3 ASP N N 3 120.717 120.717 120.240 0.477 19623 939 1 4 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.533 0.026 19623 940 1 4 . 1 1 3 3 ASP C C 3 176.675 176.675 175.865 0.810 19623 941 1 4 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.627 0.862 19623 942 1 4 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.113 0.084 19623 943 1 4 . 1 1 3 3 ASP H H 3 8.412 8.412 8.276 0.136 19623 944 1 4 . 1 1 4 4 LYS N N 4 121.955 121.955 127.435 -5.480 19623 945 1 4 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.117 0.129 19623 946 1 4 . 1 1 4 4 LYS C C 4 177.301 177.301 177.378 -0.077 19623 947 1 4 . 1 1 4 4 LYS CA C 4 56.606 56.606 58.225 -1.619 19623 948 1 4 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.746 -0.310 19623 949 1 4 . 1 1 4 4 LYS H H 4 8.490 8.490 8.495 -0.005 19623 950 1 4 . 1 1 5 5 GLY N N 5 109.376 109.376 113.119 -3.743 19623 951 1 4 . 1 1 5 5 GLY C C 5 174.045 174.045 173.889 0.156 19623 952 1 4 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.564 0.741 19623 953 1 4 . 1 1 5 5 GLY H H 5 8.491 8.491 8.760 -0.269 19623 954 1 4 . 1 1 6 6 TYR N N 6 120.416 120.416 120.747 -0.331 19623 955 1 4 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.640 -0.130 19623 956 1 4 . 1 1 6 6 TYR C C 6 175.952 175.952 175.729 0.223 19623 957 1 4 . 1 1 6 6 TYR CA C 6 58.383 58.383 57.282 1.101 19623 958 1 4 . 1 1 6 6 TYR CB C 6 38.562 38.562 39.549 -0.987 19623 959 1 4 . 1 1 6 6 TYR H H 6 8.134 8.134 7.856 0.278 19623 960 1 4 . 1 1 7 7 ASN N N 7 122.415 122.415 121.963 0.452 19623 961 1 4 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.814 -0.226 19623 962 1 4 . 1 1 7 7 ASN C C 7 175.521 175.521 176.729 -1.208 19623 963 1 4 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.507 -0.099 19623 964 1 4 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.641 0.139 19623 965 1 4 . 1 1 7 7 ASN H H 7 8.557 8.557 8.903 -0.346 19623 966 1 4 . 1 1 8 8 GLY N N 8 109.431 109.431 110.368 -0.937 19623 967 1 4 . 1 1 8 8 GLY C C 8 175.609 175.609 175.939 -0.330 19623 968 1 4 . 1 1 8 8 GLY CA C 8 45.990 45.990 46.684 -0.694 19623 969 1 4 . 1 1 8 8 GLY H H 8 8.285 8.285 8.639 -0.354 19623 970 1 4 . 1 1 9 9 LEU N N 9 123.596 123.596 122.485 1.111 19623 971 1 4 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.107 -0.174 19623 972 1 4 . 1 1 9 9 LEU C C 9 177.458 177.458 178.149 -0.691 19623 973 1 4 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.505 0.743 19623 974 1 4 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.550 0.140 19623 975 1 4 . 1 1 9 9 LEU H H 9 8.136 8.136 7.777 0.359 19623 976 1 4 . 1 1 10 10 ALA N N 10 121.310 121.310 120.766 0.544 19623 977 1 4 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.919 0.014 19623 978 1 4 . 1 1 10 10 ALA C C 10 181.140 181.140 179.989 1.151 19623 979 1 4 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.234 0.271 19623 980 1 4 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.070 -0.279 19623 981 1 4 . 1 1 10 10 ALA H H 10 8.361 8.361 8.335 0.026 19623 982 1 4 . 1 1 11 11 GLU N N 11 118.893 118.893 119.198 -0.305 19623 983 1 4 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.055 -0.063 19623 984 1 4 . 1 1 11 11 GLU C C 11 178.797 178.797 179.061 -0.264 19623 985 1 4 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.133 0.759 19623 986 1 4 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.736 -0.745 19623 987 1 4 . 1 1 11 11 GLU H H 11 8.490 8.490 8.222 0.268 19623 988 1 4 . 1 1 12 12 ALA N N 12 122.362 122.362 122.475 -0.113 19623 989 1 4 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.048 0.032 19623 990 1 4 . 1 1 12 12 ALA C C 12 181.228 181.228 179.651 1.577 19623 991 1 4 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.248 -0.030 19623 992 1 4 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.234 0.228 19623 993 1 4 . 1 1 12 12 ALA H H 12 8.099 8.099 8.196 -0.097 19623 994 1 4 . 1 1 13 13 LYS N N 13 118.689 118.689 118.788 -0.099 19623 995 1 4 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.981 -0.361 19623 996 1 4 . 1 1 13 13 LYS C C 13 177.203 177.203 179.040 -1.837 19623 997 1 4 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.995 0.395 19623 998 1 4 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.411 1.213 19623 999 1 4 . 1 1 13 13 LYS H H 13 8.382 8.382 8.244 0.138 19623 1000 1 4 . 1 1 14 14 GLU N N 14 117.865 117.865 119.638 -1.773 19623 1001 1 4 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.043 0.242 19623 1002 1 4 . 1 1 14 14 GLU C C 14 179.404 179.404 179.138 0.266 19623 1003 1 4 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.570 0.437 19623 1004 1 4 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.418 0.000 19623 1005 1 4 . 1 1 14 14 GLU H H 14 7.952 7.952 8.023 -0.071 19623 1006 1 4 . 1 1 15 15 LYS N N 15 119.020 119.020 119.612 -0.592 19623 1007 1 4 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.078 -0.145 19623 1008 1 4 . 1 1 15 15 LYS C C 15 177.976 177.976 178.808 -0.832 19623 1009 1 4 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.650 -0.059 19623 1010 1 4 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.398 -0.123 19623 1011 1 4 . 1 1 15 15 LYS H H 15 8.029 8.029 8.122 -0.093 19623 1012 1 4 . 1 1 16 16 ALA N N 16 120.410 120.410 123.020 -2.610 19623 1013 1 4 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.196 -0.234 19623 1014 1 4 . 1 1 16 16 ALA C C 16 179.140 179.140 179.715 -0.575 19623 1015 1 4 . 1 1 16 16 ALA CA C 16 55.426 55.426 54.900 0.526 19623 1016 1 4 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.469 -0.059 19623 1017 1 4 . 1 1 16 16 ALA H H 16 7.904 7.904 7.864 0.040 19623 1018 1 4 . 1 1 17 17 ILE N N 17 117.363 117.363 119.238 -1.875 19623 1019 1 4 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.557 2.293 19623 1020 1 4 . 1 1 17 17 ILE C C 17 177.604 177.604 177.847 -0.243 19623 1021 1 4 . 1 1 17 17 ILE CA C 17 66.545 66.545 65.582 0.964 19623 1022 1 4 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.781 0.062 19623 1023 1 4 . 1 1 17 17 ILE H H 17 8.500 8.500 8.442 0.058 19623 1024 1 4 . 1 1 18 18 LYS N N 18 119.838 119.838 120.303 -0.465 19623 1025 1 4 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.843 0.022 19623 1026 1 4 . 1 1 18 18 LYS C C 18 176.653 176.653 178.750 -2.097 19623 1027 1 4 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.202 -0.013 19623 1028 1 4 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.189 0.071 19623 1029 1 4 . 1 1 18 18 LYS H H 18 7.833 7.833 8.092 -0.259 19623 1030 1 4 . 1 1 19 19 ASP N N 19 120.497 120.497 120.289 0.208 19623 1031 1 4 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.235 0.334 19623 1032 1 4 . 1 1 19 19 ASP C C 19 179.120 179.120 178.923 0.197 19623 1033 1 4 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.254 -0.146 19623 1034 1 4 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.453 0.400 19623 1035 1 4 . 1 1 19 19 ASP H H 19 8.479 8.479 8.085 0.394 19623 1036 1 4 . 1 1 20 20 LEU N N 20 121.660 121.660 120.089 1.571 19623 1037 1 4 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.139 0.009 19623 1038 1 4 . 1 1 20 20 LEU C C 20 178.377 178.377 178.966 -0.589 19623 1039 1 4 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.362 -0.138 19623 1040 1 4 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.706 -0.121 19623 1041 1 4 . 1 1 20 20 LEU H H 20 8.136 8.136 8.473 -0.337 19623 1042 1 4 . 1 1 21 21 LYS N N 21 120.182 120.182 119.455 0.727 19623 1043 1 4 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.094 -0.190 19623 1044 1 4 . 1 1 21 21 LYS C C 21 179.785 179.785 179.401 0.384 19623 1045 1 4 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.276 0.281 19623 1046 1 4 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.441 -2.786 19623 1047 1 4 . 1 1 21 21 LYS H H 21 8.043 8.043 7.790 0.253 19623 1048 1 4 . 1 1 22 22 ILE N N 22 121.523 121.523 119.805 1.718 19623 1049 1 4 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.708 -0.186 19623 1050 1 4 . 1 1 22 22 ILE C C 22 177.399 177.399 177.614 -0.215 19623 1051 1 4 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.502 0.361 19623 1052 1 4 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.950 0.096 19623 1053 1 4 . 1 1 22 22 ILE H H 22 8.735 8.735 7.919 0.816 19623 1054 1 4 . 1 1 23 23 TYR N N 23 117.506 117.506 116.831 0.675 19623 1055 1 4 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.346 0.135 19623 1056 1 4 . 1 1 23 23 TYR C C 23 176.020 176.020 176.675 -0.655 19623 1057 1 4 . 1 1 23 23 TYR CA C 23 58.369 58.369 59.638 -1.269 19623 1058 1 4 . 1 1 23 23 TYR CB C 23 38.499 38.499 39.018 -0.519 19623 1059 1 4 . 1 1 23 23 TYR H H 23 7.291 7.291 7.847 -0.556 19623 1060 1 4 . 1 1 24 24 GLY N N 24 108.209 108.209 105.749 2.460 19623 1061 1 4 . 1 1 24 24 GLY C C 24 174.651 174.651 174.401 0.250 19623 1062 1 4 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.704 1.705 19623 1063 1 4 . 1 1 24 24 GLY H H 24 7.910 7.910 7.695 0.215 19623 1064 1 4 . 1 1 25 25 ILE N N 25 119.897 119.897 121.605 -1.708 19623 1065 1 4 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.038 -0.291 19623 1066 1 4 . 1 1 25 25 ILE C C 25 175.864 175.864 175.972 -0.108 19623 1067 1 4 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.802 0.182 19623 1068 1 4 . 1 1 25 25 ILE CB C 25 37.120 37.120 39.238 -2.118 19623 1069 1 4 . 1 1 25 25 ILE H H 25 7.383 7.383 8.142 -0.759 19623 1070 1 4 . 1 1 26 26 GLY N N 26 111.580 111.580 113.603 -2.023 19623 1071 1 4 . 1 1 26 26 GLY C C 26 174.847 174.847 175.189 -0.342 19623 1072 1 4 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.671 0.651 19623 1073 1 4 . 1 1 26 26 GLY H H 26 8.811 8.811 8.327 0.484 19623 1074 1 4 . 1 1 27 27 GLU N N 27 120.229 120.229 121.005 -0.776 19623 1075 1 4 . 1 1 27 27 GLU C C 27 177.311 177.311 178.693 -1.382 19623 1076 1 4 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.496 0.234 19623 1077 1 4 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.735 0.198 19623 1078 1 4 . 1 1 27 27 GLU H H 27 8.711 8.711 8.975 -0.264 19623 1079 1 4 . 1 1 28 28 HIS N N 28 117.558 117.558 118.595 -1.037 19623 1080 1 4 . 1 1 28 28 HIS C C 28 176.949 176.949 176.241 0.708 19623 1081 1 4 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.251 0.423 19623 1082 1 4 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.451 0.387 19623 1083 1 4 . 1 1 28 28 HIS H H 28 8.870 8.870 8.609 0.261 19623 1084 1 4 . 1 1 29 29 TYR N N 29 115.589 115.589 114.952 0.637 19623 1085 1 4 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.450 -0.360 19623 1086 1 4 . 1 1 29 29 TYR C C 29 177.552 177.552 177.291 0.261 19623 1087 1 4 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.161 0.837 19623 1088 1 4 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.242 -0.559 19623 1089 1 4 . 1 1 29 29 TYR H H 29 7.227 7.227 7.701 -0.474 19623 1090 1 4 . 1 1 30 30 ILE N N 30 120.353 120.353 120.979 -0.626 19623 1091 1 4 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.648 -0.204 19623 1092 1 4 . 1 1 30 30 ILE C C 30 178.211 178.211 178.160 0.051 19623 1093 1 4 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.246 0.394 19623 1094 1 4 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.846 -0.293 19623 1095 1 4 . 1 1 30 30 ILE H H 30 7.485 7.485 7.770 -0.285 19623 1096 1 4 . 1 1 31 31 LYS N N 31 117.249 117.249 119.354 -2.105 19623 1097 1 4 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.048 -0.037 19623 1098 1 4 . 1 1 31 31 LYS C C 31 178.954 178.954 178.502 0.452 19623 1099 1 4 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.005 -0.112 19623 1100 1 4 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.011 -0.338 19623 1101 1 4 . 1 1 31 31 LYS H H 31 8.064 8.064 8.251 -0.187 19623 1102 1 4 . 1 1 32 32 LEU N N 32 117.176 117.176 119.462 -2.286 19623 1103 1 4 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.968 -0.074 19623 1104 1 4 . 1 1 32 32 LEU C C 32 179.883 179.883 178.365 1.518 19623 1105 1 4 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.220 0.767 19623 1106 1 4 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.684 -0.429 19623 1107 1 4 . 1 1 32 32 LEU H H 32 7.154 7.154 7.244 -0.090 19623 1108 1 4 . 1 1 33 33 ILE N N 33 118.598 118.598 117.689 0.909 19623 1109 1 4 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.757 -0.186 19623 1110 1 4 . 1 1 33 33 ILE C C 33 177.917 177.917 178.695 -0.778 19623 1111 1 4 . 1 1 33 33 ILE CA C 33 63.579 63.579 63.678 -0.099 19623 1112 1 4 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.081 -1.379 19623 1113 1 4 . 1 1 33 33 ILE H H 33 7.412 7.412 7.561 -0.149 19623 1114 1 4 . 1 1 34 34 GLU N N 34 116.574 116.574 118.811 -2.237 19623 1115 1 4 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.029 -0.203 19623 1116 1 4 . 1 1 34 34 GLU C C 34 178.661 178.661 178.374 0.287 19623 1117 1 4 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.557 0.132 19623 1118 1 4 . 1 1 34 34 GLU CB C 34 29.855 29.855 28.937 0.918 19623 1119 1 4 . 1 1 34 34 GLU H H 34 7.987 7.987 8.194 -0.207 19623 1120 1 4 . 1 1 35 35 LYS N N 35 114.863 114.863 118.471 -3.608 19623 1121 1 4 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.216 -0.009 19623 1122 1 4 . 1 1 35 35 LYS C C 35 176.861 176.861 176.175 0.686 19623 1123 1 4 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.989 0.339 19623 1124 1 4 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.520 0.487 19623 1125 1 4 . 1 1 35 35 LYS H H 35 7.361 7.361 7.311 0.050 19623 1126 1 4 . 1 1 36 36 ALA N N 36 124.407 124.407 124.080 0.327 19623 1127 1 4 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.272 -0.143 19623 1128 1 4 . 1 1 36 36 ALA C C 36 178.279 178.279 177.293 0.986 19623 1129 1 4 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.910 0.347 19623 1130 1 4 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.668 -0.087 19623 1131 1 4 . 1 1 36 36 ALA H H 36 7.365 7.365 7.416 -0.051 19623 1132 1 4 . 1 1 37 37 LYS N N 37 116.217 116.217 118.832 -2.615 19623 1133 1 4 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.350 0.033 19623 1134 1 4 . 1 1 37 37 LYS C C 37 176.167 176.167 176.207 -0.040 19623 1135 1 4 . 1 1 37 37 LYS CA C 37 56.602 56.602 57.025 -0.423 19623 1136 1 4 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.533 1.350 19623 1137 1 4 . 1 1 37 37 LYS H H 37 8.908 8.908 8.689 0.219 19623 1138 1 4 . 1 1 38 38 GLN N N 38 113.293 113.293 117.460 -4.167 19623 1139 1 4 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.582 0.231 19623 1140 1 4 . 1 1 38 38 GLN C C 38 176.138 176.138 176.132 0.006 19623 1141 1 4 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.215 -0.097 19623 1142 1 4 . 1 1 38 38 GLN CB C 38 32.222 32.222 32.147 0.075 19623 1143 1 4 . 1 1 38 38 GLN H H 38 7.033 7.033 7.911 -0.878 19623 1144 1 4 . 1 1 39 39 VAL N N 39 125.474 125.474 123.336 2.138 19623 1145 1 4 . 1 1 39 39 VAL C C 39 177.751 177.751 177.546 0.205 19623 1146 1 4 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.556 1.181 19623 1147 1 4 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.725 -0.287 19623 1148 1 4 . 1 1 39 39 VAL H H 39 9.250 9.250 8.925 0.325 19623 1149 1 4 . 1 1 40 40 ALA N N 40 120.717 120.717 122.565 -1.848 19623 1150 1 4 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.139 -0.098 19623 1151 1 4 . 1 1 40 40 ALA C C 40 179.081 179.081 179.491 -0.410 19623 1152 1 4 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.223 -0.164 19623 1153 1 4 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.701 0.034 19623 1154 1 4 . 1 1 40 40 ALA H H 40 8.903 8.903 8.401 0.502 19623 1155 1 4 . 1 1 41 41 ALA N N 41 116.698 116.698 121.423 -4.725 19623 1156 1 4 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.081 0.155 19623 1157 1 4 . 1 1 41 41 ALA C C 41 180.294 180.294 180.036 0.258 19623 1158 1 4 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.711 -0.023 19623 1159 1 4 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.307 0.417 19623 1160 1 4 . 1 1 41 41 ALA H H 41 6.701 6.701 8.222 -1.521 19623 1161 1 4 . 1 1 42 42 VAL N N 42 119.051 119.051 118.881 0.170 19623 1162 1 4 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.484 -0.206 19623 1163 1 4 . 1 1 42 42 VAL C C 42 176.812 176.812 178.305 -1.493 19623 1164 1 4 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.076 0.565 19623 1165 1 4 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.632 -0.233 19623 1166 1 4 . 1 1 42 42 VAL H H 42 7.552 7.552 8.015 -0.463 19623 1167 1 4 . 1 1 43 43 GLU N N 43 117.715 117.715 119.724 -2.009 19623 1168 1 4 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.006 -0.151 19623 1169 1 4 . 1 1 43 43 GLU C C 43 178.973 178.973 178.923 0.050 19623 1170 1 4 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.914 -0.521 19623 1171 1 4 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.427 -0.615 19623 1172 1 4 . 1 1 43 43 GLU H H 43 7.804 7.804 8.217 -0.413 19623 1173 1 4 . 1 1 44 44 ASP N N 44 119.175 119.175 120.579 -1.404 19623 1174 1 4 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.474 -0.111 19623 1175 1 4 . 1 1 44 44 ASP C C 44 178.211 178.211 178.885 -0.674 19623 1176 1 4 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.184 0.124 19623 1177 1 4 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.543 -0.039 19623 1178 1 4 . 1 1 44 44 ASP H H 44 8.169 8.169 8.284 -0.115 19623 1179 1 4 . 1 1 45 45 LEU N N 45 117.848 117.848 120.501 -2.653 19623 1180 1 4 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.968 0.151 19623 1181 1 4 . 1 1 45 45 LEU C C 45 178.416 178.416 178.650 -0.234 19623 1182 1 4 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.907 -0.613 19623 1183 1 4 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.834 -1.359 19623 1184 1 4 . 1 1 45 45 LEU H H 45 8.119 8.119 8.476 -0.357 19623 1185 1 4 . 1 1 46 46 LYS N N 46 119.462 119.462 120.145 -0.683 19623 1186 1 4 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.892 0.080 19623 1187 1 4 . 1 1 46 46 LYS C C 46 177.653 177.653 178.622 -0.969 19623 1188 1 4 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.170 0.106 19623 1189 1 4 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.193 -0.743 19623 1190 1 4 . 1 1 46 46 LYS H H 46 8.483 8.483 8.095 0.388 19623 1191 1 4 . 1 1 47 47 ASP N N 47 117.470 117.470 119.348 -1.878 19623 1192 1 4 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.476 -0.132 19623 1193 1 4 . 1 1 47 47 ASP C C 47 179.384 179.384 179.087 0.297 19623 1194 1 4 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.345 0.342 19623 1195 1 4 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.324 0.485 19623 1196 1 4 . 1 1 47 47 ASP H H 47 7.846 7.846 8.070 -0.224 19623 1197 1 4 . 1 1 48 48 GLU N N 48 119.662 119.662 120.118 -0.456 19623 1198 1 4 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.149 -0.138 19623 1199 1 4 . 1 1 48 48 GLU C C 48 180.724 180.724 179.375 1.349 19623 1200 1 4 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.875 1.216 19623 1201 1 4 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.633 2.358 19623 1202 1 4 . 1 1 48 48 GLU H H 48 8.327 8.327 8.264 0.063 19623 1203 1 4 . 1 1 49 49 ILE N N 49 120.308 120.308 120.629 -0.321 19623 1204 1 4 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.708 0.030 19623 1205 1 4 . 1 1 49 49 ILE C C 49 179.238 179.238 178.141 1.097 19623 1206 1 4 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.067 -0.475 19623 1207 1 4 . 1 1 49 49 ILE CB C 49 37.959 37.959 38.097 -0.138 19623 1208 1 4 . 1 1 49 49 ILE H H 49 7.667 7.667 8.422 -0.755 19623 1209 1 4 . 1 1 50 50 LEU N N 50 121.274 121.274 120.997 0.277 19623 1210 1 4 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.914 0.645 19623 1211 1 4 . 1 1 50 50 LEU C C 50 179.971 179.971 177.870 2.101 19623 1212 1 4 . 1 1 50 50 LEU CA C 50 57.794 57.794 58.292 -0.498 19623 1213 1 4 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.474 -0.618 19623 1214 1 4 . 1 1 50 50 LEU H H 50 8.474 8.474 8.177 0.297 19623 1215 1 4 . 1 1 51 51 LYS N N 51 119.972 119.972 119.441 0.531 19623 1216 1 4 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.926 0.056 19623 1217 1 4 . 1 1 51 51 LYS C C 51 179.189 179.189 179.225 -0.036 19623 1218 1 4 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.357 0.169 19623 1219 1 4 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.238 -0.063 19623 1220 1 4 . 1 1 51 51 LYS H H 51 8.197 8.197 8.127 0.070 19623 1221 1 4 . 1 1 52 52 ALA N N 52 121.059 121.059 121.697 -0.638 19623 1222 1 4 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.001 0.157 19623 1223 1 4 . 1 1 52 52 ALA C C 52 178.015 178.015 178.855 -0.840 19623 1224 1 4 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.382 -0.720 19623 1225 1 4 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.337 -0.434 19623 1226 1 4 . 1 1 52 52 ALA H H 52 7.809 7.809 7.903 -0.094 19623 1227 1 4 . 1 1 53 53 HIS N N 53 115.943 115.943 112.568 3.375 19623 1228 1 4 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.594 -0.221 19623 1229 1 4 . 1 1 53 53 HIS C C 53 174.015 174.015 174.191 -0.176 19623 1230 1 4 . 1 1 53 53 HIS CA C 53 57.409 57.409 56.895 0.514 19623 1231 1 4 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.417 -1.407 19623 1232 1 4 . 1 1 53 53 HIS H H 53 7.598 7.598 7.460 0.138 19623 1233 1 4 . 1 1 54 54 ASP N N 54 119.133 119.133 118.169 0.964 19623 1234 1 4 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.395 0.047 19623 1235 1 4 . 1 1 54 54 ASP C C 54 175.609 175.609 176.044 -0.435 19623 1236 1 4 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.621 -0.650 19623 1237 1 4 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.130 1.079 19623 1238 1 4 . 1 1 54 54 ASP H H 54 7.974 7.974 8.014 -0.040 19623 1239 1 4 . 1 1 55 55 ARG N N 55 118.206 118.206 117.329 0.877 19623 1240 1 4 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.451 -0.127 19623 1241 1 4 . 1 1 55 55 ARG C C 55 174.671 174.671 175.238 -0.567 19623 1242 1 4 . 1 1 55 55 ARG CA C 55 54.785 54.785 54.915 -0.130 19623 1243 1 4 . 1 1 55 55 ARG CB C 55 30.507 30.507 30.262 0.245 19623 1244 1 4 . 1 1 55 55 ARG H H 55 7.943 7.943 7.730 0.213 19623 1245 1 5 . 1 1 2 2 GLY N N 2 113.169 113.169 108.230 4.939 19623 1246 1 5 . 1 1 2 2 GLY C C 2 173.996 173.996 173.769 0.227 19623 1247 1 5 . 1 1 2 2 GLY CA C 2 45.211 45.211 44.821 0.390 19623 1248 1 5 . 1 1 2 2 GLY H H 2 8.533 8.533 8.480 0.053 19623 1249 1 5 . 1 1 3 3 ASP N N 3 120.717 120.717 121.284 -0.567 19623 1250 1 5 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.693 -0.134 19623 1251 1 5 . 1 1 3 3 ASP C C 3 176.675 176.675 176.368 0.307 19623 1252 1 5 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.767 0.722 19623 1253 1 5 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.536 -0.339 19623 1254 1 5 . 1 1 3 3 ASP H H 3 8.412 8.412 8.180 0.232 19623 1255 1 5 . 1 1 4 4 LYS N N 4 121.955 121.955 121.975 -0.020 19623 1256 1 5 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.160 0.086 19623 1257 1 5 . 1 1 4 4 LYS C C 4 177.301 177.301 177.677 -0.376 19623 1258 1 5 . 1 1 4 4 LYS CA C 4 56.606 56.606 56.496 0.110 19623 1259 1 5 . 1 1 4 4 LYS CB C 4 32.436 32.436 33.018 -0.582 19623 1260 1 5 . 1 1 4 4 LYS H H 4 8.490 8.490 8.373 0.117 19623 1261 1 5 . 1 1 5 5 GLY N N 5 109.376 109.376 110.707 -1.331 19623 1262 1 5 . 1 1 5 5 GLY C C 5 174.045 174.045 173.648 0.397 19623 1263 1 5 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.701 0.604 19623 1264 1 5 . 1 1 5 5 GLY H H 5 8.491 8.491 8.446 0.045 19623 1265 1 5 . 1 1 6 6 TYR N N 6 120.416 120.416 123.407 -2.991 19623 1266 1 5 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.557 -0.047 19623 1267 1 5 . 1 1 6 6 TYR C C 6 175.952 175.952 176.291 -0.339 19623 1268 1 5 . 1 1 6 6 TYR CA C 6 58.383 58.383 57.557 0.826 19623 1269 1 5 . 1 1 6 6 TYR CB C 6 38.562 38.562 39.295 -0.733 19623 1270 1 5 . 1 1 6 6 TYR H H 6 8.134 8.134 8.603 -0.469 19623 1271 1 5 . 1 1 7 7 ASN N N 7 122.415 122.415 119.842 2.573 19623 1272 1 5 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.812 -0.224 19623 1273 1 5 . 1 1 7 7 ASN C C 7 175.521 175.521 176.905 -1.384 19623 1274 1 5 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.648 -0.240 19623 1275 1 5 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.829 -0.049 19623 1276 1 5 . 1 1 7 7 ASN H H 7 8.557 8.557 8.849 -0.292 19623 1277 1 5 . 1 1 8 8 GLY N N 8 109.431 109.431 109.645 -0.214 19623 1278 1 5 . 1 1 8 8 GLY C C 8 175.609 175.609 176.294 -0.685 19623 1279 1 5 . 1 1 8 8 GLY CA C 8 45.990 45.990 46.927 -0.937 19623 1280 1 5 . 1 1 8 8 GLY H H 8 8.285 8.285 8.711 -0.426 19623 1281 1 5 . 1 1 9 9 LEU N N 9 123.596 123.596 122.586 1.010 19623 1282 1 5 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.119 -0.186 19623 1283 1 5 . 1 1 9 9 LEU C C 9 177.458 177.458 178.102 -0.644 19623 1284 1 5 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.500 0.748 19623 1285 1 5 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.590 0.100 19623 1286 1 5 . 1 1 9 9 LEU H H 9 8.136 8.136 7.580 0.556 19623 1287 1 5 . 1 1 10 10 ALA N N 10 121.310 121.310 120.554 0.756 19623 1288 1 5 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.986 -0.053 19623 1289 1 5 . 1 1 10 10 ALA C C 10 181.140 181.140 179.834 1.306 19623 1290 1 5 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.018 0.487 19623 1291 1 5 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.238 -0.447 19623 1292 1 5 . 1 1 10 10 ALA H H 10 8.361 8.361 8.310 0.051 19623 1293 1 5 . 1 1 11 11 GLU N N 11 118.893 118.893 119.424 -0.531 19623 1294 1 5 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.071 -0.079 19623 1295 1 5 . 1 1 11 11 GLU C C 11 178.797 178.797 179.030 -0.233 19623 1296 1 5 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.180 0.712 19623 1297 1 5 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.717 -0.726 19623 1298 1 5 . 1 1 11 11 GLU H H 11 8.490 8.490 8.197 0.293 19623 1299 1 5 . 1 1 12 12 ALA N N 12 122.362 122.362 122.606 -0.244 19623 1300 1 5 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.070 0.010 19623 1301 1 5 . 1 1 12 12 ALA C C 12 181.228 181.228 179.656 1.572 19623 1302 1 5 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.199 0.019 19623 1303 1 5 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.306 0.156 19623 1304 1 5 . 1 1 12 12 ALA H H 12 8.099 8.099 8.108 -0.009 19623 1305 1 5 . 1 1 13 13 LYS N N 13 118.689 118.689 118.622 0.067 19623 1306 1 5 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.966 -0.346 19623 1307 1 5 . 1 1 13 13 LYS C C 13 177.203 177.203 178.526 -1.323 19623 1308 1 5 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.931 0.459 19623 1309 1 5 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.359 1.265 19623 1310 1 5 . 1 1 13 13 LYS H H 13 8.382 8.382 8.342 0.040 19623 1311 1 5 . 1 1 14 14 GLU N N 14 117.865 117.865 120.050 -2.185 19623 1312 1 5 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.020 0.265 19623 1313 1 5 . 1 1 14 14 GLU C C 14 179.404 179.404 178.981 0.423 19623 1314 1 5 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.620 0.387 19623 1315 1 5 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.565 -0.147 19623 1316 1 5 . 1 1 14 14 GLU H H 14 7.952 7.952 8.165 -0.213 19623 1317 1 5 . 1 1 15 15 LYS N N 15 119.020 119.020 118.368 0.652 19623 1318 1 5 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.090 -0.157 19623 1319 1 5 . 1 1 15 15 LYS C C 15 177.976 177.976 178.924 -0.948 19623 1320 1 5 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.114 0.477 19623 1321 1 5 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.355 -0.080 19623 1322 1 5 . 1 1 15 15 LYS H H 15 8.029 8.029 7.932 0.097 19623 1323 1 5 . 1 1 16 16 ALA N N 16 120.410 120.410 122.564 -2.154 19623 1324 1 5 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.137 -0.175 19623 1325 1 5 . 1 1 16 16 ALA C C 16 179.140 179.140 179.560 -0.420 19623 1326 1 5 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.192 0.234 19623 1327 1 5 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.649 -0.239 19623 1328 1 5 . 1 1 16 16 ALA H H 16 7.904 7.904 7.781 0.123 19623 1329 1 5 . 1 1 17 17 ILE N N 17 117.363 117.363 114.814 2.549 19623 1330 1 5 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.905 1.945 19623 1331 1 5 . 1 1 17 17 ILE C C 17 177.604 177.604 177.651 -0.047 19623 1332 1 5 . 1 1 17 17 ILE CA C 17 66.545 66.545 63.803 2.742 19623 1333 1 5 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.546 0.297 19623 1334 1 5 . 1 1 17 17 ILE H H 17 8.500 8.500 8.101 0.399 19623 1335 1 5 . 1 1 18 18 LYS N N 18 119.838 119.838 122.152 -2.314 19623 1336 1 5 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.881 -0.016 19623 1337 1 5 . 1 1 18 18 LYS C C 18 176.653 176.653 178.600 -1.947 19623 1338 1 5 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.400 -0.211 19623 1339 1 5 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.144 0.116 19623 1340 1 5 . 1 1 18 18 LYS H H 18 7.833 7.833 8.051 -0.218 19623 1341 1 5 . 1 1 19 19 ASP N N 19 120.497 120.497 119.787 0.710 19623 1342 1 5 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.270 0.299 19623 1343 1 5 . 1 1 19 19 ASP C C 19 179.120 179.120 178.870 0.250 19623 1344 1 5 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.080 0.028 19623 1345 1 5 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.455 0.398 19623 1346 1 5 . 1 1 19 19 ASP H H 19 8.479 8.479 7.692 0.787 19623 1347 1 5 . 1 1 20 20 LEU N N 20 121.660 121.660 120.028 1.632 19623 1348 1 5 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.118 0.030 19623 1349 1 5 . 1 1 20 20 LEU C C 20 178.377 178.377 178.829 -0.452 19623 1350 1 5 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.204 0.021 19623 1351 1 5 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.746 -0.161 19623 1352 1 5 . 1 1 20 20 LEU H H 20 8.136 8.136 7.654 0.482 19623 1353 1 5 . 1 1 21 21 LYS N N 21 120.182 120.182 119.368 0.814 19623 1354 1 5 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.146 -0.242 19623 1355 1 5 . 1 1 21 21 LYS C C 21 179.785 179.785 179.405 0.380 19623 1356 1 5 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.246 0.311 19623 1357 1 5 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.455 -2.800 19623 1358 1 5 . 1 1 21 21 LYS H H 21 8.043 8.043 8.048 -0.005 19623 1359 1 5 . 1 1 22 22 ILE N N 22 121.523 121.523 120.091 1.432 19623 1360 1 5 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.672 -0.150 19623 1361 1 5 . 1 1 22 22 ILE C C 22 177.399 177.399 177.864 -0.465 19623 1362 1 5 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.445 0.418 19623 1363 1 5 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.822 0.225 19623 1364 1 5 . 1 1 22 22 ILE H H 22 8.735 8.735 7.664 1.071 19623 1365 1 5 . 1 1 23 23 TYR N N 23 117.506 117.506 118.188 -0.682 19623 1366 1 5 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.349 0.132 19623 1367 1 5 . 1 1 23 23 TYR C C 23 176.020 176.020 176.833 -0.813 19623 1368 1 5 . 1 1 23 23 TYR CA C 23 58.369 58.369 59.310 -0.941 19623 1369 1 5 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.348 0.151 19623 1370 1 5 . 1 1 23 23 TYR H H 23 7.291 7.291 7.943 -0.652 19623 1371 1 5 . 1 1 24 24 GLY N N 24 108.209 108.209 106.292 1.917 19623 1372 1 5 . 1 1 24 24 GLY C C 24 174.651 174.651 174.604 0.047 19623 1373 1 5 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.964 1.445 19623 1374 1 5 . 1 1 24 24 GLY H H 24 7.910 7.910 7.774 0.136 19623 1375 1 5 . 1 1 25 25 ILE N N 25 119.897 119.897 122.473 -2.576 19623 1376 1 5 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.353 -0.606 19623 1377 1 5 . 1 1 25 25 ILE C C 25 175.864 175.864 176.267 -0.403 19623 1378 1 5 . 1 1 25 25 ILE CA C 25 60.984 60.984 61.540 -0.556 19623 1379 1 5 . 1 1 25 25 ILE CB C 25 37.120 37.120 39.819 -2.699 19623 1380 1 5 . 1 1 25 25 ILE H H 25 7.383 7.383 8.097 -0.714 19623 1381 1 5 . 1 1 26 26 GLY N N 26 111.580 111.580 115.422 -3.842 19623 1382 1 5 . 1 1 26 26 GLY C C 26 174.847 174.847 175.279 -0.432 19623 1383 1 5 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.778 0.544 19623 1384 1 5 . 1 1 26 26 GLY H H 26 8.811 8.811 8.522 0.289 19623 1385 1 5 . 1 1 27 27 GLU N N 27 120.229 120.229 121.175 -0.946 19623 1386 1 5 . 1 1 27 27 GLU C C 27 177.311 177.311 178.606 -1.295 19623 1387 1 5 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.291 0.439 19623 1388 1 5 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.744 0.189 19623 1389 1 5 . 1 1 27 27 GLU H H 27 8.711 8.711 8.988 -0.277 19623 1390 1 5 . 1 1 28 28 HIS N N 28 117.558 117.558 119.172 -1.614 19623 1391 1 5 . 1 1 28 28 HIS C C 28 176.949 176.949 177.076 -0.127 19623 1392 1 5 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.601 0.073 19623 1393 1 5 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.352 0.485 19623 1394 1 5 . 1 1 28 28 HIS H H 28 8.870 8.870 8.541 0.329 19623 1395 1 5 . 1 1 29 29 TYR N N 29 115.589 115.589 116.560 -0.971 19623 1396 1 5 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.287 -0.197 19623 1397 1 5 . 1 1 29 29 TYR C C 29 177.552 177.552 178.039 -0.487 19623 1398 1 5 . 1 1 29 29 TYR CA C 29 60.998 60.998 61.045 -0.047 19623 1399 1 5 . 1 1 29 29 TYR CB C 29 38.683 38.683 38.550 0.133 19623 1400 1 5 . 1 1 29 29 TYR H H 29 7.227 7.227 7.686 -0.459 19623 1401 1 5 . 1 1 30 30 ILE N N 30 120.353 120.353 120.118 0.235 19623 1402 1 5 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.682 -0.238 19623 1403 1 5 . 1 1 30 30 ILE C C 30 178.211 178.211 177.713 0.498 19623 1404 1 5 . 1 1 30 30 ILE CA C 30 65.640 65.640 63.271 2.369 19623 1405 1 5 . 1 1 30 30 ILE CB C 30 37.553 37.553 36.746 0.807 19623 1406 1 5 . 1 1 30 30 ILE H H 30 7.485 7.485 7.599 -0.114 19623 1407 1 5 . 1 1 31 31 LYS N N 31 117.249 117.249 119.890 -2.641 19623 1408 1 5 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.085 -0.074 19623 1409 1 5 . 1 1 31 31 LYS C C 31 178.954 178.954 179.180 -0.226 19623 1410 1 5 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.230 -0.337 19623 1411 1 5 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.184 -0.511 19623 1412 1 5 . 1 1 31 31 LYS H H 31 8.064 8.064 8.173 -0.109 19623 1413 1 5 . 1 1 32 32 LEU N N 32 117.176 117.176 119.833 -2.657 19623 1414 1 5 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.879 0.015 19623 1415 1 5 . 1 1 32 32 LEU C C 32 179.883 179.883 178.437 1.446 19623 1416 1 5 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.667 0.320 19623 1417 1 5 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.612 -0.357 19623 1418 1 5 . 1 1 32 32 LEU H H 32 7.154 7.154 7.208 -0.054 19623 1419 1 5 . 1 1 33 33 ILE N N 33 118.598 118.598 116.308 2.290 19623 1420 1 5 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.729 -0.158 19623 1421 1 5 . 1 1 33 33 ILE C C 33 177.917 177.917 178.871 -0.954 19623 1422 1 5 . 1 1 33 33 ILE CA C 33 63.579 63.579 62.961 0.618 19623 1423 1 5 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.359 -1.657 19623 1424 1 5 . 1 1 33 33 ILE H H 33 7.412 7.412 7.459 -0.047 19623 1425 1 5 . 1 1 34 34 GLU N N 34 116.574 116.574 120.087 -3.513 19623 1426 1 5 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.028 -0.202 19623 1427 1 5 . 1 1 34 34 GLU C C 34 178.661 178.661 178.648 0.013 19623 1428 1 5 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.637 0.052 19623 1429 1 5 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.343 0.511 19623 1430 1 5 . 1 1 34 34 GLU H H 34 7.987 7.987 7.819 0.168 19623 1431 1 5 . 1 1 35 35 LYS N N 35 114.863 114.863 117.804 -2.941 19623 1432 1 5 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.304 -0.097 19623 1433 1 5 . 1 1 35 35 LYS C C 35 176.861 176.861 175.909 0.952 19623 1434 1 5 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.492 0.835 19623 1435 1 5 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.733 0.274 19623 1436 1 5 . 1 1 35 35 LYS H H 35 7.361 7.361 7.797 -0.436 19623 1437 1 5 . 1 1 36 36 ALA N N 36 124.407 124.407 124.215 0.192 19623 1438 1 5 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.291 -0.162 19623 1439 1 5 . 1 1 36 36 ALA C C 36 178.279 178.279 177.251 1.028 19623 1440 1 5 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.818 0.439 19623 1441 1 5 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.665 -0.083 19623 1442 1 5 . 1 1 36 36 ALA H H 36 7.365 7.365 7.431 -0.066 19623 1443 1 5 . 1 1 37 37 LYS N N 37 116.217 116.217 120.052 -3.835 19623 1444 1 5 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.371 0.012 19623 1445 1 5 . 1 1 37 37 LYS C C 37 176.167 176.167 175.840 0.327 19623 1446 1 5 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.761 -0.159 19623 1447 1 5 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.003 1.880 19623 1448 1 5 . 1 1 37 37 LYS H H 37 8.908 8.908 8.715 0.193 19623 1449 1 5 . 1 1 38 38 GLN N N 38 113.293 113.293 117.893 -4.600 19623 1450 1 5 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.551 0.262 19623 1451 1 5 . 1 1 38 38 GLN C C 38 176.138 176.138 175.467 0.671 19623 1452 1 5 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.816 -0.698 19623 1453 1 5 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.640 0.582 19623 1454 1 5 . 1 1 38 38 GLN H H 38 7.033 7.033 7.414 -0.381 19623 1455 1 5 . 1 1 39 39 VAL N N 39 125.474 125.474 124.393 1.081 19623 1456 1 5 . 1 1 39 39 VAL C C 39 177.751 177.751 177.233 0.518 19623 1457 1 5 . 1 1 39 39 VAL CA C 39 67.737 67.737 65.857 1.880 19623 1458 1 5 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.595 -0.157 19623 1459 1 5 . 1 1 39 39 VAL H H 39 9.250 9.250 8.711 0.539 19623 1460 1 5 . 1 1 40 40 ALA N N 40 120.717 120.717 122.471 -1.754 19623 1461 1 5 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.118 -0.077 19623 1462 1 5 . 1 1 40 40 ALA C C 40 179.081 179.081 179.459 -0.378 19623 1463 1 5 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.232 -0.173 19623 1464 1 5 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.706 0.029 19623 1465 1 5 . 1 1 40 40 ALA H H 40 8.903 8.903 8.402 0.501 19623 1466 1 5 . 1 1 41 41 ALA N N 41 116.698 116.698 121.422 -4.724 19623 1467 1 5 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.061 0.175 19623 1468 1 5 . 1 1 41 41 ALA C C 41 180.294 180.294 180.014 0.280 19623 1469 1 5 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.710 -0.022 19623 1470 1 5 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.287 0.437 19623 1471 1 5 . 1 1 41 41 ALA H H 41 6.701 6.701 8.223 -1.522 19623 1472 1 5 . 1 1 42 42 VAL N N 42 119.051 119.051 118.970 0.081 19623 1473 1 5 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.474 -0.196 19623 1474 1 5 . 1 1 42 42 VAL C C 42 176.812 176.812 178.338 -1.526 19623 1475 1 5 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.109 0.533 19623 1476 1 5 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.622 -0.223 19623 1477 1 5 . 1 1 42 42 VAL H H 42 7.552 7.552 8.266 -0.714 19623 1478 1 5 . 1 1 43 43 GLU N N 43 117.715 117.715 119.905 -2.190 19623 1479 1 5 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.000 -0.145 19623 1480 1 5 . 1 1 43 43 GLU C C 43 178.973 178.973 178.967 0.006 19623 1481 1 5 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.961 -0.568 19623 1482 1 5 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.474 -0.663 19623 1483 1 5 . 1 1 43 43 GLU H H 43 7.804 7.804 8.176 -0.372 19623 1484 1 5 . 1 1 44 44 ASP N N 44 119.175 119.175 120.416 -1.241 19623 1485 1 5 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.463 -0.100 19623 1486 1 5 . 1 1 44 44 ASP C C 44 178.211 178.211 178.937 -0.726 19623 1487 1 5 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.128 0.180 19623 1488 1 5 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.599 -0.095 19623 1489 1 5 . 1 1 44 44 ASP H H 44 8.169 8.169 8.287 -0.118 19623 1490 1 5 . 1 1 45 45 LEU N N 45 117.848 117.848 120.502 -2.654 19623 1491 1 5 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.947 0.172 19623 1492 1 5 . 1 1 45 45 LEU C C 45 178.416 178.416 178.636 -0.220 19623 1493 1 5 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.880 -0.586 19623 1494 1 5 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.854 -1.380 19623 1495 1 5 . 1 1 45 45 LEU H H 45 8.119 8.119 8.439 -0.320 19623 1496 1 5 . 1 1 46 46 LYS N N 46 119.462 119.462 119.921 -0.459 19623 1497 1 5 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.853 0.119 19623 1498 1 5 . 1 1 46 46 LYS C C 46 177.653 177.653 178.711 -1.058 19623 1499 1 5 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.208 0.068 19623 1500 1 5 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.132 -0.682 19623 1501 1 5 . 1 1 46 46 LYS H H 46 8.483 8.483 8.178 0.305 19623 1502 1 5 . 1 1 47 47 ASP N N 47 117.470 117.470 119.455 -1.985 19623 1503 1 5 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.524 -0.180 19623 1504 1 5 . 1 1 47 47 ASP C C 47 179.384 179.384 178.918 0.466 19623 1505 1 5 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.376 0.311 19623 1506 1 5 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.296 0.513 19623 1507 1 5 . 1 1 47 47 ASP H H 47 7.846 7.846 8.023 -0.177 19623 1508 1 5 . 1 1 48 48 GLU N N 48 119.662 119.662 119.777 -0.115 19623 1509 1 5 . 1 1 48 48 GLU HA H 48 4.011 4.011 3.992 0.019 19623 1510 1 5 . 1 1 48 48 GLU C C 48 180.724 180.724 179.342 1.382 19623 1511 1 5 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.700 1.391 19623 1512 1 5 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.371 2.620 19623 1513 1 5 . 1 1 48 48 GLU H H 48 8.327 8.327 7.827 0.500 19623 1514 1 5 . 1 1 49 49 ILE N N 49 120.308 120.308 120.806 -0.498 19623 1515 1 5 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.672 0.066 19623 1516 1 5 . 1 1 49 49 ILE C C 49 179.238 179.238 177.981 1.257 19623 1517 1 5 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.211 -0.619 19623 1518 1 5 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.949 0.010 19623 1519 1 5 . 1 1 49 49 ILE H H 49 7.667 7.667 8.470 -0.803 19623 1520 1 5 . 1 1 50 50 LEU N N 50 121.274 121.274 120.553 0.721 19623 1521 1 5 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.907 0.652 19623 1522 1 5 . 1 1 50 50 LEU C C 50 179.971 179.971 178.870 1.101 19623 1523 1 5 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.705 0.089 19623 1524 1 5 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.225 -0.369 19623 1525 1 5 . 1 1 50 50 LEU H H 50 8.474 8.474 8.055 0.419 19623 1526 1 5 . 1 1 51 51 LYS N N 51 119.972 119.972 119.637 0.335 19623 1527 1 5 . 1 1 51 51 LYS HA H 51 3.982 3.982 4.000 -0.019 19623 1528 1 5 . 1 1 51 51 LYS C C 51 179.189 179.189 179.066 0.123 19623 1529 1 5 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.378 0.148 19623 1530 1 5 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.074 0.101 19623 1531 1 5 . 1 1 51 51 LYS H H 51 8.197 8.197 7.884 0.313 19623 1532 1 5 . 1 1 52 52 ALA N N 52 121.059 121.059 120.048 1.011 19623 1533 1 5 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.063 0.095 19623 1534 1 5 . 1 1 52 52 ALA C C 52 178.015 178.015 178.608 -0.593 19623 1535 1 5 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.269 -0.607 19623 1536 1 5 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.379 -0.476 19623 1537 1 5 . 1 1 52 52 ALA H H 52 7.809 7.809 7.511 0.298 19623 1538 1 5 . 1 1 53 53 HIS N N 53 115.943 115.943 116.710 -0.767 19623 1539 1 5 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.315 0.058 19623 1540 1 5 . 1 1 53 53 HIS C C 53 174.015 174.015 174.976 -0.961 19623 1541 1 5 . 1 1 53 53 HIS CA C 53 57.409 57.409 57.855 -0.445 19623 1542 1 5 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.314 -1.304 19623 1543 1 5 . 1 1 53 53 HIS H H 53 7.598 7.598 7.901 -0.303 19623 1544 1 5 . 1 1 54 54 ASP N N 54 119.133 119.133 114.718 4.415 19623 1545 1 5 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.343 0.099 19623 1546 1 5 . 1 1 54 54 ASP C C 54 175.609 175.609 176.026 -0.417 19623 1547 1 5 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.398 -0.426 19623 1548 1 5 . 1 1 54 54 ASP CB C 54 40.209 40.209 38.681 1.528 19623 1549 1 5 . 1 1 54 54 ASP H H 54 7.974 7.974 8.128 -0.154 19623 1550 1 5 . 1 1 55 55 ARG N N 55 118.206 118.206 117.984 0.222 19623 1551 1 5 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.461 -0.137 19623 1552 1 5 . 1 1 55 55 ARG C C 55 174.671 174.671 176.306 -1.635 19623 1553 1 5 . 1 1 55 55 ARG CA C 55 54.785 54.785 55.412 -0.627 19623 1554 1 5 . 1 1 55 55 ARG CB C 55 30.507 30.507 31.123 -0.616 19623 1555 1 5 . 1 1 55 55 ARG H H 55 7.943 7.943 8.138 -0.195 19623 1556 1 6 . 1 1 2 2 GLY N N 2 113.169 113.169 107.832 5.337 19623 1557 1 6 . 1 1 2 2 GLY C C 2 173.996 173.996 173.774 0.222 19623 1558 1 6 . 1 1 2 2 GLY CA C 2 45.211 45.211 44.770 0.441 19623 1559 1 6 . 1 1 2 2 GLY H H 2 8.533 8.533 7.715 0.818 19623 1560 1 6 . 1 1 3 3 ASP N N 3 120.717 120.717 119.526 1.191 19623 1561 1 6 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.666 -0.107 19623 1562 1 6 . 1 1 3 3 ASP C C 3 176.675 176.675 176.142 0.533 19623 1563 1 6 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.455 1.034 19623 1564 1 6 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.555 -0.358 19623 1565 1 6 . 1 1 3 3 ASP H H 3 8.412 8.412 7.936 0.476 19623 1566 1 6 . 1 1 4 4 LYS N N 4 121.955 121.955 121.270 0.685 19623 1567 1 6 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.019 0.227 19623 1568 1 6 . 1 1 4 4 LYS C C 4 177.301 177.301 177.438 -0.137 19623 1569 1 6 . 1 1 4 4 LYS CA C 4 56.606 56.606 58.147 -1.541 19623 1570 1 6 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.210 0.226 19623 1571 1 6 . 1 1 4 4 LYS H H 4 8.490 8.490 8.381 0.109 19623 1572 1 6 . 1 1 5 5 GLY N N 5 109.376 109.376 113.125 -3.749 19623 1573 1 6 . 1 1 5 5 GLY C C 5 174.045 174.045 174.845 -0.800 19623 1574 1 6 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.755 0.550 19623 1575 1 6 . 1 1 5 5 GLY H H 5 8.491 8.491 8.677 -0.186 19623 1576 1 6 . 1 1 6 6 TYR N N 6 120.416 120.416 120.686 -0.270 19623 1577 1 6 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.282 0.228 19623 1578 1 6 . 1 1 6 6 TYR C C 6 175.952 175.952 174.357 1.595 19623 1579 1 6 . 1 1 6 6 TYR CA C 6 58.383 58.383 58.420 -0.037 19623 1580 1 6 . 1 1 6 6 TYR CB C 6 38.562 38.562 39.294 -0.732 19623 1581 1 6 . 1 1 6 6 TYR H H 6 8.134 8.134 7.777 0.357 19623 1582 1 6 . 1 1 7 7 ASN N N 7 122.415 122.415 126.630 -4.215 19623 1583 1 6 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.480 0.108 19623 1584 1 6 . 1 1 7 7 ASN C C 7 175.521 175.521 175.897 -0.376 19623 1585 1 6 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.999 -0.591 19623 1586 1 6 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.179 0.601 19623 1587 1 6 . 1 1 7 7 ASN H H 7 8.557 8.557 8.271 0.286 19623 1588 1 6 . 1 1 8 8 GLY N N 8 109.431 109.431 111.152 -1.721 19623 1589 1 6 . 1 1 8 8 GLY C C 8 175.609 175.609 175.332 0.277 19623 1590 1 6 . 1 1 8 8 GLY CA C 8 45.990 45.990 45.285 0.705 19623 1591 1 6 . 1 1 8 8 GLY H H 8 8.285 8.285 8.622 -0.337 19623 1592 1 6 . 1 1 9 9 LEU N N 9 123.596 123.596 123.158 0.438 19623 1593 1 6 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.274 -0.341 19623 1594 1 6 . 1 1 9 9 LEU C C 9 177.458 177.458 177.578 -0.120 19623 1595 1 6 . 1 1 9 9 LEU CA C 9 58.248 58.248 58.491 -0.243 19623 1596 1 6 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.647 0.043 19623 1597 1 6 . 1 1 9 9 LEU H H 9 8.136 8.136 7.554 0.582 19623 1598 1 6 . 1 1 10 10 ALA N N 10 121.310 121.310 121.273 0.037 19623 1599 1 6 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.978 -0.045 19623 1600 1 6 . 1 1 10 10 ALA C C 10 181.140 181.140 179.795 1.345 19623 1601 1 6 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.160 0.345 19623 1602 1 6 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.742 0.049 19623 1603 1 6 . 1 1 10 10 ALA H H 10 8.361 8.361 8.726 -0.365 19623 1604 1 6 . 1 1 11 11 GLU N N 11 118.893 118.893 119.357 -0.464 19623 1605 1 6 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.050 -0.058 19623 1606 1 6 . 1 1 11 11 GLU C C 11 178.797 178.797 178.775 0.022 19623 1607 1 6 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.274 0.618 19623 1608 1 6 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.331 -0.341 19623 1609 1 6 . 1 1 11 11 GLU H H 11 8.490 8.490 8.104 0.386 19623 1610 1 6 . 1 1 12 12 ALA N N 12 122.362 122.362 122.500 -0.138 19623 1611 1 6 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.110 -0.030 19623 1612 1 6 . 1 1 12 12 ALA C C 12 181.228 181.228 179.638 1.590 19623 1613 1 6 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.215 0.003 19623 1614 1 6 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.346 0.116 19623 1615 1 6 . 1 1 12 12 ALA H H 12 8.099 8.099 8.186 -0.087 19623 1616 1 6 . 1 1 13 13 LYS N N 13 118.689 118.689 118.694 -0.005 19623 1617 1 6 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.998 -0.378 19623 1618 1 6 . 1 1 13 13 LYS C C 13 177.203 177.203 178.627 -1.424 19623 1619 1 6 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.957 0.433 19623 1620 1 6 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.377 1.247 19623 1621 1 6 . 1 1 13 13 LYS H H 13 8.382 8.382 8.294 0.088 19623 1622 1 6 . 1 1 14 14 GLU N N 14 117.865 117.865 120.218 -2.353 19623 1623 1 6 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.044 0.241 19623 1624 1 6 . 1 1 14 14 GLU C C 14 179.404 179.404 178.893 0.511 19623 1625 1 6 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.652 0.355 19623 1626 1 6 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.518 -0.100 19623 1627 1 6 . 1 1 14 14 GLU H H 14 7.952 7.952 8.234 -0.282 19623 1628 1 6 . 1 1 15 15 LYS N N 15 119.020 119.020 118.989 0.031 19623 1629 1 6 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.075 -0.142 19623 1630 1 6 . 1 1 15 15 LYS C C 15 177.976 177.976 178.983 -1.007 19623 1631 1 6 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.434 0.157 19623 1632 1 6 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.407 -0.132 19623 1633 1 6 . 1 1 15 15 LYS H H 15 8.029 8.029 8.039 -0.010 19623 1634 1 6 . 1 1 16 16 ALA N N 16 120.410 120.410 122.576 -2.166 19623 1635 1 6 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.153 -0.191 19623 1636 1 6 . 1 1 16 16 ALA C C 16 179.140 179.140 179.675 -0.535 19623 1637 1 6 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.094 0.332 19623 1638 1 6 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.552 -0.142 19623 1639 1 6 . 1 1 16 16 ALA H H 16 7.904 7.904 8.021 -0.117 19623 1640 1 6 . 1 1 17 17 ILE N N 17 117.363 117.363 118.589 -1.226 19623 1641 1 6 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.657 2.193 19623 1642 1 6 . 1 1 17 17 ILE C C 17 177.604 177.604 177.764 -0.160 19623 1643 1 6 . 1 1 17 17 ILE CA C 17 66.545 66.545 64.888 1.657 19623 1644 1 6 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.809 0.034 19623 1645 1 6 . 1 1 17 17 ILE H H 17 8.500 8.500 8.299 0.201 19623 1646 1 6 . 1 1 18 18 LYS N N 18 119.838 119.838 121.151 -1.313 19623 1647 1 6 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.838 0.027 19623 1648 1 6 . 1 1 18 18 LYS C C 18 176.653 176.653 178.750 -2.097 19623 1649 1 6 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.395 -0.206 19623 1650 1 6 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.139 0.121 19623 1651 1 6 . 1 1 18 18 LYS H H 18 7.833 7.833 8.276 -0.443 19623 1652 1 6 . 1 1 19 19 ASP N N 19 120.497 120.497 119.789 0.708 19623 1653 1 6 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.296 0.273 19623 1654 1 6 . 1 1 19 19 ASP C C 19 179.120 179.120 178.935 0.185 19623 1655 1 6 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.093 0.016 19623 1656 1 6 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.432 0.421 19623 1657 1 6 . 1 1 19 19 ASP H H 19 8.479 8.479 7.768 0.711 19623 1658 1 6 . 1 1 20 20 LEU N N 20 121.660 121.660 120.395 1.265 19623 1659 1 6 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.191 -0.043 19623 1660 1 6 . 1 1 20 20 LEU C C 20 178.377 178.377 178.997 -0.620 19623 1661 1 6 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.349 -0.124 19623 1662 1 6 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.767 -0.182 19623 1663 1 6 . 1 1 20 20 LEU H H 20 8.136 8.136 7.847 0.289 19623 1664 1 6 . 1 1 21 21 LYS N N 21 120.182 120.182 119.038 1.144 19623 1665 1 6 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.161 -0.257 19623 1666 1 6 . 1 1 21 21 LYS C C 21 179.785 179.785 179.516 0.269 19623 1667 1 6 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.211 0.346 19623 1668 1 6 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.486 -2.831 19623 1669 1 6 . 1 1 21 21 LYS H H 21 8.043 8.043 8.202 -0.159 19623 1670 1 6 . 1 1 22 22 ILE N N 22 121.523 121.523 120.264 1.259 19623 1671 1 6 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.681 -0.159 19623 1672 1 6 . 1 1 22 22 ILE C C 22 177.399 177.399 177.829 -0.430 19623 1673 1 6 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.467 0.396 19623 1674 1 6 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.853 0.193 19623 1675 1 6 . 1 1 22 22 ILE H H 22 8.735 8.735 7.937 0.798 19623 1676 1 6 . 1 1 23 23 TYR N N 23 117.506 117.506 117.138 0.368 19623 1677 1 6 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.409 0.072 19623 1678 1 6 . 1 1 23 23 TYR C C 23 176.020 176.020 176.727 -0.707 19623 1679 1 6 . 1 1 23 23 TYR CA C 23 58.369 58.369 59.105 -0.736 19623 1680 1 6 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.764 -0.265 19623 1681 1 6 . 1 1 23 23 TYR H H 23 7.291 7.291 7.831 -0.540 19623 1682 1 6 . 1 1 24 24 GLY N N 24 108.209 108.209 106.640 1.569 19623 1683 1 6 . 1 1 24 24 GLY C C 24 174.651 174.651 174.656 -0.005 19623 1684 1 6 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.973 1.436 19623 1685 1 6 . 1 1 24 24 GLY H H 24 7.910 7.910 7.798 0.112 19623 1686 1 6 . 1 1 25 25 ILE N N 25 119.897 119.897 120.410 -0.513 19623 1687 1 6 . 1 1 25 25 ILE HA H 25 3.747 3.747 3.896 -0.149 19623 1688 1 6 . 1 1 25 25 ILE C C 25 175.864 175.864 176.108 -0.244 19623 1689 1 6 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.966 0.018 19623 1690 1 6 . 1 1 25 25 ILE CB C 25 37.120 37.120 39.545 -2.425 19623 1691 1 6 . 1 1 25 25 ILE H H 25 7.383 7.383 8.028 -0.645 19623 1692 1 6 . 1 1 26 26 GLY N N 26 111.580 111.580 113.195 -1.615 19623 1693 1 6 . 1 1 26 26 GLY C C 26 174.847 174.847 175.210 -0.363 19623 1694 1 6 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.765 0.557 19623 1695 1 6 . 1 1 26 26 GLY H H 26 8.811 8.811 8.225 0.586 19623 1696 1 6 . 1 1 27 27 GLU N N 27 120.229 120.229 122.182 -1.953 19623 1697 1 6 . 1 1 27 27 GLU C C 27 177.311 177.311 178.404 -1.093 19623 1698 1 6 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.062 0.668 19623 1699 1 6 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.697 0.236 19623 1700 1 6 . 1 1 27 27 GLU H H 27 8.711 8.711 8.991 -0.280 19623 1701 1 6 . 1 1 28 28 HIS N N 28 117.558 117.558 119.310 -1.752 19623 1702 1 6 . 1 1 28 28 HIS C C 28 176.949 176.949 177.043 -0.094 19623 1703 1 6 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.601 0.073 19623 1704 1 6 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.347 0.491 19623 1705 1 6 . 1 1 28 28 HIS H H 28 8.870 8.870 8.495 0.375 19623 1706 1 6 . 1 1 29 29 TYR N N 29 115.589 115.589 116.393 -0.804 19623 1707 1 6 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.288 -0.198 19623 1708 1 6 . 1 1 29 29 TYR C C 29 177.552 177.552 177.911 -0.359 19623 1709 1 6 . 1 1 29 29 TYR CA C 29 60.998 60.998 61.059 -0.061 19623 1710 1 6 . 1 1 29 29 TYR CB C 29 38.683 38.683 38.516 0.167 19623 1711 1 6 . 1 1 29 29 TYR H H 29 7.227 7.227 7.766 -0.539 19623 1712 1 6 . 1 1 30 30 ILE N N 30 120.353 120.353 120.995 -0.642 19623 1713 1 6 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.573 -0.129 19623 1714 1 6 . 1 1 30 30 ILE C C 30 178.211 178.211 177.665 0.546 19623 1715 1 6 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.606 0.035 19623 1716 1 6 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.669 -0.115 19623 1717 1 6 . 1 1 30 30 ILE H H 30 7.485 7.485 7.508 -0.023 19623 1718 1 6 . 1 1 31 31 LYS N N 31 117.249 117.249 119.776 -2.527 19623 1719 1 6 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.045 -0.034 19623 1720 1 6 . 1 1 31 31 LYS C C 31 178.954 178.954 179.032 -0.078 19623 1721 1 6 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.297 -0.404 19623 1722 1 6 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.188 -0.515 19623 1723 1 6 . 1 1 31 31 LYS H H 31 8.064 8.064 8.184 -0.120 19623 1724 1 6 . 1 1 32 32 LEU N N 32 117.176 117.176 119.886 -2.710 19623 1725 1 6 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.883 0.011 19623 1726 1 6 . 1 1 32 32 LEU C C 32 179.883 179.883 178.522 1.361 19623 1727 1 6 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.626 0.361 19623 1728 1 6 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.628 -0.373 19623 1729 1 6 . 1 1 32 32 LEU H H 32 7.154 7.154 7.210 -0.056 19623 1730 1 6 . 1 1 33 33 ILE N N 33 118.598 118.598 116.514 2.084 19623 1731 1 6 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.781 -0.210 19623 1732 1 6 . 1 1 33 33 ILE C C 33 177.917 177.917 178.891 -0.974 19623 1733 1 6 . 1 1 33 33 ILE CA C 33 63.579 63.579 62.928 0.651 19623 1734 1 6 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.158 -1.456 19623 1735 1 6 . 1 1 33 33 ILE H H 33 7.412 7.412 7.449 -0.037 19623 1736 1 6 . 1 1 34 34 GLU N N 34 116.574 116.574 120.464 -3.890 19623 1737 1 6 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.055 -0.229 19623 1738 1 6 . 1 1 34 34 GLU C C 34 178.661 178.661 178.909 -0.248 19623 1739 1 6 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.724 -0.035 19623 1740 1 6 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.364 0.491 19623 1741 1 6 . 1 1 34 34 GLU H H 34 7.987 7.987 7.882 0.105 19623 1742 1 6 . 1 1 35 35 LYS N N 35 114.863 114.863 117.772 -2.909 19623 1743 1 6 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.292 -0.085 19623 1744 1 6 . 1 1 35 35 LYS C C 35 176.861 176.861 175.864 0.997 19623 1745 1 6 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.504 0.824 19623 1746 1 6 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.651 0.356 19623 1747 1 6 . 1 1 35 35 LYS H H 35 7.361 7.361 7.785 -0.424 19623 1748 1 6 . 1 1 36 36 ALA N N 36 124.407 124.407 124.036 0.371 19623 1749 1 6 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.290 -0.161 19623 1750 1 6 . 1 1 36 36 ALA C C 36 178.279 178.279 177.313 0.966 19623 1751 1 6 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.801 0.456 19623 1752 1 6 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.715 -0.134 19623 1753 1 6 . 1 1 36 36 ALA H H 36 7.365 7.365 7.363 0.002 19623 1754 1 6 . 1 1 37 37 LYS N N 37 116.217 116.217 119.741 -3.524 19623 1755 1 6 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.351 0.032 19623 1756 1 6 . 1 1 37 37 LYS C C 37 176.167 176.167 176.075 0.092 19623 1757 1 6 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.694 -0.092 19623 1758 1 6 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.498 1.385 19623 1759 1 6 . 1 1 37 37 LYS H H 37 8.908 8.908 8.646 0.262 19623 1760 1 6 . 1 1 38 38 GLN N N 38 113.293 113.293 117.295 -4.002 19623 1761 1 6 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.523 0.290 19623 1762 1 6 . 1 1 38 38 GLN C C 38 176.138 176.138 176.055 0.083 19623 1763 1 6 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.154 -0.036 19623 1764 1 6 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.696 0.526 19623 1765 1 6 . 1 1 38 38 GLN H H 38 7.033 7.033 7.703 -0.670 19623 1766 1 6 . 1 1 39 39 VAL N N 39 125.474 125.474 123.594 1.880 19623 1767 1 6 . 1 1 39 39 VAL C C 39 177.751 177.751 177.033 0.718 19623 1768 1 6 . 1 1 39 39 VAL CA C 39 67.737 67.737 65.237 2.501 19623 1769 1 6 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.616 -0.178 19623 1770 1 6 . 1 1 39 39 VAL H H 39 9.250 9.250 8.685 0.565 19623 1771 1 6 . 1 1 40 40 ALA N N 40 120.717 120.717 122.437 -1.720 19623 1772 1 6 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.143 -0.102 19623 1773 1 6 . 1 1 40 40 ALA C C 40 179.081 179.081 179.148 -0.067 19623 1774 1 6 . 1 1 40 40 ALA CA C 40 55.059 55.059 54.822 0.237 19623 1775 1 6 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.703 0.032 19623 1776 1 6 . 1 1 40 40 ALA H H 40 8.903 8.903 8.298 0.605 19623 1777 1 6 . 1 1 41 41 ALA N N 41 116.698 116.698 121.898 -5.200 19623 1778 1 6 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.056 0.180 19623 1779 1 6 . 1 1 41 41 ALA C C 41 180.294 180.294 179.955 0.339 19623 1780 1 6 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.710 -0.022 19623 1781 1 6 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.243 0.481 19623 1782 1 6 . 1 1 41 41 ALA H H 41 6.701 6.701 8.209 -1.508 19623 1783 1 6 . 1 1 42 42 VAL N N 42 119.051 119.051 118.674 0.377 19623 1784 1 6 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.491 -0.213 19623 1785 1 6 . 1 1 42 42 VAL C C 42 176.812 176.812 178.266 -1.454 19623 1786 1 6 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.105 0.536 19623 1787 1 6 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.651 -0.252 19623 1788 1 6 . 1 1 42 42 VAL H H 42 7.552 7.552 8.153 -0.601 19623 1789 1 6 . 1 1 43 43 GLU N N 43 117.715 117.715 119.715 -2.000 19623 1790 1 6 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.032 -0.177 19623 1791 1 6 . 1 1 43 43 GLU C C 43 178.973 178.973 178.929 0.044 19623 1792 1 6 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.833 -0.440 19623 1793 1 6 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.440 -0.629 19623 1794 1 6 . 1 1 43 43 GLU H H 43 7.804 7.804 7.611 0.193 19623 1795 1 6 . 1 1 44 44 ASP N N 44 119.175 119.175 120.444 -1.269 19623 1796 1 6 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.466 -0.103 19623 1797 1 6 . 1 1 44 44 ASP C C 44 178.211 178.211 178.919 -0.708 19623 1798 1 6 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.133 0.175 19623 1799 1 6 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.587 -0.083 19623 1800 1 6 . 1 1 44 44 ASP H H 44 8.169 8.169 8.376 -0.207 19623 1801 1 6 . 1 1 45 45 LEU N N 45 117.848 117.848 120.563 -2.715 19623 1802 1 6 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.967 0.152 19623 1803 1 6 . 1 1 45 45 LEU C C 45 178.416 178.416 178.568 -0.152 19623 1804 1 6 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.847 -0.553 19623 1805 1 6 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.883 -1.409 19623 1806 1 6 . 1 1 45 45 LEU H H 45 8.119 8.119 8.350 -0.231 19623 1807 1 6 . 1 1 46 46 LYS N N 46 119.462 119.462 120.098 -0.636 19623 1808 1 6 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.862 0.110 19623 1809 1 6 . 1 1 46 46 LYS C C 46 177.653 177.653 178.688 -1.035 19623 1810 1 6 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.334 -0.058 19623 1811 1 6 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.178 -0.728 19623 1812 1 6 . 1 1 46 46 LYS H H 46 8.483 8.483 8.260 0.223 19623 1813 1 6 . 1 1 47 47 ASP N N 47 117.470 117.470 119.206 -1.736 19623 1814 1 6 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.634 -0.290 19623 1815 1 6 . 1 1 47 47 ASP C C 47 179.384 179.384 179.024 0.360 19623 1816 1 6 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.544 0.143 19623 1817 1 6 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.316 0.493 19623 1818 1 6 . 1 1 47 47 ASP H H 47 7.846 7.846 8.082 -0.236 19623 1819 1 6 . 1 1 48 48 GLU N N 48 119.662 119.662 119.643 0.019 19623 1820 1 6 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.063 -0.052 19623 1821 1 6 . 1 1 48 48 GLU C C 48 180.724 180.724 179.351 1.373 19623 1822 1 6 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.478 1.613 19623 1823 1 6 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.471 2.520 19623 1824 1 6 . 1 1 48 48 GLU H H 48 8.327 8.327 7.581 0.746 19623 1825 1 6 . 1 1 49 49 ILE N N 49 120.308 120.308 121.353 -1.045 19623 1826 1 6 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.709 0.029 19623 1827 1 6 . 1 1 49 49 ILE C C 49 179.238 179.238 178.078 1.160 19623 1828 1 6 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.513 -0.921 19623 1829 1 6 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.979 -0.020 19623 1830 1 6 . 1 1 49 49 ILE H H 49 7.667 7.667 8.627 -0.960 19623 1831 1 6 . 1 1 50 50 LEU N N 50 121.274 121.274 120.602 0.672 19623 1832 1 6 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.971 0.588 19623 1833 1 6 . 1 1 50 50 LEU C C 50 179.971 179.971 179.214 0.757 19623 1834 1 6 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.934 -0.140 19623 1835 1 6 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.562 -0.706 19623 1836 1 6 . 1 1 50 50 LEU H H 50 8.474 8.474 8.400 0.074 19623 1837 1 6 . 1 1 51 51 LYS N N 51 119.972 119.972 119.546 0.426 19623 1838 1 6 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.919 0.063 19623 1839 1 6 . 1 1 51 51 LYS C C 51 179.189 179.189 179.107 0.082 19623 1840 1 6 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.420 0.106 19623 1841 1 6 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.076 0.099 19623 1842 1 6 . 1 1 51 51 LYS H H 51 8.197 8.197 7.865 0.332 19623 1843 1 6 . 1 1 52 52 ALA N N 52 121.059 121.059 120.272 0.787 19623 1844 1 6 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.111 0.047 19623 1845 1 6 . 1 1 52 52 ALA C C 52 178.015 178.015 178.795 -0.780 19623 1846 1 6 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.392 -0.730 19623 1847 1 6 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.551 -0.648 19623 1848 1 6 . 1 1 52 52 ALA H H 52 7.809 7.809 7.625 0.184 19623 1849 1 6 . 1 1 53 53 HIS N N 53 115.943 115.943 115.961 -0.018 19623 1850 1 6 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.290 0.083 19623 1851 1 6 . 1 1 53 53 HIS C C 53 174.015 174.015 174.341 -0.326 19623 1852 1 6 . 1 1 53 53 HIS CA C 53 57.409 57.409 55.886 1.523 19623 1853 1 6 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.280 -1.270 19623 1854 1 6 . 1 1 53 53 HIS H H 53 7.598 7.598 7.838 -0.240 19623 1855 1 6 . 1 1 54 54 ASP N N 54 119.133 119.133 116.480 2.653 19623 1856 1 6 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.276 0.166 19623 1857 1 6 . 1 1 54 54 ASP C C 54 175.609 175.609 175.622 -0.013 19623 1858 1 6 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.460 -0.489 19623 1859 1 6 . 1 1 54 54 ASP CB C 54 40.209 40.209 38.959 1.250 19623 1860 1 6 . 1 1 54 54 ASP H H 54 7.974 7.974 7.847 0.127 19623 1861 1 6 . 1 1 55 55 ARG N N 55 118.206 118.206 115.201 3.005 19623 1862 1 6 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.255 0.069 19623 1863 1 6 . 1 1 55 55 ARG C C 55 174.671 174.671 175.846 -1.175 19623 1864 1 6 . 1 1 55 55 ARG CA C 55 54.785 54.785 54.380 0.404 19623 1865 1 6 . 1 1 55 55 ARG CB C 55 30.507 30.507 30.820 -0.312 19623 1866 1 6 . 1 1 55 55 ARG H H 55 7.943 7.943 8.307 -0.364 19623 1867 1 7 . 1 1 2 2 GLY N N 2 113.169 113.169 109.882 3.287 19623 1868 1 7 . 1 1 2 2 GLY C C 2 173.996 173.996 173.960 0.036 19623 1869 1 7 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.062 0.149 19623 1870 1 7 . 1 1 2 2 GLY H H 2 8.533 8.533 8.992 -0.459 19623 1871 1 7 . 1 1 3 3 ASP N N 3 120.717 120.717 120.904 -0.187 19623 1872 1 7 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.543 0.016 19623 1873 1 7 . 1 1 3 3 ASP C C 3 176.675 176.675 175.498 1.177 19623 1874 1 7 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.532 0.957 19623 1875 1 7 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.722 -0.525 19623 1876 1 7 . 1 1 3 3 ASP H H 3 8.412 8.412 7.936 0.476 19623 1877 1 7 . 1 1 4 4 LYS N N 4 121.955 121.955 119.904 2.051 19623 1878 1 7 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.124 0.122 19623 1879 1 7 . 1 1 4 4 LYS C C 4 177.301 177.301 177.014 0.287 19623 1880 1 7 . 1 1 4 4 LYS CA C 4 56.606 56.606 56.823 -0.217 19623 1881 1 7 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.801 -0.365 19623 1882 1 7 . 1 1 4 4 LYS H H 4 8.490 8.490 8.207 0.283 19623 1883 1 7 . 1 1 5 5 GLY N N 5 109.376 109.376 108.687 0.689 19623 1884 1 7 . 1 1 5 5 GLY C C 5 174.045 174.045 174.708 -0.663 19623 1885 1 7 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.767 0.538 19623 1886 1 7 . 1 1 5 5 GLY H H 5 8.491 8.491 8.513 -0.022 19623 1887 1 7 . 1 1 6 6 TYR N N 6 120.416 120.416 120.000 0.416 19623 1888 1 7 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.630 -0.120 19623 1889 1 7 . 1 1 6 6 TYR C C 6 175.952 175.952 176.127 -0.175 19623 1890 1 7 . 1 1 6 6 TYR CA C 6 58.383 58.383 56.470 1.913 19623 1891 1 7 . 1 1 6 6 TYR CB C 6 38.562 38.562 37.274 1.288 19623 1892 1 7 . 1 1 6 6 TYR H H 6 8.134 8.134 8.030 0.104 19623 1893 1 7 . 1 1 7 7 ASN N N 7 122.415 122.415 123.670 -1.255 19623 1894 1 7 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.970 -0.382 19623 1895 1 7 . 1 1 7 7 ASN C C 7 175.521 175.521 176.158 -0.637 19623 1896 1 7 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.522 -0.114 19623 1897 1 7 . 1 1 7 7 ASN CB C 7 38.780 38.780 40.815 -2.035 19623 1898 1 7 . 1 1 7 7 ASN H H 7 8.557 8.557 9.126 -0.569 19623 1899 1 7 . 1 1 8 8 GLY N N 8 109.431 109.431 109.078 0.353 19623 1900 1 7 . 1 1 8 8 GLY C C 8 175.609 175.609 174.973 0.636 19623 1901 1 7 . 1 1 8 8 GLY CA C 8 45.990 45.990 44.400 1.590 19623 1902 1 7 . 1 1 8 8 GLY H H 8 8.285 8.285 8.467 -0.182 19623 1903 1 7 . 1 1 9 9 LEU N N 9 123.596 123.596 122.760 0.836 19623 1904 1 7 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.090 -0.157 19623 1905 1 7 . 1 1 9 9 LEU C C 9 177.458 177.458 178.512 -1.054 19623 1906 1 7 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.742 0.506 19623 1907 1 7 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.651 0.039 19623 1908 1 7 . 1 1 9 9 LEU H H 9 8.136 8.136 8.528 -0.392 19623 1909 1 7 . 1 1 10 10 ALA N N 10 121.310 121.310 121.041 0.269 19623 1910 1 7 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.942 -0.009 19623 1911 1 7 . 1 1 10 10 ALA C C 10 181.140 181.140 179.257 1.883 19623 1912 1 7 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.015 0.490 19623 1913 1 7 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.616 0.175 19623 1914 1 7 . 1 1 10 10 ALA H H 10 8.361 8.361 8.437 -0.076 19623 1915 1 7 . 1 1 11 11 GLU N N 11 118.893 118.893 118.540 0.353 19623 1916 1 7 . 1 1 11 11 GLU HA H 11 3.992 3.992 3.573 0.419 19623 1917 1 7 . 1 1 11 11 GLU C C 11 178.797 178.797 178.671 0.126 19623 1918 1 7 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.100 0.792 19623 1919 1 7 . 1 1 11 11 GLU CB C 11 28.991 28.991 28.972 0.019 19623 1920 1 7 . 1 1 11 11 GLU H H 11 8.490 8.490 8.515 -0.025 19623 1921 1 7 . 1 1 12 12 ALA N N 12 122.362 122.362 122.051 0.311 19623 1922 1 7 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.009 0.071 19623 1923 1 7 . 1 1 12 12 ALA C C 12 181.228 181.228 179.391 1.837 19623 1924 1 7 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.242 -0.024 19623 1925 1 7 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.392 0.070 19623 1926 1 7 . 1 1 12 12 ALA H H 12 8.099 8.099 7.983 0.116 19623 1927 1 7 . 1 1 13 13 LYS N N 13 118.689 118.689 118.916 -0.227 19623 1928 1 7 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.964 -0.344 19623 1929 1 7 . 1 1 13 13 LYS C C 13 177.203 177.203 179.237 -2.034 19623 1930 1 7 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.919 0.471 19623 1931 1 7 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.218 1.406 19623 1932 1 7 . 1 1 13 13 LYS H H 13 8.382 8.382 8.142 0.240 19623 1933 1 7 . 1 1 14 14 GLU N N 14 117.865 117.865 118.896 -1.031 19623 1934 1 7 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.103 0.182 19623 1935 1 7 . 1 1 14 14 GLU C C 14 179.404 179.404 178.984 0.420 19623 1936 1 7 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.246 0.761 19623 1937 1 7 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.244 0.173 19623 1938 1 7 . 1 1 14 14 GLU H H 14 7.952 7.952 7.912 0.040 19623 1939 1 7 . 1 1 15 15 LYS N N 15 119.020 119.020 120.086 -1.066 19623 1940 1 7 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.190 -0.257 19623 1941 1 7 . 1 1 15 15 LYS C C 15 177.976 177.976 178.643 -0.667 19623 1942 1 7 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.457 0.134 19623 1943 1 7 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.640 -0.365 19623 1944 1 7 . 1 1 15 15 LYS H H 15 8.029 8.029 7.742 0.287 19623 1945 1 7 . 1 1 16 16 ALA N N 16 120.410 120.410 122.479 -2.069 19623 1946 1 7 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.143 -0.181 19623 1947 1 7 . 1 1 16 16 ALA C C 16 179.140 179.140 179.859 -0.719 19623 1948 1 7 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.125 0.301 19623 1949 1 7 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.486 -0.076 19623 1950 1 7 . 1 1 16 16 ALA H H 16 7.904 7.904 8.048 -0.144 19623 1951 1 7 . 1 1 17 17 ILE N N 17 117.363 117.363 118.431 -1.068 19623 1952 1 7 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.642 2.208 19623 1953 1 7 . 1 1 17 17 ILE C C 17 177.604 177.604 177.699 -0.095 19623 1954 1 7 . 1 1 17 17 ILE CA C 17 66.545 66.545 64.953 1.592 19623 1955 1 7 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.832 0.011 19623 1956 1 7 . 1 1 17 17 ILE H H 17 8.500 8.500 8.200 0.300 19623 1957 1 7 . 1 1 18 18 LYS N N 18 119.838 119.838 121.068 -1.230 19623 1958 1 7 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.838 0.027 19623 1959 1 7 . 1 1 18 18 LYS C C 18 176.653 176.653 178.782 -2.129 19623 1960 1 7 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.337 -0.148 19623 1961 1 7 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.143 0.117 19623 1962 1 7 . 1 1 18 18 LYS H H 18 7.833 7.833 8.045 -0.212 19623 1963 1 7 . 1 1 19 19 ASP N N 19 120.497 120.497 119.661 0.836 19623 1964 1 7 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.330 0.239 19623 1965 1 7 . 1 1 19 19 ASP C C 19 179.120 179.120 178.993 0.127 19623 1966 1 7 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.177 -0.069 19623 1967 1 7 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.462 0.390 19623 1968 1 7 . 1 1 19 19 ASP H H 19 8.479 8.479 7.969 0.510 19623 1969 1 7 . 1 1 20 20 LEU N N 20 121.660 121.660 120.409 1.251 19623 1970 1 7 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.103 0.045 19623 1971 1 7 . 1 1 20 20 LEU C C 20 178.377 178.377 178.959 -0.582 19623 1972 1 7 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.211 0.014 19623 1973 1 7 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.692 -0.107 19623 1974 1 7 . 1 1 20 20 LEU H H 20 8.136 8.136 7.662 0.474 19623 1975 1 7 . 1 1 21 21 LYS N N 21 120.182 120.182 119.563 0.619 19623 1976 1 7 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.057 -0.153 19623 1977 1 7 . 1 1 21 21 LYS C C 21 179.785 179.785 179.362 0.423 19623 1978 1 7 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.310 0.247 19623 1979 1 7 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.381 -2.726 19623 1980 1 7 . 1 1 21 21 LYS H H 21 8.043 8.043 8.213 -0.170 19623 1981 1 7 . 1 1 22 22 ILE N N 22 121.523 121.523 119.410 2.113 19623 1982 1 7 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.702 -0.180 19623 1983 1 7 . 1 1 22 22 ILE C C 22 177.399 177.399 177.920 -0.521 19623 1984 1 7 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.354 0.509 19623 1985 1 7 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.869 0.177 19623 1986 1 7 . 1 1 22 22 ILE H H 22 8.735 8.735 7.649 1.086 19623 1987 1 7 . 1 1 23 23 TYR N N 23 117.506 117.506 118.468 -0.962 19623 1988 1 7 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.398 0.083 19623 1989 1 7 . 1 1 23 23 TYR C C 23 176.020 176.020 176.830 -0.810 19623 1990 1 7 . 1 1 23 23 TYR CA C 23 58.369 58.369 59.914 -1.545 19623 1991 1 7 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.790 -0.291 19623 1992 1 7 . 1 1 23 23 TYR H H 23 7.291 7.291 7.784 -0.493 19623 1993 1 7 . 1 1 24 24 GLY N N 24 108.209 108.209 105.364 2.845 19623 1994 1 7 . 1 1 24 24 GLY C C 24 174.651 174.651 174.143 0.508 19623 1995 1 7 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.675 1.734 19623 1996 1 7 . 1 1 24 24 GLY H H 24 7.910 7.910 7.683 0.227 19623 1997 1 7 . 1 1 25 25 ILE N N 25 119.897 119.897 121.753 -1.856 19623 1998 1 7 . 1 1 25 25 ILE HA H 25 3.747 3.747 3.981 -0.234 19623 1999 1 7 . 1 1 25 25 ILE C C 25 175.864 175.864 176.352 -0.488 19623 2000 1 7 . 1 1 25 25 ILE CA C 25 60.984 60.984 61.363 -0.379 19623 2001 1 7 . 1 1 25 25 ILE CB C 25 37.120 37.120 38.758 -1.638 19623 2002 1 7 . 1 1 25 25 ILE H H 25 7.383 7.383 7.901 -0.518 19623 2003 1 7 . 1 1 26 26 GLY N N 26 111.580 111.580 115.075 -3.495 19623 2004 1 7 . 1 1 26 26 GLY C C 26 174.847 174.847 175.084 -0.237 19623 2005 1 7 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.444 0.878 19623 2006 1 7 . 1 1 26 26 GLY H H 26 8.811 8.811 8.318 0.493 19623 2007 1 7 . 1 1 27 27 GLU N N 27 120.229 120.229 119.914 0.315 19623 2008 1 7 . 1 1 27 27 GLU C C 27 177.311 177.311 178.543 -1.232 19623 2009 1 7 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.413 0.317 19623 2010 1 7 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.680 0.253 19623 2011 1 7 . 1 1 27 27 GLU H H 27 8.711 8.711 8.945 -0.234 19623 2012 1 7 . 1 1 28 28 HIS N N 28 117.558 117.558 118.404 -0.846 19623 2013 1 7 . 1 1 28 28 HIS C C 28 176.949 176.949 176.143 0.806 19623 2014 1 7 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.123 0.551 19623 2015 1 7 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.359 0.479 19623 2016 1 7 . 1 1 28 28 HIS H H 28 8.870 8.870 8.536 0.334 19623 2017 1 7 . 1 1 29 29 TYR N N 29 115.589 115.589 115.251 0.338 19623 2018 1 7 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.403 -0.313 19623 2019 1 7 . 1 1 29 29 TYR C C 29 177.552 177.552 177.834 -0.282 19623 2020 1 7 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.252 0.746 19623 2021 1 7 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.136 -0.453 19623 2022 1 7 . 1 1 29 29 TYR H H 29 7.227 7.227 7.576 -0.349 19623 2023 1 7 . 1 1 30 30 ILE N N 30 120.353 120.353 121.874 -1.521 19623 2024 1 7 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.560 -0.116 19623 2025 1 7 . 1 1 30 30 ILE C C 30 178.211 178.211 177.467 0.744 19623 2026 1 7 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.502 0.137 19623 2027 1 7 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.595 -0.042 19623 2028 1 7 . 1 1 30 30 ILE H H 30 7.485 7.485 7.813 -0.328 19623 2029 1 7 . 1 1 31 31 LYS N N 31 117.249 117.249 119.337 -2.088 19623 2030 1 7 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.230 -0.219 19623 2031 1 7 . 1 1 31 31 LYS C C 31 178.954 178.954 178.954 0.000 19623 2032 1 7 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.092 -0.199 19623 2033 1 7 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.116 -0.443 19623 2034 1 7 . 1 1 31 31 LYS H H 31 8.064 8.064 7.956 0.108 19623 2035 1 7 . 1 1 32 32 LEU N N 32 117.176 117.176 119.693 -2.517 19623 2036 1 7 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.986 -0.092 19623 2037 1 7 . 1 1 32 32 LEU C C 32 179.883 179.883 179.327 0.556 19623 2038 1 7 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.664 0.323 19623 2039 1 7 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.638 -0.383 19623 2040 1 7 . 1 1 32 32 LEU H H 32 7.154 7.154 7.546 -0.392 19623 2041 1 7 . 1 1 33 33 ILE N N 33 118.598 118.598 118.192 0.406 19623 2042 1 7 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.707 -0.136 19623 2043 1 7 . 1 1 33 33 ILE C C 33 177.917 177.917 178.402 -0.485 19623 2044 1 7 . 1 1 33 33 ILE CA C 33 63.579 63.579 64.420 -0.841 19623 2045 1 7 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.676 -1.974 19623 2046 1 7 . 1 1 33 33 ILE H H 33 7.412 7.412 7.569 -0.157 19623 2047 1 7 . 1 1 34 34 GLU N N 34 116.574 116.574 120.084 -3.510 19623 2048 1 7 . 1 1 34 34 GLU HA H 34 3.826 3.826 3.962 -0.136 19623 2049 1 7 . 1 1 34 34 GLU C C 34 178.661 178.661 178.319 0.342 19623 2050 1 7 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.712 -0.023 19623 2051 1 7 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.370 0.485 19623 2052 1 7 . 1 1 34 34 GLU H H 34 7.987 7.987 7.936 0.051 19623 2053 1 7 . 1 1 35 35 LYS N N 35 114.863 114.863 117.480 -2.617 19623 2054 1 7 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.333 -0.126 19623 2055 1 7 . 1 1 35 35 LYS C C 35 176.861 176.861 175.785 1.076 19623 2056 1 7 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.281 1.047 19623 2057 1 7 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.786 0.221 19623 2058 1 7 . 1 1 35 35 LYS H H 35 7.361 7.361 7.508 -0.147 19623 2059 1 7 . 1 1 36 36 ALA N N 36 124.407 124.407 124.738 -0.331 19623 2060 1 7 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.198 -0.069 19623 2061 1 7 . 1 1 36 36 ALA C C 36 178.279 178.279 177.399 0.880 19623 2062 1 7 . 1 1 36 36 ALA CA C 36 53.257 53.257 53.012 0.245 19623 2063 1 7 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.692 -0.111 19623 2064 1 7 . 1 1 36 36 ALA H H 36 7.365 7.365 7.513 -0.148 19623 2065 1 7 . 1 1 37 37 LYS N N 37 116.217 116.217 119.773 -3.556 19623 2066 1 7 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.272 0.111 19623 2067 1 7 . 1 1 37 37 LYS C C 37 176.167 176.167 175.967 0.200 19623 2068 1 7 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.766 -0.164 19623 2069 1 7 . 1 1 37 37 LYS CB C 37 34.883 34.883 32.663 2.220 19623 2070 1 7 . 1 1 37 37 LYS H H 37 8.908 8.908 8.683 0.225 19623 2071 1 7 . 1 1 38 38 GLN N N 38 113.293 113.293 115.528 -2.235 19623 2072 1 7 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.446 0.367 19623 2073 1 7 . 1 1 38 38 GLN C C 38 176.138 176.138 175.138 1.000 19623 2074 1 7 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.595 -0.478 19623 2075 1 7 . 1 1 38 38 GLN CB C 38 32.222 32.222 30.997 1.225 19623 2076 1 7 . 1 1 38 38 GLN H H 38 7.033 7.033 7.459 -0.426 19623 2077 1 7 . 1 1 39 39 VAL N N 39 125.474 125.474 121.959 3.515 19623 2078 1 7 . 1 1 39 39 VAL C C 39 177.751 177.751 177.556 0.195 19623 2079 1 7 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.018 1.719 19623 2080 1 7 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.832 -0.394 19623 2081 1 7 . 1 1 39 39 VAL H H 39 9.250 9.250 8.801 0.449 19623 2082 1 7 . 1 1 40 40 ALA N N 40 120.717 120.717 122.770 -2.053 19623 2083 1 7 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.081 -0.040 19623 2084 1 7 . 1 1 40 40 ALA C C 40 179.081 179.081 179.343 -0.262 19623 2085 1 7 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.196 -0.137 19623 2086 1 7 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.953 -0.217 19623 2087 1 7 . 1 1 40 40 ALA H H 40 8.903 8.903 8.427 0.476 19623 2088 1 7 . 1 1 41 41 ALA N N 41 116.698 116.698 121.089 -4.391 19623 2089 1 7 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.052 0.184 19623 2090 1 7 . 1 1 41 41 ALA C C 41 180.294 180.294 179.722 0.572 19623 2091 1 7 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.569 0.119 19623 2092 1 7 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.194 0.530 19623 2093 1 7 . 1 1 41 41 ALA H H 41 6.701 6.701 7.433 -0.732 19623 2094 1 7 . 1 1 42 42 VAL N N 42 119.051 119.051 119.061 -0.010 19623 2095 1 7 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.468 -0.190 19623 2096 1 7 . 1 1 42 42 VAL C C 42 176.812 176.812 178.387 -1.575 19623 2097 1 7 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.084 0.557 19623 2098 1 7 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.642 -0.243 19623 2099 1 7 . 1 1 42 42 VAL H H 42 7.552 7.552 8.023 -0.471 19623 2100 1 7 . 1 1 43 43 GLU N N 43 117.715 117.715 119.710 -1.995 19623 2101 1 7 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.013 -0.158 19623 2102 1 7 . 1 1 43 43 GLU C C 43 178.973 178.973 178.895 0.078 19623 2103 1 7 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.889 -0.496 19623 2104 1 7 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.506 -0.695 19623 2105 1 7 . 1 1 43 43 GLU H H 43 7.804 7.804 8.341 -0.537 19623 2106 1 7 . 1 1 44 44 ASP N N 44 119.175 119.175 120.706 -1.531 19623 2107 1 7 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.447 -0.084 19623 2108 1 7 . 1 1 44 44 ASP C C 44 178.211 178.211 178.906 -0.695 19623 2109 1 7 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.247 0.061 19623 2110 1 7 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.570 -0.066 19623 2111 1 7 . 1 1 44 44 ASP H H 44 8.169 8.169 8.097 0.072 19623 2112 1 7 . 1 1 45 45 LEU N N 45 117.848 117.848 120.293 -2.445 19623 2113 1 7 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.959 0.160 19623 2114 1 7 . 1 1 45 45 LEU C C 45 178.416 178.416 178.602 -0.186 19623 2115 1 7 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.793 -0.499 19623 2116 1 7 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.812 -1.337 19623 2117 1 7 . 1 1 45 45 LEU H H 45 8.119 8.119 8.395 -0.276 19623 2118 1 7 . 1 1 46 46 LYS N N 46 119.462 119.462 120.100 -0.638 19623 2119 1 7 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.818 0.154 19623 2120 1 7 . 1 1 46 46 LYS C C 46 177.653 177.653 178.644 -0.991 19623 2121 1 7 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.131 0.145 19623 2122 1 7 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.132 -0.682 19623 2123 1 7 . 1 1 46 46 LYS H H 46 8.483 8.483 8.080 0.403 19623 2124 1 7 . 1 1 47 47 ASP N N 47 117.470 117.470 119.263 -1.793 19623 2125 1 7 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.397 -0.053 19623 2126 1 7 . 1 1 47 47 ASP C C 47 179.384 179.384 178.956 0.428 19623 2127 1 7 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.358 0.329 19623 2128 1 7 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.279 0.530 19623 2129 1 7 . 1 1 47 47 ASP H H 47 7.846 7.846 8.056 -0.210 19623 2130 1 7 . 1 1 48 48 GLU N N 48 119.662 119.662 119.944 -0.282 19623 2131 1 7 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.088 -0.077 19623 2132 1 7 . 1 1 48 48 GLU C C 48 180.724 180.724 179.372 1.352 19623 2133 1 7 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.784 1.307 19623 2134 1 7 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.436 2.555 19623 2135 1 7 . 1 1 48 48 GLU H H 48 8.327 8.327 7.856 0.471 19623 2136 1 7 . 1 1 49 49 ILE N N 49 120.308 120.308 120.536 -0.228 19623 2137 1 7 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.585 0.153 19623 2138 1 7 . 1 1 49 49 ILE C C 49 179.238 179.238 178.021 1.217 19623 2139 1 7 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.084 -0.492 19623 2140 1 7 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.888 0.071 19623 2141 1 7 . 1 1 49 49 ILE H H 49 7.667 7.667 8.547 -0.880 19623 2142 1 7 . 1 1 50 50 LEU N N 50 121.274 121.274 121.054 0.220 19623 2143 1 7 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.904 0.655 19623 2144 1 7 . 1 1 50 50 LEU C C 50 179.971 179.971 178.011 1.960 19623 2145 1 7 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.889 -0.095 19623 2146 1 7 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.332 -0.476 19623 2147 1 7 . 1 1 50 50 LEU H H 50 8.474 8.474 7.910 0.564 19623 2148 1 7 . 1 1 51 51 LYS N N 51 119.972 119.972 119.014 0.958 19623 2149 1 7 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.849 0.133 19623 2150 1 7 . 1 1 51 51 LYS C C 51 179.189 179.189 178.979 0.210 19623 2151 1 7 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.584 -0.058 19623 2152 1 7 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.138 0.037 19623 2153 1 7 . 1 1 51 51 LYS H H 51 8.197 8.197 8.133 0.064 19623 2154 1 7 . 1 1 52 52 ALA N N 52 121.059 121.059 120.399 0.660 19623 2155 1 7 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.034 0.124 19623 2156 1 7 . 1 1 52 52 ALA C C 52 178.015 178.015 179.823 -1.808 19623 2157 1 7 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.583 -0.921 19623 2158 1 7 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.073 -0.170 19623 2159 1 7 . 1 1 52 52 ALA H H 52 7.809 7.809 7.600 0.209 19623 2160 1 7 . 1 1 53 53 HIS N N 53 115.943 115.943 117.276 -1.333 19623 2161 1 7 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.061 0.312 19623 2162 1 7 . 1 1 53 53 HIS C C 53 174.015 174.015 176.088 -2.073 19623 2163 1 7 . 1 1 53 53 HIS CA C 53 57.409 57.409 58.590 -1.181 19623 2164 1 7 . 1 1 53 53 HIS CB C 53 29.010 29.010 29.669 -0.659 19623 2165 1 7 . 1 1 53 53 HIS H H 53 7.598 7.598 7.885 -0.287 19623 2166 1 7 . 1 1 54 54 ASP N N 54 119.133 119.133 116.784 2.349 19623 2167 1 7 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.417 0.025 19623 2168 1 7 . 1 1 54 54 ASP C C 54 175.609 175.609 175.572 0.037 19623 2169 1 7 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.278 -0.307 19623 2170 1 7 . 1 1 54 54 ASP CB C 54 40.209 40.209 41.016 -0.807 19623 2171 1 7 . 1 1 54 54 ASP H H 54 7.974 7.974 7.913 0.061 19623 2172 1 7 . 1 1 55 55 ARG N N 55 118.206 118.206 120.888 -2.682 19623 2173 1 7 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.154 0.170 19623 2174 1 7 . 1 1 55 55 ARG C C 55 174.671 174.671 174.623 0.048 19623 2175 1 7 . 1 1 55 55 ARG CA C 55 54.785 54.785 56.334 -1.549 19623 2176 1 7 . 1 1 55 55 ARG CB C 55 30.507 30.507 29.974 0.532 19623 2177 1 7 . 1 1 55 55 ARG H H 55 7.943 7.943 6.884 1.059 19623 2178 1 8 . 1 1 2 2 GLY N N 2 113.169 113.169 111.180 1.989 19623 2179 1 8 . 1 1 2 2 GLY C C 2 173.996 173.996 173.819 0.177 19623 2180 1 8 . 1 1 2 2 GLY CA C 2 45.211 45.211 44.755 0.455 19623 2181 1 8 . 1 1 2 2 GLY H H 2 8.533 8.533 7.417 1.116 19623 2182 1 8 . 1 1 3 3 ASP N N 3 120.717 120.717 119.987 0.730 19623 2183 1 8 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.654 -0.095 19623 2184 1 8 . 1 1 3 3 ASP C C 3 176.675 176.675 176.373 0.302 19623 2185 1 8 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.395 1.094 19623 2186 1 8 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.417 -0.220 19623 2187 1 8 . 1 1 3 3 ASP H H 3 8.412 8.412 7.688 0.724 19623 2188 1 8 . 1 1 4 4 LYS N N 4 121.955 121.955 121.771 0.184 19623 2189 1 8 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.006 0.240 19623 2190 1 8 . 1 1 4 4 LYS C C 4 177.301 177.301 177.288 0.013 19623 2191 1 8 . 1 1 4 4 LYS CA C 4 56.606 56.606 58.270 -1.664 19623 2192 1 8 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.001 0.435 19623 2193 1 8 . 1 1 4 4 LYS H H 4 8.490 8.490 8.481 0.009 19623 2194 1 8 . 1 1 5 5 GLY N N 5 109.376 109.376 113.375 -3.999 19623 2195 1 8 . 1 1 5 5 GLY C C 5 174.045 174.045 174.310 -0.265 19623 2196 1 8 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.865 0.440 19623 2197 1 8 . 1 1 5 5 GLY H H 5 8.491 8.491 8.652 -0.161 19623 2198 1 8 . 1 1 6 6 TYR N N 6 120.416 120.416 122.270 -1.854 19623 2199 1 8 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.282 0.228 19623 2200 1 8 . 1 1 6 6 TYR C C 6 175.952 175.952 175.052 0.900 19623 2201 1 8 . 1 1 6 6 TYR CA C 6 58.383 58.383 58.929 -0.546 19623 2202 1 8 . 1 1 6 6 TYR CB C 6 38.562 38.562 38.685 -0.123 19623 2203 1 8 . 1 1 6 6 TYR H H 6 8.134 8.134 8.032 0.102 19623 2204 1 8 . 1 1 7 7 ASN N N 7 122.415 122.415 125.551 -3.136 19623 2205 1 8 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.580 0.008 19623 2206 1 8 . 1 1 7 7 ASN C C 7 175.521 175.521 175.039 0.482 19623 2207 1 8 . 1 1 7 7 ASN CA C 7 53.408 53.408 52.710 0.698 19623 2208 1 8 . 1 1 7 7 ASN CB C 7 38.780 38.780 39.583 -0.803 19623 2209 1 8 . 1 1 7 7 ASN H H 7 8.557 8.557 7.896 0.661 19623 2210 1 8 . 1 1 8 8 GLY N N 8 109.431 109.431 106.949 2.482 19623 2211 1 8 . 1 1 8 8 GLY C C 8 175.609 175.609 175.330 0.279 19623 2212 1 8 . 1 1 8 8 GLY CA C 8 45.990 45.990 44.365 1.625 19623 2213 1 8 . 1 1 8 8 GLY H H 8 8.285 8.285 8.550 -0.265 19623 2214 1 8 . 1 1 9 9 LEU N N 9 123.596 123.596 124.180 -0.584 19623 2215 1 8 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.045 -0.112 19623 2216 1 8 . 1 1 9 9 LEU C C 9 177.458 177.458 178.553 -1.095 19623 2217 1 8 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.832 0.416 19623 2218 1 8 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.774 -0.084 19623 2219 1 8 . 1 1 9 9 LEU H H 9 8.136 8.136 8.590 -0.454 19623 2220 1 8 . 1 1 10 10 ALA N N 10 121.310 121.310 120.677 0.633 19623 2221 1 8 . 1 1 10 10 ALA HA H 10 3.933 3.933 4.108 -0.175 19623 2222 1 8 . 1 1 10 10 ALA C C 10 181.140 181.140 179.552 1.588 19623 2223 1 8 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.026 0.478 19623 2224 1 8 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.581 0.210 19623 2225 1 8 . 1 1 10 10 ALA H H 10 8.361 8.361 8.376 -0.015 19623 2226 1 8 . 1 1 11 11 GLU N N 11 118.893 118.893 119.571 -0.678 19623 2227 1 8 . 1 1 11 11 GLU HA H 11 3.992 3.992 3.999 -0.007 19623 2228 1 8 . 1 1 11 11 GLU C C 11 178.797 178.797 179.162 -0.365 19623 2229 1 8 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.502 0.390 19623 2230 1 8 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.383 -0.392 19623 2231 1 8 . 1 1 11 11 GLU H H 11 8.490 8.490 8.491 -0.001 19623 2232 1 8 . 1 1 12 12 ALA N N 12 122.362 122.362 122.216 0.146 19623 2233 1 8 . 1 1 12 12 ALA HA H 12 4.080 4.080 3.910 0.170 19623 2234 1 8 . 1 1 12 12 ALA C C 12 181.228 181.228 179.451 1.777 19623 2235 1 8 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.338 -0.120 19623 2236 1 8 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.391 0.071 19623 2237 1 8 . 1 1 12 12 ALA H H 12 8.099 8.099 8.109 -0.010 19623 2238 1 8 . 1 1 13 13 LYS N N 13 118.689 118.689 118.504 0.185 19623 2239 1 8 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.975 -0.355 19623 2240 1 8 . 1 1 13 13 LYS C C 13 177.203 177.203 178.660 -1.457 19623 2241 1 8 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.798 0.592 19623 2242 1 8 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.325 1.299 19623 2243 1 8 . 1 1 13 13 LYS H H 13 8.382 8.382 8.090 0.292 19623 2244 1 8 . 1 1 14 14 GLU N N 14 117.865 117.865 120.418 -2.553 19623 2245 1 8 . 1 1 14 14 GLU HA H 14 4.285 4.285 3.996 0.289 19623 2246 1 8 . 1 1 14 14 GLU C C 14 179.404 179.404 178.869 0.535 19623 2247 1 8 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.722 0.284 19623 2248 1 8 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.504 -0.086 19623 2249 1 8 . 1 1 14 14 GLU H H 14 7.952 7.952 8.185 -0.233 19623 2250 1 8 . 1 1 15 15 LYS N N 15 119.020 119.020 118.560 0.460 19623 2251 1 8 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.112 -0.179 19623 2252 1 8 . 1 1 15 15 LYS C C 15 177.976 177.976 178.928 -0.952 19623 2253 1 8 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.088 0.503 19623 2254 1 8 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.448 -0.173 19623 2255 1 8 . 1 1 15 15 LYS H H 15 8.029 8.029 7.530 0.499 19623 2256 1 8 . 1 1 16 16 ALA N N 16 120.410 120.410 123.298 -2.888 19623 2257 1 8 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.122 -0.160 19623 2258 1 8 . 1 1 16 16 ALA C C 16 179.140 179.140 179.446 -0.306 19623 2259 1 8 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.062 0.364 19623 2260 1 8 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.478 -0.068 19623 2261 1 8 . 1 1 16 16 ALA H H 16 7.904 7.904 8.132 -0.228 19623 2262 1 8 . 1 1 17 17 ILE N N 17 117.363 117.363 118.902 -1.539 19623 2263 1 8 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.560 2.290 19623 2264 1 8 . 1 1 17 17 ILE C C 17 177.604 177.604 177.723 -0.119 19623 2265 1 8 . 1 1 17 17 ILE CA C 17 66.545 66.545 65.213 1.332 19623 2266 1 8 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.733 0.110 19623 2267 1 8 . 1 1 17 17 ILE H H 17 8.500 8.500 8.279 0.221 19623 2268 1 8 . 1 1 18 18 LYS N N 18 119.838 119.838 120.722 -0.884 19623 2269 1 8 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.785 0.080 19623 2270 1 8 . 1 1 18 18 LYS C C 18 176.653 176.653 178.653 -2.000 19623 2271 1 8 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.263 -0.074 19623 2272 1 8 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.070 0.190 19623 2273 1 8 . 1 1 18 18 LYS H H 18 7.833 7.833 7.749 0.084 19623 2274 1 8 . 1 1 19 19 ASP N N 19 120.497 120.497 119.983 0.514 19623 2275 1 8 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.051 0.518 19623 2276 1 8 . 1 1 19 19 ASP C C 19 179.120 179.120 178.410 0.710 19623 2277 1 8 . 1 1 19 19 ASP CA C 19 57.108 57.108 56.769 0.340 19623 2278 1 8 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.196 0.657 19623 2279 1 8 . 1 1 19 19 ASP H H 19 8.479 8.479 7.843 0.636 19623 2280 1 8 . 1 1 20 20 LEU N N 20 121.660 121.660 120.312 1.348 19623 2281 1 8 . 1 1 20 20 LEU HA H 20 4.148 4.148 3.826 0.322 19623 2282 1 8 . 1 1 20 20 LEU C C 20 178.377 178.377 178.851 -0.474 19623 2283 1 8 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.252 -0.027 19623 2284 1 8 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.644 -0.059 19623 2285 1 8 . 1 1 20 20 LEU H H 20 8.136 8.136 8.260 -0.124 19623 2286 1 8 . 1 1 21 21 LYS N N 21 120.182 120.182 119.111 1.071 19623 2287 1 8 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.029 -0.125 19623 2288 1 8 . 1 1 21 21 LYS C C 21 179.785 179.785 179.280 0.505 19623 2289 1 8 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.201 0.356 19623 2290 1 8 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.404 -2.749 19623 2291 1 8 . 1 1 21 21 LYS H H 21 8.043 8.043 8.099 -0.056 19623 2292 1 8 . 1 1 22 22 ILE N N 22 121.523 121.523 119.083 2.440 19623 2293 1 8 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.728 -0.206 19623 2294 1 8 . 1 1 22 22 ILE C C 22 177.399 177.399 177.966 -0.567 19623 2295 1 8 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.258 0.605 19623 2296 1 8 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.939 0.107 19623 2297 1 8 . 1 1 22 22 ILE H H 22 8.735 8.735 7.628 1.107 19623 2298 1 8 . 1 1 23 23 TYR N N 23 117.506 117.506 118.088 -0.582 19623 2299 1 8 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.478 0.003 19623 2300 1 8 . 1 1 23 23 TYR C C 23 176.020 176.020 176.462 -0.442 19623 2301 1 8 . 1 1 23 23 TYR CA C 23 58.369 58.369 57.094 1.275 19623 2302 1 8 . 1 1 23 23 TYR CB C 23 38.499 38.499 37.793 0.706 19623 2303 1 8 . 1 1 23 23 TYR H H 23 7.291 7.291 7.800 -0.509 19623 2304 1 8 . 1 1 24 24 GLY N N 24 108.209 108.209 106.483 1.726 19623 2305 1 8 . 1 1 24 24 GLY C C 24 174.651 174.651 174.387 0.264 19623 2306 1 8 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.866 1.543 19623 2307 1 8 . 1 1 24 24 GLY H H 24 7.910 7.910 7.390 0.520 19623 2308 1 8 . 1 1 25 25 ILE N N 25 119.897 119.897 122.286 -2.389 19623 2309 1 8 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.030 -0.283 19623 2310 1 8 . 1 1 25 25 ILE C C 25 175.864 175.864 176.626 -0.762 19623 2311 1 8 . 1 1 25 25 ILE CA C 25 60.984 60.984 59.730 1.254 19623 2312 1 8 . 1 1 25 25 ILE CB C 25 37.120 37.120 37.735 -0.615 19623 2313 1 8 . 1 1 25 25 ILE H H 25 7.383 7.383 8.132 -0.749 19623 2314 1 8 . 1 1 26 26 GLY N N 26 111.580 111.580 114.770 -3.190 19623 2315 1 8 . 1 1 26 26 GLY C C 26 174.847 174.847 175.182 -0.335 19623 2316 1 8 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.372 0.950 19623 2317 1 8 . 1 1 26 26 GLY H H 26 8.811 8.811 8.406 0.405 19623 2318 1 8 . 1 1 27 27 GLU N N 27 120.229 120.229 121.352 -1.123 19623 2319 1 8 . 1 1 27 27 GLU C C 27 177.311 177.311 178.221 -0.910 19623 2320 1 8 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.660 0.070 19623 2321 1 8 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.837 0.096 19623 2322 1 8 . 1 1 27 27 GLU H H 27 8.711 8.711 8.977 -0.266 19623 2323 1 8 . 1 1 28 28 HIS N N 28 117.558 117.558 117.376 0.182 19623 2324 1 8 . 1 1 28 28 HIS C C 28 176.949 176.949 176.987 -0.038 19623 2325 1 8 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.427 0.247 19623 2326 1 8 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.510 0.328 19623 2327 1 8 . 1 1 28 28 HIS H H 28 8.870 8.870 8.675 0.195 19623 2328 1 8 . 1 1 29 29 TYR N N 29 115.589 115.589 116.476 -0.887 19623 2329 1 8 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.343 -0.253 19623 2330 1 8 . 1 1 29 29 TYR C C 29 177.552 177.552 177.700 -0.148 19623 2331 1 8 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.996 0.002 19623 2332 1 8 . 1 1 29 29 TYR CB C 29 38.683 38.683 38.885 -0.202 19623 2333 1 8 . 1 1 29 29 TYR H H 29 7.227 7.227 7.736 -0.509 19623 2334 1 8 . 1 1 30 30 ILE N N 30 120.353 120.353 120.538 -0.185 19623 2335 1 8 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.603 -0.159 19623 2336 1 8 . 1 1 30 30 ILE C C 30 178.211 178.211 177.792 0.419 19623 2337 1 8 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.210 0.430 19623 2338 1 8 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.690 -0.137 19623 2339 1 8 . 1 1 30 30 ILE H H 30 7.485 7.485 8.078 -0.593 19623 2340 1 8 . 1 1 31 31 LYS N N 31 117.249 117.249 117.870 -0.621 19623 2341 1 8 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.221 -0.209 19623 2342 1 8 . 1 1 31 31 LYS C C 31 178.954 178.954 178.181 0.773 19623 2343 1 8 . 1 1 31 31 LYS CA C 31 58.893 58.893 58.829 0.064 19623 2344 1 8 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.115 -0.443 19623 2345 1 8 . 1 1 31 31 LYS H H 31 8.064 8.064 8.060 0.004 19623 2346 1 8 . 1 1 32 32 LEU N N 32 117.176 117.176 120.220 -3.044 19623 2347 1 8 . 1 1 32 32 LEU HA H 32 3.894 3.894 4.043 -0.149 19623 2348 1 8 . 1 1 32 32 LEU C C 32 179.883 179.883 178.479 1.404 19623 2349 1 8 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.583 0.404 19623 2350 1 8 . 1 1 32 32 LEU CB C 32 41.255 41.255 42.066 -0.811 19623 2351 1 8 . 1 1 32 32 LEU H H 32 7.154 7.154 7.358 -0.204 19623 2352 1 8 . 1 1 33 33 ILE N N 33 118.598 118.598 118.611 -0.013 19623 2353 1 8 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.756 -0.185 19623 2354 1 8 . 1 1 33 33 ILE C C 33 177.917 177.917 177.679 0.238 19623 2355 1 8 . 1 1 33 33 ILE CA C 33 63.579 63.579 63.883 -0.304 19623 2356 1 8 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.717 -2.015 19623 2357 1 8 . 1 1 33 33 ILE H H 33 7.412 7.412 7.569 -0.157 19623 2358 1 8 . 1 1 34 34 GLU N N 34 116.574 116.574 119.770 -3.196 19623 2359 1 8 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.107 -0.281 19623 2360 1 8 . 1 1 34 34 GLU C C 34 178.661 178.661 178.077 0.584 19623 2361 1 8 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.031 0.658 19623 2362 1 8 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.340 0.515 19623 2363 1 8 . 1 1 34 34 GLU H H 34 7.987 7.987 7.851 0.136 19623 2364 1 8 . 1 1 35 35 LYS N N 35 114.863 114.863 118.715 -3.852 19623 2365 1 8 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.288 -0.081 19623 2366 1 8 . 1 1 35 35 LYS C C 35 176.861 176.861 175.943 0.918 19623 2367 1 8 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.444 0.884 19623 2368 1 8 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.683 0.324 19623 2369 1 8 . 1 1 35 35 LYS H H 35 7.361 7.361 7.758 -0.397 19623 2370 1 8 . 1 1 36 36 ALA N N 36 124.407 124.407 124.452 -0.045 19623 2371 1 8 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.270 -0.141 19623 2372 1 8 . 1 1 36 36 ALA C C 36 178.279 178.279 177.612 0.667 19623 2373 1 8 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.946 0.311 19623 2374 1 8 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.723 -0.142 19623 2375 1 8 . 1 1 36 36 ALA H H 36 7.365 7.365 7.401 -0.036 19623 2376 1 8 . 1 1 37 37 LYS N N 37 116.217 116.217 119.737 -3.520 19623 2377 1 8 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.402 -0.019 19623 2378 1 8 . 1 1 37 37 LYS C C 37 176.167 176.167 176.463 -0.296 19623 2379 1 8 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.950 -0.348 19623 2380 1 8 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.453 1.430 19623 2381 1 8 . 1 1 37 37 LYS H H 37 8.908 8.908 8.676 0.232 19623 2382 1 8 . 1 1 38 38 GLN N N 38 113.293 113.293 116.614 -3.321 19623 2383 1 8 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.811 0.002 19623 2384 1 8 . 1 1 38 38 GLN C C 38 176.138 176.138 177.094 -0.956 19623 2385 1 8 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.070 0.047 19623 2386 1 8 . 1 1 38 38 GLN CB C 38 32.222 32.222 32.478 -0.256 19623 2387 1 8 . 1 1 38 38 GLN H H 38 7.033 7.033 7.651 -0.618 19623 2388 1 8 . 1 1 39 39 VAL N N 39 125.474 125.474 122.394 3.080 19623 2389 1 8 . 1 1 39 39 VAL C C 39 177.751 177.751 177.390 0.361 19623 2390 1 8 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.898 0.839 19623 2391 1 8 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.729 -0.291 19623 2392 1 8 . 1 1 39 39 VAL H H 39 9.250 9.250 8.847 0.403 19623 2393 1 8 . 1 1 40 40 ALA N N 40 120.717 120.717 122.262 -1.545 19623 2394 1 8 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.029 0.012 19623 2395 1 8 . 1 1 40 40 ALA C C 40 179.081 179.081 179.039 0.042 19623 2396 1 8 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.284 -0.225 19623 2397 1 8 . 1 1 40 40 ALA CB C 40 17.735 17.735 18.135 -0.400 19623 2398 1 8 . 1 1 40 40 ALA H H 40 8.903 8.903 8.652 0.251 19623 2399 1 8 . 1 1 41 41 ALA N N 41 116.698 116.698 120.470 -3.772 19623 2400 1 8 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.066 0.170 19623 2401 1 8 . 1 1 41 41 ALA C C 41 180.294 180.294 179.658 0.636 19623 2402 1 8 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.519 0.169 19623 2403 1 8 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.121 0.603 19623 2404 1 8 . 1 1 41 41 ALA H H 41 6.701 6.701 7.981 -1.280 19623 2405 1 8 . 1 1 42 42 VAL N N 42 119.051 119.051 119.408 -0.357 19623 2406 1 8 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.505 -0.227 19623 2407 1 8 . 1 1 42 42 VAL C C 42 176.812 176.812 178.378 -1.566 19623 2408 1 8 . 1 1 42 42 VAL CA C 42 67.641 67.641 66.967 0.674 19623 2409 1 8 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.713 -0.314 19623 2410 1 8 . 1 1 42 42 VAL H H 42 7.552 7.552 8.276 -0.724 19623 2411 1 8 . 1 1 43 43 GLU N N 43 117.715 117.715 119.408 -1.693 19623 2412 1 8 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.019 -0.164 19623 2413 1 8 . 1 1 43 43 GLU C C 43 178.973 178.973 178.997 -0.024 19623 2414 1 8 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.784 -0.391 19623 2415 1 8 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.381 -0.570 19623 2416 1 8 . 1 1 43 43 GLU H H 43 7.804 7.804 8.008 -0.204 19623 2417 1 8 . 1 1 44 44 ASP N N 44 119.175 119.175 120.759 -1.584 19623 2418 1 8 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.449 -0.086 19623 2419 1 8 . 1 1 44 44 ASP C C 44 178.211 178.211 178.854 -0.643 19623 2420 1 8 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.282 0.026 19623 2421 1 8 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.600 -0.096 19623 2422 1 8 . 1 1 44 44 ASP H H 44 8.169 8.169 8.245 -0.076 19623 2423 1 8 . 1 1 45 45 LEU N N 45 117.848 117.848 120.088 -2.240 19623 2424 1 8 . 1 1 45 45 LEU HA H 45 4.119 4.119 4.038 0.081 19623 2425 1 8 . 1 1 45 45 LEU C C 45 178.416 178.416 178.707 -0.291 19623 2426 1 8 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.406 -0.112 19623 2427 1 8 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.800 -1.327 19623 2428 1 8 . 1 1 45 45 LEU H H 45 8.119 8.119 8.380 -0.261 19623 2429 1 8 . 1 1 46 46 LYS N N 46 119.462 119.462 120.494 -1.032 19623 2430 1 8 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.938 0.034 19623 2431 1 8 . 1 1 46 46 LYS C C 46 177.653 177.653 178.936 -1.283 19623 2432 1 8 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.141 0.135 19623 2433 1 8 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.244 -0.794 19623 2434 1 8 . 1 1 46 46 LYS H H 46 8.483 8.483 8.292 0.191 19623 2435 1 8 . 1 1 47 47 ASP N N 47 117.470 117.470 119.162 -1.692 19623 2436 1 8 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.598 -0.254 19623 2437 1 8 . 1 1 47 47 ASP C C 47 179.384 179.384 178.838 0.546 19623 2438 1 8 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.224 0.463 19623 2439 1 8 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.262 0.547 19623 2440 1 8 . 1 1 47 47 ASP H H 47 7.846 7.846 7.992 -0.146 19623 2441 1 8 . 1 1 48 48 GLU N N 48 119.662 119.662 120.109 -0.447 19623 2442 1 8 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.035 -0.024 19623 2443 1 8 . 1 1 48 48 GLU C C 48 180.724 180.724 179.335 1.389 19623 2444 1 8 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.827 1.264 19623 2445 1 8 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.376 2.615 19623 2446 1 8 . 1 1 48 48 GLU H H 48 8.327 8.327 7.840 0.487 19623 2447 1 8 . 1 1 49 49 ILE N N 49 120.308 120.308 120.517 -0.209 19623 2448 1 8 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.813 -0.075 19623 2449 1 8 . 1 1 49 49 ILE C C 49 179.238 179.238 178.242 0.996 19623 2450 1 8 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.301 -0.709 19623 2451 1 8 . 1 1 49 49 ILE CB C 49 37.959 37.959 38.019 -0.060 19623 2452 1 8 . 1 1 49 49 ILE H H 49 7.667 7.667 8.381 -0.714 19623 2453 1 8 . 1 1 50 50 LEU N N 50 121.274 121.274 119.955 1.319 19623 2454 1 8 . 1 1 50 50 LEU HA H 50 4.559 4.559 4.088 0.471 19623 2455 1 8 . 1 1 50 50 LEU C C 50 179.971 179.971 179.238 0.733 19623 2456 1 8 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.872 -0.078 19623 2457 1 8 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.740 -0.884 19623 2458 1 8 . 1 1 50 50 LEU H H 50 8.474 8.474 7.555 0.919 19623 2459 1 8 . 1 1 51 51 LYS N N 51 119.972 119.972 119.212 0.760 19623 2460 1 8 . 1 1 51 51 LYS HA H 51 3.982 3.982 4.087 -0.105 19623 2461 1 8 . 1 1 51 51 LYS C C 51 179.189 179.189 179.476 -0.287 19623 2462 1 8 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.434 0.092 19623 2463 1 8 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.029 0.146 19623 2464 1 8 . 1 1 51 51 LYS H H 51 8.197 8.197 8.275 -0.078 19623 2465 1 8 . 1 1 52 52 ALA N N 52 121.059 121.059 121.194 -0.135 19623 2466 1 8 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.123 0.035 19623 2467 1 8 . 1 1 52 52 ALA C C 52 178.015 178.015 178.089 -0.074 19623 2468 1 8 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.222 -0.560 19623 2469 1 8 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.660 -0.757 19623 2470 1 8 . 1 1 52 52 ALA H H 52 7.809 7.809 7.849 -0.040 19623 2471 1 8 . 1 1 53 53 HIS N N 53 115.943 115.943 115.135 0.808 19623 2472 1 8 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.551 -0.178 19623 2473 1 8 . 1 1 53 53 HIS C C 53 174.015 174.015 175.052 -1.037 19623 2474 1 8 . 1 1 53 53 HIS CA C 53 57.409 57.409 56.240 1.169 19623 2475 1 8 . 1 1 53 53 HIS CB C 53 29.010 29.010 29.662 -0.652 19623 2476 1 8 . 1 1 53 53 HIS H H 53 7.598 7.598 7.523 0.075 19623 2477 1 8 . 1 1 54 54 ASP N N 54 119.133 119.133 117.303 1.830 19623 2478 1 8 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.300 0.142 19623 2479 1 8 . 1 1 54 54 ASP C C 54 175.609 175.609 176.062 -0.453 19623 2480 1 8 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.814 -0.843 19623 2481 1 8 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.112 1.097 19623 2482 1 8 . 1 1 54 54 ASP H H 54 7.974 7.974 7.984 -0.010 19623 2483 1 8 . 1 1 55 55 ARG N N 55 118.206 118.206 116.225 1.981 19623 2484 1 8 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.562 -0.238 19623 2485 1 8 . 1 1 55 55 ARG C C 55 174.671 174.671 175.292 -0.621 19623 2486 1 8 . 1 1 55 55 ARG CA C 55 54.785 54.785 54.561 0.224 19623 2487 1 8 . 1 1 55 55 ARG CB C 55 30.507 30.507 31.045 -0.538 19623 2488 1 8 . 1 1 55 55 ARG H H 55 7.943 7.943 8.267 -0.324 19623 2489 1 9 . 1 1 2 2 GLY N N 2 113.169 113.169 111.643 1.526 19623 2490 1 9 . 1 1 2 2 GLY C C 2 173.996 173.996 174.249 -0.253 19623 2491 1 9 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.389 -0.178 19623 2492 1 9 . 1 1 2 2 GLY H H 2 8.533 8.533 8.579 -0.046 19623 2493 1 9 . 1 1 3 3 ASP N N 3 120.717 120.717 118.849 1.868 19623 2494 1 9 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.667 -0.108 19623 2495 1 9 . 1 1 3 3 ASP C C 3 176.675 176.675 177.527 -0.852 19623 2496 1 9 . 1 1 3 3 ASP CA C 3 54.489 54.489 54.637 -0.148 19623 2497 1 9 . 1 1 3 3 ASP CB C 3 41.197 41.197 40.919 0.278 19623 2498 1 9 . 1 1 3 3 ASP H H 3 8.412 8.412 8.883 -0.471 19623 2499 1 9 . 1 1 4 4 LYS N N 4 121.955 121.955 119.585 2.370 19623 2500 1 9 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.382 -0.136 19623 2501 1 9 . 1 1 4 4 LYS C C 4 177.301 177.301 176.440 0.861 19623 2502 1 9 . 1 1 4 4 LYS CA C 4 56.606 56.606 56.052 0.554 19623 2503 1 9 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.740 -0.305 19623 2504 1 9 . 1 1 4 4 LYS H H 4 8.490 8.490 8.063 0.427 19623 2505 1 9 . 1 1 5 5 GLY N N 5 109.376 109.376 107.096 2.280 19623 2506 1 9 . 1 1 5 5 GLY C C 5 174.045 174.045 174.012 0.033 19623 2507 1 9 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.849 0.456 19623 2508 1 9 . 1 1 5 5 GLY H H 5 8.491 8.491 8.094 0.397 19623 2509 1 9 . 1 1 6 6 TYR N N 6 120.416 120.416 119.205 1.211 19623 2510 1 9 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.415 0.095 19623 2511 1 9 . 1 1 6 6 TYR C C 6 175.952 175.952 176.487 -0.535 19623 2512 1 9 . 1 1 6 6 TYR CA C 6 58.383 58.383 56.334 2.049 19623 2513 1 9 . 1 1 6 6 TYR CB C 6 38.562 38.562 39.164 -0.602 19623 2514 1 9 . 1 1 6 6 TYR H H 6 8.134 8.134 8.015 0.119 19623 2515 1 9 . 1 1 7 7 ASN N N 7 122.415 122.415 123.434 -1.019 19623 2516 1 9 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.625 -0.037 19623 2517 1 9 . 1 1 7 7 ASN C C 7 175.521 175.521 177.868 -2.347 19623 2518 1 9 . 1 1 7 7 ASN CA C 7 53.408 53.408 55.244 -1.836 19623 2519 1 9 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.248 0.532 19623 2520 1 9 . 1 1 7 7 ASN H H 7 8.557 8.557 9.014 -0.457 19623 2521 1 9 . 1 1 8 8 GLY N N 8 109.431 109.431 108.800 0.631 19623 2522 1 9 . 1 1 8 8 GLY C C 8 175.609 175.609 176.442 -0.833 19623 2523 1 9 . 1 1 8 8 GLY CA C 8 45.990 45.990 46.948 -0.958 19623 2524 1 9 . 1 1 8 8 GLY H H 8 8.285 8.285 8.799 -0.514 19623 2525 1 9 . 1 1 9 9 LEU N N 9 123.596 123.596 123.325 0.271 19623 2526 1 9 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.087 -0.154 19623 2527 1 9 . 1 1 9 9 LEU C C 9 177.458 177.458 178.177 -0.719 19623 2528 1 9 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.486 0.762 19623 2529 1 9 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.725 -0.035 19623 2530 1 9 . 1 1 9 9 LEU H H 9 8.136 8.136 7.393 0.743 19623 2531 1 9 . 1 1 10 10 ALA N N 10 121.310 121.310 121.097 0.213 19623 2532 1 9 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.931 0.002 19623 2533 1 9 . 1 1 10 10 ALA C C 10 181.140 181.140 179.906 1.234 19623 2534 1 9 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.288 0.217 19623 2535 1 9 . 1 1 10 10 ALA CB C 10 17.791 17.791 18.056 -0.265 19623 2536 1 9 . 1 1 10 10 ALA H H 10 8.361 8.361 7.690 0.671 19623 2537 1 9 . 1 1 11 11 GLU N N 11 118.893 118.893 119.195 -0.302 19623 2538 1 9 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.211 -0.219 19623 2539 1 9 . 1 1 11 11 GLU C C 11 178.797 178.797 179.054 -0.257 19623 2540 1 9 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.171 0.721 19623 2541 1 9 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.707 -0.716 19623 2542 1 9 . 1 1 11 11 GLU H H 11 8.490 8.490 8.266 0.224 19623 2543 1 9 . 1 1 12 12 ALA N N 12 122.362 122.362 122.426 -0.064 19623 2544 1 9 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.067 0.013 19623 2545 1 9 . 1 1 12 12 ALA C C 12 181.228 181.228 179.621 1.607 19623 2546 1 9 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.224 -0.006 19623 2547 1 9 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.263 0.199 19623 2548 1 9 . 1 1 12 12 ALA H H 12 8.099 8.099 8.185 -0.086 19623 2549 1 9 . 1 1 13 13 LYS N N 13 118.689 118.689 118.838 -0.149 19623 2550 1 9 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.983 -0.363 19623 2551 1 9 . 1 1 13 13 LYS C C 13 177.203 177.203 179.087 -1.884 19623 2552 1 9 . 1 1 13 13 LYS CA C 13 60.390 60.390 60.005 0.385 19623 2553 1 9 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.391 1.233 19623 2554 1 9 . 1 1 13 13 LYS H H 13 8.382 8.382 8.251 0.131 19623 2555 1 9 . 1 1 14 14 GLU N N 14 117.865 117.865 119.736 -1.871 19623 2556 1 9 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.047 0.238 19623 2557 1 9 . 1 1 14 14 GLU C C 14 179.404 179.404 179.185 0.219 19623 2558 1 9 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.611 0.396 19623 2559 1 9 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.458 -0.040 19623 2560 1 9 . 1 1 14 14 GLU H H 14 7.952 7.952 8.045 -0.093 19623 2561 1 9 . 1 1 15 15 LYS N N 15 119.020 119.020 119.482 -0.462 19623 2562 1 9 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.088 -0.155 19623 2563 1 9 . 1 1 15 15 LYS C C 15 177.976 177.976 178.865 -0.889 19623 2564 1 9 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.607 -0.016 19623 2565 1 9 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.431 -0.156 19623 2566 1 9 . 1 1 15 15 LYS H H 15 8.029 8.029 8.060 -0.031 19623 2567 1 9 . 1 1 16 16 ALA N N 16 120.410 120.410 122.983 -2.573 19623 2568 1 9 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.189 -0.227 19623 2569 1 9 . 1 1 16 16 ALA C C 16 179.140 179.140 179.684 -0.544 19623 2570 1 9 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.010 0.416 19623 2571 1 9 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.558 -0.148 19623 2572 1 9 . 1 1 16 16 ALA H H 16 7.904 7.904 8.063 -0.159 19623 2573 1 9 . 1 1 17 17 ILE N N 17 117.363 117.363 118.876 -1.513 19623 2574 1 9 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.589 2.261 19623 2575 1 9 . 1 1 17 17 ILE C C 17 177.604 177.604 177.685 -0.081 19623 2576 1 9 . 1 1 17 17 ILE CA C 17 66.545 66.545 65.580 0.965 19623 2577 1 9 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.814 0.029 19623 2578 1 9 . 1 1 17 17 ILE H H 17 8.500 8.500 8.425 0.075 19623 2579 1 9 . 1 1 18 18 LYS N N 18 119.838 119.838 120.865 -1.027 19623 2580 1 9 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.838 0.027 19623 2581 1 9 . 1 1 18 18 LYS C C 18 176.653 176.653 178.737 -2.084 19623 2582 1 9 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.340 -0.151 19623 2583 1 9 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.151 0.109 19623 2584 1 9 . 1 1 18 18 LYS H H 18 7.833 7.833 8.135 -0.302 19623 2585 1 9 . 1 1 19 19 ASP N N 19 120.497 120.497 120.118 0.379 19623 2586 1 9 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.311 0.258 19623 2587 1 9 . 1 1 19 19 ASP C C 19 179.120 179.120 178.999 0.121 19623 2588 1 9 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.203 -0.095 19623 2589 1 9 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.521 0.332 19623 2590 1 9 . 1 1 19 19 ASP H H 19 8.479 8.479 7.926 0.553 19623 2591 1 9 . 1 1 20 20 LEU N N 20 121.660 121.660 120.409 1.251 19623 2592 1 9 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.024 0.124 19623 2593 1 9 . 1 1 20 20 LEU C C 20 178.377 178.377 179.155 -0.778 19623 2594 1 9 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.453 -0.228 19623 2595 1 9 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.751 -0.166 19623 2596 1 9 . 1 1 20 20 LEU H H 20 8.136 8.136 8.337 -0.201 19623 2597 1 9 . 1 1 21 21 LYS N N 21 120.182 120.182 118.986 1.196 19623 2598 1 9 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.082 -0.178 19623 2599 1 9 . 1 1 21 21 LYS C C 21 179.785 179.785 179.405 0.380 19623 2600 1 9 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.238 0.319 19623 2601 1 9 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.413 -2.759 19623 2602 1 9 . 1 1 21 21 LYS H H 21 8.043 8.043 8.174 -0.131 19623 2603 1 9 . 1 1 22 22 ILE N N 22 121.523 121.523 119.196 2.327 19623 2604 1 9 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.706 -0.184 19623 2605 1 9 . 1 1 22 22 ILE C C 22 177.399 177.399 177.318 0.081 19623 2606 1 9 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.400 0.463 19623 2607 1 9 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.980 0.066 19623 2608 1 9 . 1 1 22 22 ILE H H 22 8.735 8.735 7.668 1.067 19623 2609 1 9 . 1 1 23 23 TYR N N 23 117.506 117.506 115.785 1.721 19623 2610 1 9 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.515 -0.034 19623 2611 1 9 . 1 1 23 23 TYR C C 23 176.020 176.020 175.936 0.084 19623 2612 1 9 . 1 1 23 23 TYR CA C 23 58.369 58.369 58.148 0.221 19623 2613 1 9 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.623 -0.124 19623 2614 1 9 . 1 1 23 23 TYR H H 23 7.291 7.291 7.644 -0.353 19623 2615 1 9 . 1 1 24 24 GLY N N 24 108.209 108.209 107.122 1.087 19623 2616 1 9 . 1 1 24 24 GLY C C 24 174.651 174.651 174.730 -0.079 19623 2617 1 9 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.999 1.410 19623 2618 1 9 . 1 1 24 24 GLY H H 24 7.910 7.910 7.519 0.391 19623 2619 1 9 . 1 1 25 25 ILE N N 25 119.897 119.897 121.957 -2.060 19623 2620 1 9 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.305 -0.558 19623 2621 1 9 . 1 1 25 25 ILE C C 25 175.864 175.864 176.629 -0.765 19623 2622 1 9 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.214 0.770 19623 2623 1 9 . 1 1 25 25 ILE CB C 25 37.120 37.120 37.848 -0.728 19623 2624 1 9 . 1 1 25 25 ILE H H 25 7.383 7.383 8.240 -0.857 19623 2625 1 9 . 1 1 26 26 GLY N N 26 111.580 111.580 114.814 -3.234 19623 2626 1 9 . 1 1 26 26 GLY C C 26 174.847 174.847 175.215 -0.368 19623 2627 1 9 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.404 0.918 19623 2628 1 9 . 1 1 26 26 GLY H H 26 8.811 8.811 8.416 0.395 19623 2629 1 9 . 1 1 27 27 GLU N N 27 120.229 120.229 119.962 0.267 19623 2630 1 9 . 1 1 27 27 GLU C C 27 177.311 177.311 178.604 -1.293 19623 2631 1 9 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.337 0.394 19623 2632 1 9 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.720 0.213 19623 2633 1 9 . 1 1 27 27 GLU H H 27 8.711 8.711 8.941 -0.230 19623 2634 1 9 . 1 1 28 28 HIS N N 28 117.558 117.558 118.572 -1.014 19623 2635 1 9 . 1 1 28 28 HIS C C 28 176.949 176.949 176.458 0.491 19623 2636 1 9 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.319 0.355 19623 2637 1 9 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.379 0.459 19623 2638 1 9 . 1 1 28 28 HIS H H 28 8.870 8.870 8.559 0.311 19623 2639 1 9 . 1 1 29 29 TYR N N 29 115.589 115.589 115.492 0.097 19623 2640 1 9 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.428 -0.338 19623 2641 1 9 . 1 1 29 29 TYR C C 29 177.552 177.552 177.431 0.121 19623 2642 1 9 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.270 0.728 19623 2643 1 9 . 1 1 29 29 TYR CB C 29 38.683 38.683 39.074 -0.391 19623 2644 1 9 . 1 1 29 29 TYR H H 29 7.227 7.227 7.550 -0.323 19623 2645 1 9 . 1 1 30 30 ILE N N 30 120.353 120.353 121.185 -0.832 19623 2646 1 9 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.562 -0.118 19623 2647 1 9 . 1 1 30 30 ILE C C 30 178.211 178.211 177.605 0.606 19623 2648 1 9 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.690 -0.050 19623 2649 1 9 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.651 -0.098 19623 2650 1 9 . 1 1 30 30 ILE H H 30 7.485 7.485 7.789 -0.304 19623 2651 1 9 . 1 1 31 31 LYS N N 31 117.249 117.249 119.230 -1.981 19623 2652 1 9 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.059 -0.048 19623 2653 1 9 . 1 1 31 31 LYS C C 31 178.954 178.954 178.866 0.088 19623 2654 1 9 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.206 -0.313 19623 2655 1 9 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.120 -0.447 19623 2656 1 9 . 1 1 31 31 LYS H H 31 8.064 8.064 8.097 -0.033 19623 2657 1 9 . 1 1 32 32 LEU N N 32 117.176 117.176 119.740 -2.564 19623 2658 1 9 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.981 -0.087 19623 2659 1 9 . 1 1 32 32 LEU C C 32 179.883 179.883 178.505 1.378 19623 2660 1 9 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.496 0.491 19623 2661 1 9 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.630 -0.374 19623 2662 1 9 . 1 1 32 32 LEU H H 32 7.154 7.154 7.463 -0.309 19623 2663 1 9 . 1 1 33 33 ILE N N 33 118.598 118.598 118.462 0.136 19623 2664 1 9 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.829 -0.258 19623 2665 1 9 . 1 1 33 33 ILE C C 33 177.917 177.917 178.738 -0.821 19623 2666 1 9 . 1 1 33 33 ILE CA C 33 63.579 63.579 62.914 0.665 19623 2667 1 9 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.231 -1.529 19623 2668 1 9 . 1 1 33 33 ILE H H 33 7.412 7.412 7.524 -0.112 19623 2669 1 9 . 1 1 34 34 GLU N N 34 116.574 116.574 120.701 -4.127 19623 2670 1 9 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.058 -0.232 19623 2671 1 9 . 1 1 34 34 GLU C C 34 178.661 178.661 178.900 -0.239 19623 2672 1 9 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.794 -0.104 19623 2673 1 9 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.355 0.500 19623 2674 1 9 . 1 1 34 34 GLU H H 34 7.987 7.987 7.907 0.080 19623 2675 1 9 . 1 1 35 35 LYS N N 35 114.863 114.863 117.706 -2.843 19623 2676 1 9 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.316 -0.109 19623 2677 1 9 . 1 1 35 35 LYS C C 35 176.861 176.861 175.858 1.003 19623 2678 1 9 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.460 0.868 19623 2679 1 9 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.743 0.264 19623 2680 1 9 . 1 1 35 35 LYS H H 35 7.361 7.361 7.746 -0.385 19623 2681 1 9 . 1 1 36 36 ALA N N 36 124.407 124.407 124.159 0.248 19623 2682 1 9 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.303 -0.174 19623 2683 1 9 . 1 1 36 36 ALA C C 36 178.279 178.279 177.289 0.990 19623 2684 1 9 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.790 0.467 19623 2685 1 9 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.745 -0.164 19623 2686 1 9 . 1 1 36 36 ALA H H 36 7.365 7.365 7.399 -0.034 19623 2687 1 9 . 1 1 37 37 LYS N N 37 116.217 116.217 117.908 -1.691 19623 2688 1 9 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.356 0.027 19623 2689 1 9 . 1 1 37 37 LYS C C 37 176.167 176.167 175.616 0.551 19623 2690 1 9 . 1 1 37 37 LYS CA C 37 56.602 56.602 57.091 -0.489 19623 2691 1 9 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.644 1.240 19623 2692 1 9 . 1 1 37 37 LYS H H 37 8.908 8.908 8.646 0.262 19623 2693 1 9 . 1 1 38 38 GLN N N 38 113.293 113.293 114.712 -1.419 19623 2694 1 9 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.783 0.030 19623 2695 1 9 . 1 1 38 38 GLN C C 38 176.138 176.138 175.705 0.433 19623 2696 1 9 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.381 -0.264 19623 2697 1 9 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.871 0.351 19623 2698 1 9 . 1 1 38 38 GLN H H 38 7.033 7.033 7.569 -0.536 19623 2699 1 9 . 1 1 39 39 VAL N N 39 125.474 125.474 121.289 4.185 19623 2700 1 9 . 1 1 39 39 VAL C C 39 177.751 177.751 177.777 -0.026 19623 2701 1 9 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.719 1.018 19623 2702 1 9 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.684 -0.246 19623 2703 1 9 . 1 1 39 39 VAL H H 39 9.250 9.250 9.078 0.172 19623 2704 1 9 . 1 1 40 40 ALA N N 40 120.717 120.717 122.466 -1.749 19623 2705 1 9 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.067 -0.026 19623 2706 1 9 . 1 1 40 40 ALA C C 40 179.081 179.081 179.365 -0.284 19623 2707 1 9 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.218 -0.159 19623 2708 1 9 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.898 -0.163 19623 2709 1 9 . 1 1 40 40 ALA H H 40 8.903 8.903 8.443 0.460 19623 2710 1 9 . 1 1 41 41 ALA N N 41 116.698 116.698 121.277 -4.579 19623 2711 1 9 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.031 0.205 19623 2712 1 9 . 1 1 41 41 ALA C C 41 180.294 180.294 179.737 0.557 19623 2713 1 9 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.641 0.047 19623 2714 1 9 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.156 0.568 19623 2715 1 9 . 1 1 41 41 ALA H H 41 6.701 6.701 7.436 -0.735 19623 2716 1 9 . 1 1 42 42 VAL N N 42 119.051 119.051 119.003 0.048 19623 2717 1 9 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.478 -0.200 19623 2718 1 9 . 1 1 42 42 VAL C C 42 176.812 176.812 178.401 -1.589 19623 2719 1 9 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.129 0.512 19623 2720 1 9 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.643 -0.244 19623 2721 1 9 . 1 1 42 42 VAL H H 42 7.552 7.552 7.994 -0.442 19623 2722 1 9 . 1 1 43 43 GLU N N 43 117.715 117.715 119.602 -1.887 19623 2723 1 9 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.027 -0.172 19623 2724 1 9 . 1 1 43 43 GLU C C 43 178.973 178.973 178.917 0.056 19623 2725 1 9 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.913 -0.520 19623 2726 1 9 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.518 -0.707 19623 2727 1 9 . 1 1 43 43 GLU H H 43 7.804 7.804 8.193 -0.389 19623 2728 1 9 . 1 1 44 44 ASP N N 44 119.175 119.175 120.629 -1.454 19623 2729 1 9 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.470 -0.107 19623 2730 1 9 . 1 1 44 44 ASP C C 44 178.211 178.211 178.955 -0.744 19623 2731 1 9 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.180 0.128 19623 2732 1 9 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.581 -0.077 19623 2733 1 9 . 1 1 44 44 ASP H H 44 8.169 8.169 8.131 0.038 19623 2734 1 9 . 1 1 45 45 LEU N N 45 117.848 117.848 120.728 -2.880 19623 2735 1 9 . 1 1 45 45 LEU HA H 45 4.119 4.119 4.053 0.066 19623 2736 1 9 . 1 1 45 45 LEU C C 45 178.416 178.416 179.184 -0.768 19623 2737 1 9 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.667 -0.374 19623 2738 1 9 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.896 -1.422 19623 2739 1 9 . 1 1 45 45 LEU H H 45 8.119 8.119 8.549 -0.430 19623 2740 1 9 . 1 1 46 46 LYS N N 46 119.462 119.462 120.010 -0.548 19623 2741 1 9 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.943 0.029 19623 2742 1 9 . 1 1 46 46 LYS C C 46 177.653 177.653 178.731 -1.078 19623 2743 1 9 . 1 1 46 46 LYS CA C 46 60.276 60.276 59.794 0.482 19623 2744 1 9 . 1 1 46 46 LYS CB C 46 31.450 31.450 31.976 -0.526 19623 2745 1 9 . 1 1 46 46 LYS H H 46 8.483 8.483 7.958 0.525 19623 2746 1 9 . 1 1 47 47 ASP N N 47 117.470 117.470 119.443 -1.973 19623 2747 1 9 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.535 -0.191 19623 2748 1 9 . 1 1 47 47 ASP C C 47 179.384 179.384 178.488 0.896 19623 2749 1 9 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.498 0.189 19623 2750 1 9 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.464 0.345 19623 2751 1 9 . 1 1 47 47 ASP H H 47 7.846 7.846 8.044 -0.198 19623 2752 1 9 . 1 1 48 48 GLU N N 48 119.662 119.662 120.844 -1.182 19623 2753 1 9 . 1 1 48 48 GLU HA H 48 4.011 4.011 3.995 0.016 19623 2754 1 9 . 1 1 48 48 GLU C C 48 180.724 180.724 179.106 1.618 19623 2755 1 9 . 1 1 48 48 GLU CA C 48 60.091 60.091 59.316 0.775 19623 2756 1 9 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.692 2.299 19623 2757 1 9 . 1 1 48 48 GLU H H 48 8.327 8.327 7.892 0.435 19623 2758 1 9 . 1 1 49 49 ILE N N 49 120.308 120.308 119.846 0.462 19623 2759 1 9 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.501 0.237 19623 2760 1 9 . 1 1 49 49 ILE C C 49 179.238 179.238 178.026 1.212 19623 2761 1 9 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.502 -0.910 19623 2762 1 9 . 1 1 49 49 ILE CB C 49 37.959 37.959 38.032 -0.073 19623 2763 1 9 . 1 1 49 49 ILE H H 49 7.667 7.667 8.304 -0.637 19623 2764 1 9 . 1 1 50 50 LEU N N 50 121.274 121.274 119.267 2.007 19623 2765 1 9 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.873 0.686 19623 2766 1 9 . 1 1 50 50 LEU C C 50 179.971 179.971 178.946 1.025 19623 2767 1 9 . 1 1 50 50 LEU CA C 50 57.794 57.794 58.001 -0.207 19623 2768 1 9 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.636 -0.780 19623 2769 1 9 . 1 1 50 50 LEU H H 50 8.474 8.474 7.802 0.672 19623 2770 1 9 . 1 1 51 51 LYS N N 51 119.972 119.972 118.650 1.322 19623 2771 1 9 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.970 0.012 19623 2772 1 9 . 1 1 51 51 LYS C C 51 179.189 179.189 179.441 -0.252 19623 2773 1 9 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.340 0.186 19623 2774 1 9 . 1 1 51 51 LYS CB C 51 32.175 32.175 31.857 0.318 19623 2775 1 9 . 1 1 51 51 LYS H H 51 8.197 8.197 8.358 -0.161 19623 2776 1 9 . 1 1 52 52 ALA N N 52 121.059 121.059 122.132 -1.073 19623 2777 1 9 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.012 0.146 19623 2778 1 9 . 1 1 52 52 ALA C C 52 178.015 178.015 177.975 0.040 19623 2779 1 9 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.402 -0.740 19623 2780 1 9 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.341 -0.438 19623 2781 1 9 . 1 1 52 52 ALA H H 52 7.809 7.809 7.868 -0.059 19623 2782 1 9 . 1 1 53 53 HIS N N 53 115.943 115.943 113.604 2.339 19623 2783 1 9 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.774 -0.401 19623 2784 1 9 . 1 1 53 53 HIS C C 53 174.015 174.015 173.665 0.350 19623 2785 1 9 . 1 1 53 53 HIS CA C 53 57.409 57.409 55.526 1.883 19623 2786 1 9 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.453 -1.443 19623 2787 1 9 . 1 1 53 53 HIS H H 53 7.598 7.598 7.397 0.201 19623 2788 1 9 . 1 1 54 54 ASP N N 54 119.133 119.133 118.170 0.963 19623 2789 1 9 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.372 0.070 19623 2790 1 9 . 1 1 54 54 ASP C C 54 175.609 175.609 176.562 -0.953 19623 2791 1 9 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.815 -0.844 19623 2792 1 9 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.704 0.505 19623 2793 1 9 . 1 1 54 54 ASP H H 54 7.974 7.974 7.715 0.259 19623 2794 1 9 . 1 1 55 55 ARG N N 55 118.206 118.206 116.916 1.290 19623 2795 1 9 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.440 -0.116 19623 2796 1 9 . 1 1 55 55 ARG C C 55 174.671 174.671 175.765 -1.094 19623 2797 1 9 . 1 1 55 55 ARG CA C 55 54.785 54.785 54.334 0.451 19623 2798 1 9 . 1 1 55 55 ARG CB C 55 30.507 30.507 29.862 0.645 19623 2799 1 9 . 1 1 55 55 ARG H H 55 7.943 7.943 8.282 -0.339 19623 2800 1 10 . 1 1 2 2 GLY N N 2 113.169 113.169 111.465 1.704 19623 2801 1 10 . 1 1 2 2 GLY C C 2 173.996 173.996 174.748 -0.752 19623 2802 1 10 . 1 1 2 2 GLY CA C 2 45.211 45.211 44.791 0.420 19623 2803 1 10 . 1 1 2 2 GLY H H 2 8.533 8.533 8.295 0.238 19623 2804 1 10 . 1 1 3 3 ASP N N 3 120.717 120.717 122.876 -2.159 19623 2805 1 10 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.588 -0.029 19623 2806 1 10 . 1 1 3 3 ASP C C 3 176.675 176.675 176.414 0.261 19623 2807 1 10 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.913 0.576 19623 2808 1 10 . 1 1 3 3 ASP CB C 3 41.197 41.197 42.380 -1.183 19623 2809 1 10 . 1 1 3 3 ASP H H 3 8.412 8.412 8.814 -0.402 19623 2810 1 10 . 1 1 4 4 LYS N N 4 121.955 121.955 121.709 0.246 19623 2811 1 10 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.000 0.246 19623 2812 1 10 . 1 1 4 4 LYS C C 4 177.301 177.301 177.283 0.018 19623 2813 1 10 . 1 1 4 4 LYS CA C 4 56.606 56.606 57.222 -0.617 19623 2814 1 10 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.905 -0.469 19623 2815 1 10 . 1 1 4 4 LYS H H 4 8.490 8.490 8.298 0.192 19623 2816 1 10 . 1 1 5 5 GLY N N 5 109.376 109.376 112.663 -3.287 19623 2817 1 10 . 1 1 5 5 GLY C C 5 174.045 174.045 173.699 0.346 19623 2818 1 10 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.693 0.612 19623 2819 1 10 . 1 1 5 5 GLY H H 5 8.491 8.491 8.569 -0.078 19623 2820 1 10 . 1 1 6 6 TYR N N 6 120.416 120.416 120.030 0.386 19623 2821 1 10 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.488 0.022 19623 2822 1 10 . 1 1 6 6 TYR C C 6 175.952 175.952 176.173 -0.221 19623 2823 1 10 . 1 1 6 6 TYR CA C 6 58.383 58.383 58.590 -0.207 19623 2824 1 10 . 1 1 6 6 TYR CB C 6 38.562 38.562 39.402 -0.840 19623 2825 1 10 . 1 1 6 6 TYR H H 6 8.134 8.134 8.441 -0.307 19623 2826 1 10 . 1 1 7 7 ASN N N 7 122.415 122.415 118.271 4.144 19623 2827 1 10 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.613 -0.025 19623 2828 1 10 . 1 1 7 7 ASN C C 7 175.521 175.521 176.063 -0.542 19623 2829 1 10 . 1 1 7 7 ASN CA C 7 53.408 53.408 54.551 -1.143 19623 2830 1 10 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.794 -0.014 19623 2831 1 10 . 1 1 7 7 ASN H H 7 8.557 8.557 8.881 -0.324 19623 2832 1 10 . 1 1 8 8 GLY N N 8 109.431 109.431 107.613 1.818 19623 2833 1 10 . 1 1 8 8 GLY C C 8 175.609 175.609 174.993 0.616 19623 2834 1 10 . 1 1 8 8 GLY CA C 8 45.990 45.990 44.341 1.649 19623 2835 1 10 . 1 1 8 8 GLY H H 8 8.285 8.285 7.957 0.328 19623 2836 1 10 . 1 1 9 9 LEU N N 9 123.596 123.596 126.872 -3.276 19623 2837 1 10 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.053 -0.120 19623 2838 1 10 . 1 1 9 9 LEU C C 9 177.458 177.458 178.481 -1.023 19623 2839 1 10 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.721 0.527 19623 2840 1 10 . 1 1 9 9 LEU CB C 9 41.690 41.690 42.071 -0.381 19623 2841 1 10 . 1 1 9 9 LEU H H 9 8.136 8.136 8.639 -0.503 19623 2842 1 10 . 1 1 10 10 ALA N N 10 121.310 121.310 120.866 0.444 19623 2843 1 10 . 1 1 10 10 ALA HA H 10 3.933 3.933 4.099 -0.166 19623 2844 1 10 . 1 1 10 10 ALA C C 10 181.140 181.140 179.645 1.495 19623 2845 1 10 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.236 0.269 19623 2846 1 10 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.569 0.222 19623 2847 1 10 . 1 1 10 10 ALA H H 10 8.361 8.361 8.413 -0.052 19623 2848 1 10 . 1 1 11 11 GLU N N 11 118.893 118.893 119.270 -0.377 19623 2849 1 10 . 1 1 11 11 GLU HA H 11 3.992 3.992 4.004 -0.012 19623 2850 1 10 . 1 1 11 11 GLU C C 11 178.797 178.797 179.262 -0.465 19623 2851 1 10 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.450 0.441 19623 2852 1 10 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.338 -0.347 19623 2853 1 10 . 1 1 11 11 GLU H H 11 8.490 8.490 8.653 -0.164 19623 2854 1 10 . 1 1 12 12 ALA N N 12 122.362 122.362 122.889 -0.527 19623 2855 1 10 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.192 -0.112 19623 2856 1 10 . 1 1 12 12 ALA C C 12 181.228 181.228 179.575 1.653 19623 2857 1 10 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.408 -0.190 19623 2858 1 10 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.415 0.047 19623 2859 1 10 . 1 1 12 12 ALA H H 12 8.099 8.099 8.284 -0.185 19623 2860 1 10 . 1 1 13 13 LYS N N 13 118.689 118.689 118.636 0.053 19623 2861 1 10 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.997 -0.377 19623 2862 1 10 . 1 1 13 13 LYS C C 13 177.203 177.203 179.193 -1.990 19623 2863 1 10 . 1 1 13 13 LYS CA C 13 60.390 60.390 60.190 0.200 19623 2864 1 10 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.495 1.129 19623 2865 1 10 . 1 1 13 13 LYS H H 13 8.382 8.382 8.345 0.037 19623 2866 1 10 . 1 1 14 14 GLU N N 14 117.865 117.865 119.617 -1.752 19623 2867 1 10 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.035 0.250 19623 2868 1 10 . 1 1 14 14 GLU C C 14 179.404 179.404 178.968 0.436 19623 2869 1 10 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.527 0.480 19623 2870 1 10 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.581 -0.163 19623 2871 1 10 . 1 1 14 14 GLU H H 14 7.952 7.952 8.269 -0.317 19623 2872 1 10 . 1 1 15 15 LYS N N 15 119.020 119.020 120.114 -1.094 19623 2873 1 10 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.131 -0.198 19623 2874 1 10 . 1 1 15 15 LYS C C 15 177.976 177.976 178.468 -0.492 19623 2875 1 10 . 1 1 15 15 LYS CA C 15 59.591 59.591 58.992 0.598 19623 2876 1 10 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.158 0.117 19623 2877 1 10 . 1 1 15 15 LYS H H 15 8.029 8.029 8.147 -0.118 19623 2878 1 10 . 1 1 16 16 ALA N N 16 120.410 120.410 121.888 -1.478 19623 2879 1 10 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.149 -0.187 19623 2880 1 10 . 1 1 16 16 ALA C C 16 179.140 179.140 179.974 -0.834 19623 2881 1 10 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.018 0.408 19623 2882 1 10 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.340 0.070 19623 2883 1 10 . 1 1 16 16 ALA H H 16 7.904 7.904 7.950 -0.046 19623 2884 1 10 . 1 1 17 17 ILE N N 17 117.363 117.363 118.510 -1.147 19623 2885 1 10 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.589 2.261 19623 2886 1 10 . 1 1 17 17 ILE C C 17 177.604 177.604 178.180 -0.576 19623 2887 1 10 . 1 1 17 17 ILE CA C 17 66.545 66.545 65.301 1.244 19623 2888 1 10 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.821 0.022 19623 2889 1 10 . 1 1 17 17 ILE H H 17 8.500 8.500 7.938 0.562 19623 2890 1 10 . 1 1 18 18 LYS N N 18 119.838 119.838 119.981 -0.143 19623 2891 1 10 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.939 -0.074 19623 2892 1 10 . 1 1 18 18 LYS C C 18 176.653 176.653 179.261 -2.608 19623 2893 1 10 . 1 1 18 18 LYS CA C 18 60.189 60.189 59.955 0.234 19623 2894 1 10 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.140 0.120 19623 2895 1 10 . 1 1 18 18 LYS H H 18 7.833 7.833 8.107 -0.274 19623 2896 1 10 . 1 1 19 19 ASP N N 19 120.497 120.497 120.281 0.216 19623 2897 1 10 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.480 0.089 19623 2898 1 10 . 1 1 19 19 ASP C C 19 179.120 179.120 178.742 0.378 19623 2899 1 10 . 1 1 19 19 ASP CA C 19 57.108 57.108 56.845 0.263 19623 2900 1 10 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.647 0.206 19623 2901 1 10 . 1 1 19 19 ASP H H 19 8.479 8.479 7.891 0.588 19623 2902 1 10 . 1 1 20 20 LEU N N 20 121.660 121.660 120.394 1.266 19623 2903 1 10 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.080 0.068 19623 2904 1 10 . 1 1 20 20 LEU C C 20 178.377 178.377 178.843 -0.466 19623 2905 1 10 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.045 0.180 19623 2906 1 10 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.687 -0.102 19623 2907 1 10 . 1 1 20 20 LEU H H 20 8.136 8.136 8.291 -0.155 19623 2908 1 10 . 1 1 21 21 LYS N N 21 120.182 120.182 118.945 1.237 19623 2909 1 10 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.080 -0.176 19623 2910 1 10 . 1 1 21 21 LYS C C 21 179.785 179.785 179.601 0.184 19623 2911 1 10 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.304 0.253 19623 2912 1 10 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.159 -2.504 19623 2913 1 10 . 1 1 21 21 LYS H H 21 8.043 8.043 8.097 -0.054 19623 2914 1 10 . 1 1 22 22 ILE N N 22 121.523 121.523 119.845 1.678 19623 2915 1 10 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.691 -0.169 19623 2916 1 10 . 1 1 22 22 ILE C C 22 177.399 177.399 177.052 0.347 19623 2917 1 10 . 1 1 22 22 ILE CA C 22 64.863 64.863 63.859 1.004 19623 2918 1 10 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.737 0.309 19623 2919 1 10 . 1 1 22 22 ILE H H 22 8.735 8.735 7.369 1.366 19623 2920 1 10 . 1 1 23 23 TYR N N 23 117.506 117.506 116.407 1.099 19623 2921 1 10 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.485 -0.004 19623 2922 1 10 . 1 1 23 23 TYR C C 23 176.020 176.020 175.979 0.041 19623 2923 1 10 . 1 1 23 23 TYR CA C 23 58.369 58.369 58.118 0.251 19623 2924 1 10 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.343 0.156 19623 2925 1 10 . 1 1 23 23 TYR H H 23 7.291 7.291 7.401 -0.110 19623 2926 1 10 . 1 1 24 24 GLY N N 24 108.209 108.209 108.255 -0.046 19623 2927 1 10 . 1 1 24 24 GLY C C 24 174.651 174.651 175.067 -0.416 19623 2928 1 10 . 1 1 24 24 GLY CA C 24 46.409 46.409 45.295 1.114 19623 2929 1 10 . 1 1 24 24 GLY H H 24 7.910 7.910 7.377 0.533 19623 2930 1 10 . 1 1 25 25 ILE N N 25 119.897 119.897 120.796 -0.899 19623 2931 1 10 . 1 1 25 25 ILE HA H 25 3.747 3.747 3.810 -0.063 19623 2932 1 10 . 1 1 25 25 ILE C C 25 175.864 175.864 176.812 -0.948 19623 2933 1 10 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.416 0.568 19623 2934 1 10 . 1 1 25 25 ILE CB C 25 37.120 37.120 37.343 -0.223 19623 2935 1 10 . 1 1 25 25 ILE H H 25 7.383 7.383 7.798 -0.415 19623 2936 1 10 . 1 1 26 26 GLY N N 26 111.580 111.580 115.011 -3.431 19623 2937 1 10 . 1 1 26 26 GLY C C 26 174.847 174.847 175.224 -0.377 19623 2938 1 10 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.420 0.902 19623 2939 1 10 . 1 1 26 26 GLY H H 26 8.811 8.811 8.259 0.552 19623 2940 1 10 . 1 1 27 27 GLU N N 27 120.229 120.229 121.443 -1.214 19623 2941 1 10 . 1 1 27 27 GLU C C 27 177.311 177.311 178.739 -1.428 19623 2942 1 10 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.701 0.029 19623 2943 1 10 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.750 0.183 19623 2944 1 10 . 1 1 27 27 GLU H H 27 8.711 8.711 9.020 -0.309 19623 2945 1 10 . 1 1 28 28 HIS N N 28 117.558 117.558 118.820 -1.262 19623 2946 1 10 . 1 1 28 28 HIS C C 28 176.949 176.949 177.081 -0.132 19623 2947 1 10 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.677 -0.003 19623 2948 1 10 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.484 0.354 19623 2949 1 10 . 1 1 28 28 HIS H H 28 8.870 8.870 8.644 0.226 19623 2950 1 10 . 1 1 29 29 TYR N N 29 115.589 115.589 116.563 -0.974 19623 2951 1 10 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.369 -0.279 19623 2952 1 10 . 1 1 29 29 TYR C C 29 177.552 177.552 177.883 -0.331 19623 2953 1 10 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.770 0.229 19623 2954 1 10 . 1 1 29 29 TYR CB C 29 38.683 38.683 38.731 -0.048 19623 2955 1 10 . 1 1 29 29 TYR H H 29 7.227 7.227 7.677 -0.450 19623 2956 1 10 . 1 1 30 30 ILE N N 30 120.353 120.353 121.204 -0.851 19623 2957 1 10 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.583 -0.139 19623 2958 1 10 . 1 1 30 30 ILE C C 30 178.211 178.211 177.634 0.577 19623 2959 1 10 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.631 0.009 19623 2960 1 10 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.723 -0.170 19623 2961 1 10 . 1 1 30 30 ILE H H 30 7.485 7.485 8.133 -0.648 19623 2962 1 10 . 1 1 31 31 LYS N N 31 117.249 117.249 119.693 -2.444 19623 2963 1 10 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.199 -0.188 19623 2964 1 10 . 1 1 31 31 LYS C C 31 178.954 178.954 178.973 -0.019 19623 2965 1 10 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.291 -0.398 19623 2966 1 10 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.142 -0.469 19623 2967 1 10 . 1 1 31 31 LYS H H 31 8.064 8.064 8.122 -0.058 19623 2968 1 10 . 1 1 32 32 LEU N N 32 117.176 117.176 119.838 -2.662 19623 2969 1 10 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.959 -0.065 19623 2970 1 10 . 1 1 32 32 LEU C C 32 179.883 179.883 178.756 1.127 19623 2971 1 10 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.662 0.325 19623 2972 1 10 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.461 -0.206 19623 2973 1 10 . 1 1 32 32 LEU H H 32 7.154 7.154 7.251 -0.097 19623 2974 1 10 . 1 1 33 33 ILE N N 33 118.598 118.598 117.209 1.389 19623 2975 1 10 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.827 -0.256 19623 2976 1 10 . 1 1 33 33 ILE C C 33 177.917 177.917 178.466 -0.549 19623 2977 1 10 . 1 1 33 33 ILE CA C 33 63.579 63.579 62.889 0.690 19623 2978 1 10 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.157 -1.455 19623 2979 1 10 . 1 1 33 33 ILE H H 33 7.412 7.412 7.543 -0.131 19623 2980 1 10 . 1 1 34 34 GLU N N 34 116.574 116.574 120.087 -3.513 19623 2981 1 10 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.002 -0.176 19623 2982 1 10 . 1 1 34 34 GLU C C 34 178.661 178.661 178.457 0.204 19623 2983 1 10 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.668 0.021 19623 2984 1 10 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.251 0.604 19623 2985 1 10 . 1 1 34 34 GLU H H 34 7.987 7.987 7.846 0.141 19623 2986 1 10 . 1 1 35 35 LYS N N 35 114.863 114.863 117.774 -2.911 19623 2987 1 10 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.309 -0.102 19623 2988 1 10 . 1 1 35 35 LYS C C 35 176.861 176.861 175.917 0.944 19623 2989 1 10 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.489 0.840 19623 2990 1 10 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.694 0.313 19623 2991 1 10 . 1 1 35 35 LYS H H 35 7.361 7.361 7.564 -0.203 19623 2992 1 10 . 1 1 36 36 ALA N N 36 124.407 124.407 124.670 -0.263 19623 2993 1 10 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.229 -0.100 19623 2994 1 10 . 1 1 36 36 ALA C C 36 178.279 178.279 177.158 1.121 19623 2995 1 10 . 1 1 36 36 ALA CA C 36 53.257 53.257 53.088 0.169 19623 2996 1 10 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.738 -0.157 19623 2997 1 10 . 1 1 36 36 ALA H H 36 7.365 7.365 7.666 -0.301 19623 2998 1 10 . 1 1 37 37 LYS N N 37 116.217 116.217 120.758 -4.541 19623 2999 1 10 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.366 0.017 19623 3000 1 10 . 1 1 37 37 LYS C C 37 176.167 176.167 176.008 0.159 19623 3001 1 10 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.588 0.014 19623 3002 1 10 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.439 1.444 19623 3003 1 10 . 1 1 37 37 LYS H H 37 8.908 8.908 8.698 0.210 19623 3004 1 10 . 1 1 38 38 GLN N N 38 113.293 113.293 117.794 -4.501 19623 3005 1 10 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.509 0.304 19623 3006 1 10 . 1 1 38 38 GLN C C 38 176.138 176.138 176.468 -0.330 19623 3007 1 10 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.326 -0.209 19623 3008 1 10 . 1 1 38 38 GLN CB C 38 32.222 32.222 32.158 0.064 19623 3009 1 10 . 1 1 38 38 GLN H H 38 7.033 7.033 7.843 -0.810 19623 3010 1 10 . 1 1 39 39 VAL N N 39 125.474 125.474 123.939 1.535 19623 3011 1 10 . 1 1 39 39 VAL C C 39 177.751 177.751 177.577 0.174 19623 3012 1 10 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.364 1.373 19623 3013 1 10 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.782 -0.344 19623 3014 1 10 . 1 1 39 39 VAL H H 39 9.250 9.250 8.879 0.371 19623 3015 1 10 . 1 1 40 40 ALA N N 40 120.717 120.717 122.235 -1.518 19623 3016 1 10 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.063 -0.022 19623 3017 1 10 . 1 1 40 40 ALA C C 40 179.081 179.081 179.233 -0.152 19623 3018 1 10 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.054 0.005 19623 3019 1 10 . 1 1 40 40 ALA CB C 40 17.735 17.735 18.155 -0.420 19623 3020 1 10 . 1 1 40 40 ALA H H 40 8.903 8.903 8.212 0.691 19623 3021 1 10 . 1 1 41 41 ALA N N 41 116.698 116.698 120.722 -4.024 19623 3022 1 10 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.030 0.206 19623 3023 1 10 . 1 1 41 41 ALA C C 41 180.294 180.294 179.650 0.644 19623 3024 1 10 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.549 0.139 19623 3025 1 10 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.132 0.592 19623 3026 1 10 . 1 1 41 41 ALA H H 41 6.701 6.701 7.905 -1.204 19623 3027 1 10 . 1 1 42 42 VAL N N 42 119.051 119.051 118.825 0.226 19623 3028 1 10 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.492 -0.214 19623 3029 1 10 . 1 1 42 42 VAL C C 42 176.812 176.812 178.251 -1.439 19623 3030 1 10 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.097 0.544 19623 3031 1 10 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.643 -0.244 19623 3032 1 10 . 1 1 42 42 VAL H H 42 7.552 7.552 8.040 -0.488 19623 3033 1 10 . 1 1 43 43 GLU N N 43 117.715 117.715 118.726 -1.011 19623 3034 1 10 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.065 -0.210 19623 3035 1 10 . 1 1 43 43 GLU C C 43 178.973 178.973 178.940 0.033 19623 3036 1 10 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.407 -0.014 19623 3037 1 10 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.411 -0.600 19623 3038 1 10 . 1 1 43 43 GLU H H 43 7.804 7.804 7.835 -0.031 19623 3039 1 10 . 1 1 44 44 ASP N N 44 119.175 119.175 120.222 -1.047 19623 3040 1 10 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.497 -0.134 19623 3041 1 10 . 1 1 44 44 ASP C C 44 178.211 178.211 178.594 -0.383 19623 3042 1 10 . 1 1 44 44 ASP CA C 44 57.308 57.308 56.808 0.500 19623 3043 1 10 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.705 -0.201 19623 3044 1 10 . 1 1 44 44 ASP H H 44 8.169 8.169 8.100 0.069 19623 3045 1 10 . 1 1 45 45 LEU N N 45 117.848 117.848 120.160 -2.312 19623 3046 1 10 . 1 1 45 45 LEU HA H 45 4.119 4.119 4.085 0.034 19623 3047 1 10 . 1 1 45 45 LEU C C 45 178.416 178.416 178.699 -0.283 19623 3048 1 10 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.822 -0.528 19623 3049 1 10 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.980 -1.506 19623 3050 1 10 . 1 1 45 45 LEU H H 45 8.119 8.119 8.222 -0.103 19623 3051 1 10 . 1 1 46 46 LYS N N 46 119.462 119.462 118.327 1.135 19623 3052 1 10 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.959 0.013 19623 3053 1 10 . 1 1 46 46 LYS C C 46 177.653 177.653 178.549 -0.896 19623 3054 1 10 . 1 1 46 46 LYS CA C 46 60.276 60.276 59.837 0.439 19623 3055 1 10 . 1 1 46 46 LYS CB C 46 31.450 31.450 31.695 -0.245 19623 3056 1 10 . 1 1 46 46 LYS H H 46 8.483 8.483 8.168 0.315 19623 3057 1 10 . 1 1 47 47 ASP N N 47 117.470 117.470 120.854 -3.384 19623 3058 1 10 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.595 -0.251 19623 3059 1 10 . 1 1 47 47 ASP C C 47 179.384 179.384 178.713 0.671 19623 3060 1 10 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.168 0.519 19623 3061 1 10 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.334 0.474 19623 3062 1 10 . 1 1 47 47 ASP H H 47 7.846 7.846 7.784 0.062 19623 3063 1 10 . 1 1 48 48 GLU N N 48 119.662 119.662 120.512 -0.850 19623 3064 1 10 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.096 -0.085 19623 3065 1 10 . 1 1 48 48 GLU C C 48 180.724 180.724 179.408 1.316 19623 3066 1 10 . 1 1 48 48 GLU CA C 48 60.091 60.091 59.091 1.000 19623 3067 1 10 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.805 2.186 19623 3068 1 10 . 1 1 48 48 GLU H H 48 8.327 8.327 7.561 0.766 19623 3069 1 10 . 1 1 49 49 ILE N N 49 120.308 120.308 121.166 -0.858 19623 3070 1 10 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.689 0.049 19623 3071 1 10 . 1 1 49 49 ILE C C 49 179.238 179.238 177.783 1.455 19623 3072 1 10 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.921 -1.329 19623 3073 1 10 . 1 1 49 49 ILE CB C 49 37.959 37.959 38.201 -0.242 19623 3074 1 10 . 1 1 49 49 ILE H H 49 7.667 7.667 8.632 -0.965 19623 3075 1 10 . 1 1 50 50 LEU N N 50 121.274 121.274 119.288 1.986 19623 3076 1 10 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.898 0.661 19623 3077 1 10 . 1 1 50 50 LEU C C 50 179.971 179.971 178.761 1.210 19623 3078 1 10 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.738 0.056 19623 3079 1 10 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.393 -0.537 19623 3080 1 10 . 1 1 50 50 LEU H H 50 8.474 8.474 8.068 0.406 19623 3081 1 10 . 1 1 51 51 LYS N N 51 119.972 119.972 120.235 -0.263 19623 3082 1 10 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.945 0.037 19623 3083 1 10 . 1 1 51 51 LYS C C 51 179.189 179.189 179.355 -0.166 19623 3084 1 10 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.537 -0.011 19623 3085 1 10 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.224 -0.049 19623 3086 1 10 . 1 1 51 51 LYS H H 51 8.197 8.197 8.248 -0.051 19623 3087 1 10 . 1 1 52 52 ALA N N 52 121.059 121.059 121.456 -0.397 19623 3088 1 10 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.041 0.117 19623 3089 1 10 . 1 1 52 52 ALA C C 52 178.015 178.015 178.854 -0.839 19623 3090 1 10 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.367 -0.705 19623 3091 1 10 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.421 -0.518 19623 3092 1 10 . 1 1 52 52 ALA H H 52 7.809 7.809 7.897 -0.088 19623 3093 1 10 . 1 1 53 53 HIS N N 53 115.943 115.943 114.003 1.940 19623 3094 1 10 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.607 -0.234 19623 3095 1 10 . 1 1 53 53 HIS C C 53 174.015 174.015 174.817 -0.802 19623 3096 1 10 . 1 1 53 53 HIS CA C 53 57.409 57.409 56.454 0.955 19623 3097 1 10 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.330 -1.320 19623 3098 1 10 . 1 1 53 53 HIS H H 53 7.598 7.598 7.476 0.122 19623 3099 1 10 . 1 1 54 54 ASP N N 54 119.133 119.133 117.459 1.674 19623 3100 1 10 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.321 0.121 19623 3101 1 10 . 1 1 54 54 ASP C C 54 175.609 175.609 176.058 -0.449 19623 3102 1 10 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.730 -0.759 19623 3103 1 10 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.346 0.863 19623 3104 1 10 . 1 1 54 54 ASP H H 54 7.974 7.974 7.912 0.062 19623 3105 1 10 . 1 1 55 55 ARG N N 55 118.206 118.206 116.581 1.625 19623 3106 1 10 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.569 -0.245 19623 3107 1 10 . 1 1 55 55 ARG C C 55 174.671 174.671 175.251 -0.580 19623 3108 1 10 . 1 1 55 55 ARG CA C 55 54.785 54.785 54.477 0.308 19623 3109 1 10 . 1 1 55 55 ARG CB C 55 30.507 30.507 30.756 -0.249 19623 3110 1 10 . 1 1 55 55 ARG H H 55 7.943 7.943 8.194 -0.251 19623 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 54 2.096 0.375 2.082 19623 2 1 1 "Average Difference" HA 56 0.328 -0.058 0.325 19623 3 1 1 "Average Difference" C 54 0.883 0.091 0.886 19623 4 1 1 "Average Difference" CA 54 0.797 -0.184 0.783 19623 5 1 1 "Average Difference" CB 49 0.811 0.042 0.819 19623 6 1 1 "Average Difference" HN 54 0.382 -0.045 0.383 19623 7 1 2 "Average Difference" N 54 2.038 0.247 2.042 19623 8 1 2 "Average Difference" HA 56 0.343 -0.084 0.336 19623 9 1 2 "Average Difference" C 54 0.855 -0.098 0.857 19623 10 1 2 "Average Difference" CA 54 0.834 -0.333 0.772 19623 11 1 2 "Average Difference" CB 49 0.884 0.055 0.891 19623 12 1 2 "Average Difference" HN 54 0.476 -0.036 0.479 19623 13 1 3 "Average Difference" N 54 1.776 0.616 1.682 19623 14 1 3 "Average Difference" HA 56 0.352 -0.052 0.351 19623 15 1 3 "Average Difference" C 54 0.955 0.058 0.963 19623 16 1 3 "Average Difference" CA 54 0.753 -0.165 0.742 19623 17 1 3 "Average Difference" CB 49 0.893 0.121 0.894 19623 18 1 3 "Average Difference" HN 54 0.377 0.026 0.379 19623 19 1 4 "Average Difference" N 54 2.080 0.592 2.012 19623 20 1 4 "Average Difference" HA 56 0.367 -0.049 0.367 19623 21 1 4 "Average Difference" C 54 0.826 0.043 0.832 19623 22 1 4 "Average Difference" CA 54 0.631 -0.166 0.614 19623 23 1 4 "Average Difference" CB 49 0.838 0.135 0.835 19623 24 1 4 "Average Difference" HN 54 0.395 0.067 0.393 19623 25 1 5 "Average Difference" N 54 2.126 0.558 2.070 19623 26 1 5 "Average Difference" HA 56 0.329 -0.032 0.330 19623 27 1 5 "Average Difference" C 54 0.832 0.121 0.831 19623 28 1 5 "Average Difference" CA 54 0.770 -0.245 0.736 19623 29 1 5 "Average Difference" CB 49 0.928 0.097 0.933 19623 30 1 5 "Average Difference" HN 54 0.436 0.024 0.439 19623 31 1 6 "Average Difference" N 54 2.092 0.639 2.010 19623 32 1 6 "Average Difference" HA 56 0.363 -0.071 0.359 19623 33 1 6 "Average Difference" C 54 0.797 0.040 0.804 19623 34 1 6 "Average Difference" CA 54 0.717 -0.227 0.686 19623 35 1 6 "Average Difference" CB 49 0.863 0.097 0.867 19623 36 1 6 "Average Difference" HN 54 0.455 0.001 0.459 19623 37 1 7 "Average Difference" N 54 1.816 0.520 1.757 19623 38 1 7 "Average Difference" HA 56 0.358 -0.056 0.357 19623 39 1 7 "Average Difference" C 54 0.947 0.023 0.956 19623 40 1 7 "Average Difference" CA 54 0.777 -0.208 0.755 19623 41 1 7 "Average Difference" CB 49 0.926 0.087 0.931 19623 42 1 7 "Average Difference" HN 54 0.409 -0.006 0.413 19623 43 1 8 "Average Difference" N 54 1.920 0.647 1.825 19623 44 1 8 "Average Difference" HA 56 0.373 -0.047 0.373 19623 45 1 8 "Average Difference" C 54 0.804 0.010 0.812 19623 46 1 8 "Average Difference" CA 54 0.696 -0.318 0.625 19623 47 1 8 "Average Difference" CB 49 0.823 0.093 0.827 19623 48 1 8 "Average Difference" HN 54 0.463 0.003 0.468 19623 49 1 9 "Average Difference" N 54 1.823 0.303 1.815 19623 50 1 9 "Average Difference" HA 56 0.368 -0.025 0.371 19623 51 1 9 "Average Difference" C 54 0.904 0.118 0.905 19623 52 1 9 "Average Difference" CA 54 0.706 -0.223 0.676 19623 53 1 9 "Average Difference" CB 49 0.766 0.095 0.768 19623 54 1 9 "Average Difference" HN 54 0.404 0.014 0.408 19623 55 1 10 "Average Difference" N 54 1.997 0.641 1.909 19623 56 1 10 "Average Difference" HA 56 0.353 -0.010 0.356 19623 57 1 10 "Average Difference" C 54 0.853 0.094 0.856 19623 58 1 10 "Average Difference" CA 54 0.631 -0.264 0.579 19623 59 1 10 "Average Difference" CB 49 0.745 0.117 0.744 19623 60 1 10 "Average Difference" HN 54 0.436 0.034 0.438 19623 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 19623 _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 GLY N N 2 113.169 113.169 109.433 3.736 19623 2 1 . 1 1 2 2 GLY C C 2 173.996 173.996 173.851 0.145 19623 3 1 . 1 1 2 2 GLY CA C 2 45.211 45.211 45.010 0.201 19623 4 1 . 1 1 2 2 GLY H H 2 8.533 8.533 8.359 0.174 19623 5 1 . 1 1 3 3 ASP N N 3 120.717 120.717 120.556 0.161 19623 6 1 . 1 1 3 3 ASP HA H 3 4.559 4.559 4.589 -0.030 19623 7 1 . 1 1 3 3 ASP C C 3 176.675 176.675 176.365 0.310 19623 8 1 . 1 1 3 3 ASP CA C 3 54.489 54.489 53.810 0.678 19623 9 1 . 1 1 3 3 ASP CB C 3 41.197 41.197 41.469 -0.272 19623 10 1 . 1 1 3 3 ASP H H 3 8.412 8.412 8.196 0.216 19623 11 1 . 1 1 4 4 LYS N N 4 121.955 121.955 122.282 -0.327 19623 12 1 . 1 1 4 4 LYS HA H 4 4.246 4.246 4.137 0.109 19623 13 1 . 1 1 4 4 LYS C C 4 177.301 177.301 177.287 0.014 19623 14 1 . 1 1 4 4 LYS CA C 4 56.606 56.606 57.040 -0.434 19623 15 1 . 1 1 4 4 LYS CB C 4 32.436 32.436 32.636 -0.200 19623 16 1 . 1 1 4 4 LYS H H 4 8.490 8.490 8.328 0.162 19623 17 1 . 1 1 5 5 GLY N N 5 109.376 109.376 110.379 -1.002 19623 18 1 . 1 1 5 5 GLY C C 5 174.045 174.045 174.305 -0.260 19623 19 1 . 1 1 5 5 GLY CA C 5 45.305 45.305 44.893 0.412 19623 20 1 . 1 1 5 5 GLY H H 5 8.491 8.491 8.444 0.047 19623 21 1 . 1 1 6 6 TYR N N 6 120.416 120.416 120.424 -0.009 19623 22 1 . 1 1 6 6 TYR HA H 6 4.510 4.510 4.463 0.047 19623 23 1 . 1 1 6 6 TYR C C 6 175.952 175.952 175.841 0.111 19623 24 1 . 1 1 6 6 TYR CA C 6 58.383 58.383 57.324 1.059 19623 25 1 . 1 1 6 6 TYR CB C 6 38.562 38.562 38.803 -0.241 19623 26 1 . 1 1 6 6 TYR H H 6 8.134 8.134 8.104 0.030 19623 27 1 . 1 1 7 7 ASN N N 7 122.415 122.415 122.434 -0.020 19623 28 1 . 1 1 7 7 ASN HA H 7 4.588 4.588 4.705 -0.117 19623 29 1 . 1 1 7 7 ASN C C 7 175.521 175.521 176.355 -0.834 19623 30 1 . 1 1 7 7 ASN CA C 7 53.408 53.408 53.861 -0.454 19623 31 1 . 1 1 7 7 ASN CB C 7 38.780 38.780 38.931 -0.151 19623 32 1 . 1 1 7 7 ASN H H 7 8.557 8.557 8.686 -0.129 19623 33 1 . 1 1 8 8 GLY N N 8 109.431 109.431 109.555 -0.124 19623 34 1 . 1 1 8 8 GLY C C 8 175.609 175.609 175.570 0.039 19623 35 1 . 1 1 8 8 GLY CA C 8 45.990 45.990 45.540 0.450 19623 36 1 . 1 1 8 8 GLY H H 8 8.285 8.285 8.552 -0.267 19623 37 1 . 1 1 9 9 LEU N N 9 123.596 123.596 123.362 0.234 19623 38 1 . 1 1 9 9 LEU HA H 9 3.933 3.933 4.116 -0.183 19623 39 1 . 1 1 9 9 LEU C C 9 177.458 177.458 178.158 -0.700 19623 40 1 . 1 1 9 9 LEU CA C 9 58.248 58.248 57.793 0.455 19623 41 1 . 1 1 9 9 LEU CB C 9 41.690 41.690 41.697 -0.007 19623 42 1 . 1 1 9 9 LEU H H 9 8.136 8.136 8.035 0.101 19623 43 1 . 1 1 10 10 ALA N N 10 121.310 121.310 120.890 0.420 19623 44 1 . 1 1 10 10 ALA HA H 10 3.933 3.933 3.975 -0.042 19623 45 1 . 1 1 10 10 ALA C C 10 181.140 181.140 179.621 1.519 19623 46 1 . 1 1 10 10 ALA CA C 10 55.505 55.505 55.175 0.330 19623 47 1 . 1 1 10 10 ALA CB C 10 17.791 17.791 17.848 -0.057 19623 48 1 . 1 1 10 10 ALA H H 10 8.361 8.361 8.383 -0.022 19623 49 1 . 1 1 11 11 GLU N N 11 118.893 118.893 119.258 -0.365 19623 50 1 . 1 1 11 11 GLU HA H 11 3.992 3.992 3.977 0.015 19623 51 1 . 1 1 11 11 GLU C C 11 178.797 178.797 178.911 -0.114 19623 52 1 . 1 1 11 11 GLU CA C 11 59.892 59.892 59.251 0.641 19623 53 1 . 1 1 11 11 GLU CB C 11 28.991 28.991 29.427 -0.436 19623 54 1 . 1 1 11 11 GLU H H 11 8.490 8.490 8.365 0.125 19623 55 1 . 1 1 12 12 ALA N N 12 122.362 122.362 122.417 -0.055 19623 56 1 . 1 1 12 12 ALA HA H 12 4.080 4.080 4.066 0.014 19623 57 1 . 1 1 12 12 ALA C C 12 181.228 181.228 179.603 1.624 19623 58 1 . 1 1 12 12 ALA CA C 12 55.218 55.218 55.263 -0.045 19623 59 1 . 1 1 12 12 ALA CB C 12 18.462 18.462 18.347 0.115 19623 60 1 . 1 1 12 12 ALA H H 12 8.099 8.099 8.136 -0.037 19623 61 1 . 1 1 13 13 LYS N N 13 118.689 118.689 118.653 0.036 19623 62 1 . 1 1 13 13 LYS HA H 13 3.620 3.620 3.974 -0.354 19623 63 1 . 1 1 13 13 LYS C C 13 177.203 177.203 178.878 -1.675 19623 64 1 . 1 1 13 13 LYS CA C 13 60.390 60.390 59.965 0.425 19623 65 1 . 1 1 13 13 LYS CB C 13 33.624 33.624 32.359 1.265 19623 66 1 . 1 1 13 13 LYS H H 13 8.382 8.382 8.246 0.136 19623 67 1 . 1 1 14 14 GLU N N 14 117.865 117.865 119.863 -1.998 19623 68 1 . 1 1 14 14 GLU HA H 14 4.285 4.285 4.049 0.236 19623 69 1 . 1 1 14 14 GLU C C 14 179.404 179.404 178.976 0.428 19623 70 1 . 1 1 14 14 GLU CA C 14 60.007 60.007 59.541 0.466 19623 71 1 . 1 1 14 14 GLU CB C 14 29.418 29.418 29.479 -0.061 19623 72 1 . 1 1 14 14 GLU H H 14 7.952 7.952 8.104 -0.152 19623 73 1 . 1 1 15 15 LYS N N 15 119.020 119.020 119.227 -0.207 19623 74 1 . 1 1 15 15 LYS HA H 15 3.933 3.933 4.112 -0.179 19623 75 1 . 1 1 15 15 LYS C C 15 177.976 177.976 178.825 -0.849 19623 76 1 . 1 1 15 15 LYS CA C 15 59.591 59.591 59.266 0.325 19623 77 1 . 1 1 15 15 LYS CB C 15 32.275 32.275 32.402 -0.128 19623 78 1 . 1 1 15 15 LYS H H 15 8.029 8.029 7.959 0.070 19623 79 1 . 1 1 16 16 ALA N N 16 120.410 120.410 122.614 -2.204 19623 80 1 . 1 1 16 16 ALA HA H 16 3.962 3.962 4.155 -0.193 19623 81 1 . 1 1 16 16 ALA C C 16 179.140 179.140 179.697 -0.557 19623 82 1 . 1 1 16 16 ALA CA C 16 55.426 55.426 55.091 0.335 19623 83 1 . 1 1 16 16 ALA CB C 16 18.410 18.410 18.528 -0.118 19623 84 1 . 1 1 16 16 ALA H H 16 7.904 7.904 7.993 -0.089 19623 85 1 . 1 1 17 17 ILE N N 17 117.363 117.363 117.532 -0.169 19623 86 1 . 1 1 17 17 ILE HA H 17 5.850 5.850 3.697 2.153 19623 87 1 . 1 1 17 17 ILE C C 17 177.604 177.604 177.766 -0.162 19623 88 1 . 1 1 17 17 ILE CA C 17 66.545 66.545 64.790 1.755 19623 89 1 . 1 1 17 17 ILE CB C 17 37.843 37.843 37.732 0.111 19623 90 1 . 1 1 17 17 ILE H H 17 8.500 8.500 8.129 0.371 19623 91 1 . 1 1 18 18 LYS N N 18 119.838 119.838 121.130 -1.292 19623 92 1 . 1 1 18 18 LYS HA H 18 3.865 3.865 3.864 0.001 19623 93 1 . 1 1 18 18 LYS C C 18 176.653 176.653 178.761 -2.108 19623 94 1 . 1 1 18 18 LYS CA C 18 60.189 60.189 60.282 -0.093 19623 95 1 . 1 1 18 18 LYS CB C 18 32.260 32.260 32.152 0.108 19623 96 1 . 1 1 18 18 LYS H H 18 7.833 7.833 8.094 -0.261 19623 97 1 . 1 1 19 19 ASP N N 19 120.497 120.497 120.001 0.496 19623 98 1 . 1 1 19 19 ASP HA H 19 4.569 4.569 4.298 0.272 19623 99 1 . 1 1 19 19 ASP C C 19 179.120 179.120 178.862 0.258 19623 100 1 . 1 1 19 19 ASP CA C 19 57.108 57.108 57.085 0.023 19623 101 1 . 1 1 19 19 ASP CB C 19 40.853 40.853 40.471 0.382 19623 102 1 . 1 1 19 19 ASP H H 19 8.479 8.479 7.900 0.579 19623 103 1 . 1 1 20 20 LEU N N 20 121.660 121.660 120.278 1.382 19623 104 1 . 1 1 20 20 LEU HA H 20 4.148 4.148 4.057 0.091 19623 105 1 . 1 1 20 20 LEU C C 20 178.377 178.377 178.950 -0.573 19623 106 1 . 1 1 20 20 LEU CA C 20 58.225 58.225 58.261 -0.037 19623 107 1 . 1 1 20 20 LEU CB C 20 41.585 41.585 41.709 -0.124 19623 108 1 . 1 1 20 20 LEU H H 20 8.136 8.136 7.985 0.151 19623 109 1 . 1 1 21 21 LYS N N 21 120.182 120.182 119.213 0.969 19623 110 1 . 1 1 21 21 LYS HA H 21 3.904 3.904 4.082 -0.178 19623 111 1 . 1 1 21 21 LYS C C 21 179.785 179.785 179.432 0.353 19623 112 1 . 1 1 21 21 LYS CA C 21 59.557 59.557 59.248 0.309 19623 113 1 . 1 1 21 21 LYS CB C 21 29.655 29.655 32.372 -2.717 19623 114 1 . 1 1 21 21 LYS H H 21 8.043 8.043 8.081 -0.038 19623 115 1 . 1 1 22 22 ILE N N 22 121.523 121.523 119.557 1.966 19623 116 1 . 1 1 22 22 ILE HA H 22 3.522 3.522 3.699 -0.177 19623 117 1 . 1 1 22 22 ILE C C 22 177.399 177.399 177.600 -0.201 19623 118 1 . 1 1 22 22 ILE CA C 22 64.863 64.863 64.264 0.599 19623 119 1 . 1 1 22 22 ILE CB C 22 38.046 38.046 37.887 0.159 19623 120 1 . 1 1 22 22 ILE H H 22 8.735 8.735 7.641 1.094 19623 121 1 . 1 1 23 23 TYR N N 23 117.506 117.506 117.288 0.218 19623 122 1 . 1 1 23 23 TYR HA H 23 4.481 4.481 4.434 0.047 19623 123 1 . 1 1 23 23 TYR C C 23 176.020 176.020 176.369 -0.349 19623 124 1 . 1 1 23 23 TYR CA C 23 58.369 58.369 58.649 -0.280 19623 125 1 . 1 1 23 23 TYR CB C 23 38.499 38.499 38.402 0.097 19623 126 1 . 1 1 23 23 TYR H H 23 7.291 7.291 7.699 -0.408 19623 127 1 . 1 1 24 24 GLY N N 24 108.209 108.209 106.779 1.430 19623 128 1 . 1 1 24 24 GLY C C 24 174.651 174.651 174.570 0.081 19623 129 1 . 1 1 24 24 GLY CA C 24 46.409 46.409 44.978 1.431 19623 130 1 . 1 1 24 24 GLY H H 24 7.910 7.910 7.580 0.330 19623 131 1 . 1 1 25 25 ILE N N 25 119.897 119.897 121.698 -1.801 19623 132 1 . 1 1 25 25 ILE HA H 25 3.747 3.747 4.061 -0.314 19623 133 1 . 1 1 25 25 ILE C C 25 175.864 175.864 176.382 -0.518 19623 134 1 . 1 1 25 25 ILE CA C 25 60.984 60.984 60.828 0.156 19623 135 1 . 1 1 25 25 ILE CB C 25 37.120 37.120 38.522 -1.402 19623 136 1 . 1 1 25 25 ILE H H 25 7.383 7.383 8.021 -0.638 19623 137 1 . 1 1 26 26 GLY N N 26 111.580 111.580 114.679 -3.099 19623 138 1 . 1 1 26 26 GLY C C 26 174.847 174.847 175.172 -0.325 19623 139 1 . 1 1 26 26 GLY CA C 26 45.322 45.322 44.505 0.817 19623 140 1 . 1 1 26 26 GLY H H 26 8.811 8.811 8.354 0.457 19623 141 1 . 1 1 27 27 GLU N N 27 120.229 120.229 120.598 -0.369 19623 142 1 . 1 1 27 27 GLU C C 27 177.311 177.311 178.560 -1.249 19623 143 1 . 1 1 27 27 GLU CA C 27 59.730 59.730 59.431 0.299 19623 144 1 . 1 1 27 27 GLU CB C 27 29.933 29.933 29.718 0.215 19623 145 1 . 1 1 27 27 GLU H H 27 8.711 8.711 8.963 -0.252 19623 146 1 . 1 1 28 28 HIS N N 28 117.558 117.558 118.568 -1.010 19623 147 1 . 1 1 28 28 HIS C C 28 176.949 176.949 176.583 0.366 19623 148 1 . 1 1 28 28 HIS CA C 28 59.674 59.674 59.368 0.306 19623 149 1 . 1 1 28 28 HIS CB C 28 29.838 29.838 29.403 0.435 19623 150 1 . 1 1 28 28 HIS H H 28 8.870 8.870 8.576 0.294 19623 151 1 . 1 1 29 29 TYR N N 29 115.589 115.589 115.748 -0.159 19623 152 1 . 1 1 29 29 TYR HA H 29 4.090 4.090 4.387 -0.297 19623 153 1 . 1 1 29 29 TYR C C 29 177.552 177.552 177.651 -0.099 19623 154 1 . 1 1 29 29 TYR CA C 29 60.998 60.998 60.524 0.474 19623 155 1 . 1 1 29 29 TYR CB C 29 38.683 38.683 38.983 -0.300 19623 156 1 . 1 1 29 29 TYR H H 29 7.227 7.227 7.637 -0.410 19623 157 1 . 1 1 30 30 ILE N N 30 120.353 120.353 121.121 -0.768 19623 158 1 . 1 1 30 30 ILE HA H 30 3.444 3.444 3.587 -0.143 19623 159 1 . 1 1 30 30 ILE C C 30 178.211 178.211 177.682 0.529 19623 160 1 . 1 1 30 30 ILE CA C 30 65.640 65.640 65.327 0.313 19623 161 1 . 1 1 30 30 ILE CB C 30 37.553 37.553 37.597 -0.043 19623 162 1 . 1 1 30 30 ILE H H 30 7.485 7.485 7.824 -0.339 19623 163 1 . 1 1 31 31 LYS N N 31 117.249 117.249 119.296 -2.047 19623 164 1 . 1 1 31 31 LYS HA H 31 4.011 4.011 4.144 -0.133 19623 165 1 . 1 1 31 31 LYS C C 31 178.954 178.954 178.846 0.108 19623 166 1 . 1 1 31 31 LYS CA C 31 58.893 58.893 59.135 -0.242 19623 167 1 . 1 1 31 31 LYS CB C 31 31.673 31.673 32.134 -0.461 19623 168 1 . 1 1 31 31 LYS H H 31 8.064 8.064 8.121 -0.057 19623 169 1 . 1 1 32 32 LEU N N 32 117.176 117.176 119.733 -2.557 19623 170 1 . 1 1 32 32 LEU HA H 32 3.894 3.894 3.956 -0.062 19623 171 1 . 1 1 32 32 LEU C C 32 179.883 179.883 178.529 1.354 19623 172 1 . 1 1 32 32 LEU CA C 32 57.987 57.987 57.569 0.418 19623 173 1 . 1 1 32 32 LEU CB C 32 41.255 41.255 41.681 -0.426 19623 174 1 . 1 1 32 32 LEU H H 32 7.154 7.154 7.344 -0.190 19623 175 1 . 1 1 33 33 ILE N N 33 118.598 118.598 117.194 1.404 19623 176 1 . 1 1 33 33 ILE HA H 33 3.571 3.571 3.758 -0.187 19623 177 1 . 1 1 33 33 ILE C C 33 177.917 177.917 178.593 -0.675 19623 178 1 . 1 1 33 33 ILE CA C 33 63.579 63.579 63.423 0.156 19623 179 1 . 1 1 33 33 ILE CB C 33 35.702 35.702 37.495 -1.793 19623 180 1 . 1 1 33 33 ILE H H 33 7.412 7.412 7.512 -0.100 19623 181 1 . 1 1 34 34 GLU N N 34 116.574 116.574 120.086 -3.512 19623 182 1 . 1 1 34 34 GLU HA H 34 3.826 3.826 4.026 -0.200 19623 183 1 . 1 1 34 34 GLU C C 34 178.661 178.661 178.487 0.174 19623 184 1 . 1 1 34 34 GLU CA C 34 59.689 59.689 59.618 0.071 19623 185 1 . 1 1 34 34 GLU CB C 34 29.855 29.855 29.309 0.546 19623 186 1 . 1 1 34 34 GLU H H 34 7.987 7.987 7.907 0.080 19623 187 1 . 1 1 35 35 LYS N N 35 114.863 114.863 117.724 -2.861 19623 188 1 . 1 1 35 35 LYS HA H 35 4.207 4.207 4.299 -0.092 19623 189 1 . 1 1 35 35 LYS C C 35 176.861 176.861 175.871 0.990 19623 190 1 . 1 1 35 35 LYS CA C 35 56.328 56.328 55.452 0.876 19623 191 1 . 1 1 35 35 LYS CB C 35 33.007 33.007 32.685 0.322 19623 192 1 . 1 1 35 35 LYS H H 35 7.361 7.361 7.643 -0.282 19623 193 1 . 1 1 36 36 ALA N N 36 124.407 124.407 124.366 0.041 19623 194 1 . 1 1 36 36 ALA HA H 36 4.129 4.129 4.258 -0.129 19623 195 1 . 1 1 36 36 ALA C C 36 178.279 178.279 177.313 0.966 19623 196 1 . 1 1 36 36 ALA CA C 36 53.257 53.257 52.869 0.388 19623 197 1 . 1 1 36 36 ALA CB C 36 19.581 19.581 19.735 -0.153 19623 198 1 . 1 1 36 36 ALA H H 36 7.365 7.365 7.446 -0.081 19623 199 1 . 1 1 37 37 LYS N N 37 116.217 116.217 119.512 -3.295 19623 200 1 . 1 1 37 37 LYS HA H 37 4.383 4.383 4.320 0.063 19623 201 1 . 1 1 37 37 LYS C C 37 176.167 176.167 176.070 0.097 19623 202 1 . 1 1 37 37 LYS CA C 37 56.602 56.602 56.991 -0.389 19623 203 1 . 1 1 37 37 LYS CB C 37 34.883 34.883 33.237 1.646 19623 204 1 . 1 1 37 37 LYS H H 37 8.908 8.908 8.652 0.256 19623 205 1 . 1 1 38 38 GLN N N 38 113.293 113.293 116.436 -3.143 19623 206 1 . 1 1 38 38 GLN HA H 38 4.813 4.813 4.553 0.260 19623 207 1 . 1 1 38 38 GLN C C 38 176.138 176.138 175.925 0.213 19623 208 1 . 1 1 38 38 GLN CA C 38 54.117 54.117 54.411 -0.294 19623 209 1 . 1 1 38 38 GLN CB C 38 32.222 32.222 31.727 0.494 19623 210 1 . 1 1 38 38 GLN H H 38 7.033 7.033 7.655 -0.622 19623 211 1 . 1 1 39 39 VAL N N 39 125.474 125.474 122.671 2.803 19623 212 1 . 1 1 39 39 VAL C C 39 177.751 177.751 177.491 0.260 19623 213 1 . 1 1 39 39 VAL CA C 39 67.737 67.737 66.278 1.459 19623 214 1 . 1 1 39 39 VAL CB C 39 31.438 31.438 31.706 -0.268 19623 215 1 . 1 1 39 39 VAL H H 39 9.250 9.250 8.864 0.386 19623 216 1 . 1 1 40 40 ALA N N 40 120.717 120.717 122.468 -1.751 19623 217 1 . 1 1 40 40 ALA HA H 40 4.041 4.041 4.090 -0.049 19623 218 1 . 1 1 40 40 ALA C C 40 179.081 179.081 179.291 -0.209 19623 219 1 . 1 1 40 40 ALA CA C 40 55.059 55.059 55.171 -0.112 19623 220 1 . 1 1 40 40 ALA CB C 40 17.735 17.735 17.911 -0.176 19623 221 1 . 1 1 40 40 ALA H H 40 8.903 8.903 8.393 0.510 19623 222 1 . 1 1 41 41 ALA N N 41 116.698 116.698 121.199 -4.501 19623 223 1 . 1 1 41 41 ALA HA H 41 4.236 4.236 4.052 0.184 19623 224 1 . 1 1 41 41 ALA C C 41 180.294 180.294 179.827 0.467 19623 225 1 . 1 1 41 41 ALA CA C 41 54.688 54.688 54.642 0.046 19623 226 1 . 1 1 41 41 ALA CB C 41 18.724 18.724 18.206 0.518 19623 227 1 . 1 1 41 41 ALA H H 41 6.701 6.701 7.860 -1.159 19623 228 1 . 1 1 42 42 VAL N N 42 119.051 119.051 118.973 0.078 19623 229 1 . 1 1 42 42 VAL HA H 42 3.278 3.278 3.480 -0.202 19623 230 1 . 1 1 42 42 VAL C C 42 176.812 176.812 178.337 -1.525 19623 231 1 . 1 1 42 42 VAL CA C 42 67.641 67.641 67.090 0.551 19623 232 1 . 1 1 42 42 VAL CB C 42 31.399 31.399 31.645 -0.246 19623 233 1 . 1 1 42 42 VAL H H 42 7.552 7.552 8.095 -0.544 19623 234 1 . 1 1 43 43 GLU N N 43 117.715 117.715 119.591 -1.876 19623 235 1 . 1 1 43 43 GLU HA H 43 3.855 3.855 4.015 -0.160 19623 236 1 . 1 1 43 43 GLU C C 43 178.973 178.973 178.936 0.037 19623 237 1 . 1 1 43 43 GLU CA C 43 59.393 59.393 59.847 -0.454 19623 238 1 . 1 1 43 43 GLU CB C 43 28.811 28.811 29.462 -0.651 19623 239 1 . 1 1 43 43 GLU H H 43 7.804 7.804 8.110 -0.306 19623 240 1 . 1 1 44 44 ASP N N 44 119.175 119.175 120.535 -1.360 19623 241 1 . 1 1 44 44 ASP HA H 44 4.363 4.363 4.464 -0.101 19623 242 1 . 1 1 44 44 ASP C C 44 178.211 178.211 178.876 -0.665 19623 243 1 . 1 1 44 44 ASP CA C 44 57.308 57.308 57.149 0.159 19623 244 1 . 1 1 44 44 ASP CB C 44 40.504 40.504 40.596 -0.091 19623 245 1 . 1 1 44 44 ASP H H 44 8.169 8.169 8.197 -0.028 19623 246 1 . 1 1 45 45 LEU N N 45 117.848 117.848 120.416 -2.568 19623 247 1 . 1 1 45 45 LEU HA H 45 4.119 4.119 3.986 0.133 19623 248 1 . 1 1 45 45 LEU C C 45 178.416 178.416 178.686 -0.270 19623 249 1 . 1 1 45 45 LEU CA C 45 57.294 57.294 57.794 -0.500 19623 250 1 . 1 1 45 45 LEU CB C 45 40.474 40.474 41.855 -1.381 19623 251 1 . 1 1 45 45 LEU H H 45 8.119 8.119 8.404 -0.285 19623 252 1 . 1 1 46 46 LYS N N 46 119.462 119.462 119.886 -0.424 19623 253 1 . 1 1 46 46 LYS HA H 46 3.972 3.972 3.872 0.100 19623 254 1 . 1 1 46 46 LYS C C 46 177.653 177.653 178.678 -1.025 19623 255 1 . 1 1 46 46 LYS CA C 46 60.276 60.276 60.101 0.175 19623 256 1 . 1 1 46 46 LYS CB C 46 31.450 31.450 32.098 -0.649 19623 257 1 . 1 1 46 46 LYS H H 46 8.483 8.483 8.110 0.373 19623 258 1 . 1 1 47 47 ASP N N 47 117.470 117.470 119.424 -1.954 19623 259 1 . 1 1 47 47 ASP HA H 47 4.344 4.344 4.485 -0.141 19623 260 1 . 1 1 47 47 ASP C C 47 179.384 179.384 178.868 0.516 19623 261 1 . 1 1 47 47 ASP CA C 47 57.687 57.687 57.353 0.334 19623 262 1 . 1 1 47 47 ASP CB C 47 40.809 40.809 40.305 0.504 19623 263 1 . 1 1 47 47 ASP H H 47 7.846 7.846 7.995 -0.149 19623 264 1 . 1 1 48 48 GLU N N 48 119.662 119.662 120.034 -0.372 19623 265 1 . 1 1 48 48 GLU HA H 48 4.011 4.011 4.069 -0.057 19623 266 1 . 1 1 48 48 GLU C C 48 180.724 180.724 179.339 1.385 19623 267 1 . 1 1 48 48 GLU CA C 48 60.091 60.091 58.833 1.258 19623 268 1 . 1 1 48 48 GLU CB C 48 31.991 31.991 29.504 2.487 19623 269 1 . 1 1 48 48 GLU H H 48 8.327 8.327 7.850 0.477 19623 270 1 . 1 1 49 49 ILE N N 49 120.308 120.308 120.704 -0.396 19623 271 1 . 1 1 49 49 ILE HA H 49 3.738 3.738 3.647 0.091 19623 272 1 . 1 1 49 49 ILE C C 49 179.238 179.238 178.034 1.204 19623 273 1 . 1 1 49 49 ILE CA C 49 64.592 64.592 65.325 -0.733 19623 274 1 . 1 1 49 49 ILE CB C 49 37.959 37.959 37.990 -0.031 19623 275 1 . 1 1 49 49 ILE H H 49 7.667 7.667 8.474 -0.807 19623 276 1 . 1 1 50 50 LEU N N 50 121.274 121.274 120.195 1.079 19623 277 1 . 1 1 50 50 LEU HA H 50 4.559 4.559 3.915 0.645 19623 278 1 . 1 1 50 50 LEU C C 50 179.971 179.971 178.673 1.298 19623 279 1 . 1 1 50 50 LEU CA C 50 57.794 57.794 57.832 -0.038 19623 280 1 . 1 1 50 50 LEU CB C 50 40.856 40.856 41.382 -0.526 19623 281 1 . 1 1 50 50 LEU H H 50 8.474 8.474 7.956 0.518 19623 282 1 . 1 1 51 51 LYS N N 51 119.972 119.972 119.439 0.533 19623 283 1 . 1 1 51 51 LYS HA H 51 3.982 3.982 3.923 0.059 19623 284 1 . 1 1 51 51 LYS C C 51 179.189 179.189 179.194 -0.005 19623 285 1 . 1 1 51 51 LYS CA C 51 59.526 59.526 59.520 0.006 19623 286 1 . 1 1 51 51 LYS CB C 51 32.175 32.175 32.074 0.101 19623 287 1 . 1 1 51 51 LYS H H 51 8.197 8.197 8.133 0.064 19623 288 1 . 1 1 52 52 ALA N N 52 121.059 121.059 120.986 0.073 19623 289 1 . 1 1 52 52 ALA HA H 52 4.158 4.158 4.047 0.111 19623 290 1 . 1 1 52 52 ALA C C 52 178.015 178.015 178.645 -0.630 19623 291 1 . 1 1 52 52 ALA CA C 52 53.662 53.662 54.376 -0.714 19623 292 1 . 1 1 52 52 ALA CB C 52 17.903 17.903 18.357 -0.454 19623 293 1 . 1 1 52 52 ALA H H 52 7.809 7.809 7.708 0.101 19623 294 1 . 1 1 53 53 HIS N N 53 115.943 115.943 115.206 0.737 19623 295 1 . 1 1 53 53 HIS HA H 53 4.373 4.373 4.407 -0.034 19623 296 1 . 1 1 53 53 HIS C C 53 174.015 174.015 175.062 -1.047 19623 297 1 . 1 1 53 53 HIS CA C 53 57.409 57.409 57.106 0.303 19623 298 1 . 1 1 53 53 HIS CB C 53 29.010 29.010 30.136 -1.126 19623 299 1 . 1 1 53 53 HIS H H 53 7.598 7.598 7.626 -0.028 19623 300 1 . 1 1 54 54 ASP N N 54 119.133 119.133 117.172 1.961 19623 301 1 . 1 1 54 54 ASP HA H 54 4.442 4.442 4.319 0.123 19623 302 1 . 1 1 54 54 ASP C C 54 175.609 175.609 175.909 -0.300 19623 303 1 . 1 1 54 54 ASP CA C 54 54.971 54.971 55.583 -0.611 19623 304 1 . 1 1 54 54 ASP CB C 54 40.209 40.209 39.735 0.475 19623 305 1 . 1 1 54 54 ASP H H 54 7.974 7.974 7.921 0.053 19623 306 1 . 1 1 55 55 ARG N N 55 118.206 118.206 118.112 0.095 19623 307 1 . 1 1 55 55 ARG HA H 55 4.324 4.324 4.340 -0.016 19623 308 1 . 1 1 55 55 ARG C C 55 174.671 174.671 175.296 -0.625 19623 309 1 . 1 1 55 55 ARG CA C 55 54.785 54.785 55.217 -0.432 19623 310 1 . 1 1 55 55 ARG CB C 55 30.507 30.507 30.403 0.104 19623 311 1 . 1 1 55 55 ARG H H 55 7.943 7.943 7.865 0.077 19623 stop_ save_