data_19215 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19215 _Entry.PDB_ID 2M7W 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 19215 _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 TYR N N 2 120.470 120.470 121.426 -0.956 19215 2 1 1 . 1 1 2 2 TYR C C 2 176.535 176.535 175.792 0.743 19215 3 1 1 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.135 -1.140 19215 4 1 1 . 1 1 2 2 TYR CB C 2 37.313 37.313 40.291 -2.978 19215 5 1 1 . 1 1 2 2 TYR H H 2 7.951 7.951 8.097 -0.146 19215 6 1 1 . 1 1 3 3 ILE N N 3 118.307 118.307 122.252 -3.945 19215 7 1 1 . 1 1 3 3 ILE CA C 3 58.968 58.968 60.982 -2.014 19215 8 1 1 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.091 1.983 19215 9 1 1 . 1 1 3 3 ILE H H 3 8.381 8.381 8.439 -0.058 19215 10 1 1 . 1 1 5 5 GLU N N 5 118.785 118.785 121.404 -2.619 19215 11 1 1 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.380 -0.125 19215 12 1 1 . 1 1 5 5 GLU C C 5 176.267 176.267 175.737 0.530 19215 13 1 1 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.371 -0.412 19215 14 1 1 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.432 -0.398 19215 15 1 1 . 1 1 5 5 GLU H H 5 7.710 7.710 8.503 -0.793 19215 16 1 1 . 1 1 6 6 ALA N N 6 131.546 131.546 123.993 7.553 19215 17 1 1 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.147 -0.572 19215 18 1 1 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.822 -0.863 19215 19 1 1 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.681 -3.292 19215 20 1 1 . 1 1 6 6 ALA H H 6 8.338 8.338 7.886 0.452 19215 21 1 1 . 1 1 8 8 ARG N N 8 126.915 126.915 124.348 2.567 19215 22 1 1 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.630 -0.560 19215 23 1 1 . 1 1 8 8 ARG C C 8 175.110 175.110 175.038 0.072 19215 24 1 1 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.507 -0.808 19215 25 1 1 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.163 -3.085 19215 26 1 1 . 1 1 8 8 ARG H H 8 8.725 8.725 8.539 0.186 19215 27 1 1 . 1 1 9 9 ASP N N 9 123.653 123.653 123.209 0.444 19215 28 1 1 . 1 1 9 9 ASP C C 9 178.015 178.015 176.822 1.193 19215 29 1 1 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.758 -2.011 19215 30 1 1 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.240 -0.396 19215 31 1 1 . 1 1 9 9 ASP H H 9 8.432 8.432 8.515 -0.083 19215 32 1 1 . 1 1 10 10 GLY N N 10 111.908 111.908 108.363 3.545 19215 33 1 1 . 1 1 10 10 GLY C C 10 174.822 174.822 175.006 -0.184 19215 34 1 1 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.312 -0.069 19215 35 1 1 . 1 1 10 10 GLY H H 10 9.727 9.727 8.142 1.585 19215 36 1 1 . 1 1 11 11 GLN N N 11 118.395 118.395 119.238 -0.843 19215 37 1 1 . 1 1 11 11 GLN C C 11 174.711 174.711 174.026 0.685 19215 38 1 1 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.476 -2.078 19215 39 1 1 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.725 0.581 19215 40 1 1 . 1 1 11 11 GLN H H 11 8.416 8.416 7.697 0.719 19215 41 1 1 . 1 1 12 12 ALA N N 12 121.020 121.020 126.060 -5.040 19215 42 1 1 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.503 0.440 19215 43 1 1 . 1 1 12 12 ALA C C 12 177.990 177.990 175.565 2.425 19215 44 1 1 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.056 -0.545 19215 45 1 1 . 1 1 12 12 ALA CB C 12 20.147 20.147 21.084 -0.937 19215 46 1 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.344 -0.411 19215 47 1 1 . 1 1 13 13 TYR N N 13 121.755 121.755 116.386 5.369 19215 48 1 1 . 1 1 13 13 TYR C C 13 175.519 175.519 173.149 2.370 19215 49 1 1 . 1 1 13 13 TYR CA C 13 59.090 59.090 53.912 5.178 19215 50 1 1 . 1 1 13 13 TYR CB C 13 43.180 43.180 39.736 3.443 19215 51 1 1 . 1 1 13 13 TYR H H 13 9.575 9.575 8.323 1.252 19215 52 1 1 . 1 1 14 14 VAL N N 14 112.251 112.251 120.181 -7.930 19215 53 1 1 . 1 1 14 14 VAL C C 14 174.074 174.074 175.344 -1.270 19215 54 1 1 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.599 -0.509 19215 55 1 1 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.388 -2.638 19215 56 1 1 . 1 1 14 14 VAL H H 14 9.659 9.659 8.983 0.676 19215 57 1 1 . 1 1 15 15 ARG N N 15 124.657 124.657 122.536 2.121 19215 58 1 1 . 1 1 15 15 ARG C C 15 174.948 174.948 175.599 -0.651 19215 59 1 1 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.235 -1.715 19215 60 1 1 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.852 2.682 19215 61 1 1 . 1 1 15 15 ARG H H 15 8.503 8.503 8.510 -0.007 19215 62 1 1 . 1 1 16 16 LYS N N 16 128.240 128.240 124.821 3.419 19215 63 1 1 . 1 1 16 16 LYS C C 16 175.974 175.974 175.358 0.616 19215 64 1 1 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.435 0.341 19215 65 1 1 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.652 0.901 19215 66 1 1 . 1 1 16 16 LYS H H 16 9.052 9.052 8.648 0.404 19215 67 1 1 . 1 1 17 17 ASP N N 17 130.562 130.562 124.366 6.196 19215 68 1 1 . 1 1 17 17 ASP C C 17 175.822 175.822 176.210 -0.388 19215 69 1 1 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.462 1.985 19215 70 1 1 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.429 0.763 19215 71 1 1 . 1 1 17 17 ASP H H 17 10.886 10.886 8.902 1.984 19215 72 1 1 . 1 1 18 18 GLY N N 18 104.754 104.754 104.201 0.553 19215 73 1 1 . 1 1 18 18 GLY C C 18 173.104 173.104 173.150 -0.046 19215 74 1 1 . 1 1 18 18 GLY CA C 18 45.244 45.244 44.984 0.260 19215 75 1 1 . 1 1 18 18 GLY H H 18 9.353 9.353 8.227 1.126 19215 76 1 1 . 1 1 19 19 GLU N N 19 117.501 117.501 118.251 -0.750 19215 77 1 1 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.733 0.915 19215 78 1 1 . 1 1 19 19 GLU C C 19 176.166 176.166 174.917 1.249 19215 79 1 1 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.107 -0.242 19215 80 1 1 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.013 0.117 19215 81 1 1 . 1 1 19 19 GLU H H 19 7.813 7.813 8.158 -0.345 19215 82 1 1 . 1 1 20 20 TRP N N 20 122.768 122.768 122.065 0.703 19215 83 1 1 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.066 -0.399 19215 84 1 1 . 1 1 20 20 TRP C C 20 176.302 176.302 176.729 -0.427 19215 85 1 1 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.495 0.383 19215 86 1 1 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.294 0.251 19215 87 1 1 . 1 1 20 20 TRP H H 20 9.094 9.094 7.619 1.476 19215 88 1 1 . 1 1 21 21 VAL N N 21 123.071 123.071 119.878 3.193 19215 89 1 1 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.614 0.371 19215 90 1 1 . 1 1 21 21 VAL C C 21 175.640 175.640 175.027 0.613 19215 91 1 1 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.917 -0.380 19215 92 1 1 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.773 -0.122 19215 93 1 1 . 1 1 21 21 VAL H H 21 9.868 9.868 8.599 1.269 19215 94 1 1 . 1 1 22 22 LEU N N 22 127.193 127.193 127.449 -0.256 19215 95 1 1 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.690 -0.268 19215 96 1 1 . 1 1 22 22 LEU C C 22 179.268 179.268 178.651 0.617 19215 97 1 1 . 1 1 22 22 LEU CA C 22 55.634 55.634 54.946 0.688 19215 98 1 1 . 1 1 22 22 LEU CB C 22 41.279 41.279 42.220 -0.941 19215 99 1 1 . 1 1 22 22 LEU H H 22 8.812 8.812 8.864 -0.052 19215 100 1 1 . 1 1 23 23 LEU N N 23 126.386 126.386 124.761 1.625 19215 101 1 1 . 1 1 23 23 LEU C C 23 178.844 178.844 178.269 0.575 19215 102 1 1 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.623 -0.221 19215 103 1 1 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.666 -0.605 19215 104 1 1 . 1 1 23 23 LEU H H 23 8.562 8.562 8.652 -0.090 19215 105 1 1 . 1 1 24 24 SER N N 24 113.100 113.100 116.611 -3.511 19215 106 1 1 . 1 1 24 24 SER HA H 24 4.621 4.621 4.136 0.485 19215 107 1 1 . 1 1 24 24 SER C C 24 176.676 176.676 176.130 0.546 19215 108 1 1 . 1 1 24 24 SER CA C 24 60.960 60.960 61.467 -0.507 19215 109 1 1 . 1 1 24 24 SER CB C 24 61.650 61.650 62.863 -1.213 19215 110 1 1 . 1 1 24 24 SER H H 24 9.098 9.098 8.661 0.437 19215 111 1 1 . 1 1 25 25 THR N N 25 116.715 116.715 114.849 1.866 19215 112 1 1 . 1 1 25 25 THR HA H 25 3.915 3.915 4.173 -0.258 19215 113 1 1 . 1 1 25 25 THR CA C 25 64.599 64.599 64.932 -0.333 19215 114 1 1 . 1 1 25 25 THR CB C 25 68.657 68.657 68.856 -0.199 19215 115 1 1 . 1 1 25 25 THR H H 25 7.238 7.238 8.004 -0.766 19215 116 1 1 . 1 1 26 26 PHE N N 26 118.488 118.488 121.003 -2.515 19215 117 1 1 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.604 -0.494 19215 118 1 1 . 1 1 26 26 PHE C C 26 176.181 176.181 176.092 0.089 19215 119 1 1 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.042 -0.415 19215 120 1 1 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.952 -0.159 19215 121 1 1 . 1 1 26 26 PHE H H 26 7.945 7.945 8.000 -0.055 19215 122 1 1 . 1 1 27 27 LEU N N 27 118.525 118.525 120.061 -1.536 19215 123 1 1 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.148 0.375 19215 124 1 1 . 1 1 27 27 LEU C C 27 177.752 177.752 177.816 -0.064 19215 125 1 1 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.636 -0.957 19215 126 1 1 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.688 -1.355 19215 127 1 1 . 1 1 27 27 LEU H H 27 7.290 7.290 7.838 -0.548 19215 128 1 1 . 1 1 28 28 GLY N N 28 108.823 108.823 105.882 2.941 19215 129 1 1 . 1 1 28 28 GLY C C 28 174.630 174.630 174.525 0.105 19215 130 1 1 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.667 0.707 19215 131 1 1 . 1 1 28 28 GLY H H 28 8.242 8.242 8.227 0.015 19215 132 1 1 . 1 1 29 29 SER N N 29 116.210 116.210 117.097 -0.887 19215 133 1 1 . 1 1 29 29 SER HA H 29 4.626 4.626 3.965 0.661 19215 134 1 1 . 1 1 29 29 SER C C 29 175.312 175.312 175.010 0.302 19215 135 1 1 . 1 1 29 29 SER CA C 29 57.992 57.992 60.516 -2.524 19215 136 1 1 . 1 1 29 29 SER CB C 29 63.605 63.605 62.454 1.151 19215 137 1 1 . 1 1 29 29 SER H H 29 8.310 8.310 8.563 -0.253 19215 138 1 1 . 1 1 30 30 SER N N 30 118.892 118.892 114.690 4.202 19215 139 1 1 . 1 1 30 30 SER HA H 30 4.597 4.597 4.195 0.402 19215 140 1 1 . 1 1 30 30 SER C C 30 175.479 175.479 174.868 0.611 19215 141 1 1 . 1 1 30 30 SER CA C 30 58.582 58.582 60.039 -1.457 19215 142 1 1 . 1 1 30 30 SER CB C 30 63.605 63.605 62.777 0.828 19215 143 1 1 . 1 1 30 30 SER H H 30 8.593 8.593 8.759 -0.166 19215 144 1 1 . 1 1 31 31 GLY N N 31 111.354 111.354 105.641 5.713 19215 145 1 1 . 1 1 31 31 GLY C C 31 174.428 174.428 174.665 -0.237 19215 146 1 1 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.544 -0.088 19215 147 1 1 . 1 1 31 31 GLY H H 31 8.584 8.584 8.225 0.359 19215 148 1 1 . 1 1 32 32 ASN N N 32 119.486 119.486 114.805 4.681 19215 149 1 1 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.318 0.499 19215 150 1 1 . 1 1 32 32 ASN C C 32 175.928 175.928 175.701 0.227 19215 151 1 1 . 1 1 32 32 ASN CA C 32 53.215 53.215 55.194 -1.979 19215 152 1 1 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.474 1.306 19215 153 1 1 . 1 1 32 32 ASN H H 32 8.393 8.393 8.470 -0.077 19215 154 1 1 . 1 1 33 33 GLU N N 33 122.031 122.031 119.424 2.607 19215 155 1 1 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.897 0.374 19215 156 1 1 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.428 -2.002 19215 157 1 1 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.427 -0.099 19215 158 1 1 . 1 1 33 33 GLU H H 33 8.711 8.711 8.085 0.626 19215 159 1 1 . 1 1 34 34 GLN N N 34 120.866 120.866 115.182 5.684 19215 160 1 1 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.347 -0.076 19215 161 1 1 . 1 1 34 34 GLN CA C 34 56.226 56.226 57.803 -1.577 19215 162 1 1 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.729 0.110 19215 163 1 1 . 1 1 34 34 GLN H H 34 8.438 8.438 7.790 0.648 19215 164 1 1 . 1 1 35 35 GLU N N 35 122.323 122.323 118.587 3.736 19215 165 1 1 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.226 0.093 19215 166 1 1 . 1 1 35 35 GLU C C 35 177.176 177.176 178.234 -1.058 19215 167 1 1 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.333 -1.337 19215 168 1 1 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.905 -0.360 19215 169 1 1 . 1 1 35 35 GLU H H 35 8.424 8.424 7.597 0.827 19215 170 1 1 . 1 1 36 36 LEU N N 36 122.904 122.904 117.802 5.102 19215 171 1 1 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.311 0.008 19215 172 1 1 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.515 -1.617 19215 173 1 1 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.843 -0.347 19215 174 1 1 . 1 1 36 36 LEU H H 36 8.342 8.342 7.456 0.886 19215 175 1 1 . 1 1 38 38 GLU N N 38 121.931 121.931 119.080 2.851 19215 176 1 1 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.063 0.333 19215 177 1 1 . 1 1 38 38 GLU C C 38 177.318 177.318 178.349 -1.031 19215 178 1 1 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.450 -3.084 19215 179 1 1 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.199 0.129 19215 180 1 1 . 1 1 38 38 GLU H H 38 8.342 8.342 7.870 0.472 19215 181 1 1 . 1 1 39 39 LEU N N 39 123.317 123.317 118.607 4.710 19215 182 1 1 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.330 2.018 19215 183 1 1 . 1 1 39 39 LEU CA C 39 56.833 56.833 56.877 -0.044 19215 184 1 1 . 1 1 39 39 LEU CB C 39 41.387 41.387 40.985 0.402 19215 185 1 1 . 1 1 39 39 LEU H H 39 8.342 8.342 7.464 0.878 19215 186 1 1 . 1 1 40 40 ASP N N 40 119.726 119.726 118.440 1.286 19215 187 1 1 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.265 0.306 19215 188 1 1 . 1 1 40 40 ASP CA C 40 55.589 55.589 56.746 -1.157 19215 189 1 1 . 1 1 40 40 ASP H H 40 8.530 8.530 7.347 1.183 19215 190 1 1 . 1 1 41 41 LYS N N 41 121.200 121.200 118.388 2.812 19215 191 1 1 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.149 0.015 19215 192 1 1 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.608 -0.388 19215 193 1 1 . 1 1 41 41 LYS H H 41 8.145 8.145 7.312 0.833 19215 194 1 1 . 1 1 42 42 TRP N N 42 120.615 120.615 119.037 1.578 19215 195 1 1 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.455 0.142 19215 196 1 1 . 1 1 42 42 TRP C C 42 177.641 177.641 178.544 -0.903 19215 197 1 1 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.803 -0.242 19215 198 1 1 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.751 1.088 19215 199 1 1 . 1 1 42 42 TRP H H 42 8.025 8.025 8.010 0.015 19215 200 1 1 . 1 1 43 43 ALA N N 43 122.056 122.056 121.127 0.929 19215 201 1 1 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.186 -0.046 19215 202 1 1 . 1 1 43 43 ALA C C 43 172.776 172.776 179.510 -6.734 19215 203 1 1 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.485 -0.621 19215 204 1 1 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.978 -0.004 19215 205 1 1 . 1 1 43 43 ALA H H 43 8.199 8.199 7.904 0.295 19215 206 1 1 . 1 1 44 44 SER N N 44 113.378 113.378 115.905 -2.527 19215 207 1 1 . 1 1 44 44 SER HA H 44 4.376 4.376 4.187 0.189 19215 208 1 1 . 1 1 44 44 SER C C 44 176.767 176.767 176.802 -0.035 19215 209 1 1 . 1 1 44 44 SER CA C 44 60.980 60.980 62.430 -1.450 19215 210 1 1 . 1 1 44 44 SER CB C 44 62.410 62.410 62.859 -0.449 19215 211 1 1 . 1 1 44 44 SER H H 44 8.210 8.210 7.765 0.445 19215 212 1 1 . 1 1 45 45 LEU N N 45 123.425 123.425 118.746 4.679 19215 213 1 1 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.106 0.088 19215 214 1 1 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.597 0.009 19215 215 1 1 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.588 -0.418 19215 216 1 1 . 1 1 45 45 LEU H H 45 7.906 7.906 7.389 0.517 19215 217 1 1 . 1 1 46 46 TRP N N 46 118.572 118.572 121.538 -2.966 19215 218 1 1 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.624 0.031 19215 219 1 1 . 1 1 46 46 TRP C C 46 177.838 177.838 178.878 -1.040 19215 220 1 1 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.683 -2.776 19215 221 1 1 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.756 -0.537 19215 222 1 1 . 1 1 46 46 TRP H H 46 8.043 8.043 8.438 -0.395 19215 223 1 1 . 1 1 47 47 ASN N N 47 116.564 116.564 118.562 -1.998 19215 224 1 1 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.528 0.098 19215 225 1 1 . 1 1 47 47 ASN C C 47 176.904 176.904 177.775 -0.871 19215 226 1 1 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.766 -0.721 19215 227 1 1 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.115 0.448 19215 228 1 1 . 1 1 47 47 ASN H H 47 8.174 8.174 8.961 -0.787 19215 229 1 1 . 1 1 48 48 TRP N N 48 121.421 121.421 121.851 -0.430 19215 230 1 1 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.426 -0.059 19215 231 1 1 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.757 0.760 19215 232 1 1 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.961 0.932 19215 233 1 1 . 1 1 48 48 TRP H H 48 8.145 8.145 7.926 0.219 19215 234 1 1 . 1 1 49 49 PHE N N 49 118.299 118.299 119.164 -0.865 19215 235 1 1 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.263 -0.011 19215 236 1 1 . 1 1 49 49 PHE C C 49 175.565 175.565 176.079 -0.514 19215 237 1 1 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.689 0.198 19215 238 1 1 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.290 0.381 19215 239 1 1 . 1 1 49 49 PHE H H 49 8.036 8.036 7.464 0.572 19215 240 1 1 . 1 1 50 50 ASN N N 50 118.836 118.836 119.235 -0.399 19215 241 1 1 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.117 0.509 19215 242 1 1 . 1 1 50 50 ASN C C 50 176.439 176.439 176.828 -0.389 19215 243 1 1 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.621 -2.406 19215 244 1 1 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.745 -0.617 19215 245 1 1 . 1 1 50 50 ASN H H 50 7.795 7.795 7.762 0.033 19215 246 1 1 . 1 1 51 51 ILE N N 51 120.218 120.218 116.884 3.334 19215 247 1 1 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.159 -0.368 19215 248 1 1 . 1 1 51 51 ILE C C 51 177.202 177.202 176.767 0.435 19215 249 1 1 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.052 -0.950 19215 250 1 1 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.525 -0.158 19215 251 1 1 . 1 1 51 51 ILE H H 51 8.147 8.147 7.604 0.543 19215 252 1 1 . 1 1 52 52 THR N N 52 115.352 115.352 111.609 3.743 19215 253 1 1 . 1 1 52 52 THR HA H 52 4.031 4.031 4.034 -0.003 19215 254 1 1 . 1 1 52 52 THR C C 52 176.095 176.095 176.629 -0.534 19215 255 1 1 . 1 1 52 52 THR CA C 52 65.148 65.148 65.306 -0.158 19215 256 1 1 . 1 1 52 52 THR CB C 52 68.277 68.277 68.983 -0.706 19215 257 1 1 . 1 1 52 52 THR H H 52 8.009 8.009 7.557 0.452 19215 258 1 1 . 1 1 53 53 ASN N N 53 119.874 119.874 120.973 -1.099 19215 259 1 1 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.636 -0.000 19215 260 1 1 . 1 1 53 53 ASN C C 53 176.530 176.530 177.606 -1.076 19215 261 1 1 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.401 -1.944 19215 262 1 1 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.439 -0.637 19215 263 1 1 . 1 1 53 53 ASN H H 53 7.972 7.972 8.074 -0.102 19215 264 1 1 . 1 1 54 54 TRP N N 54 120.192 120.192 118.245 1.947 19215 265 1 1 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.705 -0.050 19215 266 1 1 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.754 0.889 19215 267 1 1 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.161 1.004 19215 268 1 1 . 1 1 54 54 TRP H H 54 7.897 7.897 7.540 0.357 19215 269 1 1 . 1 1 55 55 LEU N N 55 118.354 118.354 122.206 -3.852 19215 270 1 1 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.885 0.203 19215 271 1 1 . 1 1 55 55 LEU C C 55 177.975 177.975 178.413 -0.438 19215 272 1 1 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.675 -2.205 19215 273 1 1 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.233 -0.335 19215 274 1 1 . 1 1 55 55 LEU H H 55 7.931 7.931 7.702 0.229 19215 275 1 1 . 1 1 56 56 TRP N N 56 118.335 118.335 118.276 0.059 19215 276 1 1 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.289 0.078 19215 277 1 1 . 1 1 56 56 TRP C C 56 176.863 176.863 178.210 -1.347 19215 278 1 1 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.418 -1.348 19215 279 1 1 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.113 -0.274 19215 280 1 1 . 1 1 56 56 TRP H H 56 7.665 7.665 7.360 0.305 19215 281 1 1 . 1 1 57 57 TYR N N 57 116.808 116.808 119.595 -2.787 19215 282 1 1 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.316 -0.144 19215 283 1 1 . 1 1 57 57 TYR C C 57 176.085 176.085 177.630 -1.545 19215 284 1 1 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.228 -1.363 19215 285 1 1 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.026 -0.463 19215 286 1 1 . 1 1 57 57 TYR H H 57 7.578 7.578 7.671 -0.093 19215 287 1 1 . 1 1 58 58 ILE N N 58 115.526 115.526 116.781 -1.255 19215 288 1 1 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.877 0.388 19215 289 1 1 . 1 1 58 58 ILE C C 58 174.782 174.782 176.626 -1.844 19215 290 1 1 . 1 1 58 58 ILE CA C 58 60.940 60.940 63.408 -2.468 19215 291 1 1 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.663 -0.481 19215 292 1 1 . 1 1 58 58 ILE H H 58 7.586 7.586 8.489 -0.903 19215 293 1 2 . 1 1 2 2 TYR N N 2 120.470 120.470 120.327 0.143 19215 294 1 2 . 1 1 2 2 TYR C C 2 176.535 176.535 176.162 0.373 19215 295 1 2 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.491 -1.496 19215 296 1 2 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.386 -2.072 19215 297 1 2 . 1 1 2 2 TYR H H 2 7.951 7.951 8.010 -0.059 19215 298 1 2 . 1 1 3 3 ILE N N 3 118.307 118.307 116.409 1.898 19215 299 1 2 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.766 -2.798 19215 300 1 2 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.910 1.164 19215 301 1 2 . 1 1 3 3 ILE H H 3 8.381 8.381 8.156 0.225 19215 302 1 2 . 1 1 5 5 GLU N N 5 118.785 118.785 121.120 -2.335 19215 303 1 2 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.333 -0.078 19215 304 1 2 . 1 1 5 5 GLU C C 5 176.267 176.267 175.941 0.326 19215 305 1 2 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.301 -0.342 19215 306 1 2 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.129 -0.095 19215 307 1 2 . 1 1 5 5 GLU H H 5 7.710 7.710 8.348 -0.638 19215 308 1 2 . 1 1 6 6 ALA N N 6 131.546 131.546 123.290 8.256 19215 309 1 2 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.137 -0.562 19215 310 1 2 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.837 -0.878 19215 311 1 2 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.136 -2.747 19215 312 1 2 . 1 1 6 6 ALA H H 6 8.338 8.338 7.798 0.540 19215 313 1 2 . 1 1 8 8 ARG N N 8 126.915 126.915 124.588 2.327 19215 314 1 2 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.663 -0.593 19215 315 1 2 . 1 1 8 8 ARG C C 8 175.110 175.110 175.298 -0.188 19215 316 1 2 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.383 -0.684 19215 317 1 2 . 1 1 8 8 ARG CB C 8 28.078 28.078 29.950 -1.872 19215 318 1 2 . 1 1 8 8 ARG H H 8 8.725 8.725 8.263 0.462 19215 319 1 2 . 1 1 9 9 ASP N N 9 123.653 123.653 123.219 0.434 19215 320 1 2 . 1 1 9 9 ASP C C 9 178.015 178.015 177.254 0.761 19215 321 1 2 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.526 -1.779 19215 322 1 2 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.431 -0.587 19215 323 1 2 . 1 1 9 9 ASP H H 9 8.432 8.432 8.632 -0.200 19215 324 1 2 . 1 1 10 10 GLY N N 10 111.908 111.908 108.141 3.767 19215 325 1 2 . 1 1 10 10 GLY C C 10 174.822 174.822 174.683 0.139 19215 326 1 2 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.297 -0.053 19215 327 1 2 . 1 1 10 10 GLY H H 10 9.727 9.727 8.573 1.154 19215 328 1 2 . 1 1 11 11 GLN N N 11 118.395 118.395 119.665 -1.270 19215 329 1 2 . 1 1 11 11 GLN C C 11 174.711 174.711 174.374 0.337 19215 330 1 2 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.727 -1.329 19215 331 1 2 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.672 -0.366 19215 332 1 2 . 1 1 11 11 GLN H H 11 8.416 8.416 8.099 0.317 19215 333 1 2 . 1 1 12 12 ALA N N 12 121.020 121.020 123.432 -2.412 19215 334 1 2 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.590 0.353 19215 335 1 2 . 1 1 12 12 ALA C C 12 177.990 177.990 175.372 2.618 19215 336 1 2 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.021 -0.510 19215 337 1 2 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.237 -0.090 19215 338 1 2 . 1 1 12 12 ALA H H 12 7.933 7.933 8.555 -0.622 19215 339 1 2 . 1 1 13 13 TYR N N 13 121.755 121.755 117.252 4.503 19215 340 1 2 . 1 1 13 13 TYR C C 13 175.519 175.519 173.576 1.943 19215 341 1 2 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.638 3.453 19215 342 1 2 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.328 2.852 19215 343 1 2 . 1 1 13 13 TYR H H 13 9.575 9.575 7.642 1.933 19215 344 1 2 . 1 1 14 14 VAL N N 14 112.251 112.251 120.098 -7.847 19215 345 1 2 . 1 1 14 14 VAL C C 14 174.074 174.074 174.858 -0.784 19215 346 1 2 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.109 -0.019 19215 347 1 2 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.559 -2.809 19215 348 1 2 . 1 1 14 14 VAL H H 14 9.659 9.659 8.687 0.972 19215 349 1 2 . 1 1 15 15 ARG N N 15 124.657 124.657 122.170 2.487 19215 350 1 2 . 1 1 15 15 ARG C C 15 174.948 174.948 175.414 -0.466 19215 351 1 2 . 1 1 15 15 ARG CA C 15 53.520 53.520 54.248 -0.728 19215 352 1 2 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.611 2.922 19215 353 1 2 . 1 1 15 15 ARG H H 15 8.503 8.503 8.440 0.063 19215 354 1 2 . 1 1 16 16 LYS N N 16 128.240 128.240 125.530 2.710 19215 355 1 2 . 1 1 16 16 LYS C C 16 175.974 175.974 175.676 0.298 19215 356 1 2 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.689 0.087 19215 357 1 2 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.715 1.838 19215 358 1 2 . 1 1 16 16 LYS H H 16 9.052 9.052 8.059 0.993 19215 359 1 2 . 1 1 17 17 ASP N N 17 130.562 130.562 125.810 4.752 19215 360 1 2 . 1 1 17 17 ASP C C 17 175.822 175.822 176.281 -0.459 19215 361 1 2 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.696 1.751 19215 362 1 2 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.037 0.155 19215 363 1 2 . 1 1 17 17 ASP H H 17 10.886 10.886 8.940 1.946 19215 364 1 2 . 1 1 18 18 GLY N N 18 104.754 104.754 104.622 0.132 19215 365 1 2 . 1 1 18 18 GLY C C 18 173.104 173.104 173.194 -0.090 19215 366 1 2 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.151 0.093 19215 367 1 2 . 1 1 18 18 GLY H H 18 9.353 9.353 8.314 1.039 19215 368 1 2 . 1 1 19 19 GLU N N 19 117.501 117.501 118.376 -0.875 19215 369 1 2 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.874 0.774 19215 370 1 2 . 1 1 19 19 GLU C C 19 176.166 176.166 175.345 0.821 19215 371 1 2 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.983 -0.118 19215 372 1 2 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.997 0.133 19215 373 1 2 . 1 1 19 19 GLU H H 19 7.813 7.813 7.782 0.031 19215 374 1 2 . 1 1 20 20 TRP N N 20 122.768 122.768 123.074 -0.306 19215 375 1 2 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.139 -0.472 19215 376 1 2 . 1 1 20 20 TRP C C 20 176.302 176.302 176.534 -0.232 19215 377 1 2 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.333 -0.455 19215 378 1 2 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.533 0.012 19215 379 1 2 . 1 1 20 20 TRP H H 20 9.094 9.094 7.672 1.422 19215 380 1 2 . 1 1 21 21 VAL N N 21 123.071 123.071 123.239 -0.168 19215 381 1 2 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.412 0.574 19215 382 1 2 . 1 1 21 21 VAL C C 21 175.640 175.640 175.424 0.216 19215 383 1 2 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.295 -0.758 19215 384 1 2 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.665 -0.014 19215 385 1 2 . 1 1 21 21 VAL H H 21 9.868 9.868 8.421 1.447 19215 386 1 2 . 1 1 22 22 LEU N N 22 127.193 127.193 127.814 -0.621 19215 387 1 2 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.521 -0.099 19215 388 1 2 . 1 1 22 22 LEU C C 22 179.268 179.268 178.666 0.602 19215 389 1 2 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.911 -0.277 19215 390 1 2 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.693 -0.414 19215 391 1 2 . 1 1 22 22 LEU H H 22 8.812 8.812 8.794 0.018 19215 392 1 2 . 1 1 23 23 LEU N N 23 126.386 126.386 127.858 -1.472 19215 393 1 2 . 1 1 23 23 LEU C C 23 178.844 178.844 178.751 0.093 19215 394 1 2 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.479 -1.076 19215 395 1 2 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.975 -0.914 19215 396 1 2 . 1 1 23 23 LEU H H 23 8.562 8.562 8.268 0.294 19215 397 1 2 . 1 1 24 24 SER N N 24 113.100 113.100 113.440 -0.340 19215 398 1 2 . 1 1 24 24 SER HA H 24 4.621 4.621 4.007 0.614 19215 399 1 2 . 1 1 24 24 SER C C 24 176.676 176.676 176.497 0.179 19215 400 1 2 . 1 1 24 24 SER CA C 24 60.960 60.960 61.438 -0.478 19215 401 1 2 . 1 1 24 24 SER CB C 24 61.650 61.650 62.409 -0.759 19215 402 1 2 . 1 1 24 24 SER H H 24 9.098 9.098 8.515 0.583 19215 403 1 2 . 1 1 25 25 THR N N 25 116.715 116.715 117.360 -0.645 19215 404 1 2 . 1 1 25 25 THR HA H 25 3.915 3.915 4.157 -0.242 19215 405 1 2 . 1 1 25 25 THR CA C 25 64.599 64.599 65.870 -1.271 19215 406 1 2 . 1 1 25 25 THR CB C 25 68.657 68.657 68.915 -0.258 19215 407 1 2 . 1 1 25 25 THR H H 25 7.238 7.238 7.549 -0.311 19215 408 1 2 . 1 1 26 26 PHE N N 26 118.488 118.488 121.584 -3.096 19215 409 1 2 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.404 -0.294 19215 410 1 2 . 1 1 26 26 PHE C C 26 176.181 176.181 176.540 -0.359 19215 411 1 2 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.338 -1.711 19215 412 1 2 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.457 0.336 19215 413 1 2 . 1 1 26 26 PHE H H 26 7.945 7.945 8.295 -0.350 19215 414 1 2 . 1 1 27 27 LEU N N 27 118.525 118.525 119.318 -0.793 19215 415 1 2 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.204 0.319 19215 416 1 2 . 1 1 27 27 LEU C C 27 177.752 177.752 177.568 0.184 19215 417 1 2 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.444 -0.765 19215 418 1 2 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.112 -0.779 19215 419 1 2 . 1 1 27 27 LEU H H 27 7.290 7.290 8.024 -0.734 19215 420 1 2 . 1 1 28 28 GLY N N 28 108.823 108.823 105.690 3.133 19215 421 1 2 . 1 1 28 28 GLY C C 28 174.630 174.630 174.420 0.210 19215 422 1 2 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.074 0.300 19215 423 1 2 . 1 1 28 28 GLY H H 28 8.242 8.242 7.672 0.570 19215 424 1 2 . 1 1 29 29 SER N N 29 116.210 116.210 116.552 -0.342 19215 425 1 2 . 1 1 29 29 SER HA H 29 4.626 4.626 4.434 0.192 19215 426 1 2 . 1 1 29 29 SER C C 29 175.312 175.312 175.174 0.138 19215 427 1 2 . 1 1 29 29 SER CA C 29 57.992 57.992 57.911 0.081 19215 428 1 2 . 1 1 29 29 SER CB C 29 63.605 63.605 64.667 -1.062 19215 429 1 2 . 1 1 29 29 SER H H 29 8.310 8.310 7.712 0.598 19215 430 1 2 . 1 1 30 30 SER N N 30 118.892 118.892 114.290 4.602 19215 431 1 2 . 1 1 30 30 SER HA H 30 4.597 4.597 4.280 0.317 19215 432 1 2 . 1 1 30 30 SER C C 30 175.479 175.479 173.918 1.561 19215 433 1 2 . 1 1 30 30 SER CA C 30 58.582 58.582 59.861 -1.279 19215 434 1 2 . 1 1 30 30 SER CB C 30 63.605 63.605 62.757 0.848 19215 435 1 2 . 1 1 30 30 SER H H 30 8.593 8.593 8.793 -0.200 19215 436 1 2 . 1 1 31 31 GLY N N 31 111.354 111.354 107.188 4.166 19215 437 1 2 . 1 1 31 31 GLY C C 31 174.428 174.428 173.009 1.419 19215 438 1 2 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.599 -0.143 19215 439 1 2 . 1 1 31 31 GLY H H 31 8.584 8.584 7.868 0.716 19215 440 1 2 . 1 1 32 32 ASN N N 32 119.486 119.486 116.094 3.392 19215 441 1 2 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.943 -0.126 19215 442 1 2 . 1 1 32 32 ASN C C 32 175.928 175.928 175.910 0.018 19215 443 1 2 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.127 0.088 19215 444 1 2 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.864 -1.084 19215 445 1 2 . 1 1 32 32 ASN H H 32 8.393 8.393 8.065 0.328 19215 446 1 2 . 1 1 33 33 GLU N N 33 122.031 122.031 120.587 1.444 19215 447 1 2 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.956 0.315 19215 448 1 2 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.917 -1.491 19215 449 1 2 . 1 1 33 33 GLU CB C 33 29.328 29.328 28.854 0.474 19215 450 1 2 . 1 1 33 33 GLU H H 33 8.711 8.711 8.649 0.062 19215 451 1 2 . 1 1 34 34 GLN N N 34 120.866 120.866 119.972 0.894 19215 452 1 2 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.023 0.248 19215 453 1 2 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.265 -3.039 19215 454 1 2 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.367 0.472 19215 455 1 2 . 1 1 34 34 GLN H H 34 8.438 8.438 8.200 0.238 19215 456 1 2 . 1 1 35 35 GLU N N 35 122.323 122.323 119.810 2.513 19215 457 1 2 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.017 0.302 19215 458 1 2 . 1 1 35 35 GLU C C 35 177.176 177.176 179.045 -1.869 19215 459 1 2 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.424 -2.428 19215 460 1 2 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.298 0.247 19215 461 1 2 . 1 1 35 35 GLU H H 35 8.424 8.424 7.731 0.693 19215 462 1 2 . 1 1 36 36 LEU N N 36 122.904 122.904 117.518 5.386 19215 463 1 2 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.222 0.097 19215 464 1 2 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.401 -1.503 19215 465 1 2 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.578 -0.082 19215 466 1 2 . 1 1 36 36 LEU H H 36 8.342 8.342 7.319 1.023 19215 467 1 2 . 1 1 38 38 GLU N N 38 121.931 121.931 119.757 2.174 19215 468 1 2 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.061 0.335 19215 469 1 2 . 1 1 38 38 GLU C C 38 177.318 177.318 178.593 -1.275 19215 470 1 2 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.554 -3.188 19215 471 1 2 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.611 -0.283 19215 472 1 2 . 1 1 38 38 GLU H H 38 8.342 8.342 8.559 -0.217 19215 473 1 2 . 1 1 39 39 LEU N N 39 123.317 123.317 119.253 4.064 19215 474 1 2 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.806 1.542 19215 475 1 2 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.873 -1.040 19215 476 1 2 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.699 -0.312 19215 477 1 2 . 1 1 39 39 LEU H H 39 8.342 8.342 7.165 1.177 19215 478 1 2 . 1 1 40 40 ASP N N 40 119.726 119.726 117.545 2.181 19215 479 1 2 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.254 0.317 19215 480 1 2 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.458 -1.869 19215 481 1 2 . 1 1 40 40 ASP H H 40 8.530 8.530 8.272 0.258 19215 482 1 2 . 1 1 41 41 LYS N N 41 121.200 121.200 119.892 1.308 19215 483 1 2 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.154 0.010 19215 484 1 2 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.021 -0.801 19215 485 1 2 . 1 1 41 41 LYS H H 41 8.145 8.145 7.272 0.873 19215 486 1 2 . 1 1 42 42 TRP N N 42 120.615 120.615 118.954 1.661 19215 487 1 2 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.417 0.180 19215 488 1 2 . 1 1 42 42 TRP C C 42 177.641 177.641 178.369 -0.728 19215 489 1 2 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.042 -0.481 19215 490 1 2 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.092 0.747 19215 491 1 2 . 1 1 42 42 TRP H H 42 8.025 8.025 8.146 -0.121 19215 492 1 2 . 1 1 43 43 ALA N N 43 122.056 122.056 120.970 1.086 19215 493 1 2 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.182 -0.042 19215 494 1 2 . 1 1 43 43 ALA C C 43 172.776 172.776 179.489 -6.713 19215 495 1 2 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.315 -0.451 19215 496 1 2 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.054 -0.080 19215 497 1 2 . 1 1 43 43 ALA H H 43 8.199 8.199 7.814 0.385 19215 498 1 2 . 1 1 44 44 SER N N 44 113.378 113.378 115.892 -2.514 19215 499 1 2 . 1 1 44 44 SER HA H 44 4.376 4.376 4.252 0.124 19215 500 1 2 . 1 1 44 44 SER C C 44 176.767 176.767 176.913 -0.146 19215 501 1 2 . 1 1 44 44 SER CA C 44 60.980 60.980 61.815 -0.835 19215 502 1 2 . 1 1 44 44 SER CB C 44 62.410 62.410 62.541 -0.131 19215 503 1 2 . 1 1 44 44 SER H H 44 8.210 8.210 7.622 0.588 19215 504 1 2 . 1 1 45 45 LEU N N 45 123.425 123.425 118.375 5.050 19215 505 1 2 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.105 0.089 19215 506 1 2 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.446 0.160 19215 507 1 2 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.206 -0.037 19215 508 1 2 . 1 1 45 45 LEU H H 45 7.906 7.906 7.371 0.535 19215 509 1 2 . 1 1 46 46 TRP N N 46 118.572 118.572 121.190 -2.618 19215 510 1 2 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.599 0.056 19215 511 1 2 . 1 1 46 46 TRP C C 46 177.838 177.838 178.959 -1.121 19215 512 1 2 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.209 -1.302 19215 513 1 2 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.973 -0.754 19215 514 1 2 . 1 1 46 46 TRP H H 46 8.043 8.043 8.109 -0.066 19215 515 1 2 . 1 1 47 47 ASN N N 47 116.564 116.564 118.270 -1.706 19215 516 1 2 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.741 -0.115 19215 517 1 2 . 1 1 47 47 ASN C C 47 176.904 176.904 177.404 -0.500 19215 518 1 2 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.993 -0.948 19215 519 1 2 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.847 0.716 19215 520 1 2 . 1 1 47 47 ASN H H 47 8.174 8.174 9.037 -0.863 19215 521 1 2 . 1 1 48 48 TRP N N 48 121.421 121.421 121.248 0.173 19215 522 1 2 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.397 -0.030 19215 523 1 2 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.230 1.287 19215 524 1 2 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.567 1.326 19215 525 1 2 . 1 1 48 48 TRP H H 48 8.145 8.145 7.527 0.618 19215 526 1 2 . 1 1 49 49 PHE N N 49 118.299 118.299 119.115 -0.816 19215 527 1 2 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.137 0.115 19215 528 1 2 . 1 1 49 49 PHE C C 49 175.565 175.565 176.055 -0.490 19215 529 1 2 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.225 -0.338 19215 530 1 2 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.259 1.412 19215 531 1 2 . 1 1 49 49 PHE H H 49 8.036 8.036 7.715 0.321 19215 532 1 2 . 1 1 50 50 ASN N N 50 118.836 118.836 119.767 -0.931 19215 533 1 2 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.175 0.451 19215 534 1 2 . 1 1 50 50 ASN C C 50 176.439 176.439 177.103 -0.664 19215 535 1 2 . 1 1 50 50 ASN CA C 50 53.215 53.215 56.603 -3.389 19215 536 1 2 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.330 -0.202 19215 537 1 2 . 1 1 50 50 ASN H H 50 7.795 7.795 8.003 -0.208 19215 538 1 2 . 1 1 51 51 ILE N N 51 120.218 120.218 117.599 2.619 19215 539 1 2 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.710 0.081 19215 540 1 2 . 1 1 51 51 ILE C C 51 177.202 177.202 177.046 0.156 19215 541 1 2 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.197 -2.095 19215 542 1 2 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.692 -0.325 19215 543 1 2 . 1 1 51 51 ILE H H 51 8.147 8.147 7.109 1.038 19215 544 1 2 . 1 1 52 52 THR N N 52 115.352 115.352 114.987 0.365 19215 545 1 2 . 1 1 52 52 THR HA H 52 4.031 4.031 3.870 0.161 19215 546 1 2 . 1 1 52 52 THR C C 52 176.095 176.095 176.131 -0.036 19215 547 1 2 . 1 1 52 52 THR CA C 52 65.148 65.148 66.314 -1.165 19215 548 1 2 . 1 1 52 52 THR CB C 52 68.277 68.277 68.820 -0.543 19215 549 1 2 . 1 1 52 52 THR H H 52 8.009 8.009 8.041 -0.032 19215 550 1 2 . 1 1 53 53 ASN N N 53 119.874 119.874 118.408 1.466 19215 551 1 2 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.391 0.245 19215 552 1 2 . 1 1 53 53 ASN C C 53 176.530 176.530 177.722 -1.192 19215 553 1 2 . 1 1 53 53 ASN CA C 53 54.457 54.457 54.961 -0.504 19215 554 1 2 . 1 1 53 53 ASN CB C 53 37.802 37.802 36.905 0.897 19215 555 1 2 . 1 1 53 53 ASN H H 53 7.972 7.972 7.996 -0.024 19215 556 1 2 . 1 1 54 54 TRP N N 54 120.192 120.192 120.597 -0.405 19215 557 1 2 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.689 -0.034 19215 558 1 2 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.588 1.055 19215 559 1 2 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.177 -0.011 19215 560 1 2 . 1 1 54 54 TRP H H 54 7.897 7.897 6.786 1.111 19215 561 1 2 . 1 1 55 55 LEU N N 55 118.354 118.354 121.021 -2.667 19215 562 1 2 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.898 0.190 19215 563 1 2 . 1 1 55 55 LEU C C 55 177.975 177.975 178.594 -0.619 19215 564 1 2 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.167 -1.697 19215 565 1 2 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.642 -0.744 19215 566 1 2 . 1 1 55 55 LEU H H 55 7.931 7.931 7.801 0.130 19215 567 1 2 . 1 1 56 56 TRP N N 56 118.335 118.335 116.566 1.769 19215 568 1 2 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.457 -0.090 19215 569 1 2 . 1 1 56 56 TRP C C 56 176.863 176.863 177.897 -1.034 19215 570 1 2 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.465 -1.395 19215 571 1 2 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.968 -0.129 19215 572 1 2 . 1 1 56 56 TRP H H 56 7.665 7.665 7.749 -0.084 19215 573 1 2 . 1 1 57 57 TYR N N 57 116.808 116.808 118.343 -1.535 19215 574 1 2 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.227 -0.055 19215 575 1 2 . 1 1 57 57 TYR C C 57 176.085 176.085 177.682 -1.597 19215 576 1 2 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.592 -0.727 19215 577 1 2 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.195 -0.632 19215 578 1 2 . 1 1 57 57 TYR H H 57 7.578 7.578 7.670 -0.092 19215 579 1 2 . 1 1 58 58 ILE N N 58 115.526 115.526 117.834 -2.308 19215 580 1 2 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.015 0.250 19215 581 1 2 . 1 1 58 58 ILE C C 58 174.782 174.782 175.852 -1.070 19215 582 1 2 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.835 -1.895 19215 583 1 2 . 1 1 58 58 ILE CB C 58 38.182 38.182 39.054 -0.872 19215 584 1 2 . 1 1 58 58 ILE H H 58 7.586 7.586 8.416 -0.830 19215 585 1 3 . 1 1 2 2 TYR N N 2 120.470 120.470 120.492 -0.022 19215 586 1 3 . 1 1 2 2 TYR C C 2 176.535 176.535 176.118 0.417 19215 587 1 3 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.324 -1.329 19215 588 1 3 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.329 -2.016 19215 589 1 3 . 1 1 2 2 TYR H H 2 7.951 7.951 7.846 0.105 19215 590 1 3 . 1 1 3 3 ILE N N 3 118.307 118.307 115.805 2.502 19215 591 1 3 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.834 -2.866 19215 592 1 3 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.664 1.410 19215 593 1 3 . 1 1 3 3 ILE H H 3 8.381 8.381 8.186 0.195 19215 594 1 3 . 1 1 5 5 GLU N N 5 118.785 118.785 121.244 -2.459 19215 595 1 3 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.360 -0.105 19215 596 1 3 . 1 1 5 5 GLU C C 5 176.267 176.267 176.017 0.250 19215 597 1 3 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.316 -0.357 19215 598 1 3 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.055 -0.021 19215 599 1 3 . 1 1 5 5 GLU H H 5 7.710 7.710 8.507 -0.797 19215 600 1 3 . 1 1 6 6 ALA N N 6 131.546 131.546 122.621 8.925 19215 601 1 3 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.099 -0.524 19215 602 1 3 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.870 -0.911 19215 603 1 3 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.317 -2.928 19215 604 1 3 . 1 1 6 6 ALA H H 6 8.338 8.338 7.955 0.383 19215 605 1 3 . 1 1 8 8 ARG N N 8 126.915 126.915 125.943 0.972 19215 606 1 3 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.608 -0.538 19215 607 1 3 . 1 1 8 8 ARG C C 8 175.110 175.110 175.327 -0.217 19215 608 1 3 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.449 -0.750 19215 609 1 3 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.736 -2.658 19215 610 1 3 . 1 1 8 8 ARG H H 8 8.725 8.725 8.533 0.192 19215 611 1 3 . 1 1 9 9 ASP N N 9 123.653 123.653 123.131 0.522 19215 612 1 3 . 1 1 9 9 ASP C C 9 178.015 178.015 177.034 0.981 19215 613 1 3 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.390 -1.643 19215 614 1 3 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.142 -0.298 19215 615 1 3 . 1 1 9 9 ASP H H 9 8.432 8.432 8.778 -0.346 19215 616 1 3 . 1 1 10 10 GLY N N 10 111.908 111.908 108.965 2.943 19215 617 1 3 . 1 1 10 10 GLY C C 10 174.822 174.822 174.645 0.177 19215 618 1 3 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.180 0.064 19215 619 1 3 . 1 1 10 10 GLY H H 10 9.727 9.727 8.554 1.173 19215 620 1 3 . 1 1 11 11 GLN N N 11 118.395 118.395 117.886 0.509 19215 621 1 3 . 1 1 11 11 GLN C C 11 174.711 174.711 174.273 0.438 19215 622 1 3 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.179 -1.781 19215 623 1 3 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.741 0.565 19215 624 1 3 . 1 1 11 11 GLN H H 11 8.416 8.416 8.061 0.355 19215 625 1 3 . 1 1 12 12 ALA N N 12 121.020 121.020 124.028 -3.008 19215 626 1 3 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.591 0.352 19215 627 1 3 . 1 1 12 12 ALA C C 12 177.990 177.990 175.789 2.201 19215 628 1 3 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.366 -0.855 19215 629 1 3 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.795 -0.648 19215 630 1 3 . 1 1 12 12 ALA H H 12 7.933 7.933 8.545 -0.612 19215 631 1 3 . 1 1 13 13 TYR N N 13 121.755 121.755 116.845 4.910 19215 632 1 3 . 1 1 13 13 TYR C C 13 175.519 175.519 173.565 1.954 19215 633 1 3 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.873 3.217 19215 634 1 3 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.266 2.914 19215 635 1 3 . 1 1 13 13 TYR H H 13 9.575 9.575 7.727 1.848 19215 636 1 3 . 1 1 14 14 VAL N N 14 112.251 112.251 119.754 -7.503 19215 637 1 3 . 1 1 14 14 VAL C C 14 174.074 174.074 174.854 -0.780 19215 638 1 3 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.036 0.054 19215 639 1 3 . 1 1 14 14 VAL CB C 14 32.750 32.750 34.937 -2.187 19215 640 1 3 . 1 1 14 14 VAL H H 14 9.659 9.659 8.861 0.798 19215 641 1 3 . 1 1 15 15 ARG N N 15 124.657 124.657 122.461 2.196 19215 642 1 3 . 1 1 15 15 ARG C C 15 174.948 174.948 175.301 -0.353 19215 643 1 3 . 1 1 15 15 ARG CA C 15 53.520 53.520 54.520 -1.000 19215 644 1 3 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.619 2.914 19215 645 1 3 . 1 1 15 15 ARG H H 15 8.503 8.503 8.396 0.107 19215 646 1 3 . 1 1 16 16 LYS N N 16 128.240 128.240 125.783 2.457 19215 647 1 3 . 1 1 16 16 LYS C C 16 175.974 175.974 175.727 0.247 19215 648 1 3 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.603 0.173 19215 649 1 3 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.334 1.219 19215 650 1 3 . 1 1 16 16 LYS H H 16 9.052 9.052 8.214 0.838 19215 651 1 3 . 1 1 17 17 ASP N N 17 130.562 130.562 124.742 5.820 19215 652 1 3 . 1 1 17 17 ASP C C 17 175.822 175.822 176.190 -0.368 19215 653 1 3 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.597 1.850 19215 654 1 3 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.145 1.047 19215 655 1 3 . 1 1 17 17 ASP H H 17 10.886 10.886 8.953 1.933 19215 656 1 3 . 1 1 18 18 GLY N N 18 104.754 104.754 105.271 -0.517 19215 657 1 3 . 1 1 18 18 GLY C C 18 173.104 173.104 173.089 0.015 19215 658 1 3 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.020 0.224 19215 659 1 3 . 1 1 18 18 GLY H H 18 9.353 9.353 8.300 1.053 19215 660 1 3 . 1 1 19 19 GLU N N 19 117.501 117.501 118.667 -1.166 19215 661 1 3 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.982 0.666 19215 662 1 3 . 1 1 19 19 GLU C C 19 176.166 176.166 175.256 0.910 19215 663 1 3 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.102 -0.236 19215 664 1 3 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.063 0.067 19215 665 1 3 . 1 1 19 19 GLU H H 19 7.813 7.813 8.177 -0.364 19215 666 1 3 . 1 1 20 20 TRP N N 20 122.768 122.768 122.303 0.465 19215 667 1 3 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.128 -0.461 19215 668 1 3 . 1 1 20 20 TRP C C 20 176.302 176.302 176.704 -0.402 19215 669 1 3 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.237 -0.359 19215 670 1 3 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.657 -0.112 19215 671 1 3 . 1 1 20 20 TRP H H 20 9.094 9.094 7.921 1.173 19215 672 1 3 . 1 1 21 21 VAL N N 21 123.071 123.071 119.895 3.176 19215 673 1 3 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.642 0.343 19215 674 1 3 . 1 1 21 21 VAL C C 21 175.640 175.640 175.634 0.006 19215 675 1 3 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.913 -0.376 19215 676 1 3 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.653 -0.002 19215 677 1 3 . 1 1 21 21 VAL H H 21 9.868 9.868 8.433 1.435 19215 678 1 3 . 1 1 22 22 LEU N N 22 127.193 127.193 127.229 -0.036 19215 679 1 3 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.555 -0.133 19215 680 1 3 . 1 1 22 22 LEU C C 22 179.268 179.268 178.345 0.923 19215 681 1 3 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.886 -0.252 19215 682 1 3 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.888 -0.609 19215 683 1 3 . 1 1 22 22 LEU H H 22 8.812 8.812 8.831 -0.019 19215 684 1 3 . 1 1 23 23 LEU N N 23 126.386 126.386 128.906 -2.520 19215 685 1 3 . 1 1 23 23 LEU C C 23 178.844 178.844 178.699 0.145 19215 686 1 3 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.185 -0.782 19215 687 1 3 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.876 -0.815 19215 688 1 3 . 1 1 23 23 LEU H H 23 8.562 8.562 8.582 -0.020 19215 689 1 3 . 1 1 24 24 SER N N 24 113.100 113.100 113.692 -0.592 19215 690 1 3 . 1 1 24 24 SER HA H 24 4.621 4.621 4.063 0.558 19215 691 1 3 . 1 1 24 24 SER C C 24 176.676 176.676 176.520 0.156 19215 692 1 3 . 1 1 24 24 SER CA C 24 60.960 60.960 62.072 -1.112 19215 693 1 3 . 1 1 24 24 SER CB C 24 61.650 61.650 62.433 -0.783 19215 694 1 3 . 1 1 24 24 SER H H 24 9.098 9.098 8.480 0.618 19215 695 1 3 . 1 1 25 25 THR N N 25 116.715 116.715 116.046 0.669 19215 696 1 3 . 1 1 25 25 THR HA H 25 3.915 3.915 4.164 -0.249 19215 697 1 3 . 1 1 25 25 THR CA C 25 64.599 64.599 65.485 -0.886 19215 698 1 3 . 1 1 25 25 THR CB C 25 68.657 68.657 68.750 -0.093 19215 699 1 3 . 1 1 25 25 THR H H 25 7.238 7.238 7.530 -0.292 19215 700 1 3 . 1 1 26 26 PHE N N 26 118.488 118.488 121.928 -3.440 19215 701 1 3 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.341 -0.232 19215 702 1 3 . 1 1 26 26 PHE C C 26 176.181 176.181 176.848 -0.667 19215 703 1 3 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.960 -2.333 19215 704 1 3 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.447 0.346 19215 705 1 3 . 1 1 26 26 PHE H H 26 7.945 7.945 8.375 -0.430 19215 706 1 3 . 1 1 27 27 LEU N N 27 118.525 118.525 118.863 -0.338 19215 707 1 3 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.219 0.304 19215 708 1 3 . 1 1 27 27 LEU C C 27 177.752 177.752 177.774 -0.022 19215 709 1 3 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.745 -1.066 19215 710 1 3 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.258 -0.925 19215 711 1 3 . 1 1 27 27 LEU H H 27 7.290 7.290 7.813 -0.523 19215 712 1 3 . 1 1 28 28 GLY N N 28 108.823 108.823 105.134 3.689 19215 713 1 3 . 1 1 28 28 GLY C C 28 174.630 174.630 173.990 0.640 19215 714 1 3 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.727 0.647 19215 715 1 3 . 1 1 28 28 GLY H H 28 8.242 8.242 7.623 0.619 19215 716 1 3 . 1 1 29 29 SER N N 29 116.210 116.210 115.565 0.645 19215 717 1 3 . 1 1 29 29 SER HA H 29 4.626 4.626 4.491 0.135 19215 718 1 3 . 1 1 29 29 SER C C 29 175.312 175.312 174.809 0.503 19215 719 1 3 . 1 1 29 29 SER CA C 29 57.992 57.992 57.772 0.220 19215 720 1 3 . 1 1 29 29 SER CB C 29 63.605 63.605 63.590 0.015 19215 721 1 3 . 1 1 29 29 SER H H 29 8.310 8.310 7.757 0.553 19215 722 1 3 . 1 1 30 30 SER N N 30 118.892 118.892 115.424 3.468 19215 723 1 3 . 1 1 30 30 SER HA H 30 4.597 4.597 4.464 0.133 19215 724 1 3 . 1 1 30 30 SER C C 30 175.479 175.479 173.802 1.677 19215 725 1 3 . 1 1 30 30 SER CA C 30 58.582 58.582 59.391 -0.809 19215 726 1 3 . 1 1 30 30 SER CB C 30 63.605 63.605 61.962 1.643 19215 727 1 3 . 1 1 30 30 SER H H 30 8.593 8.593 8.668 -0.075 19215 728 1 3 . 1 1 31 31 GLY N N 31 111.354 111.354 108.313 3.041 19215 729 1 3 . 1 1 31 31 GLY C C 31 174.428 174.428 173.110 1.318 19215 730 1 3 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.818 -0.362 19215 731 1 3 . 1 1 31 31 GLY H H 31 8.584 8.584 7.858 0.726 19215 732 1 3 . 1 1 32 32 ASN N N 32 119.486 119.486 116.628 2.858 19215 733 1 3 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.758 0.059 19215 734 1 3 . 1 1 32 32 ASN C C 32 175.928 175.928 176.388 -0.460 19215 735 1 3 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.527 -0.312 19215 736 1 3 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.893 -1.113 19215 737 1 3 . 1 1 32 32 ASN H H 32 8.393 8.393 8.200 0.193 19215 738 1 3 . 1 1 33 33 GLU N N 33 122.031 122.031 121.104 0.927 19215 739 1 3 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.990 0.281 19215 740 1 3 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.737 -1.311 19215 741 1 3 . 1 1 33 33 GLU CB C 33 29.328 29.328 28.769 0.559 19215 742 1 3 . 1 1 33 33 GLU H H 33 8.711 8.711 8.579 0.132 19215 743 1 3 . 1 1 34 34 GLN N N 34 120.866 120.866 120.117 0.749 19215 744 1 3 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.027 0.244 19215 745 1 3 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.168 -2.942 19215 746 1 3 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.455 0.384 19215 747 1 3 . 1 1 34 34 GLN H H 34 8.438 8.438 8.311 0.127 19215 748 1 3 . 1 1 35 35 GLU N N 35 122.323 122.323 119.216 3.107 19215 749 1 3 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.111 0.208 19215 750 1 3 . 1 1 35 35 GLU C C 35 177.176 177.176 179.183 -2.007 19215 751 1 3 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.960 -1.964 19215 752 1 3 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.416 0.129 19215 753 1 3 . 1 1 35 35 GLU H H 35 8.424 8.424 7.799 0.625 19215 754 1 3 . 1 1 36 36 LEU N N 36 122.904 122.904 118.274 4.630 19215 755 1 3 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.134 0.185 19215 756 1 3 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.262 -1.364 19215 757 1 3 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.571 -0.075 19215 758 1 3 . 1 1 36 36 LEU H H 36 8.342 8.342 7.437 0.905 19215 759 1 3 . 1 1 38 38 GLU N N 38 121.931 121.931 120.466 1.465 19215 760 1 3 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.126 0.270 19215 761 1 3 . 1 1 38 38 GLU C C 38 177.318 177.318 178.829 -1.511 19215 762 1 3 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.541 -3.175 19215 763 1 3 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.913 -0.585 19215 764 1 3 . 1 1 38 38 GLU H H 38 8.342 8.342 8.148 0.194 19215 765 1 3 . 1 1 39 39 LEU N N 39 123.317 123.317 119.545 3.772 19215 766 1 3 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.383 1.965 19215 767 1 3 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.435 -0.602 19215 768 1 3 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.435 -0.049 19215 769 1 3 . 1 1 39 39 LEU H H 39 8.342 8.342 7.195 1.147 19215 770 1 3 . 1 1 40 40 ASP N N 40 119.726 119.726 117.331 2.395 19215 771 1 3 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.292 0.279 19215 772 1 3 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.291 -1.702 19215 773 1 3 . 1 1 40 40 ASP H H 40 8.530 8.530 8.468 0.062 19215 774 1 3 . 1 1 41 41 LYS N N 41 121.200 121.200 120.784 0.416 19215 775 1 3 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.153 0.011 19215 776 1 3 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.885 -0.665 19215 777 1 3 . 1 1 41 41 LYS H H 41 8.145 8.145 7.662 0.483 19215 778 1 3 . 1 1 42 42 TRP N N 42 120.615 120.615 118.516 2.099 19215 779 1 3 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.348 0.249 19215 780 1 3 . 1 1 42 42 TRP C C 42 177.641 177.641 178.509 -0.868 19215 781 1 3 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.855 -1.294 19215 782 1 3 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.613 1.226 19215 783 1 3 . 1 1 42 42 TRP H H 42 8.025 8.025 8.043 -0.018 19215 784 1 3 . 1 1 43 43 ALA N N 43 122.056 122.056 120.310 1.746 19215 785 1 3 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.134 0.006 19215 786 1 3 . 1 1 43 43 ALA C C 43 172.776 172.776 179.638 -6.862 19215 787 1 3 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.346 -0.482 19215 788 1 3 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.083 -0.109 19215 789 1 3 . 1 1 43 43 ALA H H 43 8.199 8.199 7.848 0.351 19215 790 1 3 . 1 1 44 44 SER N N 44 113.378 113.378 115.685 -2.307 19215 791 1 3 . 1 1 44 44 SER HA H 44 4.376 4.376 4.278 0.098 19215 792 1 3 . 1 1 44 44 SER C C 44 176.767 176.767 176.837 -0.070 19215 793 1 3 . 1 1 44 44 SER CA C 44 60.980 60.980 61.739 -0.759 19215 794 1 3 . 1 1 44 44 SER CB C 44 62.410 62.410 62.499 -0.089 19215 795 1 3 . 1 1 44 44 SER H H 44 8.210 8.210 8.283 -0.073 19215 796 1 3 . 1 1 45 45 LEU N N 45 123.425 123.425 119.150 4.275 19215 797 1 3 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.220 -0.026 19215 798 1 3 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.348 0.258 19215 799 1 3 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.138 0.032 19215 800 1 3 . 1 1 45 45 LEU H H 45 7.906 7.906 7.396 0.510 19215 801 1 3 . 1 1 46 46 TRP N N 46 118.572 118.572 121.338 -2.766 19215 802 1 3 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.488 0.167 19215 803 1 3 . 1 1 46 46 TRP C C 46 177.838 177.838 178.236 -0.398 19215 804 1 3 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.261 -1.354 19215 805 1 3 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.695 -0.476 19215 806 1 3 . 1 1 46 46 TRP H H 46 8.043 8.043 7.751 0.292 19215 807 1 3 . 1 1 47 47 ASN N N 47 116.564 116.564 117.444 -0.880 19215 808 1 3 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.647 -0.021 19215 809 1 3 . 1 1 47 47 ASN C C 47 176.904 176.904 177.924 -1.020 19215 810 1 3 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.272 -1.227 19215 811 1 3 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.657 -0.094 19215 812 1 3 . 1 1 47 47 ASN H H 47 8.174 8.174 8.826 -0.652 19215 813 1 3 . 1 1 48 48 TRP N N 48 121.421 121.421 121.634 -0.213 19215 814 1 3 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.519 -0.152 19215 815 1 3 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.698 0.819 19215 816 1 3 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.764 1.129 19215 817 1 3 . 1 1 48 48 TRP H H 48 8.145 8.145 8.050 0.095 19215 818 1 3 . 1 1 49 49 PHE N N 49 118.299 118.299 119.561 -1.262 19215 819 1 3 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.300 -0.048 19215 820 1 3 . 1 1 49 49 PHE C C 49 175.565 175.565 176.551 -0.986 19215 821 1 3 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.984 0.903 19215 822 1 3 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.647 0.024 19215 823 1 3 . 1 1 49 49 PHE H H 49 8.036 8.036 7.533 0.503 19215 824 1 3 . 1 1 50 50 ASN N N 50 118.836 118.836 120.167 -1.331 19215 825 1 3 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.437 0.189 19215 826 1 3 . 1 1 50 50 ASN C C 50 176.439 176.439 176.820 -0.381 19215 827 1 3 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.792 -2.578 19215 828 1 3 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.880 0.248 19215 829 1 3 . 1 1 50 50 ASN H H 50 7.795 7.795 7.951 -0.156 19215 830 1 3 . 1 1 51 51 ILE N N 51 120.218 120.218 116.026 4.192 19215 831 1 3 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.320 0.471 19215 832 1 3 . 1 1 51 51 ILE C C 51 177.202 177.202 176.932 0.270 19215 833 1 3 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.213 -1.111 19215 834 1 3 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.402 -0.035 19215 835 1 3 . 1 1 51 51 ILE H H 51 8.147 8.147 7.317 0.830 19215 836 1 3 . 1 1 52 52 THR N N 52 115.352 115.352 114.255 1.097 19215 837 1 3 . 1 1 52 52 THR HA H 52 4.031 4.031 4.194 -0.163 19215 838 1 3 . 1 1 52 52 THR C C 52 176.095 176.095 176.535 -0.440 19215 839 1 3 . 1 1 52 52 THR CA C 52 65.148 65.148 65.313 -0.165 19215 840 1 3 . 1 1 52 52 THR CB C 52 68.277 68.277 68.384 -0.107 19215 841 1 3 . 1 1 52 52 THR H H 52 8.009 8.009 7.432 0.577 19215 842 1 3 . 1 1 53 53 ASN N N 53 119.874 119.874 121.368 -1.494 19215 843 1 3 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.455 0.181 19215 844 1 3 . 1 1 53 53 ASN C C 53 176.530 176.530 177.849 -1.319 19215 845 1 3 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.018 -1.561 19215 846 1 3 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.695 -0.893 19215 847 1 3 . 1 1 53 53 ASN H H 53 7.972 7.972 7.382 0.590 19215 848 1 3 . 1 1 54 54 TRP N N 54 120.192 120.192 118.463 1.729 19215 849 1 3 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.686 -0.031 19215 850 1 3 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.815 0.828 19215 851 1 3 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.394 0.771 19215 852 1 3 . 1 1 54 54 TRP H H 54 7.897 7.897 7.556 0.341 19215 853 1 3 . 1 1 55 55 LEU N N 55 118.354 118.354 121.829 -3.475 19215 854 1 3 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.879 0.209 19215 855 1 3 . 1 1 55 55 LEU C C 55 177.975 177.975 178.835 -0.860 19215 856 1 3 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.248 -1.778 19215 857 1 3 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.645 -0.747 19215 858 1 3 . 1 1 55 55 LEU H H 55 7.931 7.931 7.365 0.566 19215 859 1 3 . 1 1 56 56 TRP N N 56 118.335 118.335 118.032 0.303 19215 860 1 3 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.294 0.073 19215 861 1 3 . 1 1 56 56 TRP C C 56 176.863 176.863 178.191 -1.328 19215 862 1 3 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.229 -2.159 19215 863 1 3 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.875 -0.035 19215 864 1 3 . 1 1 56 56 TRP H H 56 7.665 7.665 7.965 -0.300 19215 865 1 3 . 1 1 57 57 TYR N N 57 116.808 116.808 118.915 -2.107 19215 866 1 3 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.261 -0.089 19215 867 1 3 . 1 1 57 57 TYR C C 57 176.085 176.085 177.276 -1.191 19215 868 1 3 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.494 -1.629 19215 869 1 3 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.875 -0.312 19215 870 1 3 . 1 1 57 57 TYR H H 57 7.578 7.578 7.777 -0.199 19215 871 1 3 . 1 1 58 58 ILE N N 58 115.526 115.526 117.363 -1.837 19215 872 1 3 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.940 0.325 19215 873 1 3 . 1 1 58 58 ILE C C 58 174.782 174.782 175.642 -0.860 19215 874 1 3 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.714 -1.774 19215 875 1 3 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.941 -0.759 19215 876 1 3 . 1 1 58 58 ILE H H 58 7.586 7.586 8.104 -0.518 19215 877 1 4 . 1 1 2 2 TYR N N 2 120.470 120.470 119.934 0.536 19215 878 1 4 . 1 1 2 2 TYR C C 2 176.535 176.535 175.947 0.588 19215 879 1 4 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.811 -1.816 19215 880 1 4 . 1 1 2 2 TYR CB C 2 37.313 37.313 40.051 -2.738 19215 881 1 4 . 1 1 2 2 TYR H H 2 7.951 7.951 8.045 -0.094 19215 882 1 4 . 1 1 3 3 ILE N N 3 118.307 118.307 114.997 3.310 19215 883 1 4 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.935 -2.967 19215 884 1 4 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.685 1.389 19215 885 1 4 . 1 1 3 3 ILE H H 3 8.381 8.381 7.893 0.488 19215 886 1 4 . 1 1 5 5 GLU N N 5 118.785 118.785 123.866 -5.081 19215 887 1 4 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.425 -0.170 19215 888 1 4 . 1 1 5 5 GLU C C 5 176.267 176.267 175.875 0.392 19215 889 1 4 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.204 -0.245 19215 890 1 4 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.422 -0.388 19215 891 1 4 . 1 1 5 5 GLU H H 5 7.710 7.710 8.892 -1.182 19215 892 1 4 . 1 1 6 6 ALA N N 6 131.546 131.546 122.484 9.062 19215 893 1 4 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.138 -0.563 19215 894 1 4 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.932 -0.973 19215 895 1 4 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.152 -2.763 19215 896 1 4 . 1 1 6 6 ALA H H 6 8.338 8.338 8.130 0.208 19215 897 1 4 . 1 1 8 8 ARG N N 8 126.915 126.915 124.698 2.217 19215 898 1 4 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.578 -0.508 19215 899 1 4 . 1 1 8 8 ARG C C 8 175.110 175.110 175.505 -0.395 19215 900 1 4 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.210 -0.511 19215 901 1 4 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.382 -2.304 19215 902 1 4 . 1 1 8 8 ARG H H 8 8.725 8.725 8.455 0.270 19215 903 1 4 . 1 1 9 9 ASP N N 9 123.653 123.653 121.743 1.910 19215 904 1 4 . 1 1 9 9 ASP C C 9 178.015 178.015 177.140 0.875 19215 905 1 4 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.546 -1.799 19215 906 1 4 . 1 1 9 9 ASP CB C 9 40.844 40.844 40.883 -0.039 19215 907 1 4 . 1 1 9 9 ASP H H 9 8.432 8.432 8.625 -0.193 19215 908 1 4 . 1 1 10 10 GLY N N 10 111.908 111.908 108.145 3.763 19215 909 1 4 . 1 1 10 10 GLY C C 10 174.822 174.822 174.442 0.380 19215 910 1 4 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.045 0.199 19215 911 1 4 . 1 1 10 10 GLY H H 10 9.727 9.727 8.439 1.288 19215 912 1 4 . 1 1 11 11 GLN N N 11 118.395 118.395 120.501 -2.106 19215 913 1 4 . 1 1 11 11 GLN C C 11 174.711 174.711 174.988 -0.277 19215 914 1 4 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.627 -2.229 19215 915 1 4 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.095 0.211 19215 916 1 4 . 1 1 11 11 GLN H H 11 8.416 8.416 8.336 0.080 19215 917 1 4 . 1 1 12 12 ALA N N 12 121.020 121.020 128.140 -7.120 19215 918 1 4 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.533 0.410 19215 919 1 4 . 1 1 12 12 ALA C C 12 177.990 177.990 175.811 2.179 19215 920 1 4 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.310 -0.799 19215 921 1 4 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.275 -0.128 19215 922 1 4 . 1 1 12 12 ALA H H 12 7.933 7.933 8.455 -0.522 19215 923 1 4 . 1 1 13 13 TYR N N 13 121.755 121.755 118.266 3.489 19215 924 1 4 . 1 1 13 13 TYR C C 13 175.519 175.519 173.511 2.008 19215 925 1 4 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.582 3.508 19215 926 1 4 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.550 2.630 19215 927 1 4 . 1 1 13 13 TYR H H 13 9.575 9.575 7.795 1.780 19215 928 1 4 . 1 1 14 14 VAL N N 14 112.251 112.251 119.629 -7.378 19215 929 1 4 . 1 1 14 14 VAL C C 14 174.074 174.074 174.594 -0.520 19215 930 1 4 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.310 -0.220 19215 931 1 4 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.429 -2.679 19215 932 1 4 . 1 1 14 14 VAL H H 14 9.659 9.659 9.063 0.596 19215 933 1 4 . 1 1 15 15 ARG N N 15 124.657 124.657 122.992 1.665 19215 934 1 4 . 1 1 15 15 ARG C C 15 174.948 174.948 175.504 -0.556 19215 935 1 4 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.312 -1.792 19215 936 1 4 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.912 1.621 19215 937 1 4 . 1 1 15 15 ARG H H 15 8.503 8.503 8.538 -0.035 19215 938 1 4 . 1 1 16 16 LYS N N 16 128.240 128.240 127.128 1.112 19215 939 1 4 . 1 1 16 16 LYS C C 16 175.974 175.974 175.715 0.259 19215 940 1 4 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.314 0.462 19215 941 1 4 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.263 2.290 19215 942 1 4 . 1 1 16 16 LYS H H 16 9.052 9.052 8.245 0.807 19215 943 1 4 . 1 1 17 17 ASP N N 17 130.562 130.562 124.609 5.953 19215 944 1 4 . 1 1 17 17 ASP C C 17 175.822 175.822 176.317 -0.495 19215 945 1 4 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.576 1.871 19215 946 1 4 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.473 0.719 19215 947 1 4 . 1 1 17 17 ASP H H 17 10.886 10.886 8.957 1.929 19215 948 1 4 . 1 1 18 18 GLY N N 18 104.754 104.754 105.484 -0.730 19215 949 1 4 . 1 1 18 18 GLY C C 18 173.104 173.104 173.090 0.014 19215 950 1 4 . 1 1 18 18 GLY CA C 18 45.244 45.244 44.981 0.263 19215 951 1 4 . 1 1 18 18 GLY H H 18 9.353 9.353 8.338 1.015 19215 952 1 4 . 1 1 19 19 GLU N N 19 117.501 117.501 118.536 -1.035 19215 953 1 4 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.000 0.648 19215 954 1 4 . 1 1 19 19 GLU C C 19 176.166 176.166 175.279 0.887 19215 955 1 4 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.092 -0.227 19215 956 1 4 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.886 0.244 19215 957 1 4 . 1 1 19 19 GLU H H 19 7.813 7.813 7.744 0.069 19215 958 1 4 . 1 1 20 20 TRP N N 20 122.768 122.768 121.973 0.795 19215 959 1 4 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.872 -0.205 19215 960 1 4 . 1 1 20 20 TRP C C 20 176.302 176.302 176.680 -0.378 19215 961 1 4 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.368 -0.490 19215 962 1 4 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.440 0.105 19215 963 1 4 . 1 1 20 20 TRP H H 20 9.094 9.094 7.762 1.332 19215 964 1 4 . 1 1 21 21 VAL N N 21 123.071 123.071 124.905 -1.834 19215 965 1 4 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.414 0.571 19215 966 1 4 . 1 1 21 21 VAL C C 21 175.640 175.640 175.221 0.419 19215 967 1 4 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.691 -1.154 19215 968 1 4 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.304 -0.653 19215 969 1 4 . 1 1 21 21 VAL H H 21 9.868 9.868 8.528 1.340 19215 970 1 4 . 1 1 22 22 LEU N N 22 127.193 127.193 128.767 -1.574 19215 971 1 4 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.521 -0.099 19215 972 1 4 . 1 1 22 22 LEU C C 22 179.268 179.268 178.409 0.859 19215 973 1 4 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.683 -0.049 19215 974 1 4 . 1 1 22 22 LEU CB C 22 41.279 41.279 42.309 -1.030 19215 975 1 4 . 1 1 22 22 LEU H H 22 8.812 8.812 8.847 -0.035 19215 976 1 4 . 1 1 23 23 LEU N N 23 126.386 126.386 128.286 -1.900 19215 977 1 4 . 1 1 23 23 LEU C C 23 178.844 178.844 178.545 0.299 19215 978 1 4 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.802 -0.399 19215 979 1 4 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.285 -1.224 19215 980 1 4 . 1 1 23 23 LEU H H 23 8.562 8.562 8.463 0.099 19215 981 1 4 . 1 1 24 24 SER N N 24 113.100 113.100 112.061 1.039 19215 982 1 4 . 1 1 24 24 SER HA H 24 4.621 4.621 4.199 0.422 19215 983 1 4 . 1 1 24 24 SER C C 24 176.676 176.676 175.827 0.849 19215 984 1 4 . 1 1 24 24 SER CA C 24 60.960 60.960 61.225 -0.265 19215 985 1 4 . 1 1 24 24 SER CB C 24 61.650 61.650 62.619 -0.969 19215 986 1 4 . 1 1 24 24 SER H H 24 9.098 9.098 8.618 0.480 19215 987 1 4 . 1 1 25 25 THR N N 25 116.715 116.715 116.231 0.484 19215 988 1 4 . 1 1 25 25 THR HA H 25 3.915 3.915 4.144 -0.229 19215 989 1 4 . 1 1 25 25 THR CA C 25 64.599 64.599 64.555 0.044 19215 990 1 4 . 1 1 25 25 THR CB C 25 68.657 68.657 68.380 0.277 19215 991 1 4 . 1 1 25 25 THR H H 25 7.238 7.238 7.720 -0.482 19215 992 1 4 . 1 1 26 26 PHE N N 26 118.488 118.488 118.277 0.211 19215 993 1 4 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.459 -0.349 19215 994 1 4 . 1 1 26 26 PHE C C 26 176.181 176.181 176.645 -0.464 19215 995 1 4 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.110 -1.483 19215 996 1 4 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.626 0.167 19215 997 1 4 . 1 1 26 26 PHE H H 26 7.945 7.945 7.661 0.284 19215 998 1 4 . 1 1 27 27 LEU N N 27 118.525 118.525 119.354 -0.829 19215 999 1 4 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.285 0.238 19215 1000 1 4 . 1 1 27 27 LEU C C 27 177.752 177.752 178.454 -0.702 19215 1001 1 4 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.209 -1.530 19215 1002 1 4 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.613 -1.280 19215 1003 1 4 . 1 1 27 27 LEU H H 27 7.290 7.290 7.608 -0.318 19215 1004 1 4 . 1 1 28 28 GLY N N 28 108.823 108.823 104.867 3.956 19215 1005 1 4 . 1 1 28 28 GLY C C 28 174.630 174.630 175.077 -0.447 19215 1006 1 4 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.447 -0.073 19215 1007 1 4 . 1 1 28 28 GLY H H 28 8.242 8.242 7.965 0.277 19215 1008 1 4 . 1 1 29 29 SER N N 29 116.210 116.210 116.315 -0.105 19215 1009 1 4 . 1 1 29 29 SER HA H 29 4.626 4.626 4.470 0.156 19215 1010 1 4 . 1 1 29 29 SER C C 29 175.312 175.312 174.192 1.120 19215 1011 1 4 . 1 1 29 29 SER CA C 29 57.992 57.992 58.054 -0.062 19215 1012 1 4 . 1 1 29 29 SER CB C 29 63.605 63.605 61.307 2.298 19215 1013 1 4 . 1 1 29 29 SER H H 29 8.310 8.310 8.156 0.154 19215 1014 1 4 . 1 1 30 30 SER N N 30 118.892 118.892 120.253 -1.361 19215 1015 1 4 . 1 1 30 30 SER HA H 30 4.597 4.597 4.622 -0.025 19215 1016 1 4 . 1 1 30 30 SER C C 30 175.479 175.479 175.311 0.168 19215 1017 1 4 . 1 1 30 30 SER CA C 30 58.582 58.582 58.745 -0.163 19215 1018 1 4 . 1 1 30 30 SER CB C 30 63.605 63.605 64.138 -0.533 19215 1019 1 4 . 1 1 30 30 SER H H 30 8.593 8.593 8.506 0.087 19215 1020 1 4 . 1 1 31 31 GLY N N 31 111.354 111.354 111.867 -0.513 19215 1021 1 4 . 1 1 31 31 GLY C C 31 174.428 174.428 175.599 -1.171 19215 1022 1 4 . 1 1 31 31 GLY CA C 31 45.456 45.456 46.149 -0.693 19215 1023 1 4 . 1 1 31 31 GLY H H 31 8.584 8.584 8.387 0.197 19215 1024 1 4 . 1 1 32 32 ASN N N 32 119.486 119.486 120.649 -1.163 19215 1025 1 4 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.861 -0.044 19215 1026 1 4 . 1 1 32 32 ASN C C 32 175.928 175.928 176.648 -0.720 19215 1027 1 4 . 1 1 32 32 ASN CA C 32 53.215 53.215 52.822 0.393 19215 1028 1 4 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.235 1.545 19215 1029 1 4 . 1 1 32 32 ASN H H 32 8.393 8.393 8.628 -0.235 19215 1030 1 4 . 1 1 33 33 GLU N N 33 122.031 122.031 120.283 1.748 19215 1031 1 4 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.023 0.248 19215 1032 1 4 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.797 -1.371 19215 1033 1 4 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.272 0.056 19215 1034 1 4 . 1 1 33 33 GLU H H 33 8.711 8.711 8.255 0.456 19215 1035 1 4 . 1 1 34 34 GLN N N 34 120.866 120.866 117.233 3.633 19215 1036 1 4 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.127 0.144 19215 1037 1 4 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.626 -2.400 19215 1038 1 4 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.990 -0.151 19215 1039 1 4 . 1 1 34 34 GLN H H 34 8.438 8.438 7.616 0.822 19215 1040 1 4 . 1 1 35 35 GLU N N 35 122.323 122.323 120.040 2.283 19215 1041 1 4 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.261 0.058 19215 1042 1 4 . 1 1 35 35 GLU C C 35 177.176 177.176 179.011 -1.835 19215 1043 1 4 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.241 -2.245 19215 1044 1 4 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.196 0.349 19215 1045 1 4 . 1 1 35 35 GLU H H 35 8.424 8.424 7.653 0.771 19215 1046 1 4 . 1 1 36 36 LEU N N 36 122.904 122.904 116.510 6.394 19215 1047 1 4 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.182 0.137 19215 1048 1 4 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.992 -1.094 19215 1049 1 4 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.244 0.252 19215 1050 1 4 . 1 1 36 36 LEU H H 36 8.342 8.342 7.534 0.808 19215 1051 1 4 . 1 1 38 38 GLU N N 38 121.931 121.931 121.367 0.564 19215 1052 1 4 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.093 0.303 19215 1053 1 4 . 1 1 38 38 GLU C C 38 177.318 177.318 178.288 -0.970 19215 1054 1 4 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.498 -3.131 19215 1055 1 4 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.387 -0.059 19215 1056 1 4 . 1 1 38 38 GLU H H 38 8.342 8.342 8.000 0.342 19215 1057 1 4 . 1 1 39 39 LEU N N 39 123.317 123.317 120.274 3.043 19215 1058 1 4 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.405 1.943 19215 1059 1 4 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.896 -1.063 19215 1060 1 4 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.493 -0.106 19215 1061 1 4 . 1 1 39 39 LEU H H 39 8.342 8.342 7.210 1.132 19215 1062 1 4 . 1 1 40 40 ASP N N 40 119.726 119.726 117.413 2.313 19215 1063 1 4 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.260 0.311 19215 1064 1 4 . 1 1 40 40 ASP CA C 40 55.589 55.589 58.391 -2.802 19215 1065 1 4 . 1 1 40 40 ASP H H 40 8.530 8.530 8.361 0.169 19215 1066 1 4 . 1 1 41 41 LYS N N 41 121.200 121.200 120.452 0.748 19215 1067 1 4 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.154 0.010 19215 1068 1 4 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.847 -0.627 19215 1069 1 4 . 1 1 41 41 LYS H H 41 8.145 8.145 7.359 0.786 19215 1070 1 4 . 1 1 42 42 TRP N N 42 120.615 120.615 119.347 1.268 19215 1071 1 4 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.404 0.193 19215 1072 1 4 . 1 1 42 42 TRP C C 42 177.641 177.641 178.023 -0.382 19215 1073 1 4 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.753 -0.192 19215 1074 1 4 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.925 0.914 19215 1075 1 4 . 1 1 42 42 TRP H H 42 8.025 8.025 8.008 0.017 19215 1076 1 4 . 1 1 43 43 ALA N N 43 122.056 122.056 120.286 1.770 19215 1077 1 4 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.075 0.065 19215 1078 1 4 . 1 1 43 43 ALA C C 43 172.776 172.776 179.476 -6.700 19215 1079 1 4 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.219 -0.356 19215 1080 1 4 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.094 -0.120 19215 1081 1 4 . 1 1 43 43 ALA H H 43 8.199 8.199 7.791 0.408 19215 1082 1 4 . 1 1 44 44 SER N N 44 113.378 113.378 114.374 -0.996 19215 1083 1 4 . 1 1 44 44 SER HA H 44 4.376 4.376 4.160 0.216 19215 1084 1 4 . 1 1 44 44 SER C C 44 176.767 176.767 176.372 0.395 19215 1085 1 4 . 1 1 44 44 SER CA C 44 60.980 60.980 61.569 -0.589 19215 1086 1 4 . 1 1 44 44 SER CB C 44 62.410 62.410 62.850 -0.440 19215 1087 1 4 . 1 1 44 44 SER H H 44 8.210 8.210 7.854 0.356 19215 1088 1 4 . 1 1 45 45 LEU N N 45 123.425 123.425 120.483 2.942 19215 1089 1 4 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.767 1.427 19215 1090 1 4 . 1 1 45 45 LEU CA C 45 57.606 57.606 56.576 1.030 19215 1091 1 4 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.427 -0.257 19215 1092 1 4 . 1 1 45 45 LEU H H 45 7.906 7.906 7.187 0.719 19215 1093 1 4 . 1 1 46 46 TRP N N 46 118.572 118.572 120.156 -1.584 19215 1094 1 4 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.160 0.495 19215 1095 1 4 . 1 1 46 46 TRP C C 46 177.838 177.838 178.136 -0.298 19215 1096 1 4 . 1 1 46 46 TRP CA C 46 58.907 58.907 59.749 -0.842 19215 1097 1 4 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.620 -0.401 19215 1098 1 4 . 1 1 46 46 TRP H H 46 8.043 8.043 7.491 0.552 19215 1099 1 4 . 1 1 47 47 ASN N N 47 116.564 116.564 118.310 -1.746 19215 1100 1 4 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.186 0.440 19215 1101 1 4 . 1 1 47 47 ASN C C 47 176.904 176.904 177.456 -0.552 19215 1102 1 4 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.273 -1.228 19215 1103 1 4 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.906 0.657 19215 1104 1 4 . 1 1 47 47 ASN H H 47 8.174 8.174 8.529 -0.355 19215 1105 1 4 . 1 1 48 48 TRP N N 48 121.421 121.421 119.305 2.116 19215 1106 1 4 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.511 -0.144 19215 1107 1 4 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.052 1.465 19215 1108 1 4 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.932 0.961 19215 1109 1 4 . 1 1 48 48 TRP H H 48 8.145 8.145 7.317 0.828 19215 1110 1 4 . 1 1 49 49 PHE N N 49 118.299 118.299 120.861 -2.562 19215 1111 1 4 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.368 -0.116 19215 1112 1 4 . 1 1 49 49 PHE C C 49 175.565 175.565 175.954 -0.389 19215 1113 1 4 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.573 -1.686 19215 1114 1 4 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.005 0.666 19215 1115 1 4 . 1 1 49 49 PHE H H 49 8.036 8.036 7.229 0.807 19215 1116 1 4 . 1 1 50 50 ASN N N 50 118.836 118.836 119.337 -0.501 19215 1117 1 4 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.489 0.137 19215 1118 1 4 . 1 1 50 50 ASN C C 50 176.439 176.439 177.595 -1.156 19215 1119 1 4 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.724 -2.510 19215 1120 1 4 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.374 -0.246 19215 1121 1 4 . 1 1 50 50 ASN H H 50 7.795 7.795 7.681 0.114 19215 1122 1 4 . 1 1 51 51 ILE N N 51 120.218 120.218 117.886 2.332 19215 1123 1 4 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.982 -0.191 19215 1124 1 4 . 1 1 51 51 ILE C C 51 177.202 177.202 177.112 0.090 19215 1125 1 4 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.527 -1.425 19215 1126 1 4 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.616 -0.249 19215 1127 1 4 . 1 1 51 51 ILE H H 51 8.147 8.147 8.156 -0.009 19215 1128 1 4 . 1 1 52 52 THR N N 52 115.352 115.352 114.173 1.179 19215 1129 1 4 . 1 1 52 52 THR HA H 52 4.031 4.031 4.127 -0.096 19215 1130 1 4 . 1 1 52 52 THR C C 52 176.095 176.095 176.214 -0.119 19215 1131 1 4 . 1 1 52 52 THR CA C 52 65.148 65.148 66.511 -1.363 19215 1132 1 4 . 1 1 52 52 THR CB C 52 68.277 68.277 68.953 -0.676 19215 1133 1 4 . 1 1 52 52 THR H H 52 8.009 8.009 7.724 0.285 19215 1134 1 4 . 1 1 53 53 ASN N N 53 119.874 119.874 118.819 1.055 19215 1135 1 4 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.337 0.299 19215 1136 1 4 . 1 1 53 53 ASN C C 53 176.530 176.530 177.315 -0.785 19215 1137 1 4 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.293 -0.836 19215 1138 1 4 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.217 -0.415 19215 1139 1 4 . 1 1 53 53 ASN H H 53 7.972 7.972 7.977 -0.005 19215 1140 1 4 . 1 1 54 54 TRP N N 54 120.192 120.192 118.610 1.582 19215 1141 1 4 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.790 -0.135 19215 1142 1 4 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.075 0.568 19215 1143 1 4 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.230 -0.065 19215 1144 1 4 . 1 1 54 54 TRP H H 54 7.897 7.897 7.391 0.506 19215 1145 1 4 . 1 1 55 55 LEU N N 55 118.354 118.354 120.654 -2.300 19215 1146 1 4 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.917 0.171 19215 1147 1 4 . 1 1 55 55 LEU C C 55 177.975 177.975 178.750 -0.775 19215 1148 1 4 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.287 -1.817 19215 1149 1 4 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.507 -0.609 19215 1150 1 4 . 1 1 55 55 LEU H H 55 7.931 7.931 7.601 0.330 19215 1151 1 4 . 1 1 56 56 TRP N N 56 118.335 118.335 116.189 2.146 19215 1152 1 4 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.393 -0.026 19215 1153 1 4 . 1 1 56 56 TRP C C 56 176.863 176.863 177.740 -0.877 19215 1154 1 4 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.249 -1.179 19215 1155 1 4 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.035 -0.196 19215 1156 1 4 . 1 1 56 56 TRP H H 56 7.665 7.665 8.026 -0.361 19215 1157 1 4 . 1 1 57 57 TYR N N 57 116.808 116.808 118.022 -1.214 19215 1158 1 4 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.258 -0.087 19215 1159 1 4 . 1 1 57 57 TYR C C 57 176.085 176.085 177.579 -1.494 19215 1160 1 4 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.807 -0.942 19215 1161 1 4 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.070 -0.507 19215 1162 1 4 . 1 1 57 57 TYR H H 57 7.578 7.578 7.715 -0.137 19215 1163 1 4 . 1 1 58 58 ILE N N 58 115.526 115.526 117.109 -1.583 19215 1164 1 4 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.870 0.395 19215 1165 1 4 . 1 1 58 58 ILE C C 58 174.782 174.782 176.710 -1.928 19215 1166 1 4 . 1 1 58 58 ILE CA C 58 60.940 60.940 63.785 -2.845 19215 1167 1 4 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.894 -0.712 19215 1168 1 4 . 1 1 58 58 ILE H H 58 7.586 7.586 8.542 -0.956 19215 1169 1 5 . 1 1 2 2 TYR N N 2 120.470 120.470 120.425 0.045 19215 1170 1 5 . 1 1 2 2 TYR C C 2 176.535 176.535 176.236 0.299 19215 1171 1 5 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.498 -1.502 19215 1172 1 5 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.334 -2.021 19215 1173 1 5 . 1 1 2 2 TYR H H 2 7.951 7.951 7.905 0.046 19215 1174 1 5 . 1 1 3 3 ILE N N 3 118.307 118.307 116.224 2.083 19215 1175 1 5 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.609 -2.641 19215 1176 1 5 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.843 1.231 19215 1177 1 5 . 1 1 3 3 ILE H H 3 8.381 8.381 8.061 0.320 19215 1178 1 5 . 1 1 5 5 GLU N N 5 118.785 118.785 121.162 -2.377 19215 1179 1 5 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.348 -0.093 19215 1180 1 5 . 1 1 5 5 GLU C C 5 176.267 176.267 175.828 0.439 19215 1181 1 5 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.308 -0.349 19215 1182 1 5 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.063 -0.029 19215 1183 1 5 . 1 1 5 5 GLU H H 5 7.710 7.710 8.763 -1.053 19215 1184 1 5 . 1 1 6 6 ALA N N 6 131.546 131.546 123.213 8.333 19215 1185 1 5 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.131 -0.556 19215 1186 1 5 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.881 -0.922 19215 1187 1 5 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.062 -2.673 19215 1188 1 5 . 1 1 6 6 ALA H H 6 8.338 8.338 7.942 0.396 19215 1189 1 5 . 1 1 8 8 ARG N N 8 126.915 126.915 123.465 3.450 19215 1190 1 5 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.594 -0.524 19215 1191 1 5 . 1 1 8 8 ARG C C 8 175.110 175.110 174.880 0.230 19215 1192 1 5 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.324 -0.625 19215 1193 1 5 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.901 -2.823 19215 1194 1 5 . 1 1 8 8 ARG H H 8 8.725 8.725 8.210 0.515 19215 1195 1 5 . 1 1 9 9 ASP N N 9 123.653 123.653 123.540 0.113 19215 1196 1 5 . 1 1 9 9 ASP C C 9 178.015 178.015 176.722 1.293 19215 1197 1 5 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.556 -1.809 19215 1198 1 5 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.552 -0.708 19215 1199 1 5 . 1 1 9 9 ASP H H 9 8.432 8.432 8.794 -0.362 19215 1200 1 5 . 1 1 10 10 GLY N N 10 111.908 111.908 108.469 3.439 19215 1201 1 5 . 1 1 10 10 GLY C C 10 174.822 174.822 175.006 -0.184 19215 1202 1 5 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.373 -0.129 19215 1203 1 5 . 1 1 10 10 GLY H H 10 9.727 9.727 8.447 1.280 19215 1204 1 5 . 1 1 11 11 GLN N N 11 118.395 118.395 118.121 0.274 19215 1205 1 5 . 1 1 11 11 GLN C C 11 174.711 174.711 174.197 0.514 19215 1206 1 5 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.189 -1.791 19215 1207 1 5 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.856 0.450 19215 1208 1 5 . 1 1 11 11 GLN H H 11 8.416 8.416 7.954 0.462 19215 1209 1 5 . 1 1 12 12 ALA N N 12 121.020 121.020 123.889 -2.869 19215 1210 1 5 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.290 0.653 19215 1211 1 5 . 1 1 12 12 ALA C C 12 177.990 177.990 175.647 2.343 19215 1212 1 5 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.156 -0.645 19215 1213 1 5 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.907 -0.760 19215 1214 1 5 . 1 1 12 12 ALA H H 12 7.933 7.933 8.380 -0.447 19215 1215 1 5 . 1 1 13 13 TYR N N 13 121.755 121.755 117.015 4.740 19215 1216 1 5 . 1 1 13 13 TYR C C 13 175.519 175.519 173.810 1.709 19215 1217 1 5 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.667 3.423 19215 1218 1 5 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.731 2.449 19215 1219 1 5 . 1 1 13 13 TYR H H 13 9.575 9.575 7.573 2.002 19215 1220 1 5 . 1 1 14 14 VAL N N 14 112.251 112.251 119.731 -7.480 19215 1221 1 5 . 1 1 14 14 VAL C C 14 174.074 174.074 174.684 -0.610 19215 1222 1 5 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.250 -0.160 19215 1223 1 5 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.371 -2.621 19215 1224 1 5 . 1 1 14 14 VAL H H 14 9.659 9.659 9.128 0.531 19215 1225 1 5 . 1 1 15 15 ARG N N 15 124.657 124.657 123.693 0.964 19215 1226 1 5 . 1 1 15 15 ARG C C 15 174.948 174.948 175.758 -0.810 19215 1227 1 5 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.481 -1.962 19215 1228 1 5 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.167 2.366 19215 1229 1 5 . 1 1 15 15 ARG H H 15 8.503 8.503 8.568 -0.065 19215 1230 1 5 . 1 1 16 16 LYS N N 16 128.240 128.240 126.395 1.845 19215 1231 1 5 . 1 1 16 16 LYS C C 16 175.974 175.974 175.079 0.895 19215 1232 1 5 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.514 0.262 19215 1233 1 5 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.023 1.530 19215 1234 1 5 . 1 1 16 16 LYS H H 16 9.052 9.052 8.147 0.905 19215 1235 1 5 . 1 1 17 17 ASP N N 17 130.562 130.562 123.375 7.187 19215 1236 1 5 . 1 1 17 17 ASP C C 17 175.822 175.822 175.625 0.197 19215 1237 1 5 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.016 1.431 19215 1238 1 5 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.816 1.376 19215 1239 1 5 . 1 1 17 17 ASP H H 17 10.886 10.886 8.849 2.037 19215 1240 1 5 . 1 1 18 18 GLY N N 18 104.754 104.754 105.018 -0.264 19215 1241 1 5 . 1 1 18 18 GLY C C 18 173.104 173.104 173.162 -0.058 19215 1242 1 5 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.225 0.019 19215 1243 1 5 . 1 1 18 18 GLY H H 18 9.353 9.353 8.295 1.058 19215 1244 1 5 . 1 1 19 19 GLU N N 19 117.501 117.501 118.159 -0.658 19215 1245 1 5 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.227 0.421 19215 1246 1 5 . 1 1 19 19 GLU C C 19 176.166 176.166 174.403 1.763 19215 1247 1 5 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.708 0.158 19215 1248 1 5 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.196 -0.066 19215 1249 1 5 . 1 1 19 19 GLU H H 19 7.813 7.813 7.878 -0.065 19215 1250 1 5 . 1 1 20 20 TRP N N 20 122.768 122.768 122.943 -0.175 19215 1251 1 5 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.863 -0.196 19215 1252 1 5 . 1 1 20 20 TRP C C 20 176.302 176.302 176.132 0.170 19215 1253 1 5 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.832 -0.954 19215 1254 1 5 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.395 0.150 19215 1255 1 5 . 1 1 20 20 TRP H H 20 9.094 9.094 8.316 0.778 19215 1256 1 5 . 1 1 21 21 VAL N N 21 123.071 123.071 123.811 -0.740 19215 1257 1 5 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.513 0.472 19215 1258 1 5 . 1 1 21 21 VAL C C 21 175.640 175.640 175.664 -0.024 19215 1259 1 5 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.556 -1.019 19215 1260 1 5 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.538 -0.887 19215 1261 1 5 . 1 1 21 21 VAL H H 21 9.868 9.868 8.485 1.383 19215 1262 1 5 . 1 1 22 22 LEU N N 22 127.193 127.193 128.532 -1.339 19215 1263 1 5 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.567 -0.145 19215 1264 1 5 . 1 1 22 22 LEU C C 22 179.268 179.268 178.671 0.597 19215 1265 1 5 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.678 -0.045 19215 1266 1 5 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.683 -0.404 19215 1267 1 5 . 1 1 22 22 LEU H H 22 8.812 8.812 8.873 -0.061 19215 1268 1 5 . 1 1 23 23 LEU N N 23 126.386 126.386 128.210 -1.824 19215 1269 1 5 . 1 1 23 23 LEU C C 23 178.844 178.844 178.491 0.353 19215 1270 1 5 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.071 -0.668 19215 1271 1 5 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.228 -1.167 19215 1272 1 5 . 1 1 23 23 LEU H H 23 8.562 8.562 8.222 0.340 19215 1273 1 5 . 1 1 24 24 SER N N 24 113.100 113.100 114.032 -0.932 19215 1274 1 5 . 1 1 24 24 SER HA H 24 4.621 4.621 4.097 0.524 19215 1275 1 5 . 1 1 24 24 SER C C 24 176.676 176.676 176.251 0.425 19215 1276 1 5 . 1 1 24 24 SER CA C 24 60.960 60.960 61.455 -0.495 19215 1277 1 5 . 1 1 24 24 SER CB C 24 61.650 61.650 62.793 -1.143 19215 1278 1 5 . 1 1 24 24 SER H H 24 9.098 9.098 8.700 0.398 19215 1279 1 5 . 1 1 25 25 THR N N 25 116.715 116.715 118.185 -1.470 19215 1280 1 5 . 1 1 25 25 THR HA H 25 3.915 3.915 4.037 -0.122 19215 1281 1 5 . 1 1 25 25 THR CA C 25 64.599 64.599 65.733 -1.134 19215 1282 1 5 . 1 1 25 25 THR CB C 25 68.657 68.657 68.936 -0.279 19215 1283 1 5 . 1 1 25 25 THR H H 25 7.238 7.238 7.687 -0.449 19215 1284 1 5 . 1 1 26 26 PHE N N 26 118.488 118.488 119.518 -1.030 19215 1285 1 5 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.477 -0.367 19215 1286 1 5 . 1 1 26 26 PHE C C 26 176.181 176.181 176.692 -0.511 19215 1287 1 5 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.536 -0.909 19215 1288 1 5 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.407 0.386 19215 1289 1 5 . 1 1 26 26 PHE H H 26 7.945 7.945 8.275 -0.330 19215 1290 1 5 . 1 1 27 27 LEU N N 27 118.525 118.525 119.567 -1.042 19215 1291 1 5 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.226 0.297 19215 1292 1 5 . 1 1 27 27 LEU C C 27 177.752 177.752 177.714 0.038 19215 1293 1 5 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.772 -1.093 19215 1294 1 5 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.635 -1.302 19215 1295 1 5 . 1 1 27 27 LEU H H 27 7.290 7.290 7.667 -0.377 19215 1296 1 5 . 1 1 28 28 GLY N N 28 108.823 108.823 107.385 1.438 19215 1297 1 5 . 1 1 28 28 GLY C C 28 174.630 174.630 174.705 -0.075 19215 1298 1 5 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.764 0.610 19215 1299 1 5 . 1 1 28 28 GLY H H 28 8.242 8.242 7.655 0.587 19215 1300 1 5 . 1 1 29 29 SER N N 29 116.210 116.210 120.043 -3.833 19215 1301 1 5 . 1 1 29 29 SER HA H 29 4.626 4.626 3.997 0.629 19215 1302 1 5 . 1 1 29 29 SER C C 29 175.312 175.312 174.787 0.525 19215 1303 1 5 . 1 1 29 29 SER CA C 29 57.992 57.992 59.838 -1.846 19215 1304 1 5 . 1 1 29 29 SER CB C 29 63.605 63.605 62.639 0.966 19215 1305 1 5 . 1 1 29 29 SER H H 29 8.310 8.310 8.907 -0.597 19215 1306 1 5 . 1 1 30 30 SER N N 30 118.892 118.892 115.306 3.586 19215 1307 1 5 . 1 1 30 30 SER HA H 30 4.597 4.597 4.248 0.349 19215 1308 1 5 . 1 1 30 30 SER C C 30 175.479 175.479 175.108 0.371 19215 1309 1 5 . 1 1 30 30 SER CA C 30 58.582 58.582 60.026 -1.444 19215 1310 1 5 . 1 1 30 30 SER CB C 30 63.605 63.605 62.124 1.481 19215 1311 1 5 . 1 1 30 30 SER H H 30 8.593 8.593 8.222 0.371 19215 1312 1 5 . 1 1 31 31 GLY N N 31 111.354 111.354 107.539 3.815 19215 1313 1 5 . 1 1 31 31 GLY C C 31 174.428 174.428 175.150 -0.722 19215 1314 1 5 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.932 -0.476 19215 1315 1 5 . 1 1 31 31 GLY H H 31 8.584 8.584 8.228 0.356 19215 1316 1 5 . 1 1 32 32 ASN N N 32 119.486 119.486 120.110 -0.624 19215 1317 1 5 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.559 0.258 19215 1318 1 5 . 1 1 32 32 ASN C C 32 175.928 175.928 177.247 -1.319 19215 1319 1 5 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.423 -1.208 19215 1320 1 5 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.404 0.376 19215 1321 1 5 . 1 1 32 32 ASN H H 32 8.393 8.393 7.985 0.408 19215 1322 1 5 . 1 1 33 33 GLU N N 33 122.031 122.031 120.263 1.768 19215 1323 1 5 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.953 0.318 19215 1324 1 5 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.901 -1.475 19215 1325 1 5 . 1 1 33 33 GLU CB C 33 29.328 29.328 28.139 1.189 19215 1326 1 5 . 1 1 33 33 GLU H H 33 8.711 8.711 8.606 0.105 19215 1327 1 5 . 1 1 34 34 GLN N N 34 120.866 120.866 118.643 2.223 19215 1328 1 5 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.064 0.207 19215 1329 1 5 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.587 -2.361 19215 1330 1 5 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.717 0.122 19215 1331 1 5 . 1 1 34 34 GLN H H 34 8.438 8.438 7.667 0.771 19215 1332 1 5 . 1 1 35 35 GLU N N 35 122.323 122.323 119.016 3.307 19215 1333 1 5 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.162 0.157 19215 1334 1 5 . 1 1 35 35 GLU C C 35 177.176 177.176 178.822 -1.646 19215 1335 1 5 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.613 -1.617 19215 1336 1 5 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.460 0.085 19215 1337 1 5 . 1 1 35 35 GLU H H 35 8.424 8.424 8.090 0.334 19215 1338 1 5 . 1 1 36 36 LEU N N 36 122.904 122.904 117.758 5.146 19215 1339 1 5 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.123 0.196 19215 1340 1 5 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.405 -1.507 19215 1341 1 5 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.082 -0.586 19215 1342 1 5 . 1 1 36 36 LEU H H 36 8.342 8.342 7.436 0.906 19215 1343 1 5 . 1 1 38 38 GLU N N 38 121.931 121.931 120.823 1.108 19215 1344 1 5 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.157 0.239 19215 1345 1 5 . 1 1 38 38 GLU C C 38 177.318 177.318 178.657 -1.339 19215 1346 1 5 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.324 -2.958 19215 1347 1 5 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.930 -0.602 19215 1348 1 5 . 1 1 38 38 GLU H H 38 8.342 8.342 7.884 0.458 19215 1349 1 5 . 1 1 39 39 LEU N N 39 123.317 123.317 120.288 3.029 19215 1350 1 5 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.914 0.434 19215 1351 1 5 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.885 -1.052 19215 1352 1 5 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.800 -0.413 19215 1353 1 5 . 1 1 39 39 LEU H H 39 8.342 8.342 7.624 0.718 19215 1354 1 5 . 1 1 40 40 ASP N N 40 119.726 119.726 117.716 2.010 19215 1355 1 5 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.339 0.232 19215 1356 1 5 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.388 -1.799 19215 1357 1 5 . 1 1 40 40 ASP H H 40 8.530 8.530 7.985 0.545 19215 1358 1 5 . 1 1 41 41 LYS N N 41 121.200 121.200 120.318 0.882 19215 1359 1 5 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.123 0.041 19215 1360 1 5 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.136 -0.916 19215 1361 1 5 . 1 1 41 41 LYS H H 41 8.145 8.145 8.284 -0.139 19215 1362 1 5 . 1 1 42 42 TRP N N 42 120.615 120.615 119.006 1.609 19215 1363 1 5 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.347 0.250 19215 1364 1 5 . 1 1 42 42 TRP C C 42 177.641 177.641 178.321 -0.680 19215 1365 1 5 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.941 -2.380 19215 1366 1 5 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.444 0.395 19215 1367 1 5 . 1 1 42 42 TRP H H 42 8.025 8.025 7.934 0.091 19215 1368 1 5 . 1 1 43 43 ALA N N 43 122.056 122.056 120.526 1.530 19215 1369 1 5 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.049 0.091 19215 1370 1 5 . 1 1 43 43 ALA C C 43 172.776 172.776 179.730 -6.954 19215 1371 1 5 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.592 -0.728 19215 1372 1 5 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.999 -0.025 19215 1373 1 5 . 1 1 43 43 ALA H H 43 8.199 8.199 7.941 0.258 19215 1374 1 5 . 1 1 44 44 SER N N 44 113.378 113.378 114.332 -0.954 19215 1375 1 5 . 1 1 44 44 SER HA H 44 4.376 4.376 4.204 0.172 19215 1376 1 5 . 1 1 44 44 SER C C 44 176.767 176.767 176.340 0.427 19215 1377 1 5 . 1 1 44 44 SER CA C 44 60.980 60.980 61.720 -0.740 19215 1378 1 5 . 1 1 44 44 SER CB C 44 62.410 62.410 62.919 -0.509 19215 1379 1 5 . 1 1 44 44 SER H H 44 8.210 8.210 7.456 0.754 19215 1380 1 5 . 1 1 45 45 LEU N N 45 123.425 123.425 120.700 2.725 19215 1381 1 5 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.859 1.335 19215 1382 1 5 . 1 1 45 45 LEU CA C 45 57.606 57.606 56.976 0.630 19215 1383 1 5 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.388 -0.218 19215 1384 1 5 . 1 1 45 45 LEU H H 45 7.906 7.906 7.436 0.470 19215 1385 1 5 . 1 1 46 46 TRP N N 46 118.572 118.572 119.965 -1.393 19215 1386 1 5 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.229 0.426 19215 1387 1 5 . 1 1 46 46 TRP C C 46 177.838 177.838 177.151 0.687 19215 1388 1 5 . 1 1 46 46 TRP CA C 46 58.907 58.907 59.676 -0.769 19215 1389 1 5 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.714 -0.495 19215 1390 1 5 . 1 1 46 46 TRP H H 46 8.043 8.043 7.970 0.073 19215 1391 1 5 . 1 1 47 47 ASN N N 47 116.564 116.564 118.333 -1.769 19215 1392 1 5 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.532 0.094 19215 1393 1 5 . 1 1 47 47 ASN C C 47 176.904 176.904 177.994 -1.090 19215 1394 1 5 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.477 -1.432 19215 1395 1 5 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.637 -0.074 19215 1396 1 5 . 1 1 47 47 ASN H H 47 8.174 8.174 8.164 0.010 19215 1397 1 5 . 1 1 48 48 TRP N N 48 121.421 121.421 119.938 1.483 19215 1398 1 5 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.482 -0.115 19215 1399 1 5 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.923 0.593 19215 1400 1 5 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.984 0.909 19215 1401 1 5 . 1 1 48 48 TRP H H 48 8.145 8.145 7.194 0.951 19215 1402 1 5 . 1 1 49 49 PHE N N 49 118.299 118.299 120.652 -2.353 19215 1403 1 5 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.181 0.071 19215 1404 1 5 . 1 1 49 49 PHE C C 49 175.565 175.565 177.366 -1.801 19215 1405 1 5 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.818 -1.931 19215 1406 1 5 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.699 0.972 19215 1407 1 5 . 1 1 49 49 PHE H H 49 8.036 8.036 7.174 0.862 19215 1408 1 5 . 1 1 50 50 ASN N N 50 118.836 118.836 119.294 -0.458 19215 1409 1 5 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.262 0.364 19215 1410 1 5 . 1 1 50 50 ASN C C 50 176.439 176.439 176.500 -0.061 19215 1411 1 5 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.528 -2.313 19215 1412 1 5 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.588 -0.460 19215 1413 1 5 . 1 1 50 50 ASN H H 50 7.795 7.795 7.536 0.259 19215 1414 1 5 . 1 1 51 51 ILE N N 51 120.218 120.218 116.845 3.373 19215 1415 1 5 . 1 1 51 51 ILE HA H 51 3.791 3.791 2.392 1.399 19215 1416 1 5 . 1 1 51 51 ILE C C 51 177.202 177.202 176.301 0.901 19215 1417 1 5 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.040 -0.938 19215 1418 1 5 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.360 0.007 19215 1419 1 5 . 1 1 51 51 ILE H H 51 8.147 8.147 8.256 -0.109 19215 1420 1 5 . 1 1 52 52 THR N N 52 115.352 115.352 113.752 1.600 19215 1421 1 5 . 1 1 52 52 THR HA H 52 4.031 4.031 4.043 -0.012 19215 1422 1 5 . 1 1 52 52 THR C C 52 176.095 176.095 175.901 0.194 19215 1423 1 5 . 1 1 52 52 THR CA C 52 65.148 65.148 66.171 -1.024 19215 1424 1 5 . 1 1 52 52 THR CB C 52 68.277 68.277 68.608 -0.331 19215 1425 1 5 . 1 1 52 52 THR H H 52 8.009 8.009 7.267 0.742 19215 1426 1 5 . 1 1 53 53 ASN N N 53 119.874 119.874 120.740 -0.866 19215 1427 1 5 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.726 -0.090 19215 1428 1 5 . 1 1 53 53 ASN C C 53 176.530 176.530 177.148 -0.618 19215 1429 1 5 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.431 -1.974 19215 1430 1 5 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.848 -1.046 19215 1431 1 5 . 1 1 53 53 ASN H H 53 7.972 7.972 7.147 0.825 19215 1432 1 5 . 1 1 54 54 TRP N N 54 120.192 120.192 118.423 1.769 19215 1433 1 5 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.323 0.332 19215 1434 1 5 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.849 0.794 19215 1435 1 5 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.071 1.094 19215 1436 1 5 . 1 1 54 54 TRP H H 54 7.897 7.897 7.051 0.846 19215 1437 1 5 . 1 1 55 55 LEU N N 55 118.354 118.354 122.478 -4.124 19215 1438 1 5 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.850 0.238 19215 1439 1 5 . 1 1 55 55 LEU C C 55 177.975 177.975 178.677 -0.702 19215 1440 1 5 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.119 -1.649 19215 1441 1 5 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.736 -0.838 19215 1442 1 5 . 1 1 55 55 LEU H H 55 7.931 7.931 7.328 0.603 19215 1443 1 5 . 1 1 56 56 TRP N N 56 118.335 118.335 117.296 1.039 19215 1444 1 5 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.275 0.092 19215 1445 1 5 . 1 1 56 56 TRP C C 56 176.863 176.863 177.000 -0.137 19215 1446 1 5 . 1 1 56 56 TRP CA C 56 59.070 59.070 59.319 -0.249 19215 1447 1 5 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.499 0.340 19215 1448 1 5 . 1 1 56 56 TRP H H 56 7.665 7.665 7.408 0.257 19215 1449 1 5 . 1 1 57 57 TYR N N 57 116.808 116.808 119.975 -3.167 19215 1450 1 5 . 1 1 57 57 TYR HA H 57 4.172 4.172 3.738 0.434 19215 1451 1 5 . 1 1 57 57 TYR C C 57 176.085 176.085 177.843 -1.758 19215 1452 1 5 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.477 -0.612 19215 1453 1 5 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.498 0.065 19215 1454 1 5 . 1 1 57 57 TYR H H 57 7.578 7.578 6.412 1.166 19215 1455 1 5 . 1 1 58 58 ILE N N 58 115.526 115.526 117.073 -1.547 19215 1456 1 5 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.800 0.465 19215 1457 1 5 . 1 1 58 58 ILE C C 58 174.782 174.782 176.334 -1.552 19215 1458 1 5 . 1 1 58 58 ILE CA C 58 60.940 60.940 63.406 -2.466 19215 1459 1 5 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.618 -0.436 19215 1460 1 5 . 1 1 58 58 ILE H H 58 7.586 7.586 8.430 -0.844 19215 1461 1 6 . 1 1 2 2 TYR N N 2 120.470 120.470 120.034 0.436 19215 1462 1 6 . 1 1 2 2 TYR C C 2 176.535 176.535 176.265 0.270 19215 1463 1 6 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.493 -1.498 19215 1464 1 6 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.461 -2.148 19215 1465 1 6 . 1 1 2 2 TYR H H 2 7.951 7.951 8.235 -0.284 19215 1466 1 6 . 1 1 3 3 ILE N N 3 118.307 118.307 116.056 2.251 19215 1467 1 6 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.724 -2.756 19215 1468 1 6 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.561 1.513 19215 1469 1 6 . 1 1 3 3 ILE H H 3 8.381 8.381 8.180 0.201 19215 1470 1 6 . 1 1 5 5 GLU N N 5 118.785 118.785 120.695 -1.910 19215 1471 1 6 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.385 -0.130 19215 1472 1 6 . 1 1 5 5 GLU C C 5 176.267 176.267 175.848 0.419 19215 1473 1 6 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.264 -0.305 19215 1474 1 6 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.178 -0.144 19215 1475 1 6 . 1 1 5 5 GLU H H 5 7.710 7.710 8.638 -0.928 19215 1476 1 6 . 1 1 6 6 ALA N N 6 131.546 131.546 123.050 8.496 19215 1477 1 6 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.202 -0.627 19215 1478 1 6 . 1 1 6 6 ALA CA C 6 50.959 50.959 52.001 -1.042 19215 1479 1 6 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.440 -3.051 19215 1480 1 6 . 1 1 6 6 ALA H H 6 8.338 8.338 8.053 0.285 19215 1481 1 6 . 1 1 8 8 ARG N N 8 126.915 126.915 123.775 3.140 19215 1482 1 6 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.659 -0.589 19215 1483 1 6 . 1 1 8 8 ARG C C 8 175.110 175.110 175.145 -0.035 19215 1484 1 6 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.010 -1.310 19215 1485 1 6 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.349 -3.271 19215 1486 1 6 . 1 1 8 8 ARG H H 8 8.725 8.725 8.496 0.229 19215 1487 1 6 . 1 1 9 9 ASP N N 9 123.653 123.653 122.956 0.697 19215 1488 1 6 . 1 1 9 9 ASP C C 9 178.015 178.015 176.947 1.068 19215 1489 1 6 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.355 -1.609 19215 1490 1 6 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.821 -0.977 19215 1491 1 6 . 1 1 9 9 ASP H H 9 8.432 8.432 8.734 -0.302 19215 1492 1 6 . 1 1 10 10 GLY N N 10 111.908 111.908 109.310 2.598 19215 1493 1 6 . 1 1 10 10 GLY C C 10 174.822 174.822 174.657 0.165 19215 1494 1 6 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.746 -0.502 19215 1495 1 6 . 1 1 10 10 GLY H H 10 9.727 9.727 8.418 1.309 19215 1496 1 6 . 1 1 11 11 GLN N N 11 118.395 118.395 120.114 -1.719 19215 1497 1 6 . 1 1 11 11 GLN C C 11 174.711 174.711 174.797 -0.086 19215 1498 1 6 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.501 -2.103 19215 1499 1 6 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.032 0.274 19215 1500 1 6 . 1 1 11 11 GLN H H 11 8.416 8.416 7.822 0.594 19215 1501 1 6 . 1 1 12 12 ALA N N 12 121.020 121.020 125.246 -4.226 19215 1502 1 6 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.287 0.656 19215 1503 1 6 . 1 1 12 12 ALA C C 12 177.990 177.990 175.727 2.263 19215 1504 1 6 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.250 -0.739 19215 1505 1 6 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.534 -0.387 19215 1506 1 6 . 1 1 12 12 ALA H H 12 7.933 7.933 8.477 -0.544 19215 1507 1 6 . 1 1 13 13 TYR N N 13 121.755 121.755 118.178 3.577 19215 1508 1 6 . 1 1 13 13 TYR C C 13 175.519 175.519 173.731 1.788 19215 1509 1 6 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.084 3.006 19215 1510 1 6 . 1 1 13 13 TYR CB C 13 43.180 43.180 39.632 3.549 19215 1511 1 6 . 1 1 13 13 TYR H H 13 9.575 9.575 7.717 1.858 19215 1512 1 6 . 1 1 14 14 VAL N N 14 112.251 112.251 118.554 -6.303 19215 1513 1 6 . 1 1 14 14 VAL C C 14 174.074 174.074 174.884 -0.810 19215 1514 1 6 . 1 1 14 14 VAL CA C 14 59.090 59.090 60.066 -0.976 19215 1515 1 6 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.458 -2.708 19215 1516 1 6 . 1 1 14 14 VAL H H 14 9.659 9.659 8.454 1.205 19215 1517 1 6 . 1 1 15 15 ARG N N 15 124.657 124.657 123.181 1.476 19215 1518 1 6 . 1 1 15 15 ARG C C 15 174.948 174.948 175.438 -0.490 19215 1519 1 6 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.969 -2.449 19215 1520 1 6 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.489 2.043 19215 1521 1 6 . 1 1 15 15 ARG H H 15 8.503 8.503 8.618 -0.115 19215 1522 1 6 . 1 1 16 16 LYS N N 16 128.240 128.240 125.702 2.538 19215 1523 1 6 . 1 1 16 16 LYS C C 16 175.974 175.974 175.818 0.156 19215 1524 1 6 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.347 0.429 19215 1525 1 6 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.409 1.144 19215 1526 1 6 . 1 1 16 16 LYS H H 16 9.052 9.052 8.230 0.822 19215 1527 1 6 . 1 1 17 17 ASP N N 17 130.562 130.562 125.806 4.756 19215 1528 1 6 . 1 1 17 17 ASP C C 17 175.822 175.822 176.216 -0.394 19215 1529 1 6 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.752 1.695 19215 1530 1 6 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.410 0.782 19215 1531 1 6 . 1 1 17 17 ASP H H 17 10.886 10.886 9.074 1.812 19215 1532 1 6 . 1 1 18 18 GLY N N 18 104.754 104.754 105.653 -0.899 19215 1533 1 6 . 1 1 18 18 GLY C C 18 173.104 173.104 173.036 0.068 19215 1534 1 6 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.101 0.143 19215 1535 1 6 . 1 1 18 18 GLY H H 18 9.353 9.353 8.426 0.927 19215 1536 1 6 . 1 1 19 19 GLU N N 19 117.501 117.501 118.846 -1.345 19215 1537 1 6 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.070 0.578 19215 1538 1 6 . 1 1 19 19 GLU C C 19 176.166 176.166 175.578 0.588 19215 1539 1 6 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.908 -0.043 19215 1540 1 6 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.833 0.297 19215 1541 1 6 . 1 1 19 19 GLU H H 19 7.813 7.813 8.396 -0.583 19215 1542 1 6 . 1 1 20 20 TRP N N 20 122.768 122.768 122.597 0.171 19215 1543 1 6 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.000 -0.333 19215 1544 1 6 . 1 1 20 20 TRP C C 20 176.302 176.302 176.624 -0.322 19215 1545 1 6 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.841 0.037 19215 1546 1 6 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.523 0.022 19215 1547 1 6 . 1 1 20 20 TRP H H 20 9.094 9.094 7.941 1.153 19215 1548 1 6 . 1 1 21 21 VAL N N 21 123.071 123.071 124.111 -1.040 19215 1549 1 6 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.359 0.626 19215 1550 1 6 . 1 1 21 21 VAL C C 21 175.640 175.640 175.353 0.287 19215 1551 1 6 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.203 -0.666 19215 1552 1 6 . 1 1 21 21 VAL CB C 21 34.651 34.651 33.336 1.315 19215 1553 1 6 . 1 1 21 21 VAL H H 21 9.868 9.868 8.403 1.465 19215 1554 1 6 . 1 1 22 22 LEU N N 22 127.193 127.193 129.743 -2.550 19215 1555 1 6 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.504 -0.082 19215 1556 1 6 . 1 1 22 22 LEU C C 22 179.268 179.268 178.480 0.788 19215 1557 1 6 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.240 0.393 19215 1558 1 6 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.973 -0.694 19215 1559 1 6 . 1 1 22 22 LEU H H 22 8.812 8.812 8.836 -0.024 19215 1560 1 6 . 1 1 23 23 LEU N N 23 126.386 126.386 127.896 -1.510 19215 1561 1 6 . 1 1 23 23 LEU C C 23 178.844 178.844 178.850 -0.006 19215 1562 1 6 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.403 -1.000 19215 1563 1 6 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.013 -0.952 19215 1564 1 6 . 1 1 23 23 LEU H H 23 8.562 8.562 8.714 -0.152 19215 1565 1 6 . 1 1 24 24 SER N N 24 113.100 113.100 113.528 -0.428 19215 1566 1 6 . 1 1 24 24 SER HA H 24 4.621 4.621 4.071 0.550 19215 1567 1 6 . 1 1 24 24 SER C C 24 176.676 176.676 176.684 -0.008 19215 1568 1 6 . 1 1 24 24 SER CA C 24 60.960 60.960 61.451 -0.491 19215 1569 1 6 . 1 1 24 24 SER CB C 24 61.650 61.650 62.694 -1.044 19215 1570 1 6 . 1 1 24 24 SER H H 24 9.098 9.098 8.624 0.474 19215 1571 1 6 . 1 1 25 25 THR N N 25 116.715 116.715 115.148 1.567 19215 1572 1 6 . 1 1 25 25 THR HA H 25 3.915 3.915 4.217 -0.302 19215 1573 1 6 . 1 1 25 25 THR CA C 25 64.599 64.599 65.119 -0.520 19215 1574 1 6 . 1 1 25 25 THR CB C 25 68.657 68.657 68.790 -0.133 19215 1575 1 6 . 1 1 25 25 THR H H 25 7.238 7.238 8.187 -0.949 19215 1576 1 6 . 1 1 26 26 PHE N N 26 118.488 118.488 121.851 -3.363 19215 1577 1 6 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.596 -0.486 19215 1578 1 6 . 1 1 26 26 PHE C C 26 176.181 176.181 176.146 0.035 19215 1579 1 6 . 1 1 26 26 PHE CA C 26 58.627 58.627 58.865 -0.238 19215 1580 1 6 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.993 -0.200 19215 1581 1 6 . 1 1 26 26 PHE H H 26 7.945 7.945 8.497 -0.552 19215 1582 1 6 . 1 1 27 27 LEU N N 27 118.525 118.525 116.699 1.826 19215 1583 1 6 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.371 0.152 19215 1584 1 6 . 1 1 27 27 LEU C C 27 177.752 177.752 178.271 -0.519 19215 1585 1 6 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.577 -0.898 19215 1586 1 6 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.519 -1.186 19215 1587 1 6 . 1 1 27 27 LEU H H 27 7.290 7.290 7.743 -0.453 19215 1588 1 6 . 1 1 28 28 GLY N N 28 108.823 108.823 105.476 3.347 19215 1589 1 6 . 1 1 28 28 GLY C C 28 174.630 174.630 175.190 -0.560 19215 1590 1 6 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.793 -0.419 19215 1591 1 6 . 1 1 28 28 GLY H H 28 8.242 8.242 8.390 -0.148 19215 1592 1 6 . 1 1 29 29 SER N N 29 116.210 116.210 114.961 1.249 19215 1593 1 6 . 1 1 29 29 SER HA H 29 4.626 4.626 4.155 0.471 19215 1594 1 6 . 1 1 29 29 SER C C 29 175.312 175.312 173.375 1.937 19215 1595 1 6 . 1 1 29 29 SER CA C 29 57.992 57.992 60.329 -2.337 19215 1596 1 6 . 1 1 29 29 SER CB C 29 63.605 63.605 62.696 0.909 19215 1597 1 6 . 1 1 29 29 SER H H 29 8.310 8.310 8.018 0.292 19215 1598 1 6 . 1 1 30 30 SER N N 30 118.892 118.892 111.518 7.374 19215 1599 1 6 . 1 1 30 30 SER HA H 30 4.597 4.597 4.761 -0.164 19215 1600 1 6 . 1 1 30 30 SER C C 30 175.479 175.479 174.255 1.224 19215 1601 1 6 . 1 1 30 30 SER CA C 30 58.582 58.582 58.505 0.077 19215 1602 1 6 . 1 1 30 30 SER CB C 30 63.605 63.605 63.309 0.296 19215 1603 1 6 . 1 1 30 30 SER H H 30 8.593 8.593 7.957 0.635 19215 1604 1 6 . 1 1 31 31 GLY N N 31 111.354 111.354 108.545 2.809 19215 1605 1 6 . 1 1 31 31 GLY C C 31 174.428 174.428 173.419 1.009 19215 1606 1 6 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.478 -0.022 19215 1607 1 6 . 1 1 31 31 GLY H H 31 8.584 8.584 8.187 0.397 19215 1608 1 6 . 1 1 32 32 ASN N N 32 119.486 119.486 117.005 2.481 19215 1609 1 6 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.793 0.024 19215 1610 1 6 . 1 1 32 32 ASN C C 32 175.928 175.928 176.040 -0.112 19215 1611 1 6 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.466 -0.251 19215 1612 1 6 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.565 0.215 19215 1613 1 6 . 1 1 32 32 ASN H H 32 8.393 8.393 8.094 0.299 19215 1614 1 6 . 1 1 33 33 GLU N N 33 122.031 122.031 119.575 2.456 19215 1615 1 6 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.030 0.241 19215 1616 1 6 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.133 -1.707 19215 1617 1 6 . 1 1 33 33 GLU CB C 33 29.328 29.328 28.992 0.336 19215 1618 1 6 . 1 1 33 33 GLU H H 33 8.711 8.711 9.019 -0.308 19215 1619 1 6 . 1 1 34 34 GLN N N 34 120.866 120.866 118.405 2.461 19215 1620 1 6 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.065 0.206 19215 1621 1 6 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.028 -2.802 19215 1622 1 6 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.215 0.625 19215 1623 1 6 . 1 1 34 34 GLN H H 34 8.438 8.438 8.502 -0.064 19215 1624 1 6 . 1 1 35 35 GLU N N 35 122.323 122.323 119.578 2.745 19215 1625 1 6 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.067 0.252 19215 1626 1 6 . 1 1 35 35 GLU C C 35 177.176 177.176 178.942 -1.766 19215 1627 1 6 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.011 -2.015 19215 1628 1 6 . 1 1 35 35 GLU CB C 35 29.545 29.545 28.835 0.710 19215 1629 1 6 . 1 1 35 35 GLU H H 35 8.424 8.424 7.784 0.640 19215 1630 1 6 . 1 1 36 36 LEU N N 36 122.904 122.904 118.197 4.707 19215 1631 1 6 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.048 0.271 19215 1632 1 6 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.501 -1.603 19215 1633 1 6 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.097 -0.601 19215 1634 1 6 . 1 1 36 36 LEU H H 36 8.342 8.342 7.333 1.009 19215 1635 1 6 . 1 1 38 38 GLU N N 38 121.931 121.931 121.535 0.396 19215 1636 1 6 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.082 0.314 19215 1637 1 6 . 1 1 38 38 GLU C C 38 177.318 177.318 178.007 -0.689 19215 1638 1 6 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.651 -3.285 19215 1639 1 6 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.434 -0.106 19215 1640 1 6 . 1 1 38 38 GLU H H 38 8.342 8.342 8.122 0.220 19215 1641 1 6 . 1 1 39 39 LEU N N 39 123.317 123.317 119.441 3.876 19215 1642 1 6 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.060 1.288 19215 1643 1 6 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.816 -0.983 19215 1644 1 6 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.538 -0.151 19215 1645 1 6 . 1 1 39 39 LEU H H 39 8.342 8.342 7.446 0.896 19215 1646 1 6 . 1 1 40 40 ASP N N 40 119.726 119.726 118.027 1.699 19215 1647 1 6 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.214 0.357 19215 1648 1 6 . 1 1 40 40 ASP CA C 40 55.589 55.589 58.601 -3.012 19215 1649 1 6 . 1 1 40 40 ASP H H 40 8.530 8.530 8.609 -0.079 19215 1650 1 6 . 1 1 41 41 LYS N N 41 121.200 121.200 120.055 1.145 19215 1651 1 6 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.114 0.050 19215 1652 1 6 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.928 -0.708 19215 1653 1 6 . 1 1 41 41 LYS H H 41 8.145 8.145 7.294 0.851 19215 1654 1 6 . 1 1 42 42 TRP N N 42 120.615 120.615 119.684 0.931 19215 1655 1 6 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.382 0.215 19215 1656 1 6 . 1 1 42 42 TRP C C 42 177.641 177.641 178.533 -0.892 19215 1657 1 6 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.160 0.401 19215 1658 1 6 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.013 0.826 19215 1659 1 6 . 1 1 42 42 TRP H H 42 8.025 8.025 8.226 -0.201 19215 1660 1 6 . 1 1 43 43 ALA N N 43 122.056 122.056 121.336 0.720 19215 1661 1 6 . 1 1 43 43 ALA HA H 43 4.140 4.140 3.942 0.198 19215 1662 1 6 . 1 1 43 43 ALA C C 43 172.776 172.776 179.728 -6.952 19215 1663 1 6 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.189 -0.325 19215 1664 1 6 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.758 0.216 19215 1665 1 6 . 1 1 43 43 ALA H H 43 8.199 8.199 8.040 0.159 19215 1666 1 6 . 1 1 44 44 SER N N 44 113.378 113.378 114.542 -1.164 19215 1667 1 6 . 1 1 44 44 SER HA H 44 4.376 4.376 4.076 0.300 19215 1668 1 6 . 1 1 44 44 SER C C 44 176.767 176.767 176.065 0.702 19215 1669 1 6 . 1 1 44 44 SER CA C 44 60.980 60.980 61.834 -0.855 19215 1670 1 6 . 1 1 44 44 SER CB C 44 62.410 62.410 63.004 -0.594 19215 1671 1 6 . 1 1 44 44 SER H H 44 8.210 8.210 7.409 0.801 19215 1672 1 6 . 1 1 45 45 LEU N N 45 123.425 123.425 121.446 1.979 19215 1673 1 6 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.627 1.567 19215 1674 1 6 . 1 1 45 45 LEU CA C 45 57.606 57.606 56.981 0.625 19215 1675 1 6 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.720 -0.550 19215 1676 1 6 . 1 1 45 45 LEU H H 45 7.906 7.906 7.110 0.796 19215 1677 1 6 . 1 1 46 46 TRP N N 46 118.572 118.572 119.786 -1.214 19215 1678 1 6 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.058 0.597 19215 1679 1 6 . 1 1 46 46 TRP C C 46 177.838 177.838 178.003 -0.165 19215 1680 1 6 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.329 -1.422 19215 1681 1 6 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.612 -0.393 19215 1682 1 6 . 1 1 46 46 TRP H H 46 8.043 8.043 7.745 0.298 19215 1683 1 6 . 1 1 47 47 ASN N N 47 116.564 116.564 118.796 -2.232 19215 1684 1 6 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.604 0.022 19215 1685 1 6 . 1 1 47 47 ASN C C 47 176.904 176.904 177.523 -0.619 19215 1686 1 6 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.578 -1.533 19215 1687 1 6 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.371 0.192 19215 1688 1 6 . 1 1 47 47 ASN H H 47 8.174 8.174 8.348 -0.174 19215 1689 1 6 . 1 1 48 48 TRP N N 48 121.421 121.421 118.766 2.655 19215 1690 1 6 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.527 -0.160 19215 1691 1 6 . 1 1 48 48 TRP CA C 48 59.517 59.517 57.474 2.043 19215 1692 1 6 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.930 0.963 19215 1693 1 6 . 1 1 48 48 TRP H H 48 8.145 8.145 7.382 0.763 19215 1694 1 6 . 1 1 49 49 PHE N N 49 118.299 118.299 121.179 -2.880 19215 1695 1 6 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.305 -0.053 19215 1696 1 6 . 1 1 49 49 PHE C C 49 175.565 175.565 176.370 -0.805 19215 1697 1 6 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.518 -0.631 19215 1698 1 6 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.431 0.240 19215 1699 1 6 . 1 1 49 49 PHE H H 49 8.036 8.036 7.418 0.618 19215 1700 1 6 . 1 1 50 50 ASN N N 50 118.836 118.836 118.142 0.694 19215 1701 1 6 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.593 0.033 19215 1702 1 6 . 1 1 50 50 ASN C C 50 176.439 176.439 176.791 -0.352 19215 1703 1 6 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.397 -1.182 19215 1704 1 6 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.648 0.480 19215 1705 1 6 . 1 1 50 50 ASN H H 50 7.795 7.795 7.794 0.001 19215 1706 1 6 . 1 1 51 51 ILE N N 51 120.218 120.218 116.065 4.153 19215 1707 1 6 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.309 0.482 19215 1708 1 6 . 1 1 51 51 ILE C C 51 177.202 177.202 176.998 0.204 19215 1709 1 6 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.754 -1.652 19215 1710 1 6 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.322 0.045 19215 1711 1 6 . 1 1 51 51 ILE H H 51 8.147 8.147 7.739 0.408 19215 1712 1 6 . 1 1 52 52 THR N N 52 115.352 115.352 114.646 0.706 19215 1713 1 6 . 1 1 52 52 THR HA H 52 4.031 4.031 4.012 0.019 19215 1714 1 6 . 1 1 52 52 THR C C 52 176.095 176.095 176.000 0.095 19215 1715 1 6 . 1 1 52 52 THR CA C 52 65.148 65.148 65.755 -0.607 19215 1716 1 6 . 1 1 52 52 THR CB C 52 68.277 68.277 68.054 0.223 19215 1717 1 6 . 1 1 52 52 THR H H 52 8.009 8.009 7.317 0.692 19215 1718 1 6 . 1 1 53 53 ASN N N 53 119.874 119.874 120.535 -0.661 19215 1719 1 6 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.192 0.444 19215 1720 1 6 . 1 1 53 53 ASN C C 53 176.530 176.530 177.740 -1.210 19215 1721 1 6 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.445 -0.988 19215 1722 1 6 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.495 -0.693 19215 1723 1 6 . 1 1 53 53 ASN H H 53 7.972 7.972 7.210 0.762 19215 1724 1 6 . 1 1 54 54 TRP N N 54 120.192 120.192 119.762 0.430 19215 1725 1 6 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.813 -0.158 19215 1726 1 6 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.768 0.875 19215 1727 1 6 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.507 0.658 19215 1728 1 6 . 1 1 54 54 TRP H H 54 7.897 7.897 8.039 -0.142 19215 1729 1 6 . 1 1 55 55 LEU N N 55 118.354 118.354 121.062 -2.708 19215 1730 1 6 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.972 0.116 19215 1731 1 6 . 1 1 55 55 LEU C C 55 177.975 177.975 178.571 -0.596 19215 1732 1 6 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.218 -1.748 19215 1733 1 6 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.611 -0.713 19215 1734 1 6 . 1 1 55 55 LEU H H 55 7.931 7.931 7.830 0.101 19215 1735 1 6 . 1 1 56 56 TRP N N 56 118.335 118.335 118.122 0.213 19215 1736 1 6 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.439 -0.072 19215 1737 1 6 . 1 1 56 56 TRP C C 56 176.863 176.863 177.696 -0.833 19215 1738 1 6 . 1 1 56 56 TRP CA C 56 59.070 59.070 57.251 1.819 19215 1739 1 6 . 1 1 56 56 TRP CB C 56 28.839 28.839 27.666 1.173 19215 1740 1 6 . 1 1 56 56 TRP H H 56 7.665 7.665 7.851 -0.186 19215 1741 1 6 . 1 1 57 57 TYR N N 57 116.808 116.808 120.634 -3.826 19215 1742 1 6 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.194 -0.022 19215 1743 1 6 . 1 1 57 57 TYR C C 57 176.085 176.085 177.017 -0.932 19215 1744 1 6 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.242 -1.377 19215 1745 1 6 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.147 -0.584 19215 1746 1 6 . 1 1 57 57 TYR H H 57 7.578 7.578 8.352 -0.774 19215 1747 1 6 . 1 1 58 58 ILE N N 58 115.526 115.526 116.776 -1.250 19215 1748 1 6 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.123 0.142 19215 1749 1 6 . 1 1 58 58 ILE C C 58 174.782 174.782 176.279 -1.497 19215 1750 1 6 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.571 -1.631 19215 1751 1 6 . 1 1 58 58 ILE CB C 58 38.182 38.182 39.353 -1.171 19215 1752 1 6 . 1 1 58 58 ILE H H 58 7.586 7.586 8.069 -0.483 19215 1753 1 7 . 1 1 2 2 TYR N N 2 120.470 120.470 120.143 0.327 19215 1754 1 7 . 1 1 2 2 TYR C C 2 176.535 176.535 175.873 0.662 19215 1755 1 7 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.539 -1.544 19215 1756 1 7 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.696 -2.383 19215 1757 1 7 . 1 1 2 2 TYR H H 2 7.951 7.951 7.980 -0.029 19215 1758 1 7 . 1 1 3 3 ILE N N 3 118.307 118.307 115.733 2.574 19215 1759 1 7 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.866 -2.898 19215 1760 1 7 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.489 1.585 19215 1761 1 7 . 1 1 3 3 ILE H H 3 8.381 8.381 8.062 0.319 19215 1762 1 7 . 1 1 5 5 GLU N N 5 118.785 118.785 120.762 -1.977 19215 1763 1 7 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.374 -0.119 19215 1764 1 7 . 1 1 5 5 GLU C C 5 176.267 176.267 175.940 0.327 19215 1765 1 7 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.251 -0.292 19215 1766 1 7 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.159 -0.125 19215 1767 1 7 . 1 1 5 5 GLU H H 5 7.710 7.710 8.656 -0.946 19215 1768 1 7 . 1 1 6 6 ALA N N 6 131.546 131.546 122.898 8.648 19215 1769 1 7 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.168 -0.593 19215 1770 1 7 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.978 -1.019 19215 1771 1 7 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.296 -2.907 19215 1772 1 7 . 1 1 6 6 ALA H H 6 8.338 8.338 8.035 0.303 19215 1773 1 7 . 1 1 8 8 ARG N N 8 126.915 126.915 124.131 2.784 19215 1774 1 7 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.693 -0.623 19215 1775 1 7 . 1 1 8 8 ARG C C 8 175.110 175.110 175.181 -0.071 19215 1776 1 7 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.478 -0.779 19215 1777 1 7 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.414 -2.336 19215 1778 1 7 . 1 1 8 8 ARG H H 8 8.725 8.725 8.479 0.246 19215 1779 1 7 . 1 1 9 9 ASP N N 9 123.653 123.653 123.198 0.455 19215 1780 1 7 . 1 1 9 9 ASP C C 9 178.015 178.015 177.151 0.864 19215 1781 1 7 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.913 -2.166 19215 1782 1 7 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.474 -0.630 19215 1783 1 7 . 1 1 9 9 ASP H H 9 8.432 8.432 8.632 -0.200 19215 1784 1 7 . 1 1 10 10 GLY N N 10 111.908 111.908 108.402 3.506 19215 1785 1 7 . 1 1 10 10 GLY C C 10 174.822 174.822 174.876 -0.054 19215 1786 1 7 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.131 0.113 19215 1787 1 7 . 1 1 10 10 GLY H H 10 9.727 9.727 8.368 1.359 19215 1788 1 7 . 1 1 11 11 GLN N N 11 118.395 118.395 119.432 -1.037 19215 1789 1 7 . 1 1 11 11 GLN C C 11 174.711 174.711 174.318 0.393 19215 1790 1 7 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.758 -2.360 19215 1791 1 7 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.607 0.699 19215 1792 1 7 . 1 1 11 11 GLN H H 11 8.416 8.416 7.866 0.550 19215 1793 1 7 . 1 1 12 12 ALA N N 12 121.020 121.020 127.944 -6.924 19215 1794 1 7 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.379 0.564 19215 1795 1 7 . 1 1 12 12 ALA C C 12 177.990 177.990 175.445 2.545 19215 1796 1 7 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.926 -0.415 19215 1797 1 7 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.785 -0.638 19215 1798 1 7 . 1 1 12 12 ALA H H 12 7.933 7.933 8.493 -0.560 19215 1799 1 7 . 1 1 13 13 TYR N N 13 121.755 121.755 116.821 4.934 19215 1800 1 7 . 1 1 13 13 TYR C C 13 175.519 175.519 173.513 2.006 19215 1801 1 7 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.309 3.781 19215 1802 1 7 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.446 2.734 19215 1803 1 7 . 1 1 13 13 TYR H H 13 9.575 9.575 7.502 2.073 19215 1804 1 7 . 1 1 14 14 VAL N N 14 112.251 112.251 119.875 -7.624 19215 1805 1 7 . 1 1 14 14 VAL C C 14 174.074 174.074 174.830 -0.756 19215 1806 1 7 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.242 -0.152 19215 1807 1 7 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.369 -2.619 19215 1808 1 7 . 1 1 14 14 VAL H H 14 9.659 9.659 9.052 0.607 19215 1809 1 7 . 1 1 15 15 ARG N N 15 124.657 124.657 122.462 2.195 19215 1810 1 7 . 1 1 15 15 ARG C C 15 174.948 174.948 175.724 -0.776 19215 1811 1 7 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.549 -2.029 19215 1812 1 7 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.711 1.822 19215 1813 1 7 . 1 1 15 15 ARG H H 15 8.503 8.503 8.618 -0.115 19215 1814 1 7 . 1 1 16 16 LYS N N 16 128.240 128.240 126.231 2.009 19215 1815 1 7 . 1 1 16 16 LYS C C 16 175.974 175.974 175.219 0.755 19215 1816 1 7 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.685 0.091 19215 1817 1 7 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.799 1.754 19215 1818 1 7 . 1 1 16 16 LYS H H 16 9.052 9.052 8.390 0.662 19215 1819 1 7 . 1 1 17 17 ASP N N 17 130.562 130.562 125.149 5.413 19215 1820 1 7 . 1 1 17 17 ASP C C 17 175.822 175.822 175.515 0.307 19215 1821 1 7 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.407 1.040 19215 1822 1 7 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.950 0.242 19215 1823 1 7 . 1 1 17 17 ASP H H 17 10.886 10.886 8.938 1.948 19215 1824 1 7 . 1 1 18 18 GLY N N 18 104.754 104.754 104.453 0.301 19215 1825 1 7 . 1 1 18 18 GLY C C 18 173.104 173.104 173.314 -0.210 19215 1826 1 7 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.109 0.135 19215 1827 1 7 . 1 1 18 18 GLY H H 18 9.353 9.353 8.519 0.834 19215 1828 1 7 . 1 1 19 19 GLU N N 19 117.501 117.501 117.760 -0.259 19215 1829 1 7 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.713 0.935 19215 1830 1 7 . 1 1 19 19 GLU C C 19 176.166 176.166 174.885 1.281 19215 1831 1 7 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.845 0.020 19215 1832 1 7 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.591 -0.461 19215 1833 1 7 . 1 1 19 19 GLU H H 19 7.813 7.813 7.974 -0.161 19215 1834 1 7 . 1 1 20 20 TRP N N 20 122.768 122.768 123.150 -0.382 19215 1835 1 7 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.283 -0.616 19215 1836 1 7 . 1 1 20 20 TRP C C 20 176.302 176.302 176.179 0.123 19215 1837 1 7 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.186 -0.308 19215 1838 1 7 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.964 -0.419 19215 1839 1 7 . 1 1 20 20 TRP H H 20 9.094 9.094 7.931 1.163 19215 1840 1 7 . 1 1 21 21 VAL N N 21 123.071 123.071 124.449 -1.378 19215 1841 1 7 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.430 0.555 19215 1842 1 7 . 1 1 21 21 VAL C C 21 175.640 175.640 175.272 0.368 19215 1843 1 7 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.917 -0.380 19215 1844 1 7 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.903 -0.252 19215 1845 1 7 . 1 1 21 21 VAL H H 21 9.868 9.868 8.512 1.355 19215 1846 1 7 . 1 1 22 22 LEU N N 22 127.193 127.193 128.767 -1.574 19215 1847 1 7 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.597 -0.175 19215 1848 1 7 . 1 1 22 22 LEU C C 22 179.268 179.268 178.674 0.594 19215 1849 1 7 . 1 1 22 22 LEU CA C 22 55.634 55.634 54.977 0.657 19215 1850 1 7 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.991 -0.712 19215 1851 1 7 . 1 1 22 22 LEU H H 22 8.812 8.812 8.907 -0.095 19215 1852 1 7 . 1 1 23 23 LEU N N 23 126.386 126.386 124.347 2.039 19215 1853 1 7 . 1 1 23 23 LEU C C 23 178.844 178.844 177.826 1.018 19215 1854 1 7 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.333 0.070 19215 1855 1 7 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.934 -0.873 19215 1856 1 7 . 1 1 23 23 LEU H H 23 8.562 8.562 8.264 0.298 19215 1857 1 7 . 1 1 24 24 SER N N 24 113.100 113.100 115.244 -2.144 19215 1858 1 7 . 1 1 24 24 SER HA H 24 4.621 4.621 4.158 0.463 19215 1859 1 7 . 1 1 24 24 SER C C 24 176.676 176.676 176.584 0.092 19215 1860 1 7 . 1 1 24 24 SER CA C 24 60.960 60.960 61.735 -0.775 19215 1861 1 7 . 1 1 24 24 SER CB C 24 61.650 61.650 62.698 -1.048 19215 1862 1 7 . 1 1 24 24 SER H H 24 9.098 9.098 8.566 0.532 19215 1863 1 7 . 1 1 25 25 THR N N 25 116.715 116.715 115.489 1.226 19215 1864 1 7 . 1 1 25 25 THR HA H 25 3.915 3.915 4.187 -0.272 19215 1865 1 7 . 1 1 25 25 THR CA C 25 64.599 64.599 65.365 -0.766 19215 1866 1 7 . 1 1 25 25 THR CB C 25 68.657 68.657 68.942 -0.285 19215 1867 1 7 . 1 1 25 25 THR H H 25 7.238 7.238 7.972 -0.734 19215 1868 1 7 . 1 1 26 26 PHE N N 26 118.488 118.488 120.575 -2.087 19215 1869 1 7 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.602 -0.492 19215 1870 1 7 . 1 1 26 26 PHE C C 26 176.181 176.181 176.493 -0.312 19215 1871 1 7 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.185 -0.558 19215 1872 1 7 . 1 1 26 26 PHE CB C 26 39.793 39.793 40.531 -0.737 19215 1873 1 7 . 1 1 26 26 PHE H H 26 7.945 7.945 7.748 0.197 19215 1874 1 7 . 1 1 27 27 LEU N N 27 118.525 118.525 120.258 -1.733 19215 1875 1 7 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.320 0.203 19215 1876 1 7 . 1 1 27 27 LEU C C 27 177.752 177.752 177.526 0.226 19215 1877 1 7 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.405 -1.726 19215 1878 1 7 . 1 1 27 27 LEU CB C 27 41.333 41.333 43.286 -1.953 19215 1879 1 7 . 1 1 27 27 LEU H H 27 7.290 7.290 8.065 -0.775 19215 1880 1 7 . 1 1 28 28 GLY N N 28 108.823 108.823 105.502 3.321 19215 1881 1 7 . 1 1 28 28 GLY C C 28 174.630 174.630 173.801 0.829 19215 1882 1 7 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.853 0.521 19215 1883 1 7 . 1 1 28 28 GLY H H 28 8.242 8.242 8.016 0.226 19215 1884 1 7 . 1 1 29 29 SER N N 29 116.210 116.210 116.044 0.166 19215 1885 1 7 . 1 1 29 29 SER HA H 29 4.626 4.626 4.401 0.225 19215 1886 1 7 . 1 1 29 29 SER C C 29 175.312 175.312 174.478 0.834 19215 1887 1 7 . 1 1 29 29 SER CA C 29 57.992 57.992 58.834 -0.842 19215 1888 1 7 . 1 1 29 29 SER CB C 29 63.605 63.605 63.697 -0.092 19215 1889 1 7 . 1 1 29 29 SER H H 29 8.310 8.310 7.525 0.785 19215 1890 1 7 . 1 1 30 30 SER N N 30 118.892 118.892 119.179 -0.287 19215 1891 1 7 . 1 1 30 30 SER HA H 30 4.597 4.597 4.457 0.140 19215 1892 1 7 . 1 1 30 30 SER C C 30 175.479 175.479 174.587 0.892 19215 1893 1 7 . 1 1 30 30 SER CA C 30 58.582 58.582 58.713 -0.131 19215 1894 1 7 . 1 1 30 30 SER CB C 30 63.605 63.605 62.488 1.117 19215 1895 1 7 . 1 1 30 30 SER H H 30 8.593 8.593 8.459 0.134 19215 1896 1 7 . 1 1 31 31 GLY N N 31 111.354 111.354 107.548 3.806 19215 1897 1 7 . 1 1 31 31 GLY C C 31 174.428 174.428 172.889 1.539 19215 1898 1 7 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.885 -0.428 19215 1899 1 7 . 1 1 31 31 GLY H H 31 8.584 8.584 7.947 0.637 19215 1900 1 7 . 1 1 32 32 ASN N N 32 119.486 119.486 116.990 2.496 19215 1901 1 7 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.734 0.083 19215 1902 1 7 . 1 1 32 32 ASN C C 32 175.928 175.928 175.580 0.348 19215 1903 1 7 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.068 -0.853 19215 1904 1 7 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.881 -0.101 19215 1905 1 7 . 1 1 32 32 ASN H H 32 8.393 8.393 8.104 0.289 19215 1906 1 7 . 1 1 33 33 GLU N N 33 122.031 122.031 120.839 1.192 19215 1907 1 7 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.967 0.304 19215 1908 1 7 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.215 -1.789 19215 1909 1 7 . 1 1 33 33 GLU CB C 33 29.328 29.328 28.696 0.632 19215 1910 1 7 . 1 1 33 33 GLU H H 33 8.711 8.711 8.777 -0.066 19215 1911 1 7 . 1 1 34 34 GLN N N 34 120.866 120.866 119.492 1.374 19215 1912 1 7 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.024 0.247 19215 1913 1 7 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.791 -2.565 19215 1914 1 7 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.375 0.464 19215 1915 1 7 . 1 1 34 34 GLN H H 34 8.438 8.438 8.284 0.154 19215 1916 1 7 . 1 1 35 35 GLU N N 35 122.323 122.323 120.011 2.312 19215 1917 1 7 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.082 0.237 19215 1918 1 7 . 1 1 35 35 GLU C C 35 177.176 177.176 179.016 -1.840 19215 1919 1 7 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.081 -2.086 19215 1920 1 7 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.001 0.544 19215 1921 1 7 . 1 1 35 35 GLU H H 35 8.424 8.424 7.777 0.647 19215 1922 1 7 . 1 1 36 36 LEU N N 36 122.904 122.904 118.439 4.465 19215 1923 1 7 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.026 0.293 19215 1924 1 7 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.063 -1.165 19215 1925 1 7 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.881 -0.385 19215 1926 1 7 . 1 1 36 36 LEU H H 36 8.342 8.342 7.394 0.948 19215 1927 1 7 . 1 1 38 38 GLU N N 38 121.931 121.931 120.485 1.446 19215 1928 1 7 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.042 0.354 19215 1929 1 7 . 1 1 38 38 GLU C C 38 177.318 177.318 178.210 -0.892 19215 1930 1 7 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.355 -2.989 19215 1931 1 7 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.433 -0.105 19215 1932 1 7 . 1 1 38 38 GLU H H 38 8.342 8.342 7.935 0.407 19215 1933 1 7 . 1 1 39 39 LEU N N 39 123.317 123.317 119.636 3.681 19215 1934 1 7 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.747 1.601 19215 1935 1 7 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.713 -0.880 19215 1936 1 7 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.273 0.114 19215 1937 1 7 . 1 1 39 39 LEU H H 39 8.342 8.342 7.065 1.277 19215 1938 1 7 . 1 1 40 40 ASP N N 40 119.726 119.726 118.174 1.552 19215 1939 1 7 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.242 0.329 19215 1940 1 7 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.824 -2.235 19215 1941 1 7 . 1 1 40 40 ASP H H 40 8.530 8.530 8.588 -0.058 19215 1942 1 7 . 1 1 41 41 LYS N N 41 121.200 121.200 120.248 0.952 19215 1943 1 7 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.076 0.088 19215 1944 1 7 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.091 -0.871 19215 1945 1 7 . 1 1 41 41 LYS H H 41 8.145 8.145 7.216 0.929 19215 1946 1 7 . 1 1 42 42 TRP N N 42 120.615 120.615 119.667 0.948 19215 1947 1 7 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.393 0.204 19215 1948 1 7 . 1 1 42 42 TRP C C 42 177.641 177.641 178.619 -0.978 19215 1949 1 7 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.168 0.393 19215 1950 1 7 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.169 0.670 19215 1951 1 7 . 1 1 42 42 TRP H H 42 8.025 8.025 8.254 -0.229 19215 1952 1 7 . 1 1 43 43 ALA N N 43 122.056 122.056 121.113 0.943 19215 1953 1 7 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.111 0.029 19215 1954 1 7 . 1 1 43 43 ALA C C 43 172.776 172.776 179.732 -6.956 19215 1955 1 7 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.775 -0.911 19215 1956 1 7 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.705 0.269 19215 1957 1 7 . 1 1 43 43 ALA H H 43 8.199 8.199 8.027 0.172 19215 1958 1 7 . 1 1 44 44 SER N N 44 113.378 113.378 116.008 -2.630 19215 1959 1 7 . 1 1 44 44 SER HA H 44 4.376 4.376 4.197 0.179 19215 1960 1 7 . 1 1 44 44 SER C C 44 176.767 176.767 176.718 0.049 19215 1961 1 7 . 1 1 44 44 SER CA C 44 60.980 60.980 61.709 -0.729 19215 1962 1 7 . 1 1 44 44 SER CB C 44 62.410 62.410 62.814 -0.404 19215 1963 1 7 . 1 1 44 44 SER H H 44 8.210 8.210 7.501 0.709 19215 1964 1 7 . 1 1 45 45 LEU N N 45 123.425 123.425 122.255 1.170 19215 1965 1 7 . 1 1 45 45 LEU HA H 45 4.194 4.194 3.879 0.315 19215 1966 1 7 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.670 -0.064 19215 1967 1 7 . 1 1 45 45 LEU CB C 45 41.170 41.170 42.263 -1.093 19215 1968 1 7 . 1 1 45 45 LEU H H 45 7.906 7.906 7.567 0.339 19215 1969 1 7 . 1 1 46 46 TRP N N 46 118.572 118.572 120.255 -1.683 19215 1970 1 7 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.531 0.124 19215 1971 1 7 . 1 1 46 46 TRP C C 46 177.838 177.838 178.208 -0.370 19215 1972 1 7 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.835 -1.928 19215 1973 1 7 . 1 1 46 46 TRP CB C 46 29.219 29.219 30.058 -0.840 19215 1974 1 7 . 1 1 46 46 TRP H H 46 8.043 8.043 8.835 -0.792 19215 1975 1 7 . 1 1 47 47 ASN N N 47 116.564 116.564 118.018 -1.454 19215 1976 1 7 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.717 -0.091 19215 1977 1 7 . 1 1 47 47 ASN C C 47 176.904 176.904 177.657 -0.753 19215 1978 1 7 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.114 -1.069 19215 1979 1 7 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.706 -0.143 19215 1980 1 7 . 1 1 47 47 ASN H H 47 8.174 8.174 9.003 -0.829 19215 1981 1 7 . 1 1 48 48 TRP N N 48 121.421 121.421 120.180 1.241 19215 1982 1 7 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.707 -0.340 19215 1983 1 7 . 1 1 48 48 TRP CA C 48 59.517 59.517 56.242 3.275 19215 1984 1 7 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.980 0.913 19215 1985 1 7 . 1 1 48 48 TRP H H 48 8.145 8.145 8.102 0.043 19215 1986 1 7 . 1 1 49 49 PHE N N 49 118.299 118.299 121.294 -2.995 19215 1987 1 7 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.943 0.309 19215 1988 1 7 . 1 1 49 49 PHE C C 49 175.565 175.565 175.522 0.043 19215 1989 1 7 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.406 0.481 19215 1990 1 7 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.726 -0.055 19215 1991 1 7 . 1 1 49 49 PHE H H 49 8.036 8.036 7.499 0.537 19215 1992 1 7 . 1 1 50 50 ASN N N 50 118.836 118.836 118.877 -0.041 19215 1993 1 7 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.361 0.265 19215 1994 1 7 . 1 1 50 50 ASN C C 50 176.439 176.439 176.270 0.169 19215 1995 1 7 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.316 -1.101 19215 1996 1 7 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.416 0.712 19215 1997 1 7 . 1 1 50 50 ASN H H 50 7.795 7.795 7.762 0.033 19215 1998 1 7 . 1 1 51 51 ILE N N 51 120.218 120.218 114.965 5.253 19215 1999 1 7 . 1 1 51 51 ILE HA H 51 3.791 3.791 2.317 1.474 19215 2000 1 7 . 1 1 51 51 ILE C C 51 177.202 177.202 176.074 1.128 19215 2001 1 7 . 1 1 51 51 ILE CA C 51 63.102 63.102 63.445 -0.343 19215 2002 1 7 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.889 0.478 19215 2003 1 7 . 1 1 51 51 ILE H H 51 8.147 8.147 7.155 0.992 19215 2004 1 7 . 1 1 52 52 THR N N 52 115.352 115.352 113.190 2.162 19215 2005 1 7 . 1 1 52 52 THR HA H 52 4.031 4.031 3.894 0.137 19215 2006 1 7 . 1 1 52 52 THR C C 52 176.095 176.095 175.317 0.778 19215 2007 1 7 . 1 1 52 52 THR CA C 52 65.148 65.148 64.840 0.308 19215 2008 1 7 . 1 1 52 52 THR CB C 52 68.277 68.277 68.189 0.088 19215 2009 1 7 . 1 1 52 52 THR H H 52 8.009 8.009 6.863 1.146 19215 2010 1 7 . 1 1 53 53 ASN N N 53 119.874 119.874 120.291 -0.417 19215 2011 1 7 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.284 0.352 19215 2012 1 7 . 1 1 53 53 ASN C C 53 176.530 176.530 177.458 -0.928 19215 2013 1 7 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.710 -1.253 19215 2014 1 7 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.508 -0.706 19215 2015 1 7 . 1 1 53 53 ASN H H 53 7.972 7.972 7.552 0.420 19215 2016 1 7 . 1 1 54 54 TRP N N 54 120.192 120.192 118.119 2.073 19215 2017 1 7 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.880 -0.225 19215 2018 1 7 . 1 1 54 54 TRP CA C 54 58.643 58.643 56.782 1.861 19215 2019 1 7 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.384 0.781 19215 2020 1 7 . 1 1 54 54 TRP H H 54 7.897 7.897 7.119 0.778 19215 2021 1 7 . 1 1 55 55 LEU N N 55 118.354 118.354 121.761 -3.407 19215 2022 1 7 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.978 0.110 19215 2023 1 7 . 1 1 55 55 LEU C C 55 177.975 177.975 178.489 -0.514 19215 2024 1 7 . 1 1 55 55 LEU CA C 55 56.470 56.470 59.184 -2.714 19215 2025 1 7 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.525 -0.627 19215 2026 1 7 . 1 1 55 55 LEU H H 55 7.931 7.931 7.717 0.214 19215 2027 1 7 . 1 1 56 56 TRP N N 56 118.335 118.335 117.736 0.599 19215 2028 1 7 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.527 -0.160 19215 2029 1 7 . 1 1 56 56 TRP C C 56 176.863 176.863 177.284 -0.421 19215 2030 1 7 . 1 1 56 56 TRP CA C 56 59.070 59.070 58.249 0.821 19215 2031 1 7 . 1 1 56 56 TRP CB C 56 28.839 28.839 27.604 1.235 19215 2032 1 7 . 1 1 56 56 TRP H H 56 7.665 7.665 8.123 -0.458 19215 2033 1 7 . 1 1 57 57 TYR N N 57 116.808 116.808 121.108 -4.300 19215 2034 1 7 . 1 1 57 57 TYR HA H 57 4.172 4.172 3.870 0.302 19215 2035 1 7 . 1 1 57 57 TYR C C 57 176.085 176.085 176.557 -0.472 19215 2036 1 7 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.478 -0.613 19215 2037 1 7 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.755 -0.192 19215 2038 1 7 . 1 1 57 57 TYR H H 57 7.578 7.578 7.629 -0.051 19215 2039 1 7 . 1 1 58 58 ILE N N 58 115.526 115.526 116.027 -0.501 19215 2040 1 7 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.818 0.447 19215 2041 1 7 . 1 1 58 58 ILE C C 58 174.782 174.782 175.640 -0.858 19215 2042 1 7 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.026 -1.086 19215 2043 1 7 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.940 -0.758 19215 2044 1 7 . 1 1 58 58 ILE H H 58 7.586 7.586 7.631 -0.045 19215 2045 1 8 . 1 1 2 2 TYR N N 2 120.470 120.470 120.498 -0.028 19215 2046 1 8 . 1 1 2 2 TYR C C 2 176.535 176.535 176.161 0.374 19215 2047 1 8 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.346 -1.351 19215 2048 1 8 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.315 -2.002 19215 2049 1 8 . 1 1 2 2 TYR H H 2 7.951 7.951 7.875 0.076 19215 2050 1 8 . 1 1 3 3 ILE N N 3 118.307 118.307 116.121 2.186 19215 2051 1 8 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.719 -2.752 19215 2052 1 8 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.428 1.646 19215 2053 1 8 . 1 1 3 3 ILE H H 3 8.381 8.381 8.162 0.219 19215 2054 1 8 . 1 1 5 5 GLU N N 5 118.785 118.785 121.680 -2.895 19215 2055 1 8 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.349 -0.094 19215 2056 1 8 . 1 1 5 5 GLU C C 5 176.267 176.267 175.907 0.360 19215 2057 1 8 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.322 -0.362 19215 2058 1 8 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.059 -0.025 19215 2059 1 8 . 1 1 5 5 GLU H H 5 7.710 7.710 8.830 -1.120 19215 2060 1 8 . 1 1 6 6 ALA N N 6 131.546 131.546 122.487 9.059 19215 2061 1 8 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.095 -0.520 19215 2062 1 8 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.822 -0.862 19215 2063 1 8 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.227 -2.837 19215 2064 1 8 . 1 1 6 6 ALA H H 6 8.338 8.338 7.922 0.416 19215 2065 1 8 . 1 1 8 8 ARG N N 8 126.915 126.915 123.852 3.063 19215 2066 1 8 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.673 -0.603 19215 2067 1 8 . 1 1 8 8 ARG C C 8 175.110 175.110 175.047 0.063 19215 2068 1 8 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.197 -0.498 19215 2069 1 8 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.882 -2.804 19215 2070 1 8 . 1 1 8 8 ARG H H 8 8.725 8.725 8.283 0.442 19215 2071 1 8 . 1 1 9 9 ASP N N 9 123.653 123.653 123.530 0.123 19215 2072 1 8 . 1 1 9 9 ASP C C 9 178.015 178.015 177.143 0.872 19215 2073 1 8 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.753 -2.006 19215 2074 1 8 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.379 -0.535 19215 2075 1 8 . 1 1 9 9 ASP H H 9 8.432 8.432 8.587 -0.155 19215 2076 1 8 . 1 1 10 10 GLY N N 10 111.908 111.908 108.125 3.783 19215 2077 1 8 . 1 1 10 10 GLY C C 10 174.822 174.822 174.396 0.426 19215 2078 1 8 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.361 -0.117 19215 2079 1 8 . 1 1 10 10 GLY H H 10 9.727 9.727 8.392 1.335 19215 2080 1 8 . 1 1 11 11 GLN N N 11 118.395 118.395 118.650 -0.255 19215 2081 1 8 . 1 1 11 11 GLN C C 11 174.711 174.711 174.716 -0.005 19215 2082 1 8 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.452 -2.054 19215 2083 1 8 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.588 0.718 19215 2084 1 8 . 1 1 11 11 GLN H H 11 8.416 8.416 7.706 0.710 19215 2085 1 8 . 1 1 12 12 ALA N N 12 121.020 121.020 126.883 -5.863 19215 2086 1 8 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.485 0.458 19215 2087 1 8 . 1 1 12 12 ALA C C 12 177.990 177.990 175.626 2.364 19215 2088 1 8 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.965 -0.454 19215 2089 1 8 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.596 -0.449 19215 2090 1 8 . 1 1 12 12 ALA H H 12 7.933 7.933 8.492 -0.559 19215 2091 1 8 . 1 1 13 13 TYR N N 13 121.755 121.755 117.799 3.956 19215 2092 1 8 . 1 1 13 13 TYR C C 13 175.519 175.519 173.546 1.973 19215 2093 1 8 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.265 3.825 19215 2094 1 8 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.467 2.713 19215 2095 1 8 . 1 1 13 13 TYR H H 13 9.575 9.575 7.540 2.035 19215 2096 1 8 . 1 1 14 14 VAL N N 14 112.251 112.251 119.973 -7.722 19215 2097 1 8 . 1 1 14 14 VAL C C 14 174.074 174.074 174.591 -0.517 19215 2098 1 8 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.184 -0.094 19215 2099 1 8 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.569 -2.819 19215 2100 1 8 . 1 1 14 14 VAL H H 14 9.659 9.659 9.051 0.608 19215 2101 1 8 . 1 1 15 15 ARG N N 15 124.657 124.657 121.656 3.001 19215 2102 1 8 . 1 1 15 15 ARG C C 15 174.948 174.948 175.627 -0.679 19215 2103 1 8 . 1 1 15 15 ARG CA C 15 53.520 53.520 54.457 -0.937 19215 2104 1 8 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.538 1.996 19215 2105 1 8 . 1 1 15 15 ARG H H 15 8.503 8.503 8.486 0.017 19215 2106 1 8 . 1 1 16 16 LYS N N 16 128.240 128.240 125.715 2.525 19215 2107 1 8 . 1 1 16 16 LYS C C 16 175.974 175.974 175.753 0.221 19215 2108 1 8 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.722 0.054 19215 2109 1 8 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.255 1.298 19215 2110 1 8 . 1 1 16 16 LYS H H 16 9.052 9.052 8.409 0.643 19215 2111 1 8 . 1 1 17 17 ASP N N 17 130.562 130.562 126.222 4.340 19215 2112 1 8 . 1 1 17 17 ASP C C 17 175.822 175.822 176.307 -0.485 19215 2113 1 8 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.431 2.016 19215 2114 1 8 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.329 0.863 19215 2115 1 8 . 1 1 17 17 ASP H H 17 10.886 10.886 8.965 1.921 19215 2116 1 8 . 1 1 18 18 GLY N N 18 104.754 104.754 105.797 -1.043 19215 2117 1 8 . 1 1 18 18 GLY C C 18 173.104 173.104 173.140 -0.036 19215 2118 1 8 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.137 0.107 19215 2119 1 8 . 1 1 18 18 GLY H H 18 9.353 9.353 8.420 0.933 19215 2120 1 8 . 1 1 19 19 GLU N N 19 117.501 117.501 118.221 -0.720 19215 2121 1 8 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.240 0.408 19215 2122 1 8 . 1 1 19 19 GLU C C 19 176.166 176.166 175.048 1.118 19215 2123 1 8 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.316 -0.450 19215 2124 1 8 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.571 -0.441 19215 2125 1 8 . 1 1 19 19 GLU H H 19 7.813 7.813 7.805 0.008 19215 2126 1 8 . 1 1 20 20 TRP N N 20 122.768 122.768 121.837 0.931 19215 2127 1 8 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.989 -0.322 19215 2128 1 8 . 1 1 20 20 TRP C C 20 176.302 176.302 176.457 -0.155 19215 2129 1 8 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.547 -0.669 19215 2130 1 8 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.102 0.443 19215 2131 1 8 . 1 1 20 20 TRP H H 20 9.094 9.094 8.268 0.826 19215 2132 1 8 . 1 1 21 21 VAL N N 21 123.071 123.071 124.556 -1.485 19215 2133 1 8 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.419 0.566 19215 2134 1 8 . 1 1 21 21 VAL C C 21 175.640 175.640 175.215 0.425 19215 2135 1 8 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.545 -1.008 19215 2136 1 8 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.723 -1.072 19215 2137 1 8 . 1 1 21 21 VAL H H 21 9.868 9.868 8.478 1.390 19215 2138 1 8 . 1 1 22 22 LEU N N 22 127.193 127.193 128.857 -1.664 19215 2139 1 8 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.634 -0.212 19215 2140 1 8 . 1 1 22 22 LEU C C 22 179.268 179.268 178.684 0.584 19215 2141 1 8 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.136 0.498 19215 2142 1 8 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.966 -0.687 19215 2143 1 8 . 1 1 22 22 LEU H H 22 8.812 8.812 8.920 -0.108 19215 2144 1 8 . 1 1 23 23 LEU N N 23 126.386 126.386 125.226 1.160 19215 2145 1 8 . 1 1 23 23 LEU C C 23 178.844 178.844 178.249 0.595 19215 2146 1 8 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.630 -0.228 19215 2147 1 8 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.804 -0.743 19215 2148 1 8 . 1 1 23 23 LEU H H 23 8.562 8.562 8.197 0.365 19215 2149 1 8 . 1 1 24 24 SER N N 24 113.100 113.100 115.952 -2.852 19215 2150 1 8 . 1 1 24 24 SER HA H 24 4.621 4.621 4.075 0.546 19215 2151 1 8 . 1 1 24 24 SER C C 24 176.676 176.676 176.643 0.033 19215 2152 1 8 . 1 1 24 24 SER CA C 24 60.960 60.960 61.624 -0.664 19215 2153 1 8 . 1 1 24 24 SER CB C 24 61.650 61.650 62.747 -1.097 19215 2154 1 8 . 1 1 24 24 SER H H 24 9.098 9.098 8.713 0.385 19215 2155 1 8 . 1 1 25 25 THR N N 25 116.715 116.715 113.948 2.767 19215 2156 1 8 . 1 1 25 25 THR HA H 25 3.915 3.915 4.214 -0.299 19215 2157 1 8 . 1 1 25 25 THR CA C 25 64.599 64.599 65.456 -0.857 19215 2158 1 8 . 1 1 25 25 THR CB C 25 68.657 68.657 68.986 -0.329 19215 2159 1 8 . 1 1 25 25 THR H H 25 7.238 7.238 7.999 -0.761 19215 2160 1 8 . 1 1 26 26 PHE N N 26 118.488 118.488 120.789 -2.301 19215 2161 1 8 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.667 -0.557 19215 2162 1 8 . 1 1 26 26 PHE C C 26 176.181 176.181 175.916 0.265 19215 2163 1 8 . 1 1 26 26 PHE CA C 26 58.627 58.627 57.893 0.734 19215 2164 1 8 . 1 1 26 26 PHE CB C 26 39.793 39.793 40.082 -0.289 19215 2165 1 8 . 1 1 26 26 PHE H H 26 7.945 7.945 8.252 -0.307 19215 2166 1 8 . 1 1 27 27 LEU N N 27 118.525 118.525 120.662 -2.137 19215 2167 1 8 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.172 0.351 19215 2168 1 8 . 1 1 27 27 LEU C C 27 177.752 177.752 176.909 0.843 19215 2169 1 8 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.095 -1.416 19215 2170 1 8 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.828 -1.494 19215 2171 1 8 . 1 1 27 27 LEU H H 27 7.290 7.290 7.575 -0.285 19215 2172 1 8 . 1 1 28 28 GLY N N 28 108.823 108.823 105.499 3.324 19215 2173 1 8 . 1 1 28 28 GLY C C 28 174.630 174.630 174.196 0.434 19215 2174 1 8 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.836 0.539 19215 2175 1 8 . 1 1 28 28 GLY H H 28 8.242 8.242 7.834 0.408 19215 2176 1 8 . 1 1 29 29 SER N N 29 116.210 116.210 117.166 -0.956 19215 2177 1 8 . 1 1 29 29 SER HA H 29 4.626 4.626 4.396 0.230 19215 2178 1 8 . 1 1 29 29 SER C C 29 175.312 175.312 174.443 0.869 19215 2179 1 8 . 1 1 29 29 SER CA C 29 57.992 57.992 59.512 -1.520 19215 2180 1 8 . 1 1 29 29 SER CB C 29 63.605 63.605 63.311 0.294 19215 2181 1 8 . 1 1 29 29 SER H H 29 8.310 8.310 8.525 -0.215 19215 2182 1 8 . 1 1 30 30 SER N N 30 118.892 118.892 111.911 6.981 19215 2183 1 8 . 1 1 30 30 SER HA H 30 4.597 4.597 4.895 -0.298 19215 2184 1 8 . 1 1 30 30 SER C C 30 175.479 175.479 173.735 1.744 19215 2185 1 8 . 1 1 30 30 SER CA C 30 58.582 58.582 58.171 0.411 19215 2186 1 8 . 1 1 30 30 SER CB C 30 63.605 63.605 63.259 0.346 19215 2187 1 8 . 1 1 30 30 SER H H 30 8.593 8.593 7.747 0.846 19215 2188 1 8 . 1 1 31 31 GLY N N 31 111.354 111.354 108.924 2.430 19215 2189 1 8 . 1 1 31 31 GLY C C 31 174.428 174.428 173.890 0.538 19215 2190 1 8 . 1 1 31 31 GLY CA C 31 45.456 45.456 46.032 -0.576 19215 2191 1 8 . 1 1 31 31 GLY H H 31 8.584 8.584 7.758 0.826 19215 2192 1 8 . 1 1 32 32 ASN N N 32 119.486 119.486 118.690 0.796 19215 2193 1 8 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.723 0.094 19215 2194 1 8 . 1 1 32 32 ASN C C 32 175.928 175.928 175.552 0.376 19215 2195 1 8 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.900 -0.685 19215 2196 1 8 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.774 0.006 19215 2197 1 8 . 1 1 32 32 ASN H H 32 8.393 8.393 7.794 0.599 19215 2198 1 8 . 1 1 33 33 GLU N N 33 122.031 122.031 121.603 0.428 19215 2199 1 8 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.941 0.330 19215 2200 1 8 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.455 -2.029 19215 2201 1 8 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.272 0.056 19215 2202 1 8 . 1 1 33 33 GLU H H 33 8.711 8.711 7.755 0.956 19215 2203 1 8 . 1 1 34 34 GLN N N 34 120.866 120.866 118.920 1.946 19215 2204 1 8 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.032 0.239 19215 2205 1 8 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.815 -2.589 19215 2206 1 8 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.293 0.546 19215 2207 1 8 . 1 1 34 34 GLN H H 34 8.438 8.438 8.395 0.043 19215 2208 1 8 . 1 1 35 35 GLU N N 35 122.323 122.323 119.878 2.445 19215 2209 1 8 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.102 0.217 19215 2210 1 8 . 1 1 35 35 GLU C C 35 177.176 177.176 178.823 -1.647 19215 2211 1 8 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.740 -1.744 19215 2212 1 8 . 1 1 35 35 GLU CB C 35 29.545 29.545 28.968 0.577 19215 2213 1 8 . 1 1 35 35 GLU H H 35 8.424 8.424 7.593 0.831 19215 2214 1 8 . 1 1 36 36 LEU N N 36 122.904 122.904 118.649 4.255 19215 2215 1 8 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.027 0.292 19215 2216 1 8 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.547 -1.649 19215 2217 1 8 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.992 -0.497 19215 2218 1 8 . 1 1 36 36 LEU H H 36 8.342 8.342 7.434 0.908 19215 2219 1 8 . 1 1 38 38 GLU N N 38 121.931 121.931 120.828 1.103 19215 2220 1 8 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.027 0.369 19215 2221 1 8 . 1 1 38 38 GLU C C 38 177.318 177.318 178.179 -0.861 19215 2222 1 8 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.611 -3.245 19215 2223 1 8 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.502 -0.174 19215 2224 1 8 . 1 1 38 38 GLU H H 38 8.342 8.342 7.616 0.726 19215 2225 1 8 . 1 1 39 39 LEU N N 39 123.317 123.317 119.557 3.760 19215 2226 1 8 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.829 1.519 19215 2227 1 8 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.615 -0.782 19215 2228 1 8 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.376 0.012 19215 2229 1 8 . 1 1 39 39 LEU H H 39 8.342 8.342 7.153 1.189 19215 2230 1 8 . 1 1 40 40 ASP N N 40 119.726 119.726 118.351 1.375 19215 2231 1 8 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.214 0.357 19215 2232 1 8 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.499 -1.910 19215 2233 1 8 . 1 1 40 40 ASP H H 40 8.530 8.530 8.536 -0.006 19215 2234 1 8 . 1 1 41 41 LYS N N 41 121.200 121.200 119.655 1.545 19215 2235 1 8 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.068 0.096 19215 2236 1 8 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.125 -0.905 19215 2237 1 8 . 1 1 41 41 LYS H H 41 8.145 8.145 7.269 0.876 19215 2238 1 8 . 1 1 42 42 TRP N N 42 120.615 120.615 119.654 0.961 19215 2239 1 8 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.382 0.215 19215 2240 1 8 . 1 1 42 42 TRP C C 42 177.641 177.641 178.611 -0.970 19215 2241 1 8 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.151 0.410 19215 2242 1 8 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.145 0.694 19215 2243 1 8 . 1 1 42 42 TRP H H 42 8.025 8.025 8.180 -0.155 19215 2244 1 8 . 1 1 43 43 ALA N N 43 122.056 122.056 121.647 0.409 19215 2245 1 8 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.096 0.044 19215 2246 1 8 . 1 1 43 43 ALA C C 43 172.776 172.776 179.859 -7.083 19215 2247 1 8 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.481 -0.617 19215 2248 1 8 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.801 0.173 19215 2249 1 8 . 1 1 43 43 ALA H H 43 8.199 8.199 8.011 0.188 19215 2250 1 8 . 1 1 44 44 SER N N 44 113.378 113.378 115.779 -2.401 19215 2251 1 8 . 1 1 44 44 SER HA H 44 4.376 4.376 4.171 0.205 19215 2252 1 8 . 1 1 44 44 SER C C 44 176.767 176.767 176.726 0.041 19215 2253 1 8 . 1 1 44 44 SER CA C 44 60.980 60.980 62.165 -1.185 19215 2254 1 8 . 1 1 44 44 SER CB C 44 62.410 62.410 62.999 -0.589 19215 2255 1 8 . 1 1 44 44 SER H H 44 8.210 8.210 7.538 0.672 19215 2256 1 8 . 1 1 45 45 LEU N N 45 123.425 123.425 122.118 1.307 19215 2257 1 8 . 1 1 45 45 LEU HA H 45 4.194 4.194 3.857 0.337 19215 2258 1 8 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.665 -0.059 19215 2259 1 8 . 1 1 45 45 LEU CB C 45 41.170 41.170 42.256 -1.086 19215 2260 1 8 . 1 1 45 45 LEU H H 45 7.906 7.906 7.638 0.268 19215 2261 1 8 . 1 1 46 46 TRP N N 46 118.572 118.572 120.051 -1.479 19215 2262 1 8 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.485 0.170 19215 2263 1 8 . 1 1 46 46 TRP C C 46 177.838 177.838 178.663 -0.825 19215 2264 1 8 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.248 -2.341 19215 2265 1 8 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.867 -0.648 19215 2266 1 8 . 1 1 46 46 TRP H H 46 8.043 8.043 8.711 -0.668 19215 2267 1 8 . 1 1 47 47 ASN N N 47 116.564 116.564 118.515 -1.951 19215 2268 1 8 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.516 0.110 19215 2269 1 8 . 1 1 47 47 ASN C C 47 176.904 176.904 177.902 -0.998 19215 2270 1 8 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.895 -0.850 19215 2271 1 8 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.438 0.125 19215 2272 1 8 . 1 1 47 47 ASN H H 47 8.174 8.174 9.017 -0.843 19215 2273 1 8 . 1 1 48 48 TRP N N 48 121.421 121.421 119.767 1.654 19215 2274 1 8 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.617 -0.250 19215 2275 1 8 . 1 1 48 48 TRP CA C 48 59.517 59.517 56.452 3.065 19215 2276 1 8 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.990 0.903 19215 2277 1 8 . 1 1 48 48 TRP H H 48 8.145 8.145 8.055 0.090 19215 2278 1 8 . 1 1 49 49 PHE N N 49 118.299 118.299 121.428 -3.129 19215 2279 1 8 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.032 0.220 19215 2280 1 8 . 1 1 49 49 PHE C C 49 175.565 175.565 176.041 -0.476 19215 2281 1 8 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.228 -0.341 19215 2282 1 8 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.666 0.005 19215 2283 1 8 . 1 1 49 49 PHE H H 49 8.036 8.036 7.561 0.475 19215 2284 1 8 . 1 1 50 50 ASN N N 50 118.836 118.836 119.756 -0.920 19215 2285 1 8 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.120 0.506 19215 2286 1 8 . 1 1 50 50 ASN C C 50 176.439 176.439 176.882 -0.443 19215 2287 1 8 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.696 -1.481 19215 2288 1 8 . 1 1 50 50 ASN CB C 50 38.128 38.128 36.696 1.432 19215 2289 1 8 . 1 1 50 50 ASN H H 50 7.795 7.795 7.846 -0.051 19215 2290 1 8 . 1 1 51 51 ILE N N 51 120.218 120.218 116.975 3.243 19215 2291 1 8 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.166 -0.375 19215 2292 1 8 . 1 1 51 51 ILE C C 51 177.202 177.202 176.869 0.333 19215 2293 1 8 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.417 -1.315 19215 2294 1 8 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.360 0.007 19215 2295 1 8 . 1 1 51 51 ILE H H 51 8.147 8.147 7.445 0.702 19215 2296 1 8 . 1 1 52 52 THR N N 52 115.352 115.352 113.292 2.060 19215 2297 1 8 . 1 1 52 52 THR HA H 52 4.031 4.031 4.223 -0.192 19215 2298 1 8 . 1 1 52 52 THR C C 52 176.095 176.095 176.315 -0.220 19215 2299 1 8 . 1 1 52 52 THR CA C 52 65.148 65.148 65.884 -0.736 19215 2300 1 8 . 1 1 52 52 THR CB C 52 68.277 68.277 68.727 -0.450 19215 2301 1 8 . 1 1 52 52 THR H H 52 8.009 8.009 7.495 0.514 19215 2302 1 8 . 1 1 53 53 ASN N N 53 119.874 119.874 121.198 -1.324 19215 2303 1 8 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.805 -0.169 19215 2304 1 8 . 1 1 53 53 ASN C C 53 176.530 176.530 176.786 -0.256 19215 2305 1 8 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.377 -1.920 19215 2306 1 8 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.416 -0.614 19215 2307 1 8 . 1 1 53 53 ASN H H 53 7.972 7.972 7.988 -0.016 19215 2308 1 8 . 1 1 54 54 TRP N N 54 120.192 120.192 117.348 2.844 19215 2309 1 8 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.292 0.363 19215 2310 1 8 . 1 1 54 54 TRP CA C 54 58.643 58.643 56.722 1.921 19215 2311 1 8 . 1 1 54 54 TRP CB C 54 29.165 29.165 27.991 1.174 19215 2312 1 8 . 1 1 54 54 TRP H H 54 7.897 7.897 7.294 0.603 19215 2313 1 8 . 1 1 55 55 LEU N N 55 118.354 118.354 121.978 -3.624 19215 2314 1 8 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.930 0.158 19215 2315 1 8 . 1 1 55 55 LEU C C 55 177.975 177.975 178.397 -0.422 19215 2316 1 8 . 1 1 55 55 LEU CA C 55 56.470 56.470 59.431 -2.961 19215 2317 1 8 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.878 -0.980 19215 2318 1 8 . 1 1 55 55 LEU H H 55 7.931 7.931 7.769 0.162 19215 2319 1 8 . 1 1 56 56 TRP N N 56 118.335 118.335 116.060 2.275 19215 2320 1 8 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.483 -0.116 19215 2321 1 8 . 1 1 56 56 TRP C C 56 176.863 176.863 177.455 -0.592 19215 2322 1 8 . 1 1 56 56 TRP CA C 56 59.070 59.070 58.888 0.182 19215 2323 1 8 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.230 0.609 19215 2324 1 8 . 1 1 56 56 TRP H H 56 7.665 7.665 7.513 0.152 19215 2325 1 8 . 1 1 57 57 TYR N N 57 116.808 116.808 120.573 -3.765 19215 2326 1 8 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.201 -0.029 19215 2327 1 8 . 1 1 57 57 TYR C C 57 176.085 176.085 176.300 -0.215 19215 2328 1 8 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.922 -1.057 19215 2329 1 8 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.498 0.065 19215 2330 1 8 . 1 1 57 57 TYR H H 57 7.578 7.578 7.081 0.497 19215 2331 1 8 . 1 1 58 58 ILE N N 58 115.526 115.526 115.634 -0.108 19215 2332 1 8 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.945 0.320 19215 2333 1 8 . 1 1 58 58 ILE C C 58 174.782 174.782 175.653 -0.871 19215 2334 1 8 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.061 -1.121 19215 2335 1 8 . 1 1 58 58 ILE CB C 58 38.182 38.182 39.047 -0.865 19215 2336 1 8 . 1 1 58 58 ILE H H 58 7.586 7.586 7.643 -0.057 19215 2337 1 9 . 1 1 2 2 TYR N N 2 120.470 120.470 120.087 0.383 19215 2338 1 9 . 1 1 2 2 TYR C C 2 176.535 176.535 175.759 0.776 19215 2339 1 9 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.299 -1.304 19215 2340 1 9 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.620 -2.307 19215 2341 1 9 . 1 1 2 2 TYR H H 2 7.951 7.951 7.920 0.031 19215 2342 1 9 . 1 1 3 3 ILE N N 3 118.307 118.307 116.033 2.274 19215 2343 1 9 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.848 -2.880 19215 2344 1 9 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.627 1.447 19215 2345 1 9 . 1 1 3 3 ILE H H 3 8.381 8.381 8.144 0.237 19215 2346 1 9 . 1 1 5 5 GLU N N 5 118.785 118.785 123.399 -4.614 19215 2347 1 9 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.435 -0.180 19215 2348 1 9 . 1 1 5 5 GLU C C 5 176.267 176.267 175.926 0.341 19215 2349 1 9 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.244 -0.285 19215 2350 1 9 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.384 -0.350 19215 2351 1 9 . 1 1 5 5 GLU H H 5 7.710 7.710 8.787 -1.077 19215 2352 1 9 . 1 1 6 6 ALA N N 6 131.546 131.546 122.279 9.267 19215 2353 1 9 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.172 -0.597 19215 2354 1 9 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.913 -0.953 19215 2355 1 9 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.086 -2.697 19215 2356 1 9 . 1 1 6 6 ALA H H 6 8.338 8.338 8.103 0.235 19215 2357 1 9 . 1 1 8 8 ARG N N 8 126.915 126.915 123.897 3.018 19215 2358 1 9 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.686 -0.616 19215 2359 1 9 . 1 1 8 8 ARG C C 8 175.110 175.110 175.126 -0.016 19215 2360 1 9 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.115 -0.416 19215 2361 1 9 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.838 -2.760 19215 2362 1 9 . 1 1 8 8 ARG H H 8 8.725 8.725 8.454 0.271 19215 2363 1 9 . 1 1 9 9 ASP N N 9 123.653 123.653 124.176 -0.523 19215 2364 1 9 . 1 1 9 9 ASP C C 9 178.015 178.015 176.708 1.307 19215 2365 1 9 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.680 -1.933 19215 2366 1 9 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.553 -0.709 19215 2367 1 9 . 1 1 9 9 ASP H H 9 8.432 8.432 8.743 -0.311 19215 2368 1 9 . 1 1 10 10 GLY N N 10 111.908 111.908 108.366 3.542 19215 2369 1 9 . 1 1 10 10 GLY C C 10 174.822 174.822 174.696 0.126 19215 2370 1 9 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.299 -0.055 19215 2371 1 9 . 1 1 10 10 GLY H H 10 9.727 9.727 8.341 1.386 19215 2372 1 9 . 1 1 11 11 GLN N N 11 118.395 118.395 119.926 -1.531 19215 2373 1 9 . 1 1 11 11 GLN C C 11 174.711 174.711 174.963 -0.252 19215 2374 1 9 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.537 -2.139 19215 2375 1 9 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.642 0.664 19215 2376 1 9 . 1 1 11 11 GLN H H 11 8.416 8.416 7.725 0.691 19215 2377 1 9 . 1 1 12 12 ALA N N 12 121.020 121.020 128.903 -7.883 19215 2378 1 9 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.594 0.349 19215 2379 1 9 . 1 1 12 12 ALA C C 12 177.990 177.990 175.697 2.293 19215 2380 1 9 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.220 -0.709 19215 2381 1 9 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.446 -0.299 19215 2382 1 9 . 1 1 12 12 ALA H H 12 7.933 7.933 8.566 -0.633 19215 2383 1 9 . 1 1 13 13 TYR N N 13 121.755 121.755 117.800 3.955 19215 2384 1 9 . 1 1 13 13 TYR C C 13 175.519 175.519 173.542 1.977 19215 2385 1 9 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.193 3.897 19215 2386 1 9 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.596 2.584 19215 2387 1 9 . 1 1 13 13 TYR H H 13 9.575 9.575 7.762 1.813 19215 2388 1 9 . 1 1 14 14 VAL N N 14 112.251 112.251 120.078 -7.827 19215 2389 1 9 . 1 1 14 14 VAL C C 14 174.074 174.074 175.049 -0.975 19215 2390 1 9 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.231 -0.141 19215 2391 1 9 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.368 -2.618 19215 2392 1 9 . 1 1 14 14 VAL H H 14 9.659 9.659 9.227 0.432 19215 2393 1 9 . 1 1 15 15 ARG N N 15 124.657 124.657 123.829 0.828 19215 2394 1 9 . 1 1 15 15 ARG C C 15 174.948 174.948 175.764 -0.816 19215 2395 1 9 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.275 -1.755 19215 2396 1 9 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.182 3.351 19215 2397 1 9 . 1 1 15 15 ARG H H 15 8.503 8.503 8.555 -0.052 19215 2398 1 9 . 1 1 16 16 LYS N N 16 128.240 128.240 125.234 3.006 19215 2399 1 9 . 1 1 16 16 LYS C C 16 175.974 175.974 175.602 0.372 19215 2400 1 9 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.622 0.154 19215 2401 1 9 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.510 1.043 19215 2402 1 9 . 1 1 16 16 LYS H H 16 9.052 9.052 8.151 0.901 19215 2403 1 9 . 1 1 17 17 ASP N N 17 130.562 130.562 125.400 5.162 19215 2404 1 9 . 1 1 17 17 ASP C C 17 175.822 175.822 176.251 -0.429 19215 2405 1 9 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.605 1.842 19215 2406 1 9 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.061 1.131 19215 2407 1 9 . 1 1 17 17 ASP H H 17 10.886 10.886 8.994 1.892 19215 2408 1 9 . 1 1 18 18 GLY N N 18 104.754 104.754 105.267 -0.513 19215 2409 1 9 . 1 1 18 18 GLY C C 18 173.104 173.104 173.123 -0.019 19215 2410 1 9 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.046 0.198 19215 2411 1 9 . 1 1 18 18 GLY H H 18 9.353 9.353 8.307 1.046 19215 2412 1 9 . 1 1 19 19 GLU N N 19 117.501 117.501 118.314 -0.813 19215 2413 1 9 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.857 0.791 19215 2414 1 9 . 1 1 19 19 GLU C C 19 176.166 176.166 175.023 1.143 19215 2415 1 9 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.157 -0.292 19215 2416 1 9 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.209 -0.079 19215 2417 1 9 . 1 1 19 19 GLU H H 19 7.813 7.813 8.238 -0.425 19215 2418 1 9 . 1 1 20 20 TRP N N 20 122.768 122.768 121.923 0.845 19215 2419 1 9 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.742 -0.075 19215 2420 1 9 . 1 1 20 20 TRP C C 20 176.302 176.302 176.365 -0.063 19215 2421 1 9 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.091 -0.213 19215 2422 1 9 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.386 0.159 19215 2423 1 9 . 1 1 20 20 TRP H H 20 9.094 9.094 7.765 1.329 19215 2424 1 9 . 1 1 21 21 VAL N N 21 123.071 123.071 125.513 -2.442 19215 2425 1 9 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.369 0.616 19215 2426 1 9 . 1 1 21 21 VAL C C 21 175.640 175.640 174.906 0.734 19215 2427 1 9 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.626 -1.089 19215 2428 1 9 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.751 -1.100 19215 2429 1 9 . 1 1 21 21 VAL H H 21 9.868 9.868 8.329 1.539 19215 2430 1 9 . 1 1 22 22 LEU N N 22 127.193 127.193 128.544 -1.351 19215 2431 1 9 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.727 -0.305 19215 2432 1 9 . 1 1 22 22 LEU C C 22 179.268 179.268 177.832 1.436 19215 2433 1 9 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.127 0.507 19215 2434 1 9 . 1 1 22 22 LEU CB C 22 41.279 41.279 42.313 -1.034 19215 2435 1 9 . 1 1 22 22 LEU H H 22 8.812 8.812 8.778 0.034 19215 2436 1 9 . 1 1 23 23 LEU N N 23 126.386 126.386 129.679 -3.293 19215 2437 1 9 . 1 1 23 23 LEU C C 23 178.844 178.844 178.119 0.725 19215 2438 1 9 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.008 -0.605 19215 2439 1 9 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.070 -1.009 19215 2440 1 9 . 1 1 23 23 LEU H H 23 8.562 8.562 8.194 0.368 19215 2441 1 9 . 1 1 24 24 SER N N 24 113.100 113.100 114.097 -0.997 19215 2442 1 9 . 1 1 24 24 SER HA H 24 4.621 4.621 4.187 0.434 19215 2443 1 9 . 1 1 24 24 SER C C 24 176.676 176.676 176.323 0.353 19215 2444 1 9 . 1 1 24 24 SER CA C 24 60.960 60.960 61.786 -0.826 19215 2445 1 9 . 1 1 24 24 SER CB C 24 61.650 61.650 62.227 -0.577 19215 2446 1 9 . 1 1 24 24 SER H H 24 9.098 9.098 8.757 0.341 19215 2447 1 9 . 1 1 25 25 THR N N 25 116.715 116.715 115.597 1.118 19215 2448 1 9 . 1 1 25 25 THR HA H 25 3.915 3.915 4.160 -0.245 19215 2449 1 9 . 1 1 25 25 THR CA C 25 64.599 64.599 64.941 -0.342 19215 2450 1 9 . 1 1 25 25 THR CB C 25 68.657 68.657 68.719 -0.062 19215 2451 1 9 . 1 1 25 25 THR H H 25 7.238 7.238 7.838 -0.600 19215 2452 1 9 . 1 1 26 26 PHE N N 26 118.488 118.488 120.503 -2.015 19215 2453 1 9 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.562 -0.452 19215 2454 1 9 . 1 1 26 26 PHE C C 26 176.181 176.181 176.339 -0.158 19215 2455 1 9 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.540 -0.913 19215 2456 1 9 . 1 1 26 26 PHE CB C 26 39.793 39.793 40.138 -0.345 19215 2457 1 9 . 1 1 26 26 PHE H H 26 7.945 7.945 7.957 -0.012 19215 2458 1 9 . 1 1 27 27 LEU N N 27 118.525 118.525 120.036 -1.511 19215 2459 1 9 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.378 0.145 19215 2460 1 9 . 1 1 27 27 LEU C C 27 177.752 177.752 178.195 -0.443 19215 2461 1 9 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.694 -1.014 19215 2462 1 9 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.498 -1.165 19215 2463 1 9 . 1 1 27 27 LEU H H 27 7.290 7.290 7.807 -0.517 19215 2464 1 9 . 1 1 28 28 GLY N N 28 108.823 108.823 106.402 2.421 19215 2465 1 9 . 1 1 28 28 GLY C C 28 174.630 174.630 174.783 -0.153 19215 2466 1 9 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.647 0.728 19215 2467 1 9 . 1 1 28 28 GLY H H 28 8.242 8.242 8.355 -0.113 19215 2468 1 9 . 1 1 29 29 SER N N 29 116.210 116.210 116.400 -0.190 19215 2469 1 9 . 1 1 29 29 SER HA H 29 4.626 4.626 4.145 0.481 19215 2470 1 9 . 1 1 29 29 SER C C 29 175.312 175.312 175.075 0.237 19215 2471 1 9 . 1 1 29 29 SER CA C 29 57.992 57.992 59.650 -1.658 19215 2472 1 9 . 1 1 29 29 SER CB C 29 63.605 63.605 61.975 1.630 19215 2473 1 9 . 1 1 29 29 SER H H 29 8.310 8.310 7.980 0.330 19215 2474 1 9 . 1 1 30 30 SER N N 30 118.892 118.892 115.226 3.666 19215 2475 1 9 . 1 1 30 30 SER HA H 30 4.597 4.597 4.215 0.382 19215 2476 1 9 . 1 1 30 30 SER C C 30 175.479 175.479 175.095 0.384 19215 2477 1 9 . 1 1 30 30 SER CA C 30 58.582 58.582 60.060 -1.478 19215 2478 1 9 . 1 1 30 30 SER CB C 30 63.605 63.605 62.877 0.728 19215 2479 1 9 . 1 1 30 30 SER H H 30 8.593 8.593 8.758 -0.165 19215 2480 1 9 . 1 1 31 31 GLY N N 31 111.354 111.354 105.525 5.829 19215 2481 1 9 . 1 1 31 31 GLY C C 31 174.428 174.428 174.843 -0.415 19215 2482 1 9 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.844 -0.388 19215 2483 1 9 . 1 1 31 31 GLY H H 31 8.584 8.584 8.142 0.442 19215 2484 1 9 . 1 1 32 32 ASN N N 32 119.486 119.486 114.784 4.702 19215 2485 1 9 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.430 0.387 19215 2486 1 9 . 1 1 32 32 ASN C C 32 175.928 175.928 175.901 0.027 19215 2487 1 9 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.724 -1.509 19215 2488 1 9 . 1 1 32 32 ASN CB C 32 38.780 38.780 36.930 1.850 19215 2489 1 9 . 1 1 32 32 ASN H H 32 8.393 8.393 8.431 -0.038 19215 2490 1 9 . 1 1 33 33 GLU N N 33 122.031 122.031 119.575 2.456 19215 2491 1 9 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.922 0.349 19215 2492 1 9 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.683 -2.257 19215 2493 1 9 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.436 -0.108 19215 2494 1 9 . 1 1 33 33 GLU H H 33 8.711 8.711 8.018 0.693 19215 2495 1 9 . 1 1 34 34 GLN N N 34 120.866 120.866 115.494 5.372 19215 2496 1 9 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.188 0.083 19215 2497 1 9 . 1 1 34 34 GLN CA C 34 56.226 56.226 57.831 -1.605 19215 2498 1 9 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.139 0.700 19215 2499 1 9 . 1 1 34 34 GLN H H 34 8.438 8.438 7.834 0.604 19215 2500 1 9 . 1 1 35 35 GLU N N 35 122.323 122.323 118.787 3.536 19215 2501 1 9 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.253 0.066 19215 2502 1 9 . 1 1 35 35 GLU C C 35 177.176 177.176 178.187 -1.011 19215 2503 1 9 . 1 1 35 35 GLU CA C 35 56.996 56.996 57.968 -0.972 19215 2504 1 9 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.925 -0.380 19215 2505 1 9 . 1 1 35 35 GLU H H 35 8.424 8.424 7.641 0.783 19215 2506 1 9 . 1 1 36 36 LEU N N 36 122.904 122.904 117.080 5.824 19215 2507 1 9 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.442 -0.123 19215 2508 1 9 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.471 -1.573 19215 2509 1 9 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.148 -0.652 19215 2510 1 9 . 1 1 36 36 LEU H H 36 8.342 8.342 7.608 0.734 19215 2511 1 9 . 1 1 38 38 GLU N N 38 121.931 121.931 120.389 1.542 19215 2512 1 9 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.055 0.341 19215 2513 1 9 . 1 1 38 38 GLU C C 38 177.318 177.318 178.076 -0.758 19215 2514 1 9 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.831 -3.466 19215 2515 1 9 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.819 -0.491 19215 2516 1 9 . 1 1 38 38 GLU H H 38 8.342 8.342 8.355 -0.013 19215 2517 1 9 . 1 1 39 39 LEU N N 39 123.317 123.317 115.538 7.779 19215 2518 1 9 . 1 1 39 39 LEU HA H 39 4.348 4.348 1.824 2.524 19215 2519 1 9 . 1 1 39 39 LEU CA C 39 56.833 56.833 56.733 0.100 19215 2520 1 9 . 1 1 39 39 LEU CB C 39 41.387 41.387 40.918 0.469 19215 2521 1 9 . 1 1 39 39 LEU H H 39 8.342 8.342 7.559 0.783 19215 2522 1 9 . 1 1 40 40 ASP N N 40 119.726 119.726 118.501 1.225 19215 2523 1 9 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.169 0.402 19215 2524 1 9 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.376 -1.786 19215 2525 1 9 . 1 1 40 40 ASP H H 40 8.530 8.530 7.810 0.720 19215 2526 1 9 . 1 1 41 41 LYS N N 41 121.200 121.200 118.862 2.338 19215 2527 1 9 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.113 0.051 19215 2528 1 9 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.869 -0.649 19215 2529 1 9 . 1 1 41 41 LYS H H 41 8.145 8.145 7.348 0.797 19215 2530 1 9 . 1 1 42 42 TRP N N 42 120.615 120.615 119.578 1.037 19215 2531 1 9 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.505 0.092 19215 2532 1 9 . 1 1 42 42 TRP C C 42 177.641 177.641 178.645 -1.004 19215 2533 1 9 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.221 0.340 19215 2534 1 9 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.701 1.138 19215 2535 1 9 . 1 1 42 42 TRP H H 42 8.025 8.025 7.107 0.918 19215 2536 1 9 . 1 1 43 43 ALA N N 43 122.056 122.056 122.397 -0.341 19215 2537 1 9 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.238 -0.098 19215 2538 1 9 . 1 1 43 43 ALA C C 43 172.776 172.776 179.633 -6.857 19215 2539 1 9 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.225 -0.361 19215 2540 1 9 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.279 -0.305 19215 2541 1 9 . 1 1 43 43 ALA H H 43 8.199 8.199 7.721 0.478 19215 2542 1 9 . 1 1 44 44 SER N N 44 113.378 113.378 115.060 -1.682 19215 2543 1 9 . 1 1 44 44 SER HA H 44 4.376 4.376 4.217 0.159 19215 2544 1 9 . 1 1 44 44 SER C C 44 176.767 176.767 176.751 0.016 19215 2545 1 9 . 1 1 44 44 SER CA C 44 60.980 60.980 61.464 -0.484 19215 2546 1 9 . 1 1 44 44 SER CB C 44 62.410 62.410 62.675 -0.265 19215 2547 1 9 . 1 1 44 44 SER H H 44 8.210 8.210 7.812 0.398 19215 2548 1 9 . 1 1 45 45 LEU N N 45 123.425 123.425 119.132 4.293 19215 2549 1 9 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.126 0.068 19215 2550 1 9 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.746 -0.140 19215 2551 1 9 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.184 -0.014 19215 2552 1 9 . 1 1 45 45 LEU H H 45 7.906 7.906 7.285 0.621 19215 2553 1 9 . 1 1 46 46 TRP N N 46 118.572 118.572 121.137 -2.565 19215 2554 1 9 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.698 -0.043 19215 2555 1 9 . 1 1 46 46 TRP C C 46 177.838 177.838 178.778 -0.940 19215 2556 1 9 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.286 -2.379 19215 2557 1 9 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.877 -0.658 19215 2558 1 9 . 1 1 46 46 TRP H H 46 8.043 8.043 8.587 -0.544 19215 2559 1 9 . 1 1 47 47 ASN N N 47 116.564 116.564 119.773 -3.209 19215 2560 1 9 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.581 0.045 19215 2561 1 9 . 1 1 47 47 ASN C C 47 176.904 176.904 177.723 -0.819 19215 2562 1 9 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.703 -0.658 19215 2563 1 9 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.122 0.441 19215 2564 1 9 . 1 1 47 47 ASN H H 47 8.174 8.174 8.973 -0.799 19215 2565 1 9 . 1 1 48 48 TRP N N 48 121.421 121.421 121.554 -0.133 19215 2566 1 9 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.428 -0.061 19215 2567 1 9 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.356 1.161 19215 2568 1 9 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.625 1.268 19215 2569 1 9 . 1 1 48 48 TRP H H 48 8.145 8.145 7.922 0.223 19215 2570 1 9 . 1 1 49 49 PHE N N 49 118.299 118.299 119.569 -1.270 19215 2571 1 9 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.327 -0.075 19215 2572 1 9 . 1 1 49 49 PHE C C 49 175.565 175.565 176.576 -1.011 19215 2573 1 9 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.548 -0.661 19215 2574 1 9 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.281 0.390 19215 2575 1 9 . 1 1 49 49 PHE H H 49 8.036 8.036 7.585 0.451 19215 2576 1 9 . 1 1 50 50 ASN N N 50 118.836 118.836 119.075 -0.239 19215 2577 1 9 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.424 0.202 19215 2578 1 9 . 1 1 50 50 ASN C C 50 176.439 176.439 177.125 -0.686 19215 2579 1 9 . 1 1 50 50 ASN CA C 50 53.215 53.215 56.517 -3.303 19215 2580 1 9 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.688 -0.560 19215 2581 1 9 . 1 1 50 50 ASN H H 50 7.795 7.795 7.908 -0.113 19215 2582 1 9 . 1 1 51 51 ILE N N 51 120.218 120.218 116.754 3.464 19215 2583 1 9 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.002 -0.211 19215 2584 1 9 . 1 1 51 51 ILE C C 51 177.202 177.202 176.876 0.326 19215 2585 1 9 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.624 -1.522 19215 2586 1 9 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.606 -0.239 19215 2587 1 9 . 1 1 51 51 ILE H H 51 8.147 8.147 7.536 0.611 19215 2588 1 9 . 1 1 52 52 THR N N 52 115.352 115.352 112.268 3.084 19215 2589 1 9 . 1 1 52 52 THR HA H 52 4.031 4.031 3.954 0.077 19215 2590 1 9 . 1 1 52 52 THR C C 52 176.095 176.095 176.651 -0.556 19215 2591 1 9 . 1 1 52 52 THR CA C 52 65.148 65.148 65.426 -0.278 19215 2592 1 9 . 1 1 52 52 THR CB C 52 68.277 68.277 68.405 -0.128 19215 2593 1 9 . 1 1 52 52 THR H H 52 8.009 8.009 7.701 0.308 19215 2594 1 9 . 1 1 53 53 ASN N N 53 119.874 119.874 121.467 -1.593 19215 2595 1 9 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.631 0.005 19215 2596 1 9 . 1 1 53 53 ASN C C 53 176.530 176.530 177.604 -1.074 19215 2597 1 9 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.826 -1.369 19215 2598 1 9 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.320 -0.518 19215 2599 1 9 . 1 1 53 53 ASN H H 53 7.972 7.972 8.106 -0.134 19215 2600 1 9 . 1 1 54 54 TRP N N 54 120.192 120.192 118.847 1.345 19215 2601 1 9 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.632 0.023 19215 2602 1 9 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.515 0.128 19215 2603 1 9 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.527 0.638 19215 2604 1 9 . 1 1 54 54 TRP H H 54 7.897 7.897 7.628 0.269 19215 2605 1 9 . 1 1 55 55 LEU N N 55 118.354 118.354 121.647 -3.293 19215 2606 1 9 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.862 0.226 19215 2607 1 9 . 1 1 55 55 LEU C C 55 177.975 177.975 178.491 -0.516 19215 2608 1 9 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.645 -2.175 19215 2609 1 9 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.236 -0.338 19215 2610 1 9 . 1 1 55 55 LEU H H 55 7.931 7.931 7.652 0.279 19215 2611 1 9 . 1 1 56 56 TRP N N 56 118.335 118.335 118.276 0.059 19215 2612 1 9 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.284 0.083 19215 2613 1 9 . 1 1 56 56 TRP C C 56 176.863 176.863 178.234 -1.371 19215 2614 1 9 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.277 -1.207 19215 2615 1 9 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.014 -0.175 19215 2616 1 9 . 1 1 56 56 TRP H H 56 7.665 7.665 7.259 0.406 19215 2617 1 9 . 1 1 57 57 TYR N N 57 116.808 116.808 119.726 -2.918 19215 2618 1 9 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.310 -0.138 19215 2619 1 9 . 1 1 57 57 TYR C C 57 176.085 176.085 177.575 -1.490 19215 2620 1 9 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.121 -1.256 19215 2621 1 9 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.941 -0.378 19215 2622 1 9 . 1 1 57 57 TYR H H 57 7.578 7.578 7.751 -0.173 19215 2623 1 9 . 1 1 58 58 ILE N N 58 115.526 115.526 117.172 -1.646 19215 2624 1 9 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.789 0.476 19215 2625 1 9 . 1 1 58 58 ILE C C 58 174.782 174.782 176.637 -1.855 19215 2626 1 9 . 1 1 58 58 ILE CA C 58 60.940 60.940 63.412 -2.472 19215 2627 1 9 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.466 -0.284 19215 2628 1 9 . 1 1 58 58 ILE H H 58 7.586 7.586 8.509 -0.923 19215 2629 1 10 . 1 1 2 2 TYR N N 2 120.470 120.470 120.568 -0.098 19215 2630 1 10 . 1 1 2 2 TYR C C 2 176.535 176.535 176.271 0.264 19215 2631 1 10 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.721 -1.726 19215 2632 1 10 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.303 -1.990 19215 2633 1 10 . 1 1 2 2 TYR H H 2 7.951 7.951 8.111 -0.160 19215 2634 1 10 . 1 1 3 3 ILE N N 3 118.307 118.307 115.285 3.022 19215 2635 1 10 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.192 -2.224 19215 2636 1 10 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.130 0.945 19215 2637 1 10 . 1 1 3 3 ILE H H 3 8.381 8.381 8.350 0.031 19215 2638 1 10 . 1 1 5 5 GLU N N 5 118.785 118.785 121.472 -2.687 19215 2639 1 10 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.339 -0.084 19215 2640 1 10 . 1 1 5 5 GLU C C 5 176.267 176.267 176.120 0.147 19215 2641 1 10 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.374 -0.415 19215 2642 1 10 . 1 1 5 5 GLU CB C 5 30.034 30.034 29.948 0.086 19215 2643 1 10 . 1 1 5 5 GLU H H 5 7.710 7.710 8.811 -1.101 19215 2644 1 10 . 1 1 6 6 ALA N N 6 131.546 131.546 123.246 8.300 19215 2645 1 10 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.269 -0.694 19215 2646 1 10 . 1 1 6 6 ALA CA C 6 50.959 50.959 52.106 -1.147 19215 2647 1 10 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.432 -3.043 19215 2648 1 10 . 1 1 6 6 ALA H H 6 8.338 8.338 8.250 0.088 19215 2649 1 10 . 1 1 8 8 ARG N N 8 126.915 126.915 125.128 1.787 19215 2650 1 10 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.696 -0.626 19215 2651 1 10 . 1 1 8 8 ARG C C 8 175.110 175.110 175.378 -0.268 19215 2652 1 10 . 1 1 8 8 ARG CA C 8 54.699 54.699 54.989 -0.290 19215 2653 1 10 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.500 -2.422 19215 2654 1 10 . 1 1 8 8 ARG H H 8 8.725 8.725 8.545 0.180 19215 2655 1 10 . 1 1 9 9 ASP N N 9 123.653 123.653 122.804 0.849 19215 2656 1 10 . 1 1 9 9 ASP C C 9 178.015 178.015 177.213 0.802 19215 2657 1 10 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.295 -1.548 19215 2658 1 10 . 1 1 9 9 ASP CB C 9 40.844 40.844 40.967 -0.123 19215 2659 1 10 . 1 1 9 9 ASP H H 9 8.432 8.432 8.636 -0.204 19215 2660 1 10 . 1 1 10 10 GLY N N 10 111.908 111.908 108.199 3.709 19215 2661 1 10 . 1 1 10 10 GLY C C 10 174.822 174.822 174.524 0.298 19215 2662 1 10 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.102 0.142 19215 2663 1 10 . 1 1 10 10 GLY H H 10 9.727 9.727 8.397 1.330 19215 2664 1 10 . 1 1 11 11 GLN N N 11 118.395 118.395 120.184 -1.789 19215 2665 1 10 . 1 1 11 11 GLN C C 11 174.711 174.711 174.188 0.523 19215 2666 1 10 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.882 -2.483 19215 2667 1 10 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.994 0.312 19215 2668 1 10 . 1 1 11 11 GLN H H 11 8.416 8.416 7.880 0.536 19215 2669 1 10 . 1 1 12 12 ALA N N 12 121.020 121.020 127.388 -6.368 19215 2670 1 10 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.290 0.653 19215 2671 1 10 . 1 1 12 12 ALA C C 12 177.990 177.990 176.109 1.881 19215 2672 1 10 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.160 -0.649 19215 2673 1 10 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.770 -0.623 19215 2674 1 10 . 1 1 12 12 ALA H H 12 7.933 7.933 8.583 -0.650 19215 2675 1 10 . 1 1 13 13 TYR N N 13 121.755 121.755 118.184 3.571 19215 2676 1 10 . 1 1 13 13 TYR C C 13 175.519 175.519 173.664 1.855 19215 2677 1 10 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.772 3.318 19215 2678 1 10 . 1 1 13 13 TYR CB C 13 43.180 43.180 39.929 3.251 19215 2679 1 10 . 1 1 13 13 TYR H H 13 9.575 9.575 7.695 1.880 19215 2680 1 10 . 1 1 14 14 VAL N N 14 112.251 112.251 118.243 -5.992 19215 2681 1 10 . 1 1 14 14 VAL C C 14 174.074 174.074 174.098 -0.024 19215 2682 1 10 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.796 -0.706 19215 2683 1 10 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.766 -3.016 19215 2684 1 10 . 1 1 14 14 VAL H H 14 9.659 9.659 8.493 1.166 19215 2685 1 10 . 1 1 15 15 ARG N N 15 124.657 124.657 122.645 2.012 19215 2686 1 10 . 1 1 15 15 ARG C C 15 174.948 174.948 175.659 -0.711 19215 2687 1 10 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.152 -1.632 19215 2688 1 10 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.252 2.281 19215 2689 1 10 . 1 1 15 15 ARG H H 15 8.503 8.503 8.448 0.055 19215 2690 1 10 . 1 1 16 16 LYS N N 16 128.240 128.240 125.879 2.361 19215 2691 1 10 . 1 1 16 16 LYS C C 16 175.974 175.974 175.813 0.161 19215 2692 1 10 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.708 0.068 19215 2693 1 10 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.528 1.025 19215 2694 1 10 . 1 1 16 16 LYS H H 16 9.052 9.052 8.255 0.797 19215 2695 1 10 . 1 1 17 17 ASP N N 17 130.562 130.562 125.711 4.851 19215 2696 1 10 . 1 1 17 17 ASP C C 17 175.822 175.822 176.261 -0.439 19215 2697 1 10 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.684 1.764 19215 2698 1 10 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.559 0.633 19215 2699 1 10 . 1 1 17 17 ASP H H 17 10.886 10.886 9.041 1.845 19215 2700 1 10 . 1 1 18 18 GLY N N 18 104.754 104.754 105.371 -0.617 19215 2701 1 10 . 1 1 18 18 GLY C C 18 173.104 173.104 173.522 -0.418 19215 2702 1 10 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.115 0.129 19215 2703 1 10 . 1 1 18 18 GLY H H 18 9.353 9.353 8.498 0.855 19215 2704 1 10 . 1 1 19 19 GLU N N 19 117.501 117.501 118.195 -0.694 19215 2705 1 10 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.204 0.444 19215 2706 1 10 . 1 1 19 19 GLU C C 19 176.166 176.166 175.093 1.073 19215 2707 1 10 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.185 -0.320 19215 2708 1 10 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.454 0.676 19215 2709 1 10 . 1 1 19 19 GLU H H 19 7.813 7.813 8.267 -0.454 19215 2710 1 10 . 1 1 20 20 TRP N N 20 122.768 122.768 121.804 0.964 19215 2711 1 10 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.982 -0.315 19215 2712 1 10 . 1 1 20 20 TRP C C 20 176.302 176.302 177.008 -0.706 19215 2713 1 10 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.057 -0.179 19215 2714 1 10 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.899 -0.354 19215 2715 1 10 . 1 1 20 20 TRP H H 20 9.094 9.094 8.291 0.803 19215 2716 1 10 . 1 1 21 21 VAL N N 21 123.071 123.071 120.238 2.833 19215 2717 1 10 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.608 0.377 19215 2718 1 10 . 1 1 21 21 VAL C C 21 175.640 175.640 175.422 0.218 19215 2719 1 10 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.936 -0.399 19215 2720 1 10 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.502 0.149 19215 2721 1 10 . 1 1 21 21 VAL H H 21 9.868 9.868 8.478 1.390 19215 2722 1 10 . 1 1 22 22 LEU N N 22 127.193 127.193 126.781 0.412 19215 2723 1 10 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.480 -0.058 19215 2724 1 10 . 1 1 22 22 LEU C C 22 179.268 179.268 178.267 1.001 19215 2725 1 10 . 1 1 22 22 LEU CA C 22 55.634 55.634 56.045 -0.411 19215 2726 1 10 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.828 -0.549 19215 2727 1 10 . 1 1 22 22 LEU H H 22 8.812 8.812 8.792 0.020 19215 2728 1 10 . 1 1 23 23 LEU N N 23 126.386 126.386 128.884 -2.498 19215 2729 1 10 . 1 1 23 23 LEU C C 23 178.844 178.844 178.458 0.386 19215 2730 1 10 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.746 -0.343 19215 2731 1 10 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.907 -0.846 19215 2732 1 10 . 1 1 23 23 LEU H H 23 8.562 8.562 8.249 0.313 19215 2733 1 10 . 1 1 24 24 SER N N 24 113.100 113.100 114.052 -0.952 19215 2734 1 10 . 1 1 24 24 SER HA H 24 4.621 4.621 4.150 0.471 19215 2735 1 10 . 1 1 24 24 SER C C 24 176.676 176.676 176.161 0.515 19215 2736 1 10 . 1 1 24 24 SER CA C 24 60.960 60.960 61.615 -0.655 19215 2737 1 10 . 1 1 24 24 SER CB C 24 61.650 61.650 62.984 -1.334 19215 2738 1 10 . 1 1 24 24 SER H H 24 9.098 9.098 8.798 0.300 19215 2739 1 10 . 1 1 25 25 THR N N 25 116.715 116.715 115.292 1.423 19215 2740 1 10 . 1 1 25 25 THR HA H 25 3.915 3.915 4.162 -0.247 19215 2741 1 10 . 1 1 25 25 THR CA C 25 64.599 64.599 65.408 -0.809 19215 2742 1 10 . 1 1 25 25 THR CB C 25 68.657 68.657 68.899 -0.242 19215 2743 1 10 . 1 1 25 25 THR H H 25 7.238 7.238 7.857 -0.619 19215 2744 1 10 . 1 1 26 26 PHE N N 26 118.488 118.488 120.694 -2.206 19215 2745 1 10 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.555 -0.445 19215 2746 1 10 . 1 1 26 26 PHE C C 26 176.181 176.181 176.340 -0.159 19215 2747 1 10 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.697 -1.070 19215 2748 1 10 . 1 1 26 26 PHE CB C 26 39.793 39.793 40.089 -0.296 19215 2749 1 10 . 1 1 26 26 PHE H H 26 7.945 7.945 8.296 -0.351 19215 2750 1 10 . 1 1 27 27 LEU N N 27 118.525 118.525 119.314 -0.789 19215 2751 1 10 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.294 0.229 19215 2752 1 10 . 1 1 27 27 LEU C C 27 177.752 177.752 177.576 0.176 19215 2753 1 10 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.790 -1.111 19215 2754 1 10 . 1 1 27 27 LEU CB C 27 41.333 41.333 43.123 -1.790 19215 2755 1 10 . 1 1 27 27 LEU H H 27 7.290 7.290 8.014 -0.724 19215 2756 1 10 . 1 1 28 28 GLY N N 28 108.823 108.823 106.888 1.935 19215 2757 1 10 . 1 1 28 28 GLY C C 28 174.630 174.630 174.326 0.304 19215 2758 1 10 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.660 0.714 19215 2759 1 10 . 1 1 28 28 GLY H H 28 8.242 8.242 8.335 -0.093 19215 2760 1 10 . 1 1 29 29 SER N N 29 116.210 116.210 115.773 0.437 19215 2761 1 10 . 1 1 29 29 SER HA H 29 4.626 4.626 4.026 0.600 19215 2762 1 10 . 1 1 29 29 SER C C 29 175.312 175.312 175.087 0.225 19215 2763 1 10 . 1 1 29 29 SER CA C 29 57.992 57.992 59.368 -1.376 19215 2764 1 10 . 1 1 29 29 SER CB C 29 63.605 63.605 63.061 0.544 19215 2765 1 10 . 1 1 29 29 SER H H 29 8.310 8.310 8.263 0.047 19215 2766 1 10 . 1 1 30 30 SER N N 30 118.892 118.892 114.710 4.182 19215 2767 1 10 . 1 1 30 30 SER HA H 30 4.597 4.597 4.195 0.402 19215 2768 1 10 . 1 1 30 30 SER C C 30 175.479 175.479 175.342 0.137 19215 2769 1 10 . 1 1 30 30 SER CA C 30 58.582 58.582 59.865 -1.283 19215 2770 1 10 . 1 1 30 30 SER CB C 30 63.605 63.605 62.648 0.957 19215 2771 1 10 . 1 1 30 30 SER H H 30 8.593 8.593 8.781 -0.188 19215 2772 1 10 . 1 1 31 31 GLY N N 31 111.354 111.354 106.900 4.454 19215 2773 1 10 . 1 1 31 31 GLY C C 31 174.428 174.428 174.441 -0.013 19215 2774 1 10 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.853 -0.397 19215 2775 1 10 . 1 1 31 31 GLY H H 31 8.584 8.584 8.277 0.307 19215 2776 1 10 . 1 1 32 32 ASN N N 32 119.486 119.486 115.654 3.832 19215 2777 1 10 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.221 0.596 19215 2778 1 10 . 1 1 32 32 ASN C C 32 175.928 175.928 175.881 0.047 19215 2779 1 10 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.977 -1.762 19215 2780 1 10 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.257 1.524 19215 2781 1 10 . 1 1 32 32 ASN H H 32 8.393 8.393 8.484 -0.091 19215 2782 1 10 . 1 1 33 33 GLU N N 33 122.031 122.031 118.659 3.372 19215 2783 1 10 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.918 0.353 19215 2784 1 10 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.273 -1.847 19215 2785 1 10 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.355 -0.028 19215 2786 1 10 . 1 1 33 33 GLU H H 33 8.711 8.711 8.292 0.419 19215 2787 1 10 . 1 1 34 34 GLN N N 34 120.866 120.866 119.305 1.561 19215 2788 1 10 . 1 1 34 34 GLN HA H 34 4.271 4.271 3.943 0.328 19215 2789 1 10 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.665 -3.439 19215 2790 1 10 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.688 0.151 19215 2791 1 10 . 1 1 34 34 GLN H H 34 8.438 8.438 7.654 0.784 19215 2792 1 10 . 1 1 35 35 GLU N N 35 122.323 122.323 118.996 3.327 19215 2793 1 10 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.122 0.197 19215 2794 1 10 . 1 1 35 35 GLU C C 35 177.176 177.176 179.153 -1.977 19215 2795 1 10 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.730 -1.734 19215 2796 1 10 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.148 0.397 19215 2797 1 10 . 1 1 35 35 GLU H H 35 8.424 8.424 8.400 0.024 19215 2798 1 10 . 1 1 36 36 LEU N N 36 122.904 122.904 117.352 5.552 19215 2799 1 10 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.282 0.037 19215 2800 1 10 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.786 -1.888 19215 2801 1 10 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.949 -0.453 19215 2802 1 10 . 1 1 36 36 LEU H H 36 8.342 8.342 7.959 0.383 19215 2803 1 10 . 1 1 38 38 GLU N N 38 121.931 121.931 121.401 0.530 19215 2804 1 10 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.182 0.214 19215 2805 1 10 . 1 1 38 38 GLU C C 38 177.318 177.318 178.291 -0.973 19215 2806 1 10 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.302 -2.936 19215 2807 1 10 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.372 -0.044 19215 2808 1 10 . 1 1 38 38 GLU H H 38 8.342 8.342 8.393 -0.051 19215 2809 1 10 . 1 1 39 39 LEU N N 39 123.317 123.317 118.695 4.622 19215 2810 1 10 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.664 0.684 19215 2811 1 10 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.748 -0.915 19215 2812 1 10 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.216 0.171 19215 2813 1 10 . 1 1 39 39 LEU H H 39 8.342 8.342 7.871 0.471 19215 2814 1 10 . 1 1 40 40 ASP N N 40 119.726 119.726 117.927 1.799 19215 2815 1 10 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.182 0.389 19215 2816 1 10 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.279 -1.690 19215 2817 1 10 . 1 1 40 40 ASP H H 40 8.530 8.530 8.009 0.521 19215 2818 1 10 . 1 1 41 41 LYS N N 41 121.200 121.200 120.452 0.748 19215 2819 1 10 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.146 0.018 19215 2820 1 10 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.740 -0.520 19215 2821 1 10 . 1 1 41 41 LYS H H 41 8.145 8.145 7.670 0.475 19215 2822 1 10 . 1 1 42 42 TRP N N 42 120.615 120.615 117.933 2.682 19215 2823 1 10 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.768 -0.171 19215 2824 1 10 . 1 1 42 42 TRP C C 42 177.641 177.641 177.966 -0.325 19215 2825 1 10 . 1 1 42 42 TRP CA C 42 58.561 58.561 57.992 0.569 19215 2826 1 10 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.556 0.283 19215 2827 1 10 . 1 1 42 42 TRP H H 42 8.025 8.025 7.812 0.213 19215 2828 1 10 . 1 1 43 43 ALA N N 43 122.056 122.056 125.053 -2.997 19215 2829 1 10 . 1 1 43 43 ALA HA H 43 4.140 4.140 3.833 0.307 19215 2830 1 10 . 1 1 43 43 ALA C C 43 172.776 172.776 179.574 -6.798 19215 2831 1 10 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.026 -0.162 19215 2832 1 10 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.858 0.116 19215 2833 1 10 . 1 1 43 43 ALA H H 43 8.199 8.199 7.245 0.954 19215 2834 1 10 . 1 1 44 44 SER N N 44 113.378 113.378 115.259 -1.881 19215 2835 1 10 . 1 1 44 44 SER HA H 44 4.376 4.376 4.131 0.245 19215 2836 1 10 . 1 1 44 44 SER C C 44 176.767 176.767 176.766 0.001 19215 2837 1 10 . 1 1 44 44 SER CA C 44 60.980 60.980 62.327 -1.347 19215 2838 1 10 . 1 1 44 44 SER CB C 44 62.410 62.410 63.071 -0.661 19215 2839 1 10 . 1 1 44 44 SER H H 44 8.210 8.210 7.573 0.637 19215 2840 1 10 . 1 1 45 45 LEU N N 45 123.425 123.425 118.954 4.471 19215 2841 1 10 . 1 1 45 45 LEU HA H 45 4.194 4.194 3.981 0.213 19215 2842 1 10 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.704 -0.098 19215 2843 1 10 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.130 0.040 19215 2844 1 10 . 1 1 45 45 LEU H H 45 7.906 7.906 7.306 0.600 19215 2845 1 10 . 1 1 46 46 TRP N N 46 118.572 118.572 121.535 -2.963 19215 2846 1 10 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.616 0.039 19215 2847 1 10 . 1 1 46 46 TRP C C 46 177.838 177.838 178.750 -0.912 19215 2848 1 10 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.533 -2.626 19215 2849 1 10 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.803 -0.584 19215 2850 1 10 . 1 1 46 46 TRP H H 46 8.043 8.043 8.439 -0.396 19215 2851 1 10 . 1 1 47 47 ASN N N 47 116.564 116.564 118.508 -1.944 19215 2852 1 10 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.703 -0.077 19215 2853 1 10 . 1 1 47 47 ASN C C 47 176.904 176.904 177.859 -0.955 19215 2854 1 10 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.946 -0.901 19215 2855 1 10 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.930 0.633 19215 2856 1 10 . 1 1 47 47 ASN H H 47 8.174 8.174 8.979 -0.805 19215 2857 1 10 . 1 1 48 48 TRP N N 48 121.421 121.421 121.648 -0.227 19215 2858 1 10 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.433 -0.066 19215 2859 1 10 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.226 1.291 19215 2860 1 10 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.742 1.151 19215 2861 1 10 . 1 1 48 48 TRP H H 48 8.145 8.145 7.974 0.171 19215 2862 1 10 . 1 1 49 49 PHE N N 49 118.299 118.299 119.511 -1.212 19215 2863 1 10 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.235 0.017 19215 2864 1 10 . 1 1 49 49 PHE C C 49 175.565 175.565 176.493 -0.928 19215 2865 1 10 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.771 0.116 19215 2866 1 10 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.514 0.157 19215 2867 1 10 . 1 1 49 49 PHE H H 49 8.036 8.036 7.402 0.634 19215 2868 1 10 . 1 1 50 50 ASN N N 50 118.836 118.836 119.376 -0.540 19215 2869 1 10 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.294 0.332 19215 2870 1 10 . 1 1 50 50 ASN C C 50 176.439 176.439 176.006 0.433 19215 2871 1 10 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.963 -2.748 19215 2872 1 10 . 1 1 50 50 ASN CB C 50 38.128 38.128 39.473 -1.345 19215 2873 1 10 . 1 1 50 50 ASN H H 50 7.795 7.795 7.568 0.227 19215 2874 1 10 . 1 1 51 51 ILE N N 51 120.218 120.218 115.599 4.619 19215 2875 1 10 . 1 1 51 51 ILE HA H 51 3.791 3.791 1.520 2.271 19215 2876 1 10 . 1 1 51 51 ILE C C 51 177.202 177.202 176.108 1.094 19215 2877 1 10 . 1 1 51 51 ILE CA C 51 63.102 63.102 63.358 -0.256 19215 2878 1 10 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.908 0.459 19215 2879 1 10 . 1 1 51 51 ILE H H 51 8.147 8.147 6.947 1.200 19215 2880 1 10 . 1 1 52 52 THR N N 52 115.352 115.352 112.171 3.181 19215 2881 1 10 . 1 1 52 52 THR HA H 52 4.031 4.031 3.792 0.239 19215 2882 1 10 . 1 1 52 52 THR C C 52 176.095 176.095 176.540 -0.445 19215 2883 1 10 . 1 1 52 52 THR CA C 52 65.148 65.148 65.691 -0.543 19215 2884 1 10 . 1 1 52 52 THR CB C 52 68.277 68.277 68.302 -0.024 19215 2885 1 10 . 1 1 52 52 THR H H 52 8.009 8.009 7.364 0.645 19215 2886 1 10 . 1 1 53 53 ASN N N 53 119.874 119.874 120.748 -0.874 19215 2887 1 10 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.748 -0.112 19215 2888 1 10 . 1 1 53 53 ASN C C 53 176.530 176.530 177.739 -1.209 19215 2889 1 10 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.188 -1.731 19215 2890 1 10 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.159 -0.357 19215 2891 1 10 . 1 1 53 53 ASN H H 53 7.972 7.972 7.220 0.752 19215 2892 1 10 . 1 1 54 54 TRP N N 54 120.192 120.192 119.226 0.966 19215 2893 1 10 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.718 -0.063 19215 2894 1 10 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.375 1.268 19215 2895 1 10 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.037 1.128 19215 2896 1 10 . 1 1 54 54 TRP H H 54 7.897 7.897 7.713 0.184 19215 2897 1 10 . 1 1 55 55 LEU N N 55 118.354 118.354 121.549 -3.195 19215 2898 1 10 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.862 0.226 19215 2899 1 10 . 1 1 55 55 LEU C C 55 177.975 177.975 178.505 -0.530 19215 2900 1 10 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.513 -2.043 19215 2901 1 10 . 1 1 55 55 LEU CB C 55 40.898 40.898 40.921 -0.023 19215 2902 1 10 . 1 1 55 55 LEU H H 55 7.931 7.931 7.447 0.484 19215 2903 1 10 . 1 1 56 56 TRP N N 56 118.335 118.335 118.401 -0.066 19215 2904 1 10 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.276 0.091 19215 2905 1 10 . 1 1 56 56 TRP C C 56 176.863 176.863 178.227 -1.364 19215 2906 1 10 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.486 -1.416 19215 2907 1 10 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.035 -0.196 19215 2908 1 10 . 1 1 56 56 TRP H H 56 7.665 7.665 7.367 0.298 19215 2909 1 10 . 1 1 57 57 TYR N N 57 116.808 116.808 119.749 -2.941 19215 2910 1 10 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.354 -0.182 19215 2911 1 10 . 1 1 57 57 TYR C C 57 176.085 176.085 177.494 -1.409 19215 2912 1 10 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.002 -1.137 19215 2913 1 10 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.983 -0.420 19215 2914 1 10 . 1 1 57 57 TYR H H 57 7.578 7.578 7.641 -0.063 19215 2915 1 10 . 1 1 58 58 ILE N N 58 115.526 115.526 117.359 -1.833 19215 2916 1 10 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.671 0.594 19215 2917 1 10 . 1 1 58 58 ILE C C 58 174.782 174.782 176.587 -1.805 19215 2918 1 10 . 1 1 58 58 ILE CA C 58 60.940 60.940 63.374 -2.434 19215 2919 1 10 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.510 -0.328 19215 2920 1 10 . 1 1 58 58 ILE H H 58 7.586 7.586 8.518 -0.932 19215 2921 1 11 . 1 1 2 2 TYR N N 2 120.470 120.470 119.035 1.435 19215 2922 1 11 . 1 1 2 2 TYR C C 2 176.535 176.535 176.676 -0.141 19215 2923 1 11 . 1 1 2 2 TYR CA C 2 55.995 55.995 59.145 -3.150 19215 2924 1 11 . 1 1 2 2 TYR CB C 2 37.313 37.313 38.626 -1.313 19215 2925 1 11 . 1 1 2 2 TYR H H 2 7.951 7.951 7.937 0.014 19215 2926 1 11 . 1 1 3 3 ILE N N 3 118.307 118.307 113.158 5.149 19215 2927 1 11 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.702 -2.734 19215 2928 1 11 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.751 1.323 19215 2929 1 11 . 1 1 3 3 ILE H H 3 8.381 8.381 7.828 0.553 19215 2930 1 11 . 1 1 5 5 GLU N N 5 118.785 118.785 121.404 -2.619 19215 2931 1 11 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.400 -0.145 19215 2932 1 11 . 1 1 5 5 GLU C C 5 176.267 176.267 175.985 0.282 19215 2933 1 11 . 1 1 5 5 GLU CA C 5 55.959 55.959 55.987 -0.028 19215 2934 1 11 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.381 -0.346 19215 2935 1 11 . 1 1 5 5 GLU H H 5 7.710 7.710 8.567 -0.857 19215 2936 1 11 . 1 1 6 6 ALA N N 6 131.546 131.546 122.765 8.781 19215 2937 1 11 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.184 -0.609 19215 2938 1 11 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.916 -0.957 19215 2939 1 11 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.103 -2.714 19215 2940 1 11 . 1 1 6 6 ALA H H 6 8.338 8.338 8.183 0.155 19215 2941 1 11 . 1 1 8 8 ARG N N 8 126.915 126.915 125.024 1.891 19215 2942 1 11 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.662 -0.592 19215 2943 1 11 . 1 1 8 8 ARG C C 8 175.110 175.110 175.178 -0.068 19215 2944 1 11 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.206 -0.507 19215 2945 1 11 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.323 -2.245 19215 2946 1 11 . 1 1 8 8 ARG H H 8 8.725 8.725 8.410 0.315 19215 2947 1 11 . 1 1 9 9 ASP N N 9 123.653 123.653 124.389 -0.736 19215 2948 1 11 . 1 1 9 9 ASP C C 9 178.015 178.015 176.893 1.122 19215 2949 1 11 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.611 -1.864 19215 2950 1 11 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.658 -0.814 19215 2951 1 11 . 1 1 9 9 ASP H H 9 8.432 8.432 8.650 -0.218 19215 2952 1 11 . 1 1 10 10 GLY N N 10 111.908 111.908 109.562 2.346 19215 2953 1 11 . 1 1 10 10 GLY C C 10 174.822 174.822 174.574 0.248 19215 2954 1 11 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.403 -0.159 19215 2955 1 11 . 1 1 10 10 GLY H H 10 9.727 9.727 8.686 1.041 19215 2956 1 11 . 1 1 11 11 GLN N N 11 118.395 118.395 119.412 -1.017 19215 2957 1 11 . 1 1 11 11 GLN C C 11 174.711 174.711 174.735 -0.024 19215 2958 1 11 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.272 -0.874 19215 2959 1 11 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.963 0.343 19215 2960 1 11 . 1 1 11 11 GLN H H 11 8.416 8.416 7.782 0.634 19215 2961 1 11 . 1 1 12 12 ALA N N 12 121.020 121.020 123.936 -2.916 19215 2962 1 11 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.737 0.206 19215 2963 1 11 . 1 1 12 12 ALA C C 12 177.990 177.990 175.726 2.264 19215 2964 1 11 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.326 -0.815 19215 2965 1 11 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.261 -0.114 19215 2966 1 11 . 1 1 12 12 ALA H H 12 7.933 7.933 8.354 -0.421 19215 2967 1 11 . 1 1 13 13 TYR N N 13 121.755 121.755 116.977 4.778 19215 2968 1 11 . 1 1 13 13 TYR C C 13 175.519 175.519 173.266 2.253 19215 2969 1 11 . 1 1 13 13 TYR CA C 13 59.090 59.090 53.879 5.211 19215 2970 1 11 . 1 1 13 13 TYR CB C 13 43.180 43.180 39.872 3.308 19215 2971 1 11 . 1 1 13 13 TYR H H 13 9.575 9.575 8.409 1.166 19215 2972 1 11 . 1 1 14 14 VAL N N 14 112.251 112.251 119.018 -6.767 19215 2973 1 11 . 1 1 14 14 VAL C C 14 174.074 174.074 174.180 -0.106 19215 2974 1 11 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.802 -0.712 19215 2975 1 11 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.298 -2.549 19215 2976 1 11 . 1 1 14 14 VAL H H 14 9.659 9.659 8.583 1.076 19215 2977 1 11 . 1 1 15 15 ARG N N 15 124.657 124.657 123.601 1.056 19215 2978 1 11 . 1 1 15 15 ARG C C 15 174.948 174.948 175.619 -0.671 19215 2979 1 11 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.639 -2.119 19215 2980 1 11 . 1 1 15 15 ARG CB C 15 32.533 32.533 31.045 1.488 19215 2981 1 11 . 1 1 15 15 ARG H H 15 8.503 8.503 8.477 0.026 19215 2982 1 11 . 1 1 16 16 LYS N N 16 128.240 128.240 126.773 1.467 19215 2983 1 11 . 1 1 16 16 LYS C C 16 175.974 175.974 174.997 0.977 19215 2984 1 11 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.083 0.693 19215 2985 1 11 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.564 1.989 19215 2986 1 11 . 1 1 16 16 LYS H H 16 9.052 9.052 8.580 0.472 19215 2987 1 11 . 1 1 17 17 ASP N N 17 130.562 130.562 123.670 6.892 19215 2988 1 11 . 1 1 17 17 ASP C C 17 175.822 175.822 175.799 0.023 19215 2989 1 11 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.118 1.329 19215 2990 1 11 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.714 1.478 19215 2991 1 11 . 1 1 17 17 ASP H H 17 10.886 10.886 8.727 2.159 19215 2992 1 11 . 1 1 18 18 GLY N N 18 104.754 104.754 105.101 -0.347 19215 2993 1 11 . 1 1 18 18 GLY C C 18 173.104 173.104 173.174 -0.070 19215 2994 1 11 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.045 0.199 19215 2995 1 11 . 1 1 18 18 GLY H H 18 9.353 9.353 8.585 0.768 19215 2996 1 11 . 1 1 19 19 GLU N N 19 117.501 117.501 118.746 -1.245 19215 2997 1 11 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.773 0.875 19215 2998 1 11 . 1 1 19 19 GLU C C 19 176.166 176.166 174.640 1.526 19215 2999 1 11 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.322 0.543 19215 3000 1 11 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.044 1.086 19215 3001 1 11 . 1 1 19 19 GLU H H 19 7.813 7.813 8.253 -0.440 19215 3002 1 11 . 1 1 20 20 TRP N N 20 122.768 122.768 124.964 -2.196 19215 3003 1 11 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.192 -0.525 19215 3004 1 11 . 1 1 20 20 TRP C C 20 176.302 176.302 176.381 -0.079 19215 3005 1 11 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.703 0.175 19215 3006 1 11 . 1 1 20 20 TRP CB C 20 29.545 29.545 30.194 -0.649 19215 3007 1 11 . 1 1 20 20 TRP H H 20 9.094 9.094 7.719 1.375 19215 3008 1 11 . 1 1 21 21 VAL N N 21 123.071 123.071 122.405 0.666 19215 3009 1 11 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.466 0.519 19215 3010 1 11 . 1 1 21 21 VAL C C 21 175.640 175.640 175.161 0.479 19215 3011 1 11 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.323 -0.786 19215 3012 1 11 . 1 1 21 21 VAL CB C 21 34.651 34.651 36.189 -1.538 19215 3013 1 11 . 1 1 21 21 VAL H H 21 9.868 9.868 8.887 0.981 19215 3014 1 11 . 1 1 22 22 LEU N N 22 127.193 127.193 127.037 0.156 19215 3015 1 11 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.507 -0.085 19215 3016 1 11 . 1 1 22 22 LEU C C 22 179.268 179.268 178.601 0.667 19215 3017 1 11 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.655 -0.021 19215 3018 1 11 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.989 -0.710 19215 3019 1 11 . 1 1 22 22 LEU H H 22 8.812 8.812 8.785 0.027 19215 3020 1 11 . 1 1 23 23 LEU N N 23 126.386 126.386 126.494 -0.108 19215 3021 1 11 . 1 1 23 23 LEU C C 23 178.844 178.844 179.285 -0.441 19215 3022 1 11 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.442 -1.039 19215 3023 1 11 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.832 -0.771 19215 3024 1 11 . 1 1 23 23 LEU H H 23 8.562 8.562 8.389 0.173 19215 3025 1 11 . 1 1 24 24 SER N N 24 113.100 113.100 113.513 -0.413 19215 3026 1 11 . 1 1 24 24 SER HA H 24 4.621 4.621 4.103 0.518 19215 3027 1 11 . 1 1 24 24 SER C C 24 176.676 176.676 176.412 0.264 19215 3028 1 11 . 1 1 24 24 SER CA C 24 60.960 60.960 61.525 -0.565 19215 3029 1 11 . 1 1 24 24 SER CB C 24 61.650 61.650 62.812 -1.162 19215 3030 1 11 . 1 1 24 24 SER H H 24 9.098 9.098 8.748 0.350 19215 3031 1 11 . 1 1 25 25 THR N N 25 116.715 116.715 114.075 2.640 19215 3032 1 11 . 1 1 25 25 THR HA H 25 3.915 3.915 4.061 -0.146 19215 3033 1 11 . 1 1 25 25 THR CA C 25 64.599 64.599 64.770 -0.171 19215 3034 1 11 . 1 1 25 25 THR CB C 25 68.657 68.657 68.704 -0.047 19215 3035 1 11 . 1 1 25 25 THR H H 25 7.238 7.238 7.700 -0.462 19215 3036 1 11 . 1 1 26 26 PHE N N 26 118.488 118.488 119.791 -1.303 19215 3037 1 11 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.347 -0.237 19215 3038 1 11 . 1 1 26 26 PHE C C 26 176.181 176.181 176.861 -0.680 19215 3039 1 11 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.513 -1.886 19215 3040 1 11 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.212 0.582 19215 3041 1 11 . 1 1 26 26 PHE H H 26 7.945 7.945 8.217 -0.272 19215 3042 1 11 . 1 1 27 27 LEU N N 27 118.525 118.525 117.940 0.585 19215 3043 1 11 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.279 0.244 19215 3044 1 11 . 1 1 27 27 LEU C C 27 177.752 177.752 178.368 -0.616 19215 3045 1 11 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.956 -1.277 19215 3046 1 11 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.504 -1.171 19215 3047 1 11 . 1 1 27 27 LEU H H 27 7.290 7.290 7.937 -0.647 19215 3048 1 11 . 1 1 28 28 GLY N N 28 108.823 108.823 104.915 3.908 19215 3049 1 11 . 1 1 28 28 GLY C C 28 174.630 174.630 174.355 0.275 19215 3050 1 11 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.603 -0.229 19215 3051 1 11 . 1 1 28 28 GLY H H 28 8.242 8.242 8.302 -0.060 19215 3052 1 11 . 1 1 29 29 SER N N 29 116.210 116.210 114.165 2.045 19215 3053 1 11 . 1 1 29 29 SER HA H 29 4.626 4.626 4.580 0.046 19215 3054 1 11 . 1 1 29 29 SER C C 29 175.312 175.312 174.114 1.198 19215 3055 1 11 . 1 1 29 29 SER CA C 29 57.992 57.992 57.136 0.856 19215 3056 1 11 . 1 1 29 29 SER CB C 29 63.605 63.605 64.691 -1.085 19215 3057 1 11 . 1 1 29 29 SER H H 29 8.310 8.310 7.368 0.942 19215 3058 1 11 . 1 1 30 30 SER N N 30 118.892 118.892 118.601 0.291 19215 3059 1 11 . 1 1 30 30 SER HA H 30 4.597 4.597 4.389 0.208 19215 3060 1 11 . 1 1 30 30 SER C C 30 175.479 175.479 175.148 0.331 19215 3061 1 11 . 1 1 30 30 SER CA C 30 58.582 58.582 58.228 0.354 19215 3062 1 11 . 1 1 30 30 SER CB C 30 63.605 63.605 61.599 2.006 19215 3063 1 11 . 1 1 30 30 SER H H 30 8.593 8.593 8.737 -0.144 19215 3064 1 11 . 1 1 31 31 GLY N N 31 111.354 111.354 109.504 1.850 19215 3065 1 11 . 1 1 31 31 GLY C C 31 174.428 174.428 173.410 1.018 19215 3066 1 11 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.729 -0.273 19215 3067 1 11 . 1 1 31 31 GLY H H 31 8.584 8.584 8.322 0.262 19215 3068 1 11 . 1 1 32 32 ASN N N 32 119.486 119.486 113.198 6.288 19215 3069 1 11 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.329 0.488 19215 3070 1 11 . 1 1 32 32 ASN C C 32 175.928 175.928 175.509 0.419 19215 3071 1 11 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.669 -0.454 19215 3072 1 11 . 1 1 32 32 ASN CB C 32 38.780 38.780 36.313 2.467 19215 3073 1 11 . 1 1 32 32 ASN H H 32 8.393 8.393 8.471 -0.078 19215 3074 1 11 . 1 1 33 33 GLU N N 33 122.031 122.031 118.460 3.571 19215 3075 1 11 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.918 0.353 19215 3076 1 11 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.073 -1.647 19215 3077 1 11 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.431 -0.103 19215 3078 1 11 . 1 1 33 33 GLU H H 33 8.711 8.711 7.953 0.758 19215 3079 1 11 . 1 1 34 34 GLN N N 34 120.866 120.866 118.104 2.762 19215 3080 1 11 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.038 0.233 19215 3081 1 11 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.350 -3.124 19215 3082 1 11 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.589 0.250 19215 3083 1 11 . 1 1 34 34 GLN H H 34 8.438 8.438 8.342 0.096 19215 3084 1 11 . 1 1 35 35 GLU N N 35 122.323 122.323 119.340 2.983 19215 3085 1 11 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.083 0.236 19215 3086 1 11 . 1 1 35 35 GLU C C 35 177.176 177.176 179.168 -1.992 19215 3087 1 11 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.203 -2.207 19215 3088 1 11 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.352 0.193 19215 3089 1 11 . 1 1 35 35 GLU H H 35 8.424 8.424 7.957 0.467 19215 3090 1 11 . 1 1 36 36 LEU N N 36 122.904 122.904 118.074 4.830 19215 3091 1 11 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.053 0.266 19215 3092 1 11 . 1 1 36 36 LEU CA C 36 55.898 55.898 58.490 -2.592 19215 3093 1 11 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.091 0.405 19215 3094 1 11 . 1 1 36 36 LEU H H 36 8.342 8.342 8.036 0.306 19215 3095 1 11 . 1 1 38 38 GLU N N 38 121.931 121.931 119.238 2.693 19215 3096 1 11 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.167 0.229 19215 3097 1 11 . 1 1 38 38 GLU C C 38 177.318 177.318 178.901 -1.583 19215 3098 1 11 . 1 1 38 38 GLU CA C 38 56.366 56.366 58.995 -2.629 19215 3099 1 11 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.778 -0.450 19215 3100 1 11 . 1 1 38 38 GLU H H 38 8.342 8.342 7.464 0.878 19215 3101 1 11 . 1 1 39 39 LEU N N 39 123.317 123.317 120.540 2.777 19215 3102 1 11 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.066 1.282 19215 3103 1 11 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.859 -1.026 19215 3104 1 11 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.585 -0.198 19215 3105 1 11 . 1 1 39 39 LEU H H 39 8.342 8.342 8.379 -0.037 19215 3106 1 11 . 1 1 40 40 ASP N N 40 119.726 119.726 118.019 1.707 19215 3107 1 11 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.220 0.351 19215 3108 1 11 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.266 -1.677 19215 3109 1 11 . 1 1 40 40 ASP H H 40 8.530 8.530 7.714 0.816 19215 3110 1 11 . 1 1 41 41 LYS N N 41 121.200 121.200 120.225 0.975 19215 3111 1 11 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.154 0.010 19215 3112 1 11 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.218 -0.998 19215 3113 1 11 . 1 1 41 41 LYS H H 41 8.145 8.145 7.692 0.453 19215 3114 1 11 . 1 1 42 42 TRP N N 42 120.615 120.615 119.575 1.040 19215 3115 1 11 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.421 0.176 19215 3116 1 11 . 1 1 42 42 TRP C C 42 177.641 177.641 178.730 -1.089 19215 3117 1 11 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.826 -0.265 19215 3118 1 11 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.293 0.546 19215 3119 1 11 . 1 1 42 42 TRP H H 42 8.025 8.025 7.993 0.032 19215 3120 1 11 . 1 1 43 43 ALA N N 43 122.056 122.056 121.478 0.578 19215 3121 1 11 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.080 0.060 19215 3122 1 11 . 1 1 43 43 ALA C C 43 172.776 172.776 179.904 -7.128 19215 3123 1 11 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.453 -0.589 19215 3124 1 11 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.839 0.135 19215 3125 1 11 . 1 1 43 43 ALA H H 43 8.199 8.199 7.933 0.266 19215 3126 1 11 . 1 1 44 44 SER N N 44 113.378 113.378 115.575 -2.197 19215 3127 1 11 . 1 1 44 44 SER HA H 44 4.376 4.376 4.193 0.183 19215 3128 1 11 . 1 1 44 44 SER C C 44 176.767 176.767 176.860 -0.093 19215 3129 1 11 . 1 1 44 44 SER CA C 44 60.980 60.980 62.240 -1.260 19215 3130 1 11 . 1 1 44 44 SER CB C 44 62.410 62.410 63.024 -0.614 19215 3131 1 11 . 1 1 44 44 SER H H 44 8.210 8.210 7.607 0.603 19215 3132 1 11 . 1 1 45 45 LEU N N 45 123.425 123.425 122.096 1.329 19215 3133 1 11 . 1 1 45 45 LEU HA H 45 4.194 4.194 3.968 0.226 19215 3134 1 11 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.847 -0.241 19215 3135 1 11 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.902 -0.732 19215 3136 1 11 . 1 1 45 45 LEU H H 45 7.906 7.906 7.832 0.074 19215 3137 1 11 . 1 1 46 46 TRP N N 46 118.572 118.572 119.920 -1.348 19215 3138 1 11 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.558 0.097 19215 3139 1 11 . 1 1 46 46 TRP C C 46 177.838 177.838 178.415 -0.577 19215 3140 1 11 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.083 -1.176 19215 3141 1 11 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.824 -0.605 19215 3142 1 11 . 1 1 46 46 TRP H H 46 8.043 8.043 8.614 -0.571 19215 3143 1 11 . 1 1 47 47 ASN N N 47 116.564 116.564 118.293 -1.729 19215 3144 1 11 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.721 -0.095 19215 3145 1 11 . 1 1 47 47 ASN C C 47 176.904 176.904 178.071 -1.167 19215 3146 1 11 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.243 -1.198 19215 3147 1 11 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.635 -0.072 19215 3148 1 11 . 1 1 47 47 ASN H H 47 8.174 8.174 8.856 -0.682 19215 3149 1 11 . 1 1 48 48 TRP N N 48 121.421 121.421 120.242 1.179 19215 3150 1 11 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.621 -0.254 19215 3151 1 11 . 1 1 48 48 TRP CA C 48 59.517 59.517 56.973 2.544 19215 3152 1 11 . 1 1 48 48 TRP CB C 48 28.893 28.893 27.636 1.257 19215 3153 1 11 . 1 1 48 48 TRP H H 48 8.145 8.145 8.115 0.030 19215 3154 1 11 . 1 1 49 49 PHE N N 49 118.299 118.299 122.170 -3.871 19215 3155 1 11 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.002 0.250 19215 3156 1 11 . 1 1 49 49 PHE C C 49 175.565 175.565 176.187 -0.622 19215 3157 1 11 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.598 0.289 19215 3158 1 11 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.676 -0.005 19215 3159 1 11 . 1 1 49 49 PHE H H 49 8.036 8.036 7.503 0.533 19215 3160 1 11 . 1 1 50 50 ASN N N 50 118.836 118.836 119.347 -0.511 19215 3161 1 11 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.378 0.248 19215 3162 1 11 . 1 1 50 50 ASN C C 50 176.439 176.439 175.978 0.461 19215 3163 1 11 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.056 -1.841 19215 3164 1 11 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.949 -0.821 19215 3165 1 11 . 1 1 50 50 ASN H H 50 7.795 7.795 7.514 0.281 19215 3166 1 11 . 1 1 51 51 ILE N N 51 120.218 120.218 115.701 4.517 19215 3167 1 11 . 1 1 51 51 ILE HA H 51 3.791 3.791 2.249 1.542 19215 3168 1 11 . 1 1 51 51 ILE C C 51 177.202 177.202 176.642 0.560 19215 3169 1 11 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.196 -1.094 19215 3170 1 11 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.843 0.524 19215 3171 1 11 . 1 1 51 51 ILE H H 51 8.147 8.147 7.108 1.039 19215 3172 1 11 . 1 1 52 52 THR N N 52 115.352 115.352 112.970 2.382 19215 3173 1 11 . 1 1 52 52 THR HA H 52 4.031 4.031 3.818 0.213 19215 3174 1 11 . 1 1 52 52 THR C C 52 176.095 176.095 176.702 -0.607 19215 3175 1 11 . 1 1 52 52 THR CA C 52 65.148 65.148 65.752 -0.605 19215 3176 1 11 . 1 1 52 52 THR CB C 52 68.277 68.277 68.103 0.174 19215 3177 1 11 . 1 1 52 52 THR H H 52 8.009 8.009 7.410 0.599 19215 3178 1 11 . 1 1 53 53 ASN N N 53 119.874 119.874 121.131 -1.257 19215 3179 1 11 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.701 -0.065 19215 3180 1 11 . 1 1 53 53 ASN C C 53 176.530 176.530 177.768 -1.238 19215 3181 1 11 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.458 -2.001 19215 3182 1 11 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.637 -0.835 19215 3183 1 11 . 1 1 53 53 ASN H H 53 7.972 7.972 7.195 0.777 19215 3184 1 11 . 1 1 54 54 TRP N N 54 120.192 120.192 119.867 0.325 19215 3185 1 11 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.717 -0.062 19215 3186 1 11 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.999 0.644 19215 3187 1 11 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.180 0.985 19215 3188 1 11 . 1 1 54 54 TRP H H 54 7.897 7.897 8.236 -0.339 19215 3189 1 11 . 1 1 55 55 LEU N N 55 118.354 118.354 120.975 -2.621 19215 3190 1 11 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.893 0.195 19215 3191 1 11 . 1 1 55 55 LEU C C 55 177.975 177.975 178.389 -0.414 19215 3192 1 11 . 1 1 55 55 LEU CA C 55 56.470 56.470 59.126 -2.656 19215 3193 1 11 . 1 1 55 55 LEU CB C 55 40.898 40.898 40.851 0.047 19215 3194 1 11 . 1 1 55 55 LEU H H 55 7.931 7.931 7.647 0.284 19215 3195 1 11 . 1 1 56 56 TRP N N 56 118.335 118.335 115.886 2.449 19215 3196 1 11 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.356 0.011 19215 3197 1 11 . 1 1 56 56 TRP C C 56 176.863 176.863 177.811 -0.948 19215 3198 1 11 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.342 -1.272 19215 3199 1 11 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.971 -0.133 19215 3200 1 11 . 1 1 56 56 TRP H H 56 7.665 7.665 7.395 0.270 19215 3201 1 11 . 1 1 57 57 TYR N N 57 116.808 116.808 117.805 -0.997 19215 3202 1 11 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.305 -0.133 19215 3203 1 11 . 1 1 57 57 TYR C C 57 176.085 176.085 177.859 -1.774 19215 3204 1 11 . 1 1 57 57 TYR CA C 57 59.865 59.865 59.391 0.474 19215 3205 1 11 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.867 -0.304 19215 3206 1 11 . 1 1 57 57 TYR H H 57 7.578 7.578 7.579 -0.001 19215 3207 1 11 . 1 1 58 58 ILE N N 58 115.526 115.526 117.242 -1.716 19215 3208 1 11 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.885 0.380 19215 3209 1 11 . 1 1 58 58 ILE C C 58 174.782 174.782 176.077 -1.295 19215 3210 1 11 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.842 -1.901 19215 3211 1 11 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.897 -0.715 19215 3212 1 11 . 1 1 58 58 ILE H H 58 7.586 7.586 8.378 -0.792 19215 3213 1 12 . 1 1 2 2 TYR N N 2 120.470 120.470 119.160 1.310 19215 3214 1 12 . 1 1 2 2 TYR C C 2 176.535 176.535 175.606 0.929 19215 3215 1 12 . 1 1 2 2 TYR CA C 2 55.995 55.995 56.790 -0.795 19215 3216 1 12 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.860 -2.547 19215 3217 1 12 . 1 1 2 2 TYR H H 2 7.951 7.951 7.742 0.209 19215 3218 1 12 . 1 1 3 3 ILE N N 3 118.307 118.307 119.169 -0.862 19215 3219 1 12 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.469 -2.501 19215 3220 1 12 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.605 1.470 19215 3221 1 12 . 1 1 3 3 ILE H H 3 8.381 8.381 8.204 0.177 19215 3222 1 12 . 1 1 5 5 GLU N N 5 118.785 118.785 121.108 -2.323 19215 3223 1 12 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.384 -0.129 19215 3224 1 12 . 1 1 5 5 GLU C C 5 176.267 176.267 175.866 0.401 19215 3225 1 12 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.363 -0.404 19215 3226 1 12 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.171 -0.137 19215 3227 1 12 . 1 1 5 5 GLU H H 5 7.710 7.710 8.951 -1.241 19215 3228 1 12 . 1 1 6 6 ALA N N 6 131.546 131.546 122.601 8.945 19215 3229 1 12 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.127 -0.552 19215 3230 1 12 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.917 -0.958 19215 3231 1 12 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.149 -2.760 19215 3232 1 12 . 1 1 6 6 ALA H H 6 8.338 8.338 8.050 0.288 19215 3233 1 12 . 1 1 8 8 ARG N N 8 126.915 126.915 123.676 3.239 19215 3234 1 12 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.599 -0.529 19215 3235 1 12 . 1 1 8 8 ARG C C 8 175.110 175.110 175.000 0.110 19215 3236 1 12 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.346 -0.647 19215 3237 1 12 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.864 -2.786 19215 3238 1 12 . 1 1 8 8 ARG H H 8 8.725 8.725 8.269 0.456 19215 3239 1 12 . 1 1 9 9 ASP N N 9 123.653 123.653 124.419 -0.766 19215 3240 1 12 . 1 1 9 9 ASP C C 9 178.015 178.015 176.674 1.341 19215 3241 1 12 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.669 -1.922 19215 3242 1 12 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.684 -0.840 19215 3243 1 12 . 1 1 9 9 ASP H H 9 8.432 8.432 8.914 -0.482 19215 3244 1 12 . 1 1 10 10 GLY N N 10 111.908 111.908 109.012 2.896 19215 3245 1 12 . 1 1 10 10 GLY C C 10 174.822 174.822 174.998 -0.176 19215 3246 1 12 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.423 -0.179 19215 3247 1 12 . 1 1 10 10 GLY H H 10 9.727 9.727 8.489 1.238 19215 3248 1 12 . 1 1 11 11 GLN N N 11 118.395 118.395 120.523 -2.128 19215 3249 1 12 . 1 1 11 11 GLN C C 11 174.711 174.711 174.516 0.195 19215 3250 1 12 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.011 -1.613 19215 3251 1 12 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.732 -0.426 19215 3252 1 12 . 1 1 11 11 GLN H H 11 8.416 8.416 8.077 0.339 19215 3253 1 12 . 1 1 12 12 ALA N N 12 121.020 121.020 123.420 -2.400 19215 3254 1 12 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.495 0.448 19215 3255 1 12 . 1 1 12 12 ALA C C 12 177.990 177.990 175.351 2.639 19215 3256 1 12 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.207 -0.696 19215 3257 1 12 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.421 -0.274 19215 3258 1 12 . 1 1 12 12 ALA H H 12 7.933 7.933 8.453 -0.520 19215 3259 1 12 . 1 1 13 13 TYR N N 13 121.755 121.755 116.850 4.905 19215 3260 1 12 . 1 1 13 13 TYR C C 13 175.519 175.519 173.722 1.797 19215 3261 1 12 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.860 3.230 19215 3262 1 12 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.332 2.848 19215 3263 1 12 . 1 1 13 13 TYR H H 13 9.575 9.575 7.611 1.964 19215 3264 1 12 . 1 1 14 14 VAL N N 14 112.251 112.251 118.886 -6.635 19215 3265 1 12 . 1 1 14 14 VAL C C 14 174.074 174.074 174.295 -0.221 19215 3266 1 12 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.819 -0.729 19215 3267 1 12 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.538 -2.788 19215 3268 1 12 . 1 1 14 14 VAL H H 14 9.659 9.659 8.949 0.710 19215 3269 1 12 . 1 1 15 15 ARG N N 15 124.657 124.657 123.830 0.827 19215 3270 1 12 . 1 1 15 15 ARG C C 15 174.948 174.948 175.676 -0.728 19215 3271 1 12 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.579 -2.059 19215 3272 1 12 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.237 2.296 19215 3273 1 12 . 1 1 15 15 ARG H H 15 8.503 8.503 8.566 -0.063 19215 3274 1 12 . 1 1 16 16 LYS N N 16 128.240 128.240 126.311 1.929 19215 3275 1 12 . 1 1 16 16 LYS C C 16 175.974 175.974 175.028 0.946 19215 3276 1 12 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.702 0.074 19215 3277 1 12 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.104 1.449 19215 3278 1 12 . 1 1 16 16 LYS H H 16 9.052 9.052 8.137 0.915 19215 3279 1 12 . 1 1 17 17 ASP N N 17 130.562 130.562 123.498 7.064 19215 3280 1 12 . 1 1 17 17 ASP C C 17 175.822 175.822 175.658 0.164 19215 3281 1 12 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.083 1.364 19215 3282 1 12 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.797 1.395 19215 3283 1 12 . 1 1 17 17 ASP H H 17 10.886 10.886 8.917 1.969 19215 3284 1 12 . 1 1 18 18 GLY N N 18 104.754 104.754 105.178 -0.424 19215 3285 1 12 . 1 1 18 18 GLY C C 18 173.104 173.104 173.195 -0.091 19215 3286 1 12 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.263 -0.019 19215 3287 1 12 . 1 1 18 18 GLY H H 18 9.353 9.353 8.259 1.094 19215 3288 1 12 . 1 1 19 19 GLU N N 19 117.501 117.501 118.203 -0.702 19215 3289 1 12 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.239 0.409 19215 3290 1 12 . 1 1 19 19 GLU C C 19 176.166 176.166 174.561 1.605 19215 3291 1 12 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.731 0.134 19215 3292 1 12 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.201 -0.071 19215 3293 1 12 . 1 1 19 19 GLU H H 19 7.813 7.813 7.921 -0.108 19215 3294 1 12 . 1 1 20 20 TRP N N 20 122.768 122.768 122.830 -0.062 19215 3295 1 12 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.775 -0.108 19215 3296 1 12 . 1 1 20 20 TRP C C 20 176.302 176.302 176.090 0.212 19215 3297 1 12 . 1 1 20 20 TRP CA C 20 55.878 55.878 57.136 -1.258 19215 3298 1 12 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.388 0.157 19215 3299 1 12 . 1 1 20 20 TRP H H 20 9.094 9.094 8.332 0.762 19215 3300 1 12 . 1 1 21 21 VAL N N 21 123.071 123.071 123.345 -0.274 19215 3301 1 12 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.499 0.486 19215 3302 1 12 . 1 1 21 21 VAL C C 21 175.640 175.640 175.570 0.070 19215 3303 1 12 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.365 -0.828 19215 3304 1 12 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.896 -1.245 19215 3305 1 12 . 1 1 21 21 VAL H H 21 9.868 9.868 8.495 1.373 19215 3306 1 12 . 1 1 22 22 LEU N N 22 127.193 127.193 127.406 -0.213 19215 3307 1 12 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.568 -0.146 19215 3308 1 12 . 1 1 22 22 LEU C C 22 179.268 179.268 178.752 0.516 19215 3309 1 12 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.531 0.103 19215 3310 1 12 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.626 -0.347 19215 3311 1 12 . 1 1 22 22 LEU H H 22 8.812 8.812 8.791 0.021 19215 3312 1 12 . 1 1 23 23 LEU N N 23 126.386 126.386 128.518 -2.132 19215 3313 1 12 . 1 1 23 23 LEU C C 23 178.844 178.844 178.467 0.377 19215 3314 1 12 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.111 -0.708 19215 3315 1 12 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.028 -0.966 19215 3316 1 12 . 1 1 23 23 LEU H H 23 8.562 8.562 8.396 0.166 19215 3317 1 12 . 1 1 24 24 SER N N 24 113.100 113.100 113.558 -0.458 19215 3318 1 12 . 1 1 24 24 SER HA H 24 4.621 4.621 4.085 0.536 19215 3319 1 12 . 1 1 24 24 SER C C 24 176.676 176.676 176.559 0.117 19215 3320 1 12 . 1 1 24 24 SER CA C 24 60.960 60.960 61.334 -0.374 19215 3321 1 12 . 1 1 24 24 SER CB C 24 61.650 61.650 62.480 -0.830 19215 3322 1 12 . 1 1 24 24 SER H H 24 9.098 9.098 8.758 0.340 19215 3323 1 12 . 1 1 25 25 THR N N 25 116.715 116.715 119.057 -2.342 19215 3324 1 12 . 1 1 25 25 THR HA H 25 3.915 3.915 4.037 -0.121 19215 3325 1 12 . 1 1 25 25 THR CA C 25 64.599 64.599 65.487 -0.888 19215 3326 1 12 . 1 1 25 25 THR CB C 25 68.657 68.657 68.692 -0.035 19215 3327 1 12 . 1 1 25 25 THR H H 25 7.238 7.238 7.685 -0.447 19215 3328 1 12 . 1 1 26 26 PHE N N 26 118.488 118.488 118.396 0.092 19215 3329 1 12 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.420 -0.310 19215 3330 1 12 . 1 1 26 26 PHE C C 26 176.181 176.181 176.412 -0.231 19215 3331 1 12 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.142 -1.515 19215 3332 1 12 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.255 0.538 19215 3333 1 12 . 1 1 26 26 PHE H H 26 7.945 7.945 8.468 -0.523 19215 3334 1 12 . 1 1 27 27 LEU N N 27 118.525 118.525 119.106 -0.581 19215 3335 1 12 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.239 0.284 19215 3336 1 12 . 1 1 27 27 LEU C C 27 177.752 177.752 177.914 -0.162 19215 3337 1 12 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.386 -0.707 19215 3338 1 12 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.714 -1.381 19215 3339 1 12 . 1 1 27 27 LEU H H 27 7.290 7.290 7.425 -0.135 19215 3340 1 12 . 1 1 28 28 GLY N N 28 108.823 108.823 106.607 2.216 19215 3341 1 12 . 1 1 28 28 GLY C C 28 174.630 174.630 174.181 0.449 19215 3342 1 12 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.737 0.637 19215 3343 1 12 . 1 1 28 28 GLY H H 28 8.242 8.242 7.830 0.412 19215 3344 1 12 . 1 1 29 29 SER N N 29 116.210 116.210 119.167 -2.957 19215 3345 1 12 . 1 1 29 29 SER HA H 29 4.626 4.626 4.142 0.484 19215 3346 1 12 . 1 1 29 29 SER C C 29 175.312 175.312 174.364 0.948 19215 3347 1 12 . 1 1 29 29 SER CA C 29 57.992 57.992 59.743 -1.751 19215 3348 1 12 . 1 1 29 29 SER CB C 29 63.605 63.605 61.779 1.826 19215 3349 1 12 . 1 1 29 29 SER H H 29 8.310 8.310 8.755 -0.445 19215 3350 1 12 . 1 1 30 30 SER N N 30 118.892 118.892 121.157 -2.265 19215 3351 1 12 . 1 1 30 30 SER HA H 30 4.597 4.597 4.454 0.143 19215 3352 1 12 . 1 1 30 30 SER C C 30 175.479 175.479 175.754 -0.275 19215 3353 1 12 . 1 1 30 30 SER CA C 30 58.582 58.582 59.130 -0.548 19215 3354 1 12 . 1 1 30 30 SER CB C 30 63.605 63.605 62.885 0.720 19215 3355 1 12 . 1 1 30 30 SER H H 30 8.593 8.593 8.468 0.125 19215 3356 1 12 . 1 1 31 31 GLY N N 31 111.354 111.354 110.929 0.425 19215 3357 1 12 . 1 1 31 31 GLY C C 31 174.428 174.428 173.743 0.685 19215 3358 1 12 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.333 0.123 19215 3359 1 12 . 1 1 31 31 GLY H H 31 8.584 8.584 7.626 0.958 19215 3360 1 12 . 1 1 32 32 ASN N N 32 119.486 119.486 112.461 7.025 19215 3361 1 12 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.194 0.623 19215 3362 1 12 . 1 1 32 32 ASN C C 32 175.928 175.928 176.290 -0.362 19215 3363 1 12 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.072 -0.857 19215 3364 1 12 . 1 1 32 32 ASN CB C 32 38.780 38.780 36.162 2.618 19215 3365 1 12 . 1 1 32 32 ASN H H 32 8.393 8.393 8.119 0.274 19215 3366 1 12 . 1 1 33 33 GLU N N 33 122.031 122.031 117.955 4.076 19215 3367 1 12 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.899 0.372 19215 3368 1 12 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.059 -1.633 19215 3369 1 12 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.144 0.184 19215 3370 1 12 . 1 1 33 33 GLU H H 33 8.711 8.711 7.758 0.954 19215 3371 1 12 . 1 1 34 34 GLN N N 34 120.866 120.866 119.015 1.851 19215 3372 1 12 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.178 0.093 19215 3373 1 12 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.020 -2.794 19215 3374 1 12 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.284 0.555 19215 3375 1 12 . 1 1 34 34 GLN H H 34 8.438 8.438 7.706 0.732 19215 3376 1 12 . 1 1 35 35 GLU N N 35 122.323 122.323 120.595 1.728 19215 3377 1 12 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.152 0.167 19215 3378 1 12 . 1 1 35 35 GLU C C 35 177.176 177.176 179.518 -2.342 19215 3379 1 12 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.844 -1.848 19215 3380 1 12 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.369 0.176 19215 3381 1 12 . 1 1 35 35 GLU H H 35 8.424 8.424 7.870 0.554 19215 3382 1 12 . 1 1 36 36 LEU N N 36 122.904 122.904 119.646 3.258 19215 3383 1 12 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.082 0.237 19215 3384 1 12 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.671 -1.773 19215 3385 1 12 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.846 -0.351 19215 3386 1 12 . 1 1 36 36 LEU H H 36 8.342 8.342 7.572 0.770 19215 3387 1 12 . 1 1 38 38 GLU N N 38 121.931 121.931 118.636 3.295 19215 3388 1 12 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.162 0.234 19215 3389 1 12 . 1 1 38 38 GLU C C 38 177.318 177.318 179.249 -1.931 19215 3390 1 12 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.115 -2.749 19215 3391 1 12 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.744 -0.416 19215 3392 1 12 . 1 1 38 38 GLU H H 38 8.342 8.342 8.322 0.020 19215 3393 1 12 . 1 1 39 39 LEU N N 39 123.317 123.317 120.946 2.371 19215 3394 1 12 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.072 0.276 19215 3395 1 12 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.374 -1.541 19215 3396 1 12 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.820 -0.433 19215 3397 1 12 . 1 1 39 39 LEU H H 39 8.342 8.342 7.753 0.589 19215 3398 1 12 . 1 1 40 40 ASP N N 40 119.726 119.726 117.790 1.936 19215 3399 1 12 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.315 0.256 19215 3400 1 12 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.508 -1.919 19215 3401 1 12 . 1 1 40 40 ASP H H 40 8.530 8.530 8.336 0.194 19215 3402 1 12 . 1 1 41 41 LYS N N 41 121.200 121.200 120.171 1.029 19215 3403 1 12 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.021 0.143 19215 3404 1 12 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.234 -1.014 19215 3405 1 12 . 1 1 41 41 LYS H H 41 8.145 8.145 8.014 0.131 19215 3406 1 12 . 1 1 42 42 TRP N N 42 120.615 120.615 119.152 1.463 19215 3407 1 12 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.449 0.148 19215 3408 1 12 . 1 1 42 42 TRP C C 42 177.641 177.641 178.630 -0.989 19215 3409 1 12 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.185 -1.624 19215 3410 1 12 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.789 0.050 19215 3411 1 12 . 1 1 42 42 TRP H H 42 8.025 8.025 7.639 0.386 19215 3412 1 12 . 1 1 43 43 ALA N N 43 122.056 122.056 121.182 0.874 19215 3413 1 12 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.118 0.022 19215 3414 1 12 . 1 1 43 43 ALA C C 43 172.776 172.776 180.115 -7.339 19215 3415 1 12 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.177 -0.313 19215 3416 1 12 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.988 -0.014 19215 3417 1 12 . 1 1 43 43 ALA H H 43 8.199 8.199 7.901 0.298 19215 3418 1 12 . 1 1 44 44 SER N N 44 113.378 113.378 114.981 -1.603 19215 3419 1 12 . 1 1 44 44 SER HA H 44 4.376 4.376 4.309 0.067 19215 3420 1 12 . 1 1 44 44 SER C C 44 176.767 176.767 176.940 -0.173 19215 3421 1 12 . 1 1 44 44 SER CA C 44 60.980 60.980 62.065 -1.085 19215 3422 1 12 . 1 1 44 44 SER CB C 44 62.410 62.410 62.956 -0.546 19215 3423 1 12 . 1 1 44 44 SER H H 44 8.210 8.210 7.659 0.551 19215 3424 1 12 . 1 1 45 45 LEU N N 45 123.425 123.425 121.424 2.001 19215 3425 1 12 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.012 0.182 19215 3426 1 12 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.825 -0.220 19215 3427 1 12 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.832 -0.662 19215 3428 1 12 . 1 1 45 45 LEU H H 45 7.906 7.906 7.460 0.446 19215 3429 1 12 . 1 1 46 46 TRP N N 46 118.572 118.572 120.129 -1.557 19215 3430 1 12 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.506 0.149 19215 3431 1 12 . 1 1 46 46 TRP C C 46 177.838 177.838 177.132 0.706 19215 3432 1 12 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.382 -2.475 19215 3433 1 12 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.544 -0.325 19215 3434 1 12 . 1 1 46 46 TRP H H 46 8.043 8.043 8.370 -0.327 19215 3435 1 12 . 1 1 47 47 ASN N N 47 116.564 116.564 117.305 -0.741 19215 3436 1 12 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.767 -0.141 19215 3437 1 12 . 1 1 47 47 ASN C C 47 176.904 176.904 177.910 -1.006 19215 3438 1 12 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.873 -0.828 19215 3439 1 12 . 1 1 47 47 ASN CB C 47 38.563 38.563 39.123 -0.560 19215 3440 1 12 . 1 1 47 47 ASN H H 47 8.174 8.174 8.403 -0.229 19215 3441 1 12 . 1 1 48 48 TRP N N 48 121.421 121.421 122.500 -1.079 19215 3442 1 12 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.521 -0.154 19215 3443 1 12 . 1 1 48 48 TRP CA C 48 59.517 59.517 59.320 0.197 19215 3444 1 12 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.340 0.553 19215 3445 1 12 . 1 1 48 48 TRP H H 48 8.145 8.145 8.470 -0.325 19215 3446 1 12 . 1 1 49 49 PHE N N 49 118.299 118.299 119.087 -0.788 19215 3447 1 12 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.970 0.282 19215 3448 1 12 . 1 1 49 49 PHE C C 49 175.565 175.565 176.948 -1.383 19215 3449 1 12 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.026 -1.139 19215 3450 1 12 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.654 1.017 19215 3451 1 12 . 1 1 49 49 PHE H H 49 8.036 8.036 8.235 -0.199 19215 3452 1 12 . 1 1 50 50 ASN N N 50 118.836 118.836 118.961 -0.125 19215 3453 1 12 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.071 0.555 19215 3454 1 12 . 1 1 50 50 ASN C C 50 176.439 176.439 176.533 -0.094 19215 3455 1 12 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.088 -1.873 19215 3456 1 12 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.376 -0.248 19215 3457 1 12 . 1 1 50 50 ASN H H 50 7.795 7.795 7.368 0.427 19215 3458 1 12 . 1 1 51 51 ILE N N 51 120.218 120.218 117.341 2.877 19215 3459 1 12 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.173 -0.382 19215 3460 1 12 . 1 1 51 51 ILE C C 51 177.202 177.202 177.225 -0.023 19215 3461 1 12 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.731 -1.629 19215 3462 1 12 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.544 0.823 19215 3463 1 12 . 1 1 51 51 ILE H H 51 8.147 8.147 7.781 0.366 19215 3464 1 12 . 1 1 52 52 THR N N 52 115.352 115.352 112.275 3.077 19215 3465 1 12 . 1 1 52 52 THR HA H 52 4.031 4.031 4.071 -0.040 19215 3466 1 12 . 1 1 52 52 THR C C 52 176.095 176.095 176.538 -0.443 19215 3467 1 12 . 1 1 52 52 THR CA C 52 65.148 65.148 65.275 -0.127 19215 3468 1 12 . 1 1 52 52 THR CB C 52 68.277 68.277 68.915 -0.638 19215 3469 1 12 . 1 1 52 52 THR H H 52 8.009 8.009 7.685 0.324 19215 3470 1 12 . 1 1 53 53 ASN N N 53 119.874 119.874 121.534 -1.660 19215 3471 1 12 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.573 0.063 19215 3472 1 12 . 1 1 53 53 ASN C C 53 176.530 176.530 177.621 -1.091 19215 3473 1 12 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.010 -1.552 19215 3474 1 12 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.791 0.010 19215 3475 1 12 . 1 1 53 53 ASN H H 53 7.972 7.972 8.049 -0.077 19215 3476 1 12 . 1 1 54 54 TRP N N 54 120.192 120.192 119.076 1.116 19215 3477 1 12 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.699 -0.044 19215 3478 1 12 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.277 0.366 19215 3479 1 12 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.334 0.831 19215 3480 1 12 . 1 1 54 54 TRP H H 54 7.897 7.897 7.288 0.609 19215 3481 1 12 . 1 1 55 55 LEU N N 55 118.354 118.354 122.293 -3.939 19215 3482 1 12 . 1 1 55 55 LEU HA H 55 4.088 4.088 4.007 0.081 19215 3483 1 12 . 1 1 55 55 LEU C C 55 177.975 177.975 178.903 -0.928 19215 3484 1 12 . 1 1 55 55 LEU CA C 55 56.470 56.470 57.632 -1.162 19215 3485 1 12 . 1 1 55 55 LEU CB C 55 40.898 40.898 40.797 0.101 19215 3486 1 12 . 1 1 55 55 LEU H H 55 7.931 7.931 7.667 0.264 19215 3487 1 12 . 1 1 56 56 TRP N N 56 118.335 118.335 117.715 0.620 19215 3488 1 12 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.240 0.127 19215 3489 1 12 . 1 1 56 56 TRP C C 56 176.863 176.863 178.594 -1.731 19215 3490 1 12 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.227 -1.157 19215 3491 1 12 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.101 -0.262 19215 3492 1 12 . 1 1 56 56 TRP H H 56 7.665 7.665 7.194 0.471 19215 3493 1 12 . 1 1 57 57 TYR N N 57 116.808 116.808 119.658 -2.850 19215 3494 1 12 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.145 0.027 19215 3495 1 12 . 1 1 57 57 TYR C C 57 176.085 176.085 177.596 -1.511 19215 3496 1 12 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.300 -1.435 19215 3497 1 12 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.143 -0.580 19215 3498 1 12 . 1 1 57 57 TYR H H 57 7.578 7.578 7.455 0.123 19215 3499 1 12 . 1 1 58 58 ILE N N 58 115.526 115.526 116.444 -0.918 19215 3500 1 12 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.886 0.379 19215 3501 1 12 . 1 1 58 58 ILE C C 58 174.782 174.782 175.899 -1.117 19215 3502 1 12 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.385 -1.445 19215 3503 1 12 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.558 -0.376 19215 3504 1 12 . 1 1 58 58 ILE H H 58 7.586 7.586 8.252 -0.666 19215 3505 1 13 . 1 1 2 2 TYR N N 2 120.470 120.470 119.400 1.070 19215 3506 1 13 . 1 1 2 2 TYR C C 2 176.535 176.535 175.796 0.739 19215 3507 1 13 . 1 1 2 2 TYR CA C 2 55.995 55.995 56.739 -0.744 19215 3508 1 13 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.953 -2.640 19215 3509 1 13 . 1 1 2 2 TYR H H 2 7.951 7.951 7.750 0.201 19215 3510 1 13 . 1 1 3 3 ILE N N 3 118.307 118.307 119.142 -0.835 19215 3511 1 13 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.495 -2.527 19215 3512 1 13 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.623 1.451 19215 3513 1 13 . 1 1 3 3 ILE H H 3 8.381 8.381 8.218 0.163 19215 3514 1 13 . 1 1 5 5 GLU N N 5 118.785 118.785 121.000 -2.215 19215 3515 1 13 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.371 -0.116 19215 3516 1 13 . 1 1 5 5 GLU C C 5 176.267 176.267 175.816 0.451 19215 3517 1 13 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.338 -0.379 19215 3518 1 13 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.184 -0.150 19215 3519 1 13 . 1 1 5 5 GLU H H 5 7.710 7.710 8.849 -1.139 19215 3520 1 13 . 1 1 6 6 ALA N N 6 131.546 131.546 122.573 8.973 19215 3521 1 13 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.111 -0.536 19215 3522 1 13 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.882 -0.923 19215 3523 1 13 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.139 -2.750 19215 3524 1 13 . 1 1 6 6 ALA H H 6 8.338 8.338 7.966 0.372 19215 3525 1 13 . 1 1 8 8 ARG N N 8 126.915 126.915 123.911 3.004 19215 3526 1 13 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.634 -0.564 19215 3527 1 13 . 1 1 8 8 ARG C C 8 175.110 175.110 175.289 -0.179 19215 3528 1 13 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.240 -0.541 19215 3529 1 13 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.423 -3.345 19215 3530 1 13 . 1 1 8 8 ARG H H 8 8.725 8.725 8.278 0.447 19215 3531 1 13 . 1 1 9 9 ASP N N 9 123.653 123.653 122.884 0.769 19215 3532 1 13 . 1 1 9 9 ASP C C 9 178.015 178.015 176.775 1.240 19215 3533 1 13 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.960 -2.213 19215 3534 1 13 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.490 -0.646 19215 3535 1 13 . 1 1 9 9 ASP H H 9 8.432 8.432 8.826 -0.394 19215 3536 1 13 . 1 1 10 10 GLY N N 10 111.908 111.908 108.202 3.706 19215 3537 1 13 . 1 1 10 10 GLY C C 10 174.822 174.822 175.000 -0.178 19215 3538 1 13 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.454 -0.210 19215 3539 1 13 . 1 1 10 10 GLY H H 10 9.727 9.727 8.465 1.262 19215 3540 1 13 . 1 1 11 11 GLN N N 11 118.395 118.395 120.525 -2.130 19215 3541 1 13 . 1 1 11 11 GLN C C 11 174.711 174.711 174.534 0.177 19215 3542 1 13 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.046 -1.648 19215 3543 1 13 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.734 -0.428 19215 3544 1 13 . 1 1 11 11 GLN H H 11 8.416 8.416 8.084 0.332 19215 3545 1 13 . 1 1 12 12 ALA N N 12 121.020 121.020 122.990 -1.970 19215 3546 1 13 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.342 0.601 19215 3547 1 13 . 1 1 12 12 ALA C C 12 177.990 177.990 175.997 1.993 19215 3548 1 13 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.077 -0.566 19215 3549 1 13 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.785 -0.638 19215 3550 1 13 . 1 1 12 12 ALA H H 12 7.933 7.933 8.439 -0.506 19215 3551 1 13 . 1 1 13 13 TYR N N 13 121.755 121.755 116.886 4.869 19215 3552 1 13 . 1 1 13 13 TYR C C 13 175.519 175.519 173.761 1.758 19215 3553 1 13 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.719 3.371 19215 3554 1 13 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.348 2.832 19215 3555 1 13 . 1 1 13 13 TYR H H 13 9.575 9.575 7.616 1.959 19215 3556 1 13 . 1 1 14 14 VAL N N 14 112.251 112.251 118.797 -6.546 19215 3557 1 13 . 1 1 14 14 VAL C C 14 174.074 174.074 174.227 -0.153 19215 3558 1 13 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.942 -0.852 19215 3559 1 13 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.449 -2.699 19215 3560 1 13 . 1 1 14 14 VAL H H 14 9.659 9.659 8.924 0.735 19215 3561 1 13 . 1 1 15 15 ARG N N 15 124.657 124.657 123.907 0.750 19215 3562 1 13 . 1 1 15 15 ARG C C 15 174.948 174.948 175.705 -0.757 19215 3563 1 13 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.521 -2.001 19215 3564 1 13 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.138 2.395 19215 3565 1 13 . 1 1 15 15 ARG H H 15 8.503 8.503 8.539 -0.036 19215 3566 1 13 . 1 1 16 16 LYS N N 16 128.240 128.240 126.473 1.767 19215 3567 1 13 . 1 1 16 16 LYS C C 16 175.974 175.974 175.028 0.946 19215 3568 1 13 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.751 0.025 19215 3569 1 13 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.957 1.596 19215 3570 1 13 . 1 1 16 16 LYS H H 16 9.052 9.052 8.114 0.938 19215 3571 1 13 . 1 1 17 17 ASP N N 17 130.562 130.562 123.473 7.089 19215 3572 1 13 . 1 1 17 17 ASP C C 17 175.822 175.822 175.652 0.170 19215 3573 1 13 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.946 1.501 19215 3574 1 13 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.889 1.304 19215 3575 1 13 . 1 1 17 17 ASP H H 17 10.886 10.886 8.863 2.023 19215 3576 1 13 . 1 1 18 18 GLY N N 18 104.754 104.754 105.251 -0.497 19215 3577 1 13 . 1 1 18 18 GLY C C 18 173.104 173.104 173.209 -0.105 19215 3578 1 13 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.290 -0.046 19215 3579 1 13 . 1 1 18 18 GLY H H 18 9.353 9.353 8.293 1.060 19215 3580 1 13 . 1 1 19 19 GLU N N 19 117.501 117.501 118.116 -0.615 19215 3581 1 13 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.218 0.430 19215 3582 1 13 . 1 1 19 19 GLU C C 19 176.166 176.166 174.490 1.676 19215 3583 1 13 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.813 0.052 19215 3584 1 13 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.123 0.007 19215 3585 1 13 . 1 1 19 19 GLU H H 19 7.813 7.813 7.768 0.045 19215 3586 1 13 . 1 1 20 20 TRP N N 20 122.768 122.768 122.582 0.186 19215 3587 1 13 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.822 -0.155 19215 3588 1 13 . 1 1 20 20 TRP C C 20 176.302 176.302 176.131 0.171 19215 3589 1 13 . 1 1 20 20 TRP CA C 20 55.878 55.878 57.159 -1.281 19215 3590 1 13 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.525 0.020 19215 3591 1 13 . 1 1 20 20 TRP H H 20 9.094 9.094 8.352 0.742 19215 3592 1 13 . 1 1 21 21 VAL N N 21 123.071 123.071 123.369 -0.298 19215 3593 1 13 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.499 0.486 19215 3594 1 13 . 1 1 21 21 VAL C C 21 175.640 175.640 175.620 0.020 19215 3595 1 13 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.410 -0.873 19215 3596 1 13 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.744 -1.093 19215 3597 1 13 . 1 1 21 21 VAL H H 21 9.868 9.868 8.525 1.343 19215 3598 1 13 . 1 1 22 22 LEU N N 22 127.193 127.193 127.628 -0.435 19215 3599 1 13 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.554 -0.132 19215 3600 1 13 . 1 1 22 22 LEU C C 22 179.268 179.268 178.721 0.547 19215 3601 1 13 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.545 0.089 19215 3602 1 13 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.661 -0.382 19215 3603 1 13 . 1 1 22 22 LEU H H 22 8.812 8.812 8.810 0.002 19215 3604 1 13 . 1 1 23 23 LEU N N 23 126.386 126.386 128.316 -1.930 19215 3605 1 13 . 1 1 23 23 LEU C C 23 178.844 178.844 178.482 0.362 19215 3606 1 13 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.910 -0.507 19215 3607 1 13 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.004 -0.943 19215 3608 1 13 . 1 1 23 23 LEU H H 23 8.562 8.562 8.389 0.173 19215 3609 1 13 . 1 1 24 24 SER N N 24 113.100 113.100 113.927 -0.827 19215 3610 1 13 . 1 1 24 24 SER HA H 24 4.621 4.621 4.050 0.571 19215 3611 1 13 . 1 1 24 24 SER C C 24 176.676 176.676 176.653 0.023 19215 3612 1 13 . 1 1 24 24 SER CA C 24 60.960 60.960 61.359 -0.399 19215 3613 1 13 . 1 1 24 24 SER CB C 24 61.650 61.650 62.503 -0.853 19215 3614 1 13 . 1 1 24 24 SER H H 24 9.098 9.098 8.729 0.369 19215 3615 1 13 . 1 1 25 25 THR N N 25 116.715 116.715 118.950 -2.235 19215 3616 1 13 . 1 1 25 25 THR HA H 25 3.915 3.915 4.022 -0.107 19215 3617 1 13 . 1 1 25 25 THR CA C 25 64.599 64.599 65.613 -1.014 19215 3618 1 13 . 1 1 25 25 THR CB C 25 68.657 68.657 68.775 -0.118 19215 3619 1 13 . 1 1 25 25 THR H H 25 7.238 7.238 7.688 -0.450 19215 3620 1 13 . 1 1 26 26 PHE N N 26 118.488 118.488 119.589 -1.101 19215 3621 1 13 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.411 -0.301 19215 3622 1 13 . 1 1 26 26 PHE C C 26 176.181 176.181 177.131 -0.950 19215 3623 1 13 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.420 -1.793 19215 3624 1 13 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.270 0.523 19215 3625 1 13 . 1 1 26 26 PHE H H 26 7.945 7.945 8.520 -0.575 19215 3626 1 13 . 1 1 27 27 LEU N N 27 118.525 118.525 120.543 -2.018 19215 3627 1 13 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.329 0.194 19215 3628 1 13 . 1 1 27 27 LEU C C 27 177.752 177.752 177.526 0.226 19215 3629 1 13 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.887 -1.208 19215 3630 1 13 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.184 -0.851 19215 3631 1 13 . 1 1 27 27 LEU H H 27 7.290 7.290 7.245 0.045 19215 3632 1 13 . 1 1 28 28 GLY N N 28 108.823 108.823 106.738 2.085 19215 3633 1 13 . 1 1 28 28 GLY C C 28 174.630 174.630 174.363 0.267 19215 3634 1 13 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.619 0.755 19215 3635 1 13 . 1 1 28 28 GLY H H 28 8.242 8.242 7.714 0.528 19215 3636 1 13 . 1 1 29 29 SER N N 29 116.210 116.210 119.629 -3.419 19215 3637 1 13 . 1 1 29 29 SER HA H 29 4.626 4.626 4.097 0.529 19215 3638 1 13 . 1 1 29 29 SER C C 29 175.312 175.312 174.656 0.656 19215 3639 1 13 . 1 1 29 29 SER CA C 29 57.992 57.992 60.546 -2.554 19215 3640 1 13 . 1 1 29 29 SER CB C 29 63.605 63.605 61.968 1.637 19215 3641 1 13 . 1 1 29 29 SER H H 29 8.310 8.310 8.770 -0.460 19215 3642 1 13 . 1 1 30 30 SER N N 30 118.892 118.892 119.701 -0.809 19215 3643 1 13 . 1 1 30 30 SER HA H 30 4.597 4.597 4.488 0.109 19215 3644 1 13 . 1 1 30 30 SER C C 30 175.479 175.479 175.623 -0.144 19215 3645 1 13 . 1 1 30 30 SER CA C 30 58.582 58.582 59.223 -0.641 19215 3646 1 13 . 1 1 30 30 SER CB C 30 63.605 63.605 63.231 0.374 19215 3647 1 13 . 1 1 30 30 SER H H 30 8.593 8.593 8.521 0.072 19215 3648 1 13 . 1 1 31 31 GLY N N 31 111.354 111.354 111.344 0.010 19215 3649 1 13 . 1 1 31 31 GLY C C 31 174.428 174.428 174.044 0.384 19215 3650 1 13 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.358 0.098 19215 3651 1 13 . 1 1 31 31 GLY H H 31 8.584 8.584 7.959 0.625 19215 3652 1 13 . 1 1 32 32 ASN N N 32 119.486 119.486 114.315 5.171 19215 3653 1 13 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.190 0.627 19215 3654 1 13 . 1 1 32 32 ASN C C 32 175.928 175.928 175.624 0.304 19215 3655 1 13 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.226 -1.011 19215 3656 1 13 . 1 1 32 32 ASN CB C 32 38.780 38.780 36.636 2.144 19215 3657 1 13 . 1 1 32 32 ASN H H 32 8.393 8.393 8.267 0.126 19215 3658 1 13 . 1 1 33 33 GLU N N 33 122.031 122.031 117.761 4.270 19215 3659 1 13 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.904 0.367 19215 3660 1 13 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.025 -1.599 19215 3661 1 13 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.285 0.042 19215 3662 1 13 . 1 1 33 33 GLU H H 33 8.711 8.711 7.777 0.934 19215 3663 1 13 . 1 1 34 34 GLN N N 34 120.866 120.866 118.413 2.453 19215 3664 1 13 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.073 0.198 19215 3665 1 13 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.121 -2.895 19215 3666 1 13 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.214 0.625 19215 3667 1 13 . 1 1 34 34 GLN H H 34 8.438 8.438 7.703 0.735 19215 3668 1 13 . 1 1 35 35 GLU N N 35 122.323 122.323 120.665 1.658 19215 3669 1 13 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.095 0.224 19215 3670 1 13 . 1 1 35 35 GLU C C 35 177.176 177.176 179.198 -2.022 19215 3671 1 13 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.122 -2.126 19215 3672 1 13 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.419 0.126 19215 3673 1 13 . 1 1 35 35 GLU H H 35 8.424 8.424 7.749 0.675 19215 3674 1 13 . 1 1 36 36 LEU N N 36 122.904 122.904 117.733 5.171 19215 3675 1 13 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.120 0.199 19215 3676 1 13 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.950 -2.052 19215 3677 1 13 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.346 0.150 19215 3678 1 13 . 1 1 36 36 LEU H H 36 8.342 8.342 7.531 0.811 19215 3679 1 13 . 1 1 38 38 GLU N N 38 121.931 121.931 119.141 2.790 19215 3680 1 13 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.162 0.234 19215 3681 1 13 . 1 1 38 38 GLU C C 38 177.318 177.318 179.351 -2.033 19215 3682 1 13 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.184 -2.817 19215 3683 1 13 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.725 -0.397 19215 3684 1 13 . 1 1 38 38 GLU H H 38 8.342 8.342 7.863 0.479 19215 3685 1 13 . 1 1 39 39 LEU N N 39 123.317 123.317 121.177 2.140 19215 3686 1 13 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.086 0.262 19215 3687 1 13 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.514 -1.681 19215 3688 1 13 . 1 1 39 39 LEU CB C 39 41.387 41.387 42.117 -0.730 19215 3689 1 13 . 1 1 39 39 LEU H H 39 8.342 8.342 8.648 -0.306 19215 3690 1 13 . 1 1 40 40 ASP N N 40 119.726 119.726 118.422 1.304 19215 3691 1 13 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.303 0.268 19215 3692 1 13 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.695 -2.106 19215 3693 1 13 . 1 1 40 40 ASP H H 40 8.530 8.530 8.292 0.238 19215 3694 1 13 . 1 1 41 41 LYS N N 41 121.200 121.200 120.117 1.083 19215 3695 1 13 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.018 0.146 19215 3696 1 13 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.309 -1.089 19215 3697 1 13 . 1 1 41 41 LYS H H 41 8.145 8.145 8.088 0.057 19215 3698 1 13 . 1 1 42 42 TRP N N 42 120.615 120.615 119.387 1.228 19215 3699 1 13 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.448 0.149 19215 3700 1 13 . 1 1 42 42 TRP C C 42 177.641 177.641 178.693 -1.052 19215 3701 1 13 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.362 -1.801 19215 3702 1 13 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.825 0.014 19215 3703 1 13 . 1 1 42 42 TRP H H 42 8.025 8.025 7.723 0.302 19215 3704 1 13 . 1 1 43 43 ALA N N 43 122.056 122.056 121.473 0.583 19215 3705 1 13 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.100 0.040 19215 3706 1 13 . 1 1 43 43 ALA C C 43 172.776 172.776 180.116 -7.340 19215 3707 1 13 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.293 -0.429 19215 3708 1 13 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.993 -0.019 19215 3709 1 13 . 1 1 43 43 ALA H H 43 8.199 8.199 8.110 0.089 19215 3710 1 13 . 1 1 44 44 SER N N 44 113.378 113.378 114.929 -1.551 19215 3711 1 13 . 1 1 44 44 SER HA H 44 4.376 4.376 4.322 0.054 19215 3712 1 13 . 1 1 44 44 SER C C 44 176.767 176.767 176.977 -0.210 19215 3713 1 13 . 1 1 44 44 SER CA C 44 60.980 60.980 61.900 -0.920 19215 3714 1 13 . 1 1 44 44 SER CB C 44 62.410 62.410 62.880 -0.470 19215 3715 1 13 . 1 1 44 44 SER H H 44 8.210 8.210 7.679 0.531 19215 3716 1 13 . 1 1 45 45 LEU N N 45 123.425 123.425 121.615 1.810 19215 3717 1 13 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.028 0.166 19215 3718 1 13 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.856 -0.250 19215 3719 1 13 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.833 -0.663 19215 3720 1 13 . 1 1 45 45 LEU H H 45 7.906 7.906 7.709 0.197 19215 3721 1 13 . 1 1 46 46 TRP N N 46 118.572 118.572 120.205 -1.633 19215 3722 1 13 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.493 0.162 19215 3723 1 13 . 1 1 46 46 TRP C C 46 177.838 177.838 177.203 0.635 19215 3724 1 13 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.426 -2.519 19215 3725 1 13 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.515 -0.296 19215 3726 1 13 . 1 1 46 46 TRP H H 46 8.043 8.043 8.602 -0.559 19215 3727 1 13 . 1 1 47 47 ASN N N 47 116.564 116.564 117.244 -0.680 19215 3728 1 13 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.739 -0.113 19215 3729 1 13 . 1 1 47 47 ASN C C 47 176.904 176.904 177.881 -0.977 19215 3730 1 13 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.879 -0.834 19215 3731 1 13 . 1 1 47 47 ASN CB C 47 38.563 38.563 39.208 -0.645 19215 3732 1 13 . 1 1 47 47 ASN H H 47 8.174 8.174 8.412 -0.238 19215 3733 1 13 . 1 1 48 48 TRP N N 48 121.421 121.421 122.468 -1.047 19215 3734 1 13 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.521 -0.154 19215 3735 1 13 . 1 1 48 48 TRP CA C 48 59.517 59.517 59.336 0.181 19215 3736 1 13 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.531 0.362 19215 3737 1 13 . 1 1 48 48 TRP H H 48 8.145 8.145 8.388 -0.243 19215 3738 1 13 . 1 1 49 49 PHE N N 49 118.299 118.299 119.369 -1.070 19215 3739 1 13 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.014 0.238 19215 3740 1 13 . 1 1 49 49 PHE C C 49 175.565 175.565 176.773 -1.208 19215 3741 1 13 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.898 -1.011 19215 3742 1 13 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.780 0.891 19215 3743 1 13 . 1 1 49 49 PHE H H 49 8.036 8.036 8.083 -0.047 19215 3744 1 13 . 1 1 50 50 ASN N N 50 118.836 118.836 119.044 -0.208 19215 3745 1 13 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.071 0.555 19215 3746 1 13 . 1 1 50 50 ASN C C 50 176.439 176.439 176.461 -0.022 19215 3747 1 13 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.886 -1.671 19215 3748 1 13 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.409 -0.281 19215 3749 1 13 . 1 1 50 50 ASN H H 50 7.795 7.795 7.407 0.388 19215 3750 1 13 . 1 1 51 51 ILE N N 51 120.218 120.218 117.075 3.143 19215 3751 1 13 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.190 -0.399 19215 3752 1 13 . 1 1 51 51 ILE C C 51 177.202 177.202 177.074 0.128 19215 3753 1 13 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.618 -1.516 19215 3754 1 13 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.553 0.814 19215 3755 1 13 . 1 1 51 51 ILE H H 51 8.147 8.147 7.570 0.577 19215 3756 1 13 . 1 1 52 52 THR N N 52 115.352 115.352 111.471 3.881 19215 3757 1 13 . 1 1 52 52 THR HA H 52 4.031 4.031 4.089 -0.058 19215 3758 1 13 . 1 1 52 52 THR C C 52 176.095 176.095 176.437 -0.342 19215 3759 1 13 . 1 1 52 52 THR CA C 52 65.148 65.148 64.967 0.181 19215 3760 1 13 . 1 1 52 52 THR CB C 52 68.277 68.277 69.163 -0.886 19215 3761 1 13 . 1 1 52 52 THR H H 52 8.009 8.009 7.670 0.339 19215 3762 1 13 . 1 1 53 53 ASN N N 53 119.874 119.874 121.666 -1.792 19215 3763 1 13 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.602 0.034 19215 3764 1 13 . 1 1 53 53 ASN C C 53 176.530 176.530 177.590 -1.060 19215 3765 1 13 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.051 -1.594 19215 3766 1 13 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.779 0.023 19215 3767 1 13 . 1 1 53 53 ASN H H 53 7.972 7.972 8.082 -0.110 19215 3768 1 13 . 1 1 54 54 TRP N N 54 120.192 120.192 118.946 1.246 19215 3769 1 13 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.699 -0.044 19215 3770 1 13 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.223 0.420 19215 3771 1 13 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.193 0.972 19215 3772 1 13 . 1 1 54 54 TRP H H 54 7.897 7.897 7.260 0.637 19215 3773 1 13 . 1 1 55 55 LEU N N 55 118.354 118.354 122.643 -4.289 19215 3774 1 13 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.993 0.095 19215 3775 1 13 . 1 1 55 55 LEU C C 55 177.975 177.975 178.757 -0.782 19215 3776 1 13 . 1 1 55 55 LEU CA C 55 56.470 56.470 57.863 -1.393 19215 3777 1 13 . 1 1 55 55 LEU CB C 55 40.898 40.898 40.825 0.073 19215 3778 1 13 . 1 1 55 55 LEU H H 55 7.931 7.931 7.715 0.216 19215 3779 1 13 . 1 1 56 56 TRP N N 56 118.335 118.335 117.745 0.590 19215 3780 1 13 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.241 0.126 19215 3781 1 13 . 1 1 56 56 TRP C C 56 176.863 176.863 178.663 -1.800 19215 3782 1 13 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.384 -1.314 19215 3783 1 13 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.083 -0.244 19215 3784 1 13 . 1 1 56 56 TRP H H 56 7.665 7.665 7.210 0.455 19215 3785 1 13 . 1 1 57 57 TYR N N 57 116.808 116.808 119.824 -3.016 19215 3786 1 13 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.160 0.012 19215 3787 1 13 . 1 1 57 57 TYR C C 57 176.085 176.085 177.698 -1.613 19215 3788 1 13 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.505 -1.640 19215 3789 1 13 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.115 -0.553 19215 3790 1 13 . 1 1 57 57 TYR H H 57 7.578 7.578 7.494 0.084 19215 3791 1 13 . 1 1 58 58 ILE N N 58 115.526 115.526 116.465 -0.939 19215 3792 1 13 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.901 0.364 19215 3793 1 13 . 1 1 58 58 ILE C C 58 174.782 174.782 175.907 -1.125 19215 3794 1 13 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.348 -1.408 19215 3795 1 13 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.591 -0.409 19215 3796 1 13 . 1 1 58 58 ILE H H 58 7.586 7.586 8.357 -0.771 19215 3797 1 14 . 1 1 2 2 TYR N N 2 120.470 120.470 119.216 1.254 19215 3798 1 14 . 1 1 2 2 TYR C C 2 176.535 176.535 175.597 0.938 19215 3799 1 14 . 1 1 2 2 TYR CA C 2 55.995 55.995 56.770 -0.775 19215 3800 1 14 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.828 -2.515 19215 3801 1 14 . 1 1 2 2 TYR H H 2 7.951 7.951 7.735 0.216 19215 3802 1 14 . 1 1 3 3 ILE N N 3 118.307 118.307 118.929 -0.622 19215 3803 1 14 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.468 -2.500 19215 3804 1 14 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.636 1.438 19215 3805 1 14 . 1 1 3 3 ILE H H 3 8.381 8.381 8.209 0.172 19215 3806 1 14 . 1 1 5 5 GLU N N 5 118.785 118.785 121.115 -2.330 19215 3807 1 14 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.369 -0.114 19215 3808 1 14 . 1 1 5 5 GLU C C 5 176.267 176.267 175.820 0.447 19215 3809 1 14 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.330 -0.371 19215 3810 1 14 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.185 -0.151 19215 3811 1 14 . 1 1 5 5 GLU H H 5 7.710 7.710 8.784 -1.074 19215 3812 1 14 . 1 1 6 6 ALA N N 6 131.546 131.546 122.550 8.996 19215 3813 1 14 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.100 -0.525 19215 3814 1 14 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.860 -0.901 19215 3815 1 14 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.146 -2.757 19215 3816 1 14 . 1 1 6 6 ALA H H 6 8.338 8.338 7.930 0.408 19215 3817 1 14 . 1 1 8 8 ARG N N 8 126.915 126.915 123.393 3.522 19215 3818 1 14 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.601 -0.531 19215 3819 1 14 . 1 1 8 8 ARG C C 8 175.110 175.110 175.091 0.019 19215 3820 1 14 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.306 -0.607 19215 3821 1 14 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.844 -2.766 19215 3822 1 14 . 1 1 8 8 ARG H H 8 8.725 8.725 8.224 0.501 19215 3823 1 14 . 1 1 9 9 ASP N N 9 123.653 123.653 122.963 0.690 19215 3824 1 14 . 1 1 9 9 ASP C C 9 178.015 178.015 176.756 1.259 19215 3825 1 14 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.940 -2.193 19215 3826 1 14 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.487 -0.643 19215 3827 1 14 . 1 1 9 9 ASP H H 9 8.432 8.432 8.821 -0.389 19215 3828 1 14 . 1 1 10 10 GLY N N 10 111.908 111.908 108.247 3.661 19215 3829 1 14 . 1 1 10 10 GLY C C 10 174.822 174.822 175.010 -0.188 19215 3830 1 14 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.440 -0.195 19215 3831 1 14 . 1 1 10 10 GLY H H 10 9.727 9.727 8.432 1.295 19215 3832 1 14 . 1 1 11 11 GLN N N 11 118.395 118.395 120.591 -2.196 19215 3833 1 14 . 1 1 11 11 GLN C C 11 174.711 174.711 174.552 0.159 19215 3834 1 14 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.090 -1.692 19215 3835 1 14 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.745 -0.439 19215 3836 1 14 . 1 1 11 11 GLN H H 11 8.416 8.416 8.074 0.342 19215 3837 1 14 . 1 1 12 12 ALA N N 12 121.020 121.020 123.613 -2.593 19215 3838 1 14 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.372 0.571 19215 3839 1 14 . 1 1 12 12 ALA C C 12 177.990 177.990 176.280 1.710 19215 3840 1 14 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.085 -0.574 19215 3841 1 14 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.576 -0.429 19215 3842 1 14 . 1 1 12 12 ALA H H 12 7.933 7.933 8.438 -0.505 19215 3843 1 14 . 1 1 13 13 TYR N N 13 121.755 121.755 117.588 4.167 19215 3844 1 14 . 1 1 13 13 TYR C C 13 175.519 175.519 173.871 1.648 19215 3845 1 14 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.599 3.490 19215 3846 1 14 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.428 2.752 19215 3847 1 14 . 1 1 13 13 TYR H H 13 9.575 9.575 7.638 1.937 19215 3848 1 14 . 1 1 14 14 VAL N N 14 112.251 112.251 118.877 -6.626 19215 3849 1 14 . 1 1 14 14 VAL C C 14 174.074 174.074 174.351 -0.277 19215 3850 1 14 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.747 -0.657 19215 3851 1 14 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.471 -2.721 19215 3852 1 14 . 1 1 14 14 VAL H H 14 9.659 9.659 8.902 0.757 19215 3853 1 14 . 1 1 15 15 ARG N N 15 124.657 124.657 124.066 0.591 19215 3854 1 14 . 1 1 15 15 ARG C C 15 174.948 174.948 175.751 -0.803 19215 3855 1 14 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.466 -1.946 19215 3856 1 14 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.082 2.451 19215 3857 1 14 . 1 1 15 15 ARG H H 15 8.503 8.503 8.551 -0.048 19215 3858 1 14 . 1 1 16 16 LYS N N 16 128.240 128.240 126.627 1.613 19215 3859 1 14 . 1 1 16 16 LYS C C 16 175.974 175.974 175.027 0.947 19215 3860 1 14 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.813 -0.037 19215 3861 1 14 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.848 1.705 19215 3862 1 14 . 1 1 16 16 LYS H H 16 9.052 9.052 8.106 0.946 19215 3863 1 14 . 1 1 17 17 ASP N N 17 130.562 130.562 123.592 6.970 19215 3864 1 14 . 1 1 17 17 ASP C C 17 175.822 175.822 175.666 0.156 19215 3865 1 14 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.891 1.556 19215 3866 1 14 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.918 1.274 19215 3867 1 14 . 1 1 17 17 ASP H H 17 10.886 10.886 8.861 2.026 19215 3868 1 14 . 1 1 18 18 GLY N N 18 104.754 104.754 105.270 -0.516 19215 3869 1 14 . 1 1 18 18 GLY C C 18 173.104 173.104 173.180 -0.076 19215 3870 1 14 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.256 -0.012 19215 3871 1 14 . 1 1 18 18 GLY H H 18 9.353 9.353 8.294 1.059 19215 3872 1 14 . 1 1 19 19 GLU N N 19 117.501 117.501 118.108 -0.607 19215 3873 1 14 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.118 0.530 19215 3874 1 14 . 1 1 19 19 GLU C C 19 176.166 176.166 174.465 1.701 19215 3875 1 14 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.747 0.118 19215 3876 1 14 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.052 0.078 19215 3877 1 14 . 1 1 19 19 GLU H H 19 7.813 7.813 7.679 0.134 19215 3878 1 14 . 1 1 20 20 TRP N N 20 122.768 122.768 122.749 0.019 19215 3879 1 14 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.817 -0.150 19215 3880 1 14 . 1 1 20 20 TRP C C 20 176.302 176.302 176.001 0.301 19215 3881 1 14 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.982 -1.104 19215 3882 1 14 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.392 0.153 19215 3883 1 14 . 1 1 20 20 TRP H H 20 9.094 9.094 8.198 0.896 19215 3884 1 14 . 1 1 21 21 VAL N N 21 123.071 123.071 123.618 -0.547 19215 3885 1 14 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.497 0.488 19215 3886 1 14 . 1 1 21 21 VAL C C 21 175.640 175.640 175.591 0.049 19215 3887 1 14 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.448 -0.911 19215 3888 1 14 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.832 -1.181 19215 3889 1 14 . 1 1 21 21 VAL H H 21 9.868 9.868 8.506 1.362 19215 3890 1 14 . 1 1 22 22 LEU N N 22 127.193 127.193 127.555 -0.362 19215 3891 1 14 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.516 -0.094 19215 3892 1 14 . 1 1 22 22 LEU C C 22 179.268 179.268 178.744 0.524 19215 3893 1 14 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.606 0.028 19215 3894 1 14 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.621 -0.342 19215 3895 1 14 . 1 1 22 22 LEU H H 22 8.812 8.812 8.809 0.003 19215 3896 1 14 . 1 1 23 23 LEU N N 23 126.386 126.386 128.256 -1.870 19215 3897 1 14 . 1 1 23 23 LEU C C 23 178.844 178.844 178.434 0.410 19215 3898 1 14 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.907 -0.504 19215 3899 1 14 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.017 -0.956 19215 3900 1 14 . 1 1 23 23 LEU H H 23 8.562 8.562 8.306 0.256 19215 3901 1 14 . 1 1 24 24 SER N N 24 113.100 113.100 114.097 -0.997 19215 3902 1 14 . 1 1 24 24 SER HA H 24 4.621 4.621 4.078 0.543 19215 3903 1 14 . 1 1 24 24 SER C C 24 176.676 176.676 176.443 0.233 19215 3904 1 14 . 1 1 24 24 SER CA C 24 60.960 60.960 61.293 -0.333 19215 3905 1 14 . 1 1 24 24 SER CB C 24 61.650 61.650 62.479 -0.829 19215 3906 1 14 . 1 1 24 24 SER H H 24 9.098 9.098 8.756 0.342 19215 3907 1 14 . 1 1 25 25 THR N N 25 116.715 116.715 118.901 -2.186 19215 3908 1 14 . 1 1 25 25 THR HA H 25 3.915 3.915 4.062 -0.147 19215 3909 1 14 . 1 1 25 25 THR CA C 25 64.599 64.599 65.566 -0.967 19215 3910 1 14 . 1 1 25 25 THR CB C 25 68.657 68.657 68.859 -0.202 19215 3911 1 14 . 1 1 25 25 THR H H 25 7.238 7.238 7.741 -0.503 19215 3912 1 14 . 1 1 26 26 PHE N N 26 118.488 118.488 119.254 -0.766 19215 3913 1 14 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.498 -0.388 19215 3914 1 14 . 1 1 26 26 PHE C C 26 176.181 176.181 176.942 -0.761 19215 3915 1 14 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.149 -1.522 19215 3916 1 14 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.552 0.241 19215 3917 1 14 . 1 1 26 26 PHE H H 26 7.945 7.945 8.619 -0.674 19215 3918 1 14 . 1 1 27 27 LEU N N 27 118.525 118.525 120.885 -2.360 19215 3919 1 14 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.336 0.187 19215 3920 1 14 . 1 1 27 27 LEU C C 27 177.752 177.752 177.422 0.330 19215 3921 1 14 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.628 -0.949 19215 3922 1 14 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.688 -1.355 19215 3923 1 14 . 1 1 27 27 LEU H H 27 7.290 7.290 7.273 0.017 19215 3924 1 14 . 1 1 28 28 GLY N N 28 108.823 108.823 106.647 2.176 19215 3925 1 14 . 1 1 28 28 GLY C C 28 174.630 174.630 173.852 0.778 19215 3926 1 14 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.830 0.544 19215 3927 1 14 . 1 1 28 28 GLY H H 28 8.242 8.242 7.765 0.477 19215 3928 1 14 . 1 1 29 29 SER N N 29 116.210 116.210 118.281 -2.071 19215 3929 1 14 . 1 1 29 29 SER HA H 29 4.626 4.626 4.088 0.538 19215 3930 1 14 . 1 1 29 29 SER C C 29 175.312 175.312 174.383 0.929 19215 3931 1 14 . 1 1 29 29 SER CA C 29 57.992 57.992 60.229 -2.237 19215 3932 1 14 . 1 1 29 29 SER CB C 29 63.605 63.605 61.879 1.726 19215 3933 1 14 . 1 1 29 29 SER H H 29 8.310 8.310 8.615 -0.305 19215 3934 1 14 . 1 1 30 30 SER N N 30 118.892 118.892 118.301 0.591 19215 3935 1 14 . 1 1 30 30 SER HA H 30 4.597 4.597 4.518 0.079 19215 3936 1 14 . 1 1 30 30 SER C C 30 175.479 175.479 176.025 -0.546 19215 3937 1 14 . 1 1 30 30 SER CA C 30 58.582 58.582 59.016 -0.434 19215 3938 1 14 . 1 1 30 30 SER CB C 30 63.605 63.605 63.279 0.327 19215 3939 1 14 . 1 1 30 30 SER H H 30 8.593 8.593 8.566 0.027 19215 3940 1 14 . 1 1 31 31 GLY N N 31 111.354 111.354 110.654 0.700 19215 3941 1 14 . 1 1 31 31 GLY C C 31 174.428 174.428 174.145 0.283 19215 3942 1 14 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.524 -0.068 19215 3943 1 14 . 1 1 31 31 GLY H H 31 8.584 8.584 7.578 1.006 19215 3944 1 14 . 1 1 32 32 ASN N N 32 119.486 119.486 112.651 6.835 19215 3945 1 14 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.182 0.635 19215 3946 1 14 . 1 1 32 32 ASN C C 32 175.928 175.928 176.245 -0.317 19215 3947 1 14 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.102 -0.887 19215 3948 1 14 . 1 1 32 32 ASN CB C 32 38.780 38.780 36.315 2.466 19215 3949 1 14 . 1 1 32 32 ASN H H 32 8.393 8.393 8.239 0.154 19215 3950 1 14 . 1 1 33 33 GLU N N 33 122.031 122.031 117.834 4.197 19215 3951 1 14 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.902 0.369 19215 3952 1 14 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.887 -1.461 19215 3953 1 14 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.100 0.228 19215 3954 1 14 . 1 1 33 33 GLU H H 33 8.711 8.711 7.823 0.888 19215 3955 1 14 . 1 1 34 34 GLN N N 34 120.866 120.866 118.562 2.304 19215 3956 1 14 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.080 0.191 19215 3957 1 14 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.925 -2.699 19215 3958 1 14 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.180 0.659 19215 3959 1 14 . 1 1 34 34 GLN H H 34 8.438 8.438 7.687 0.751 19215 3960 1 14 . 1 1 35 35 GLU N N 35 122.323 122.323 120.587 1.736 19215 3961 1 14 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.167 0.152 19215 3962 1 14 . 1 1 35 35 GLU C C 35 177.176 177.176 179.460 -2.284 19215 3963 1 14 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.793 -1.797 19215 3964 1 14 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.409 0.136 19215 3965 1 14 . 1 1 35 35 GLU H H 35 8.424 8.424 7.835 0.589 19215 3966 1 14 . 1 1 36 36 LEU N N 36 122.904 122.904 118.416 4.488 19215 3967 1 14 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.139 0.180 19215 3968 1 14 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.446 -1.548 19215 3969 1 14 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.822 -0.326 19215 3970 1 14 . 1 1 36 36 LEU H H 36 8.342 8.342 7.562 0.780 19215 3971 1 14 . 1 1 38 38 GLU N N 38 121.931 121.931 120.324 1.607 19215 3972 1 14 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.234 0.162 19215 3973 1 14 . 1 1 38 38 GLU C C 38 177.318 177.318 179.319 -2.001 19215 3974 1 14 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.299 -2.933 19215 3975 1 14 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.756 -0.428 19215 3976 1 14 . 1 1 38 38 GLU H H 38 8.342 8.342 8.060 0.282 19215 3977 1 14 . 1 1 39 39 LEU N N 39 123.317 123.317 121.586 1.731 19215 3978 1 14 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.097 0.251 19215 3979 1 14 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.576 -1.743 19215 3980 1 14 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.884 -0.497 19215 3981 1 14 . 1 1 39 39 LEU H H 39 8.342 8.342 7.906 0.436 19215 3982 1 14 . 1 1 40 40 ASP N N 40 119.726 119.726 118.004 1.722 19215 3983 1 14 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.298 0.273 19215 3984 1 14 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.571 -1.982 19215 3985 1 14 . 1 1 40 40 ASP H H 40 8.530 8.530 8.563 -0.033 19215 3986 1 14 . 1 1 41 41 LYS N N 41 121.200 121.200 120.252 0.948 19215 3987 1 14 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.022 0.142 19215 3988 1 14 . 1 1 41 41 LYS CA C 41 58.220 58.220 59.329 -1.109 19215 3989 1 14 . 1 1 41 41 LYS H H 41 8.145 8.145 8.089 0.056 19215 3990 1 14 . 1 1 42 42 TRP N N 42 120.615 120.615 119.478 1.137 19215 3991 1 14 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.435 0.162 19215 3992 1 14 . 1 1 42 42 TRP C C 42 177.641 177.641 178.710 -1.069 19215 3993 1 14 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.405 -1.844 19215 3994 1 14 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.880 -0.041 19215 3995 1 14 . 1 1 42 42 TRP H H 42 8.025 8.025 7.763 0.262 19215 3996 1 14 . 1 1 43 43 ALA N N 43 122.056 122.056 121.402 0.654 19215 3997 1 14 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.095 0.045 19215 3998 1 14 . 1 1 43 43 ALA C C 43 172.776 172.776 180.097 -7.321 19215 3999 1 14 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.287 -0.423 19215 4000 1 14 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.005 -0.031 19215 4001 1 14 . 1 1 43 43 ALA H H 43 8.199 8.199 8.123 0.076 19215 4002 1 14 . 1 1 44 44 SER N N 44 113.378 113.378 114.905 -1.527 19215 4003 1 14 . 1 1 44 44 SER HA H 44 4.376 4.376 4.328 0.048 19215 4004 1 14 . 1 1 44 44 SER C C 44 176.767 176.767 176.968 -0.201 19215 4005 1 14 . 1 1 44 44 SER CA C 44 60.980 60.980 61.825 -0.845 19215 4006 1 14 . 1 1 44 44 SER CB C 44 62.410 62.410 62.842 -0.432 19215 4007 1 14 . 1 1 44 44 SER H H 44 8.210 8.210 7.677 0.533 19215 4008 1 14 . 1 1 45 45 LEU N N 45 123.425 123.425 121.513 1.912 19215 4009 1 14 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.028 0.166 19215 4010 1 14 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.861 -0.255 19215 4011 1 14 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.815 -0.645 19215 4012 1 14 . 1 1 45 45 LEU H H 45 7.906 7.906 7.657 0.249 19215 4013 1 14 . 1 1 46 46 TRP N N 46 118.572 118.572 120.142 -1.570 19215 4014 1 14 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.501 0.154 19215 4015 1 14 . 1 1 46 46 TRP C C 46 177.838 177.838 177.185 0.653 19215 4016 1 14 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.382 -2.475 19215 4017 1 14 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.558 -0.339 19215 4018 1 14 . 1 1 46 46 TRP H H 46 8.043 8.043 8.541 -0.498 19215 4019 1 14 . 1 1 47 47 ASN N N 47 116.564 116.564 117.285 -0.721 19215 4020 1 14 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.738 -0.112 19215 4021 1 14 . 1 1 47 47 ASN C C 47 176.904 176.904 177.909 -1.005 19215 4022 1 14 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.897 -0.852 19215 4023 1 14 . 1 1 47 47 ASN CB C 47 38.563 38.563 39.195 -0.632 19215 4024 1 14 . 1 1 47 47 ASN H H 47 8.174 8.174 8.435 -0.261 19215 4025 1 14 . 1 1 48 48 TRP N N 48 121.421 121.421 122.440 -1.019 19215 4026 1 14 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.517 -0.150 19215 4027 1 14 . 1 1 48 48 TRP CA C 48 59.517 59.517 59.397 0.120 19215 4028 1 14 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.385 0.508 19215 4029 1 14 . 1 1 48 48 TRP H H 48 8.145 8.145 8.435 -0.290 19215 4030 1 14 . 1 1 49 49 PHE N N 49 118.299 118.299 119.087 -0.788 19215 4031 1 14 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.005 0.246 19215 4032 1 14 . 1 1 49 49 PHE C C 49 175.565 175.565 176.776 -1.211 19215 4033 1 14 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.815 -0.928 19215 4034 1 14 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.838 0.833 19215 4035 1 14 . 1 1 49 49 PHE H H 49 8.036 8.036 8.061 -0.025 19215 4036 1 14 . 1 1 50 50 ASN N N 50 118.836 118.836 118.935 -0.099 19215 4037 1 14 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.045 0.581 19215 4038 1 14 . 1 1 50 50 ASN C C 50 176.439 176.439 176.483 -0.044 19215 4039 1 14 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.992 -1.777 19215 4040 1 14 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.370 -0.242 19215 4041 1 14 . 1 1 50 50 ASN H H 50 7.795 7.795 7.364 0.431 19215 4042 1 14 . 1 1 51 51 ILE N N 51 120.218 120.218 116.885 3.333 19215 4043 1 14 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.176 -0.385 19215 4044 1 14 . 1 1 51 51 ILE C C 51 177.202 177.202 177.018 0.184 19215 4045 1 14 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.513 -1.411 19215 4046 1 14 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.564 0.803 19215 4047 1 14 . 1 1 51 51 ILE H H 51 8.147 8.147 7.468 0.679 19215 4048 1 14 . 1 1 52 52 THR N N 52 115.352 115.352 111.394 3.958 19215 4049 1 14 . 1 1 52 52 THR HA H 52 4.031 4.031 4.118 -0.087 19215 4050 1 14 . 1 1 52 52 THR C C 52 176.095 176.095 176.459 -0.364 19215 4051 1 14 . 1 1 52 52 THR CA C 52 65.148 65.148 64.797 0.351 19215 4052 1 14 . 1 1 52 52 THR CB C 52 68.277 68.277 69.262 -0.985 19215 4053 1 14 . 1 1 52 52 THR H H 52 8.009 8.009 7.659 0.350 19215 4054 1 14 . 1 1 53 53 ASN N N 53 119.874 119.874 121.651 -1.777 19215 4055 1 14 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.590 0.046 19215 4056 1 14 . 1 1 53 53 ASN C C 53 176.530 176.530 177.620 -1.090 19215 4057 1 14 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.055 -1.598 19215 4058 1 14 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.782 0.020 19215 4059 1 14 . 1 1 53 53 ASN H H 53 7.972 7.972 8.163 -0.191 19215 4060 1 14 . 1 1 54 54 TRP N N 54 120.192 120.192 118.927 1.265 19215 4061 1 14 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.707 -0.052 19215 4062 1 14 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.182 0.461 19215 4063 1 14 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.180 0.986 19215 4064 1 14 . 1 1 54 54 TRP H H 54 7.897 7.897 7.243 0.654 19215 4065 1 14 . 1 1 55 55 LEU N N 55 118.354 118.354 122.599 -4.245 19215 4066 1 14 . 1 1 55 55 LEU HA H 55 4.088 4.088 4.020 0.068 19215 4067 1 14 . 1 1 55 55 LEU C C 55 177.975 177.975 178.785 -0.810 19215 4068 1 14 . 1 1 55 55 LEU CA C 55 56.470 56.470 57.826 -1.356 19215 4069 1 14 . 1 1 55 55 LEU CB C 55 40.898 40.898 40.854 0.044 19215 4070 1 14 . 1 1 55 55 LEU H H 55 7.931 7.931 7.776 0.155 19215 4071 1 14 . 1 1 56 56 TRP N N 56 118.335 118.335 117.730 0.605 19215 4072 1 14 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.247 0.120 19215 4073 1 14 . 1 1 56 56 TRP C C 56 176.863 176.863 178.638 -1.775 19215 4074 1 14 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.336 -1.266 19215 4075 1 14 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.099 -0.260 19215 4076 1 14 . 1 1 56 56 TRP H H 56 7.665 7.665 7.196 0.469 19215 4077 1 14 . 1 1 57 57 TYR N N 57 116.808 116.808 119.595 -2.787 19215 4078 1 14 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.171 0.001 19215 4079 1 14 . 1 1 57 57 TYR C C 57 176.085 176.085 177.732 -1.647 19215 4080 1 14 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.484 -1.619 19215 4081 1 14 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.124 -0.561 19215 4082 1 14 . 1 1 57 57 TYR H H 57 7.578 7.578 7.492 0.086 19215 4083 1 14 . 1 1 58 58 ILE N N 58 115.526 115.526 116.473 -0.947 19215 4084 1 14 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.876 0.389 19215 4085 1 14 . 1 1 58 58 ILE C C 58 174.782 174.782 175.878 -1.096 19215 4086 1 14 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.338 -1.398 19215 4087 1 14 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.579 -0.397 19215 4088 1 14 . 1 1 58 58 ILE H H 58 7.586 7.586 8.387 -0.801 19215 4089 1 15 . 1 1 2 2 TYR N N 2 120.470 120.470 122.200 -1.730 19215 4090 1 15 . 1 1 2 2 TYR C C 2 176.535 176.535 176.172 0.363 19215 4091 1 15 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.079 -1.084 19215 4092 1 15 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.366 -2.053 19215 4093 1 15 . 1 1 2 2 TYR H H 2 7.951 7.951 7.844 0.107 19215 4094 1 15 . 1 1 3 3 ILE N N 3 118.307 118.307 123.247 -4.940 19215 4095 1 15 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.732 -2.764 19215 4096 1 15 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.284 1.790 19215 4097 1 15 . 1 1 3 3 ILE H H 3 8.381 8.381 8.352 0.029 19215 4098 1 15 . 1 1 5 5 GLU N N 5 118.785 118.785 121.872 -3.087 19215 4099 1 15 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.337 -0.082 19215 4100 1 15 . 1 1 5 5 GLU C C 5 176.267 176.267 175.929 0.338 19215 4101 1 15 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.286 -0.327 19215 4102 1 15 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.338 -0.304 19215 4103 1 15 . 1 1 5 5 GLU H H 5 7.710 7.710 8.855 -1.145 19215 4104 1 15 . 1 1 6 6 ALA N N 6 131.546 131.546 120.963 10.583 19215 4105 1 15 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.093 -0.518 19215 4106 1 15 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.826 -0.867 19215 4107 1 15 . 1 1 6 6 ALA CB C 6 14.389 14.389 16.749 -2.360 19215 4108 1 15 . 1 1 6 6 ALA H H 6 8.338 8.338 7.970 0.368 19215 4109 1 15 . 1 1 8 8 ARG N N 8 126.915 126.915 124.399 2.516 19215 4110 1 15 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.582 -0.512 19215 4111 1 15 . 1 1 8 8 ARG C C 8 175.110 175.110 174.929 0.181 19215 4112 1 15 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.489 -0.790 19215 4113 1 15 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.349 -2.271 19215 4114 1 15 . 1 1 8 8 ARG H H 8 8.725 8.725 8.373 0.352 19215 4115 1 15 . 1 1 9 9 ASP N N 9 123.653 123.653 124.401 -0.748 19215 4116 1 15 . 1 1 9 9 ASP C C 9 178.015 178.015 177.150 0.865 19215 4117 1 15 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.513 -1.766 19215 4118 1 15 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.584 -0.740 19215 4119 1 15 . 1 1 9 9 ASP H H 9 8.432 8.432 8.720 -0.288 19215 4120 1 15 . 1 1 10 10 GLY N N 10 111.908 111.908 108.155 3.753 19215 4121 1 15 . 1 1 10 10 GLY C C 10 174.822 174.822 174.720 0.102 19215 4122 1 15 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.520 -0.276 19215 4123 1 15 . 1 1 10 10 GLY H H 10 9.727 9.727 8.416 1.311 19215 4124 1 15 . 1 1 11 11 GLN N N 11 118.395 118.395 119.478 -1.083 19215 4125 1 15 . 1 1 11 11 GLN C C 11 174.711 174.711 174.778 -0.067 19215 4126 1 15 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.934 -1.536 19215 4127 1 15 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.000 0.306 19215 4128 1 15 . 1 1 11 11 GLN H H 11 8.416 8.416 8.025 0.391 19215 4129 1 15 . 1 1 12 12 ALA N N 12 121.020 121.020 125.055 -4.035 19215 4130 1 15 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.451 0.492 19215 4131 1 15 . 1 1 12 12 ALA C C 12 177.990 177.990 175.981 2.009 19215 4132 1 15 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.378 -0.867 19215 4133 1 15 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.142 0.005 19215 4134 1 15 . 1 1 12 12 ALA H H 12 7.933 7.933 8.378 -0.445 19215 4135 1 15 . 1 1 13 13 TYR N N 13 121.755 121.755 118.044 3.711 19215 4136 1 15 . 1 1 13 13 TYR C C 13 175.519 175.519 173.556 1.963 19215 4137 1 15 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.672 3.418 19215 4138 1 15 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.719 2.461 19215 4139 1 15 . 1 1 13 13 TYR H H 13 9.575 9.575 7.518 2.057 19215 4140 1 15 . 1 1 14 14 VAL N N 14 112.251 112.251 119.533 -7.282 19215 4141 1 15 . 1 1 14 14 VAL C C 14 174.074 174.074 174.366 -0.292 19215 4142 1 15 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.230 -0.140 19215 4143 1 15 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.502 -2.752 19215 4144 1 15 . 1 1 14 14 VAL H H 14 9.659 9.659 9.255 0.404 19215 4145 1 15 . 1 1 15 15 ARG N N 15 124.657 124.657 122.607 2.050 19215 4146 1 15 . 1 1 15 15 ARG C C 15 174.948 174.948 175.812 -0.864 19215 4147 1 15 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.037 -1.517 19215 4148 1 15 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.852 1.681 19215 4149 1 15 . 1 1 15 15 ARG H H 15 8.503 8.503 8.511 -0.008 19215 4150 1 15 . 1 1 16 16 LYS N N 16 128.240 128.240 125.617 2.623 19215 4151 1 15 . 1 1 16 16 LYS C C 16 175.974 175.974 175.338 0.636 19215 4152 1 15 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.732 0.044 19215 4153 1 15 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.551 2.002 19215 4154 1 15 . 1 1 16 16 LYS H H 16 9.052 9.052 8.125 0.927 19215 4155 1 15 . 1 1 17 17 ASP N N 17 130.562 130.562 124.872 5.690 19215 4156 1 15 . 1 1 17 17 ASP C C 17 175.822 175.822 175.386 0.436 19215 4157 1 15 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.296 1.151 19215 4158 1 15 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.113 0.079 19215 4159 1 15 . 1 1 17 17 ASP H H 17 10.886 10.886 8.833 2.053 19215 4160 1 15 . 1 1 18 18 GLY N N 18 104.754 104.754 104.109 0.645 19215 4161 1 15 . 1 1 18 18 GLY C C 18 173.104 173.104 173.580 -0.476 19215 4162 1 15 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.239 0.005 19215 4163 1 15 . 1 1 18 18 GLY H H 18 9.353 9.353 8.207 1.146 19215 4164 1 15 . 1 1 19 19 GLU N N 19 117.501 117.501 118.679 -1.178 19215 4165 1 15 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.321 0.327 19215 4166 1 15 . 1 1 19 19 GLU C C 19 176.166 176.166 175.171 0.995 19215 4167 1 15 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.700 -0.835 19215 4168 1 15 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.595 -0.465 19215 4169 1 15 . 1 1 19 19 GLU H H 19 7.813 7.813 7.665 0.148 19215 4170 1 15 . 1 1 20 20 TRP N N 20 122.768 122.768 121.688 1.080 19215 4171 1 15 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.823 -0.156 19215 4172 1 15 . 1 1 20 20 TRP C C 20 176.302 176.302 176.512 -0.210 19215 4173 1 15 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.912 -1.034 19215 4174 1 15 . 1 1 20 20 TRP CB C 20 29.545 29.545 28.851 0.694 19215 4175 1 15 . 1 1 20 20 TRP H H 20 9.094 9.094 8.280 0.814 19215 4176 1 15 . 1 1 21 21 VAL N N 21 123.071 123.071 123.881 -0.810 19215 4177 1 15 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.473 0.512 19215 4178 1 15 . 1 1 21 21 VAL C C 21 175.640 175.640 175.360 0.280 19215 4179 1 15 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.504 -0.967 19215 4180 1 15 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.648 -0.997 19215 4181 1 15 . 1 1 21 21 VAL H H 21 9.868 9.868 8.753 1.115 19215 4182 1 15 . 1 1 22 22 LEU N N 22 127.193 127.193 128.422 -1.229 19215 4183 1 15 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.531 -0.109 19215 4184 1 15 . 1 1 22 22 LEU C C 22 179.268 179.268 178.527 0.741 19215 4185 1 15 . 1 1 22 22 LEU CA C 22 55.634 55.634 56.189 -0.555 19215 4186 1 15 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.957 -0.678 19215 4187 1 15 . 1 1 22 22 LEU H H 22 8.812 8.812 8.826 -0.014 19215 4188 1 15 . 1 1 23 23 LEU N N 23 126.386 126.386 128.636 -2.250 19215 4189 1 15 . 1 1 23 23 LEU C C 23 178.844 178.844 178.216 0.628 19215 4190 1 15 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.018 -0.615 19215 4191 1 15 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.131 -1.070 19215 4192 1 15 . 1 1 23 23 LEU H H 23 8.562 8.562 8.171 0.391 19215 4193 1 15 . 1 1 24 24 SER N N 24 113.100 113.100 113.173 -0.073 19215 4194 1 15 . 1 1 24 24 SER HA H 24 4.621 4.621 4.199 0.422 19215 4195 1 15 . 1 1 24 24 SER C C 24 176.676 176.676 176.434 0.242 19215 4196 1 15 . 1 1 24 24 SER CA C 24 60.960 60.960 61.254 -0.294 19215 4197 1 15 . 1 1 24 24 SER CB C 24 61.650 61.650 62.658 -1.008 19215 4198 1 15 . 1 1 24 24 SER H H 24 9.098 9.098 8.666 0.432 19215 4199 1 15 . 1 1 25 25 THR N N 25 116.715 116.715 118.663 -1.948 19215 4200 1 15 . 1 1 25 25 THR HA H 25 3.915 3.915 4.152 -0.237 19215 4201 1 15 . 1 1 25 25 THR CA C 25 64.599 64.599 65.378 -0.779 19215 4202 1 15 . 1 1 25 25 THR CB C 25 68.657 68.657 68.887 -0.230 19215 4203 1 15 . 1 1 25 25 THR H H 25 7.238 7.238 7.715 -0.477 19215 4204 1 15 . 1 1 26 26 PHE N N 26 118.488 118.488 119.770 -1.282 19215 4205 1 15 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.544 -0.434 19215 4206 1 15 . 1 1 26 26 PHE C C 26 176.181 176.181 175.998 0.183 19215 4207 1 15 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.107 -0.480 19215 4208 1 15 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.914 -0.121 19215 4209 1 15 . 1 1 26 26 PHE H H 26 7.945 7.945 7.591 0.354 19215 4210 1 15 . 1 1 27 27 LEU N N 27 118.525 118.525 120.241 -1.716 19215 4211 1 15 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.220 0.303 19215 4212 1 15 . 1 1 27 27 LEU C C 27 177.752 177.752 177.379 0.373 19215 4213 1 15 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.389 -0.710 19215 4214 1 15 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.869 -1.536 19215 4215 1 15 . 1 1 27 27 LEU H H 27 7.290 7.290 7.492 -0.202 19215 4216 1 15 . 1 1 28 28 GLY N N 28 108.823 108.823 107.707 1.116 19215 4217 1 15 . 1 1 28 28 GLY C C 28 174.630 174.630 173.218 1.412 19215 4218 1 15 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.785 0.589 19215 4219 1 15 . 1 1 28 28 GLY H H 28 8.242 8.242 7.914 0.328 19215 4220 1 15 . 1 1 29 29 SER N N 29 116.210 116.210 118.717 -2.507 19215 4221 1 15 . 1 1 29 29 SER HA H 29 4.626 4.626 4.109 0.517 19215 4222 1 15 . 1 1 29 29 SER C C 29 175.312 175.312 174.818 0.494 19215 4223 1 15 . 1 1 29 29 SER CA C 29 57.992 57.992 58.675 -0.683 19215 4224 1 15 . 1 1 29 29 SER CB C 29 63.605 63.605 63.267 0.338 19215 4225 1 15 . 1 1 29 29 SER H H 29 8.310 8.310 8.537 -0.227 19215 4226 1 15 . 1 1 30 30 SER N N 30 118.892 118.892 118.404 0.488 19215 4227 1 15 . 1 1 30 30 SER HA H 30 4.597 4.597 4.147 0.450 19215 4228 1 15 . 1 1 30 30 SER C C 30 175.479 175.479 174.771 0.708 19215 4229 1 15 . 1 1 30 30 SER CA C 30 58.582 58.582 60.080 -1.498 19215 4230 1 15 . 1 1 30 30 SER CB C 30 63.605 63.605 62.260 1.345 19215 4231 1 15 . 1 1 30 30 SER H H 30 8.593 8.593 8.929 -0.336 19215 4232 1 15 . 1 1 31 31 GLY N N 31 111.354 111.354 108.104 3.250 19215 4233 1 15 . 1 1 31 31 GLY C C 31 174.428 174.428 174.135 0.293 19215 4234 1 15 . 1 1 31 31 GLY CA C 31 45.456 45.456 44.703 0.753 19215 4235 1 15 . 1 1 31 31 GLY H H 31 8.584 8.584 8.109 0.475 19215 4236 1 15 . 1 1 32 32 ASN N N 32 119.486 119.486 115.333 4.153 19215 4237 1 15 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.435 0.382 19215 4238 1 15 . 1 1 32 32 ASN C C 32 175.928 175.928 176.047 -0.119 19215 4239 1 15 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.998 -0.783 19215 4240 1 15 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.309 0.471 19215 4241 1 15 . 1 1 32 32 ASN H H 32 8.393 8.393 8.578 -0.185 19215 4242 1 15 . 1 1 33 33 GLU N N 33 122.031 122.031 118.822 3.209 19215 4243 1 15 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.945 0.326 19215 4244 1 15 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.718 -1.292 19215 4245 1 15 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.574 -0.246 19215 4246 1 15 . 1 1 33 33 GLU H H 33 8.711 8.711 7.921 0.790 19215 4247 1 15 . 1 1 34 34 GLN N N 34 120.866 120.866 118.447 2.419 19215 4248 1 15 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.071 0.200 19215 4249 1 15 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.031 -2.805 19215 4250 1 15 . 1 1 34 34 GLN CB C 34 28.839 28.839 27.702 1.137 19215 4251 1 15 . 1 1 34 34 GLN H H 34 8.438 8.438 8.526 -0.088 19215 4252 1 15 . 1 1 35 35 GLU N N 35 122.323 122.323 120.951 1.372 19215 4253 1 15 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.121 0.198 19215 4254 1 15 . 1 1 35 35 GLU C C 35 177.176 177.176 178.898 -1.722 19215 4255 1 15 . 1 1 35 35 GLU CA C 35 56.996 56.996 59.160 -2.164 19215 4256 1 15 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.495 0.050 19215 4257 1 15 . 1 1 35 35 GLU H H 35 8.424 8.424 8.069 0.355 19215 4258 1 15 . 1 1 36 36 LEU N N 36 122.904 122.904 117.788 5.116 19215 4259 1 15 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.137 0.182 19215 4260 1 15 . 1 1 36 36 LEU CA C 36 55.898 55.898 58.041 -2.143 19215 4261 1 15 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.145 0.351 19215 4262 1 15 . 1 1 36 36 LEU H H 36 8.342 8.342 7.641 0.701 19215 4263 1 15 . 1 1 38 38 GLU N N 38 121.931 121.931 118.998 2.933 19215 4264 1 15 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.152 0.244 19215 4265 1 15 . 1 1 38 38 GLU C C 38 177.318 177.318 179.634 -2.316 19215 4266 1 15 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.152 -2.786 19215 4267 1 15 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.901 -0.573 19215 4268 1 15 . 1 1 38 38 GLU H H 38 8.342 8.342 7.732 0.610 19215 4269 1 15 . 1 1 39 39 LEU N N 39 123.317 123.317 121.207 2.110 19215 4270 1 15 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.104 0.244 19215 4271 1 15 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.459 -1.626 19215 4272 1 15 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.536 -0.149 19215 4273 1 15 . 1 1 39 39 LEU H H 39 8.342 8.342 8.587 -0.245 19215 4274 1 15 . 1 1 40 40 ASP N N 40 119.726 119.726 117.552 2.174 19215 4275 1 15 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.339 0.232 19215 4276 1 15 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.410 -1.821 19215 4277 1 15 . 1 1 40 40 ASP H H 40 8.530 8.530 8.473 0.057 19215 4278 1 15 . 1 1 41 41 LYS N N 41 121.200 121.200 119.440 1.760 19215 4279 1 15 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.107 0.057 19215 4280 1 15 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.714 -0.493 19215 4281 1 15 . 1 1 41 41 LYS H H 41 8.145 8.145 8.024 0.121 19215 4282 1 15 . 1 1 42 42 TRP N N 42 120.615 120.615 119.287 1.328 19215 4283 1 15 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.328 0.269 19215 4284 1 15 . 1 1 42 42 TRP C C 42 177.641 177.641 178.484 -0.843 19215 4285 1 15 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.937 -2.376 19215 4286 1 15 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.259 0.580 19215 4287 1 15 . 1 1 42 42 TRP H H 42 8.025 8.025 7.664 0.361 19215 4288 1 15 . 1 1 43 43 ALA N N 43 122.056 122.056 121.252 0.804 19215 4289 1 15 . 1 1 43 43 ALA HA H 43 4.140 4.140 3.995 0.145 19215 4290 1 15 . 1 1 43 43 ALA C C 43 172.776 172.776 179.435 -6.659 19215 4291 1 15 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.261 -0.397 19215 4292 1 15 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.968 0.006 19215 4293 1 15 . 1 1 43 43 ALA H H 43 8.199 8.199 7.816 0.383 19215 4294 1 15 . 1 1 44 44 SER N N 44 113.378 113.378 114.926 -1.548 19215 4295 1 15 . 1 1 44 44 SER HA H 44 4.376 4.376 4.109 0.267 19215 4296 1 15 . 1 1 44 44 SER C C 44 176.767 176.767 176.496 0.271 19215 4297 1 15 . 1 1 44 44 SER CA C 44 60.980 60.980 61.737 -0.757 19215 4298 1 15 . 1 1 44 44 SER CB C 44 62.410 62.410 62.785 -0.375 19215 4299 1 15 . 1 1 44 44 SER H H 44 8.210 8.210 7.605 0.605 19215 4300 1 15 . 1 1 45 45 LEU N N 45 123.425 123.425 122.111 1.314 19215 4301 1 15 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.668 1.526 19215 4302 1 15 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.125 0.481 19215 4303 1 15 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.514 -0.344 19215 4304 1 15 . 1 1 45 45 LEU H H 45 7.906 7.906 7.067 0.839 19215 4305 1 15 . 1 1 46 46 TRP N N 46 118.572 118.572 120.796 -2.224 19215 4306 1 15 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.286 0.369 19215 4307 1 15 . 1 1 46 46 TRP C C 46 177.838 177.838 177.200 0.638 19215 4308 1 15 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.044 -2.137 19215 4309 1 15 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.834 -0.615 19215 4310 1 15 . 1 1 46 46 TRP H H 46 8.043 8.043 8.148 -0.105 19215 4311 1 15 . 1 1 47 47 ASN N N 47 116.564 116.564 116.578 -0.014 19215 4312 1 15 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.633 -0.007 19215 4313 1 15 . 1 1 47 47 ASN C C 47 176.904 176.904 177.865 -0.961 19215 4314 1 15 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.566 -0.521 19215 4315 1 15 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.637 0.926 19215 4316 1 15 . 1 1 47 47 ASN H H 47 8.174 8.174 8.640 -0.466 19215 4317 1 15 . 1 1 48 48 TRP N N 48 121.421 121.421 120.926 0.495 19215 4318 1 15 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.607 -0.240 19215 4319 1 15 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.376 1.141 19215 4320 1 15 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.140 0.753 19215 4321 1 15 . 1 1 48 48 TRP H H 48 8.145 8.145 7.209 0.936 19215 4322 1 15 . 1 1 49 49 PHE N N 49 118.299 118.299 119.779 -1.480 19215 4323 1 15 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.246 0.006 19215 4324 1 15 . 1 1 49 49 PHE C C 49 175.565 175.565 176.870 -1.305 19215 4325 1 15 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.215 -1.328 19215 4326 1 15 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.391 1.280 19215 4327 1 15 . 1 1 49 49 PHE H H 49 8.036 8.036 7.330 0.706 19215 4328 1 15 . 1 1 50 50 ASN N N 50 118.836 118.836 118.964 -0.128 19215 4329 1 15 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.231 0.395 19215 4330 1 15 . 1 1 50 50 ASN C C 50 176.439 176.439 176.883 -0.444 19215 4331 1 15 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.785 -2.570 19215 4332 1 15 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.615 -0.487 19215 4333 1 15 . 1 1 50 50 ASN H H 50 7.795 7.795 7.408 0.387 19215 4334 1 15 . 1 1 51 51 ILE N N 51 120.218 120.218 119.294 0.924 19215 4335 1 15 . 1 1 51 51 ILE HA H 51 3.791 3.791 4.040 -0.249 19215 4336 1 15 . 1 1 51 51 ILE C C 51 177.202 177.202 177.032 0.170 19215 4337 1 15 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.285 -2.183 19215 4338 1 15 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.506 -0.139 19215 4339 1 15 . 1 1 51 51 ILE H H 51 8.147 8.147 8.391 -0.244 19215 4340 1 15 . 1 1 52 52 THR N N 52 115.352 115.352 113.393 1.959 19215 4341 1 15 . 1 1 52 52 THR HA H 52 4.031 4.031 4.008 0.023 19215 4342 1 15 . 1 1 52 52 THR C C 52 176.095 176.095 176.809 -0.714 19215 4343 1 15 . 1 1 52 52 THR CA C 52 65.148 65.148 66.176 -1.028 19215 4344 1 15 . 1 1 52 52 THR CB C 52 68.277 68.277 68.463 -0.186 19215 4345 1 15 . 1 1 52 52 THR H H 52 8.009 8.009 7.804 0.205 19215 4346 1 15 . 1 1 53 53 ASN N N 53 119.874 119.874 121.229 -1.355 19215 4347 1 15 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.563 0.073 19215 4348 1 15 . 1 1 53 53 ASN C C 53 176.530 176.530 177.498 -0.968 19215 4349 1 15 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.697 -1.240 19215 4350 1 15 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.606 0.196 19215 4351 1 15 . 1 1 53 53 ASN H H 53 7.972 7.972 7.336 0.636 19215 4352 1 15 . 1 1 54 54 TRP N N 54 120.192 120.192 120.663 -0.471 19215 4353 1 15 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.629 0.026 19215 4354 1 15 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.135 -0.492 19215 4355 1 15 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.253 -0.088 19215 4356 1 15 . 1 1 54 54 TRP H H 54 7.897 7.897 8.325 -0.428 19215 4357 1 15 . 1 1 55 55 LEU N N 55 118.354 118.354 121.833 -3.479 19215 4358 1 15 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.939 0.149 19215 4359 1 15 . 1 1 55 55 LEU C C 55 177.975 177.975 178.514 -0.539 19215 4360 1 15 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.646 -2.176 19215 4361 1 15 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.702 -0.804 19215 4362 1 15 . 1 1 55 55 LEU H H 55 7.931 7.931 7.713 0.218 19215 4363 1 15 . 1 1 56 56 TRP N N 56 118.335 118.335 117.115 1.220 19215 4364 1 15 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.272 0.095 19215 4365 1 15 . 1 1 56 56 TRP C C 56 176.863 176.863 178.197 -1.334 19215 4366 1 15 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.534 -1.464 19215 4367 1 15 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.147 -0.308 19215 4368 1 15 . 1 1 56 56 TRP H H 56 7.665 7.665 7.378 0.287 19215 4369 1 15 . 1 1 57 57 TYR N N 57 116.808 116.808 118.104 -1.296 19215 4370 1 15 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.280 -0.108 19215 4371 1 15 . 1 1 57 57 TYR C C 57 176.085 176.085 177.493 -1.408 19215 4372 1 15 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.637 -0.772 19215 4373 1 15 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.456 -0.893 19215 4374 1 15 . 1 1 57 57 TYR H H 57 7.578 7.578 7.577 0.001 19215 4375 1 15 . 1 1 58 58 ILE N N 58 115.526 115.526 114.210 1.316 19215 4376 1 15 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.172 0.093 19215 4377 1 15 . 1 1 58 58 ILE C C 58 174.782 174.782 176.741 -1.959 19215 4378 1 15 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.790 -0.850 19215 4379 1 15 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.865 -0.683 19215 4380 1 15 . 1 1 58 58 ILE H H 58 7.586 7.586 8.435 -0.849 19215 4381 1 16 . 1 1 2 2 TYR N N 2 120.470 120.470 119.047 1.423 19215 4382 1 16 . 1 1 2 2 TYR C C 2 176.535 176.535 175.746 0.789 19215 4383 1 16 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.343 -1.348 19215 4384 1 16 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.754 -2.441 19215 4385 1 16 . 1 1 2 2 TYR H H 2 7.951 7.951 8.270 -0.319 19215 4386 1 16 . 1 1 3 3 ILE N N 3 118.307 118.307 117.859 0.448 19215 4387 1 16 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.613 -2.645 19215 4388 1 16 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.027 1.047 19215 4389 1 16 . 1 1 3 3 ILE H H 3 8.381 8.381 8.300 0.081 19215 4390 1 16 . 1 1 5 5 GLU N N 5 118.785 118.785 121.417 -2.632 19215 4391 1 16 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.352 -0.097 19215 4392 1 16 . 1 1 5 5 GLU C C 5 176.267 176.267 175.692 0.575 19215 4393 1 16 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.335 -0.376 19215 4394 1 16 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.343 -0.309 19215 4395 1 16 . 1 1 5 5 GLU H H 5 7.710 7.710 8.437 -0.727 19215 4396 1 16 . 1 1 6 6 ALA N N 6 131.546 131.546 123.919 7.627 19215 4397 1 16 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.123 -0.548 19215 4398 1 16 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.755 -0.796 19215 4399 1 16 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.632 -3.243 19215 4400 1 16 . 1 1 6 6 ALA H H 6 8.338 8.338 7.809 0.529 19215 4401 1 16 . 1 1 8 8 ARG N N 8 126.915 126.915 123.931 2.984 19215 4402 1 16 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.650 -0.580 19215 4403 1 16 . 1 1 8 8 ARG C C 8 175.110 175.110 175.153 -0.043 19215 4404 1 16 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.232 -0.533 19215 4405 1 16 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.777 -2.699 19215 4406 1 16 . 1 1 8 8 ARG H H 8 8.725 8.725 8.408 0.317 19215 4407 1 16 . 1 1 9 9 ASP N N 9 123.653 123.653 122.867 0.786 19215 4408 1 16 . 1 1 9 9 ASP C C 9 178.015 178.015 176.981 1.034 19215 4409 1 16 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.731 -1.984 19215 4410 1 16 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.529 -0.685 19215 4411 1 16 . 1 1 9 9 ASP H H 9 8.432 8.432 8.562 -0.130 19215 4412 1 16 . 1 1 10 10 GLY N N 10 111.908 111.908 108.590 3.318 19215 4413 1 16 . 1 1 10 10 GLY C C 10 174.822 174.822 174.367 0.455 19215 4414 1 16 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.668 -0.424 19215 4415 1 16 . 1 1 10 10 GLY H H 10 9.727 9.727 8.558 1.169 19215 4416 1 16 . 1 1 11 11 GLN N N 11 118.395 118.395 120.926 -2.531 19215 4417 1 16 . 1 1 11 11 GLN C C 11 174.711 174.711 174.464 0.247 19215 4418 1 16 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.551 -1.153 19215 4419 1 16 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.992 0.314 19215 4420 1 16 . 1 1 11 11 GLN H H 11 8.416 8.416 7.778 0.638 19215 4421 1 16 . 1 1 12 12 ALA N N 12 121.020 121.020 123.970 -2.950 19215 4422 1 16 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.638 0.305 19215 4423 1 16 . 1 1 12 12 ALA C C 12 177.990 177.990 175.358 2.632 19215 4424 1 16 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.377 -0.866 19215 4425 1 16 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.392 -0.245 19215 4426 1 16 . 1 1 12 12 ALA H H 12 7.933 7.933 8.308 -0.375 19215 4427 1 16 . 1 1 13 13 TYR N N 13 121.755 121.755 116.927 4.828 19215 4428 1 16 . 1 1 13 13 TYR C C 13 175.519 175.519 173.368 2.151 19215 4429 1 16 . 1 1 13 13 TYR CA C 13 59.090 59.090 53.901 5.189 19215 4430 1 16 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.054 3.126 19215 4431 1 16 . 1 1 13 13 TYR H H 13 9.575 9.575 8.324 1.251 19215 4432 1 16 . 1 1 14 14 VAL N N 14 112.251 112.251 120.254 -8.003 19215 4433 1 16 . 1 1 14 14 VAL C C 14 174.074 174.074 174.653 -0.579 19215 4434 1 16 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.104 -0.014 19215 4435 1 16 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.434 -2.684 19215 4436 1 16 . 1 1 14 14 VAL H H 14 9.659 9.659 8.941 0.718 19215 4437 1 16 . 1 1 15 15 ARG N N 15 124.657 124.657 121.703 2.954 19215 4438 1 16 . 1 1 15 15 ARG C C 15 174.948 174.948 175.816 -0.868 19215 4439 1 16 . 1 1 15 15 ARG CA C 15 53.520 53.520 53.939 -0.419 19215 4440 1 16 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.058 2.475 19215 4441 1 16 . 1 1 15 15 ARG H H 15 8.503 8.503 8.426 0.077 19215 4442 1 16 . 1 1 16 16 LYS N N 16 128.240 128.240 125.473 2.767 19215 4443 1 16 . 1 1 16 16 LYS C C 16 175.974 175.974 175.173 0.801 19215 4444 1 16 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.595 0.181 19215 4445 1 16 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.917 1.636 19215 4446 1 16 . 1 1 16 16 LYS H H 16 9.052 9.052 7.988 1.064 19215 4447 1 16 . 1 1 17 17 ASP N N 17 130.562 130.562 122.323 8.239 19215 4448 1 16 . 1 1 17 17 ASP C C 17 175.822 175.822 175.547 0.275 19215 4449 1 16 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.944 1.503 19215 4450 1 16 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.966 1.226 19215 4451 1 16 . 1 1 17 17 ASP H H 17 10.886 10.886 8.740 2.146 19215 4452 1 16 . 1 1 18 18 GLY N N 18 104.754 104.754 104.539 0.215 19215 4453 1 16 . 1 1 18 18 GLY C C 18 173.104 173.104 173.260 -0.156 19215 4454 1 16 . 1 1 18 18 GLY CA C 18 45.244 45.244 44.886 0.358 19215 4455 1 16 . 1 1 18 18 GLY H H 18 9.353 9.353 8.506 0.847 19215 4456 1 16 . 1 1 19 19 GLU N N 19 117.501 117.501 117.586 -0.085 19215 4457 1 16 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.688 0.960 19215 4458 1 16 . 1 1 19 19 GLU C C 19 176.166 176.166 174.591 1.575 19215 4459 1 16 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.699 0.166 19215 4460 1 16 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.545 -0.415 19215 4461 1 16 . 1 1 19 19 GLU H H 19 7.813 7.813 7.740 0.073 19215 4462 1 16 . 1 1 20 20 TRP N N 20 122.768 122.768 123.133 -0.365 19215 4463 1 16 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.062 -0.395 19215 4464 1 16 . 1 1 20 20 TRP C C 20 176.302 176.302 176.594 -0.292 19215 4465 1 16 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.050 -0.172 19215 4466 1 16 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.347 0.198 19215 4467 1 16 . 1 1 20 20 TRP H H 20 9.094 9.094 7.540 1.554 19215 4468 1 16 . 1 1 21 21 VAL N N 21 123.071 123.071 120.078 2.993 19215 4469 1 16 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.625 0.360 19215 4470 1 16 . 1 1 21 21 VAL C C 21 175.640 175.640 174.840 0.800 19215 4471 1 16 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.904 -0.367 19215 4472 1 16 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.838 -0.187 19215 4473 1 16 . 1 1 21 21 VAL H H 21 9.868 9.868 8.469 1.399 19215 4474 1 16 . 1 1 22 22 LEU N N 22 127.193 127.193 127.631 -0.438 19215 4475 1 16 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.495 -0.073 19215 4476 1 16 . 1 1 22 22 LEU C C 22 179.268 179.268 178.501 0.767 19215 4477 1 16 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.875 -0.241 19215 4478 1 16 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.468 -0.188 19215 4479 1 16 . 1 1 22 22 LEU H H 22 8.812 8.812 8.915 -0.103 19215 4480 1 16 . 1 1 23 23 LEU N N 23 126.386 126.386 128.649 -2.263 19215 4481 1 16 . 1 1 23 23 LEU C C 23 178.844 178.844 178.649 0.195 19215 4482 1 16 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.204 -0.801 19215 4483 1 16 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.853 -0.792 19215 4484 1 16 . 1 1 23 23 LEU H H 23 8.562 8.562 8.359 0.203 19215 4485 1 16 . 1 1 24 24 SER N N 24 113.100 113.100 113.941 -0.841 19215 4486 1 16 . 1 1 24 24 SER HA H 24 4.621 4.621 4.073 0.548 19215 4487 1 16 . 1 1 24 24 SER C C 24 176.676 176.676 176.790 -0.114 19215 4488 1 16 . 1 1 24 24 SER CA C 24 60.960 60.960 61.372 -0.412 19215 4489 1 16 . 1 1 24 24 SER CB C 24 61.650 61.650 62.175 -0.525 19215 4490 1 16 . 1 1 24 24 SER H H 24 9.098 9.098 8.509 0.589 19215 4491 1 16 . 1 1 25 25 THR N N 25 116.715 116.715 114.529 2.186 19215 4492 1 16 . 1 1 25 25 THR HA H 25 3.915 3.915 4.162 -0.247 19215 4493 1 16 . 1 1 25 25 THR CA C 25 64.599 64.599 65.191 -0.592 19215 4494 1 16 . 1 1 25 25 THR CB C 25 68.657 68.657 68.975 -0.318 19215 4495 1 16 . 1 1 25 25 THR H H 25 7.238 7.238 8.191 -0.953 19215 4496 1 16 . 1 1 26 26 PHE N N 26 118.488 118.488 121.152 -2.664 19215 4497 1 16 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.538 -0.428 19215 4498 1 16 . 1 1 26 26 PHE C C 26 176.181 176.181 176.693 -0.512 19215 4499 1 16 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.562 -0.935 19215 4500 1 16 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.676 0.117 19215 4501 1 16 . 1 1 26 26 PHE H H 26 7.945 7.945 8.219 -0.274 19215 4502 1 16 . 1 1 27 27 LEU N N 27 118.525 118.525 120.197 -1.672 19215 4503 1 16 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.210 0.313 19215 4504 1 16 . 1 1 27 27 LEU C C 27 177.752 177.752 177.418 0.334 19215 4505 1 16 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.493 -0.814 19215 4506 1 16 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.675 -1.342 19215 4507 1 16 . 1 1 27 27 LEU H H 27 7.290 7.290 7.644 -0.354 19215 4508 1 16 . 1 1 28 28 GLY N N 28 108.823 108.823 107.780 1.043 19215 4509 1 16 . 1 1 28 28 GLY C C 28 174.630 174.630 173.293 1.337 19215 4510 1 16 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.731 0.643 19215 4511 1 16 . 1 1 28 28 GLY H H 28 8.242 8.242 7.564 0.678 19215 4512 1 16 . 1 1 29 29 SER N N 29 116.210 116.210 118.375 -2.165 19215 4513 1 16 . 1 1 29 29 SER HA H 29 4.626 4.626 4.083 0.543 19215 4514 1 16 . 1 1 29 29 SER C C 29 175.312 175.312 175.083 0.229 19215 4515 1 16 . 1 1 29 29 SER CA C 29 57.992 57.992 58.822 -0.829 19215 4516 1 16 . 1 1 29 29 SER CB C 29 63.605 63.605 63.289 0.315 19215 4517 1 16 . 1 1 29 29 SER H H 29 8.310 8.310 8.296 0.014 19215 4518 1 16 . 1 1 30 30 SER N N 30 118.892 118.892 120.424 -1.532 19215 4519 1 16 . 1 1 30 30 SER HA H 30 4.597 4.597 4.194 0.403 19215 4520 1 16 . 1 1 30 30 SER C C 30 175.479 175.479 174.598 0.881 19215 4521 1 16 . 1 1 30 30 SER CA C 30 58.582 58.582 59.915 -1.333 19215 4522 1 16 . 1 1 30 30 SER CB C 30 63.605 63.605 62.336 1.269 19215 4523 1 16 . 1 1 30 30 SER H H 30 8.593 8.593 8.903 -0.310 19215 4524 1 16 . 1 1 31 31 GLY N N 31 111.354 111.354 107.868 3.486 19215 4525 1 16 . 1 1 31 31 GLY C C 31 174.428 174.428 174.383 0.045 19215 4526 1 16 . 1 1 31 31 GLY CA C 31 45.456 45.456 44.762 0.694 19215 4527 1 16 . 1 1 31 31 GLY H H 31 8.584 8.584 8.024 0.560 19215 4528 1 16 . 1 1 32 32 ASN N N 32 119.486 119.486 113.729 5.757 19215 4529 1 16 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.148 0.669 19215 4530 1 16 . 1 1 32 32 ASN C C 32 175.928 175.928 175.525 0.403 19215 4531 1 16 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.346 -1.131 19215 4532 1 16 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.661 1.119 19215 4533 1 16 . 1 1 32 32 ASN H H 32 8.393 8.393 8.685 -0.292 19215 4534 1 16 . 1 1 33 33 GLU N N 33 122.031 122.031 118.729 3.302 19215 4535 1 16 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.974 0.297 19215 4536 1 16 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.021 -1.595 19215 4537 1 16 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.537 -0.209 19215 4538 1 16 . 1 1 33 33 GLU H H 33 8.711 8.711 7.961 0.750 19215 4539 1 16 . 1 1 34 34 GLN N N 34 120.866 120.866 117.915 2.951 19215 4540 1 16 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.083 0.188 19215 4541 1 16 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.814 -2.588 19215 4542 1 16 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.024 0.815 19215 4543 1 16 . 1 1 34 34 GLN H H 34 8.438 8.438 7.833 0.605 19215 4544 1 16 . 1 1 35 35 GLU N N 35 122.323 122.323 120.602 1.721 19215 4545 1 16 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.215 0.104 19215 4546 1 16 . 1 1 35 35 GLU C C 35 177.176 177.176 179.020 -1.844 19215 4547 1 16 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.615 -1.619 19215 4548 1 16 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.129 0.416 19215 4549 1 16 . 1 1 35 35 GLU H H 35 8.424 8.424 8.516 -0.092 19215 4550 1 16 . 1 1 36 36 LEU N N 36 122.904 122.904 116.767 6.137 19215 4551 1 16 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.287 0.032 19215 4552 1 16 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.657 -1.759 19215 4553 1 16 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.568 -0.072 19215 4554 1 16 . 1 1 36 36 LEU H H 36 8.342 8.342 7.723 0.619 19215 4555 1 16 . 1 1 38 38 GLU N N 38 121.931 121.931 120.299 1.632 19215 4556 1 16 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.104 0.292 19215 4557 1 16 . 1 1 38 38 GLU C C 38 177.318 177.318 179.380 -2.062 19215 4558 1 16 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.978 -3.612 19215 4559 1 16 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.904 -0.576 19215 4560 1 16 . 1 1 38 38 GLU H H 38 8.342 8.342 8.073 0.269 19215 4561 1 16 . 1 1 39 39 LEU N N 39 123.317 123.317 119.694 3.623 19215 4562 1 16 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.086 0.262 19215 4563 1 16 . 1 1 39 39 LEU CA C 39 56.833 56.833 59.047 -2.215 19215 4564 1 16 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.309 0.078 19215 4565 1 16 . 1 1 39 39 LEU H H 39 8.342 8.342 7.597 0.745 19215 4566 1 16 . 1 1 40 40 ASP N N 40 119.726 119.726 118.474 1.252 19215 4567 1 16 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.371 0.200 19215 4568 1 16 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.691 -2.102 19215 4569 1 16 . 1 1 40 40 ASP H H 40 8.530 8.530 8.609 -0.079 19215 4570 1 16 . 1 1 41 41 LYS N N 41 121.200 121.200 119.578 1.622 19215 4571 1 16 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.040 0.124 19215 4572 1 16 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.674 -0.454 19215 4573 1 16 . 1 1 41 41 LYS H H 41 8.145 8.145 8.089 0.056 19215 4574 1 16 . 1 1 42 42 TRP N N 42 120.615 120.615 118.912 1.703 19215 4575 1 16 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.379 0.218 19215 4576 1 16 . 1 1 42 42 TRP C C 42 177.641 177.641 178.512 -0.871 19215 4577 1 16 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.411 -1.850 19215 4578 1 16 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.233 0.607 19215 4579 1 16 . 1 1 42 42 TRP H H 42 8.025 8.025 7.484 0.541 19215 4580 1 16 . 1 1 43 43 ALA N N 43 122.056 122.056 121.431 0.625 19215 4581 1 16 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.044 0.096 19215 4582 1 16 . 1 1 43 43 ALA C C 43 172.776 172.776 179.628 -6.852 19215 4583 1 16 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.172 -0.308 19215 4584 1 16 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.060 -0.086 19215 4585 1 16 . 1 1 43 43 ALA H H 43 8.199 8.199 7.857 0.342 19215 4586 1 16 . 1 1 44 44 SER N N 44 113.378 113.378 114.861 -1.483 19215 4587 1 16 . 1 1 44 44 SER HA H 44 4.376 4.376 4.125 0.251 19215 4588 1 16 . 1 1 44 44 SER C C 44 176.767 176.767 176.637 0.130 19215 4589 1 16 . 1 1 44 44 SER CA C 44 60.980 60.980 61.686 -0.706 19215 4590 1 16 . 1 1 44 44 SER CB C 44 62.410 62.410 62.868 -0.458 19215 4591 1 16 . 1 1 44 44 SER H H 44 8.210 8.210 7.632 0.578 19215 4592 1 16 . 1 1 45 45 LEU N N 45 123.425 123.425 121.400 2.025 19215 4593 1 16 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.976 1.218 19215 4594 1 16 . 1 1 45 45 LEU CA C 45 57.606 57.606 56.772 0.834 19215 4595 1 16 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.567 -0.397 19215 4596 1 16 . 1 1 45 45 LEU H H 45 7.906 7.906 7.023 0.883 19215 4597 1 16 . 1 1 46 46 TRP N N 46 118.572 118.572 120.168 -1.596 19215 4598 1 16 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.326 0.329 19215 4599 1 16 . 1 1 46 46 TRP C C 46 177.838 177.838 177.108 0.730 19215 4600 1 16 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.437 -1.530 19215 4601 1 16 . 1 1 46 46 TRP CB C 46 29.219 29.219 30.305 -1.086 19215 4602 1 16 . 1 1 46 46 TRP H H 46 8.043 8.043 7.821 0.222 19215 4603 1 16 . 1 1 47 47 ASN N N 47 116.564 116.564 117.615 -1.051 19215 4604 1 16 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.358 0.268 19215 4605 1 16 . 1 1 47 47 ASN C C 47 176.904 176.904 177.607 -0.703 19215 4606 1 16 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.466 -0.421 19215 4607 1 16 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.274 1.289 19215 4608 1 16 . 1 1 47 47 ASN H H 47 8.174 8.174 8.559 -0.385 19215 4609 1 16 . 1 1 48 48 TRP N N 48 121.421 121.421 120.507 0.914 19215 4610 1 16 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.505 -0.138 19215 4611 1 16 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.401 1.116 19215 4612 1 16 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.129 0.764 19215 4613 1 16 . 1 1 48 48 TRP H H 48 8.145 8.145 7.028 1.117 19215 4614 1 16 . 1 1 49 49 PHE N N 49 118.299 118.299 118.967 -0.668 19215 4615 1 16 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.157 0.095 19215 4616 1 16 . 1 1 49 49 PHE C C 49 175.565 175.565 177.172 -1.607 19215 4617 1 16 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.341 -1.454 19215 4618 1 16 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.471 1.200 19215 4619 1 16 . 1 1 49 49 PHE H H 49 8.036 8.036 6.884 1.152 19215 4620 1 16 . 1 1 50 50 ASN N N 50 118.836 118.836 118.903 -0.067 19215 4621 1 16 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.265 0.361 19215 4622 1 16 . 1 1 50 50 ASN C C 50 176.439 176.439 177.534 -1.095 19215 4623 1 16 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.466 -2.251 19215 4624 1 16 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.234 -0.107 19215 4625 1 16 . 1 1 50 50 ASN H H 50 7.795 7.795 7.213 0.582 19215 4626 1 16 . 1 1 51 51 ILE N N 51 120.218 120.218 117.946 2.272 19215 4627 1 16 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.975 -0.184 19215 4628 1 16 . 1 1 51 51 ILE C C 51 177.202 177.202 177.327 -0.125 19215 4629 1 16 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.167 -2.065 19215 4630 1 16 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.595 0.772 19215 4631 1 16 . 1 1 51 51 ILE H H 51 8.147 8.147 8.627 -0.480 19215 4632 1 16 . 1 1 52 52 THR N N 52 115.352 115.352 111.960 3.392 19215 4633 1 16 . 1 1 52 52 THR HA H 52 4.031 4.031 3.923 0.108 19215 4634 1 16 . 1 1 52 52 THR C C 52 176.095 176.095 176.352 -0.257 19215 4635 1 16 . 1 1 52 52 THR CA C 52 65.148 65.148 65.953 -0.805 19215 4636 1 16 . 1 1 52 52 THR CB C 52 68.277 68.277 68.680 -0.403 19215 4637 1 16 . 1 1 52 52 THR H H 52 8.009 8.009 7.802 0.207 19215 4638 1 16 . 1 1 53 53 ASN N N 53 119.874 119.874 120.533 -0.659 19215 4639 1 16 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.440 0.196 19215 4640 1 16 . 1 1 53 53 ASN C C 53 176.530 176.530 177.171 -0.641 19215 4641 1 16 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.552 -1.095 19215 4642 1 16 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.964 -0.162 19215 4643 1 16 . 1 1 53 53 ASN H H 53 7.972 7.972 7.822 0.150 19215 4644 1 16 . 1 1 54 54 TRP N N 54 120.192 120.192 120.819 -0.627 19215 4645 1 16 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.619 0.036 19215 4646 1 16 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.044 -0.401 19215 4647 1 16 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.397 -0.232 19215 4648 1 16 . 1 1 54 54 TRP H H 54 7.897 7.897 7.579 0.318 19215 4649 1 16 . 1 1 55 55 LEU N N 55 118.354 118.354 120.897 -2.543 19215 4650 1 16 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.794 0.294 19215 4651 1 16 . 1 1 55 55 LEU C C 55 177.975 177.975 178.411 -0.436 19215 4652 1 16 . 1 1 55 55 LEU CA C 55 56.470 56.470 57.958 -1.488 19215 4653 1 16 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.500 -0.602 19215 4654 1 16 . 1 1 55 55 LEU H H 55 7.931 7.931 7.690 0.241 19215 4655 1 16 . 1 1 56 56 TRP N N 56 118.335 118.335 117.002 1.333 19215 4656 1 16 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.324 0.043 19215 4657 1 16 . 1 1 56 56 TRP C C 56 176.863 176.863 178.960 -2.097 19215 4658 1 16 . 1 1 56 56 TRP CA C 56 59.070 59.070 59.487 -0.417 19215 4659 1 16 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.930 -0.091 19215 4660 1 16 . 1 1 56 56 TRP H H 56 7.665 7.665 7.102 0.563 19215 4661 1 16 . 1 1 57 57 TYR N N 57 116.808 116.808 120.237 -3.429 19215 4662 1 16 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.323 -0.151 19215 4663 1 16 . 1 1 57 57 TYR C C 57 176.085 176.085 177.154 -1.069 19215 4664 1 16 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.686 -0.821 19215 4665 1 16 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.913 -0.350 19215 4666 1 16 . 1 1 57 57 TYR H H 57 7.578 7.578 7.564 0.014 19215 4667 1 16 . 1 1 58 58 ILE N N 58 115.526 115.526 113.217 2.309 19215 4668 1 16 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.069 0.196 19215 4669 1 16 . 1 1 58 58 ILE C C 58 174.782 174.782 176.127 -1.345 19215 4670 1 16 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.768 -0.828 19215 4671 1 16 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.575 -0.393 19215 4672 1 16 . 1 1 58 58 ILE H H 58 7.586 7.586 8.472 -0.886 19215 4673 1 17 . 1 1 2 2 TYR N N 2 120.470 120.470 119.988 0.482 19215 4674 1 17 . 1 1 2 2 TYR C C 2 176.535 176.535 175.810 0.725 19215 4675 1 17 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.223 -1.228 19215 4676 1 17 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.519 -2.206 19215 4677 1 17 . 1 1 2 2 TYR H H 2 7.951 7.951 7.861 0.090 19215 4678 1 17 . 1 1 3 3 ILE N N 3 118.307 118.307 116.538 1.769 19215 4679 1 17 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.720 -2.752 19215 4680 1 17 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.424 1.650 19215 4681 1 17 . 1 1 3 3 ILE H H 3 8.381 8.381 8.147 0.234 19215 4682 1 17 . 1 1 5 5 GLU N N 5 118.785 118.785 121.035 -2.250 19215 4683 1 17 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.404 -0.149 19215 4684 1 17 . 1 1 5 5 GLU C C 5 176.267 176.267 175.811 0.456 19215 4685 1 17 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.365 -0.406 19215 4686 1 17 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.241 -0.207 19215 4687 1 17 . 1 1 5 5 GLU H H 5 7.710 7.710 8.806 -1.096 19215 4688 1 17 . 1 1 6 6 ALA N N 6 131.546 131.546 123.188 8.358 19215 4689 1 17 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.074 -0.499 19215 4690 1 17 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.798 -0.839 19215 4691 1 17 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.361 -2.972 19215 4692 1 17 . 1 1 6 6 ALA H H 6 8.338 8.338 7.961 0.377 19215 4693 1 17 . 1 1 8 8 ARG N N 8 126.915 126.915 124.497 2.418 19215 4694 1 17 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.623 -0.553 19215 4695 1 17 . 1 1 8 8 ARG C C 8 175.110 175.110 175.005 0.105 19215 4696 1 17 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.178 -0.479 19215 4697 1 17 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.213 -2.135 19215 4698 1 17 . 1 1 8 8 ARG H H 8 8.725 8.725 8.305 0.420 19215 4699 1 17 . 1 1 9 9 ASP N N 9 123.653 123.653 125.023 -1.370 19215 4700 1 17 . 1 1 9 9 ASP C C 9 178.015 178.015 177.146 0.869 19215 4701 1 17 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.383 -1.636 19215 4702 1 17 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.707 -0.863 19215 4703 1 17 . 1 1 9 9 ASP H H 9 8.432 8.432 8.782 -0.350 19215 4704 1 17 . 1 1 10 10 GLY N N 10 111.908 111.908 108.566 3.342 19215 4705 1 17 . 1 1 10 10 GLY C C 10 174.822 174.822 174.352 0.470 19215 4706 1 17 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.362 -0.118 19215 4707 1 17 . 1 1 10 10 GLY H H 10 9.727 9.727 8.384 1.343 19215 4708 1 17 . 1 1 11 11 GLN N N 11 118.395 118.395 119.579 -1.184 19215 4709 1 17 . 1 1 11 11 GLN C C 11 174.711 174.711 174.593 0.118 19215 4710 1 17 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.873 -1.475 19215 4711 1 17 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.191 0.115 19215 4712 1 17 . 1 1 11 11 GLN H H 11 8.416 8.416 7.957 0.459 19215 4713 1 17 . 1 1 12 12 ALA N N 12 121.020 121.020 126.300 -5.280 19215 4714 1 17 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.367 0.576 19215 4715 1 17 . 1 1 12 12 ALA C C 12 177.990 177.990 175.730 2.260 19215 4716 1 17 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.312 -0.801 19215 4717 1 17 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.104 0.043 19215 4718 1 17 . 1 1 12 12 ALA H H 12 7.933 7.933 8.395 -0.462 19215 4719 1 17 . 1 1 13 13 TYR N N 13 121.755 121.755 117.757 3.998 19215 4720 1 17 . 1 1 13 13 TYR C C 13 175.519 175.519 173.670 1.849 19215 4721 1 17 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.353 3.737 19215 4722 1 17 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.479 2.701 19215 4723 1 17 . 1 1 13 13 TYR H H 13 9.575 9.575 7.646 1.929 19215 4724 1 17 . 1 1 14 14 VAL N N 14 112.251 112.251 120.007 -7.756 19215 4725 1 17 . 1 1 14 14 VAL C C 14 174.074 174.074 174.493 -0.419 19215 4726 1 17 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.037 0.053 19215 4727 1 17 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.696 -2.946 19215 4728 1 17 . 1 1 14 14 VAL H H 14 9.659 9.659 9.093 0.566 19215 4729 1 17 . 1 1 15 15 ARG N N 15 124.657 124.657 122.046 2.611 19215 4730 1 17 . 1 1 15 15 ARG C C 15 174.948 174.948 175.594 -0.646 19215 4731 1 17 . 1 1 15 15 ARG CA C 15 53.520 53.520 54.292 -0.772 19215 4732 1 17 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.360 2.173 19215 4733 1 17 . 1 1 15 15 ARG H H 15 8.503 8.503 8.516 -0.013 19215 4734 1 17 . 1 1 16 16 LYS N N 16 128.240 128.240 126.389 1.851 19215 4735 1 17 . 1 1 16 16 LYS C C 16 175.974 175.974 175.315 0.659 19215 4736 1 17 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.651 0.125 19215 4737 1 17 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.180 1.373 19215 4738 1 17 . 1 1 16 16 LYS H H 16 9.052 9.052 8.240 0.812 19215 4739 1 17 . 1 1 17 17 ASP N N 17 130.562 130.562 123.892 6.670 19215 4740 1 17 . 1 1 17 17 ASP C C 17 175.822 175.822 175.684 0.138 19215 4741 1 17 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.159 1.288 19215 4742 1 17 . 1 1 17 17 ASP CB C 17 40.192 40.192 38.910 1.282 19215 4743 1 17 . 1 1 17 17 ASP H H 17 10.886 10.886 8.966 1.920 19215 4744 1 17 . 1 1 18 18 GLY N N 18 104.754 104.754 105.810 -1.056 19215 4745 1 17 . 1 1 18 18 GLY C C 18 173.104 173.104 173.131 -0.027 19215 4746 1 17 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.373 -0.129 19215 4747 1 17 . 1 1 18 18 GLY H H 18 9.353 9.353 8.284 1.069 19215 4748 1 17 . 1 1 19 19 GLU N N 19 117.501 117.501 117.752 -0.251 19215 4749 1 17 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.219 0.429 19215 4750 1 17 . 1 1 19 19 GLU C C 19 176.166 176.166 174.732 1.434 19215 4751 1 17 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.904 -0.039 19215 4752 1 17 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.761 -0.631 19215 4753 1 17 . 1 1 19 19 GLU H H 19 7.813 7.813 7.808 0.005 19215 4754 1 17 . 1 1 20 20 TRP N N 20 122.768 122.768 122.487 0.281 19215 4755 1 17 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.100 -0.433 19215 4756 1 17 . 1 1 20 20 TRP C C 20 176.302 176.302 176.439 -0.137 19215 4757 1 17 . 1 1 20 20 TRP CA C 20 55.878 55.878 57.022 -1.144 19215 4758 1 17 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.285 0.260 19215 4759 1 17 . 1 1 20 20 TRP H H 20 9.094 9.094 8.252 0.842 19215 4760 1 17 . 1 1 21 21 VAL N N 21 123.071 123.071 125.119 -2.048 19215 4761 1 17 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.379 0.606 19215 4762 1 17 . 1 1 21 21 VAL C C 21 175.640 175.640 175.179 0.461 19215 4763 1 17 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.623 -1.086 19215 4764 1 17 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.222 -0.571 19215 4765 1 17 . 1 1 21 21 VAL H H 21 9.868 9.868 8.460 1.408 19215 4766 1 17 . 1 1 22 22 LEU N N 22 127.193 127.193 128.301 -1.108 19215 4767 1 17 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.586 -0.164 19215 4768 1 17 . 1 1 22 22 LEU C C 22 179.268 179.268 178.752 0.516 19215 4769 1 17 . 1 1 22 22 LEU CA C 22 55.634 55.634 56.298 -0.664 19215 4770 1 17 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.602 -0.323 19215 4771 1 17 . 1 1 22 22 LEU H H 22 8.812 8.812 8.811 0.001 19215 4772 1 17 . 1 1 23 23 LEU N N 23 126.386 126.386 128.843 -2.457 19215 4773 1 17 . 1 1 23 23 LEU C C 23 178.844 178.844 178.117 0.727 19215 4774 1 17 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.145 -0.742 19215 4775 1 17 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.084 -1.024 19215 4776 1 17 . 1 1 23 23 LEU H H 23 8.562 8.562 8.090 0.472 19215 4777 1 17 . 1 1 24 24 SER N N 24 113.100 113.100 113.314 -0.214 19215 4778 1 17 . 1 1 24 24 SER HA H 24 4.621 4.621 4.174 0.447 19215 4779 1 17 . 1 1 24 24 SER C C 24 176.676 176.676 176.414 0.262 19215 4780 1 17 . 1 1 24 24 SER CA C 24 60.960 60.960 61.390 -0.430 19215 4781 1 17 . 1 1 24 24 SER CB C 24 61.650 61.650 62.136 -0.486 19215 4782 1 17 . 1 1 24 24 SER H H 24 9.098 9.098 8.760 0.338 19215 4783 1 17 . 1 1 25 25 THR N N 25 116.715 116.715 114.485 2.230 19215 4784 1 17 . 1 1 25 25 THR HA H 25 3.915 3.915 4.176 -0.261 19215 4785 1 17 . 1 1 25 25 THR CA C 25 64.599 64.599 64.723 -0.124 19215 4786 1 17 . 1 1 25 25 THR CB C 25 68.657 68.657 68.831 -0.173 19215 4787 1 17 . 1 1 25 25 THR H H 25 7.238 7.238 7.721 -0.483 19215 4788 1 17 . 1 1 26 26 PHE N N 26 118.488 118.488 121.403 -2.915 19215 4789 1 17 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.520 -0.410 19215 4790 1 17 . 1 1 26 26 PHE C C 26 176.181 176.181 176.167 0.014 19215 4791 1 17 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.662 -1.035 19215 4792 1 17 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.874 -0.081 19215 4793 1 17 . 1 1 26 26 PHE H H 26 7.945 7.945 7.919 0.026 19215 4794 1 17 . 1 1 27 27 LEU N N 27 118.525 118.525 120.608 -2.083 19215 4795 1 17 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.204 0.319 19215 4796 1 17 . 1 1 27 27 LEU C C 27 177.752 177.752 177.094 0.658 19215 4797 1 17 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.522 -0.842 19215 4798 1 17 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.421 -1.088 19215 4799 1 17 . 1 1 27 27 LEU H H 27 7.290 7.290 7.522 -0.232 19215 4800 1 17 . 1 1 28 28 GLY N N 28 108.823 108.823 106.521 2.302 19215 4801 1 17 . 1 1 28 28 GLY C C 28 174.630 174.630 173.456 1.174 19215 4802 1 17 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.952 0.422 19215 4803 1 17 . 1 1 28 28 GLY H H 28 8.242 8.242 7.732 0.510 19215 4804 1 17 . 1 1 29 29 SER N N 29 116.210 116.210 117.032 -0.822 19215 4805 1 17 . 1 1 29 29 SER HA H 29 4.626 4.626 4.153 0.473 19215 4806 1 17 . 1 1 29 29 SER C C 29 175.312 175.312 175.159 0.153 19215 4807 1 17 . 1 1 29 29 SER CA C 29 57.992 57.992 58.509 -0.517 19215 4808 1 17 . 1 1 29 29 SER CB C 29 63.605 63.605 62.850 0.755 19215 4809 1 17 . 1 1 29 29 SER H H 29 8.310 8.310 8.351 -0.041 19215 4810 1 17 . 1 1 30 30 SER N N 30 118.892 118.892 121.062 -2.170 19215 4811 1 17 . 1 1 30 30 SER HA H 30 4.597 4.597 4.402 0.195 19215 4812 1 17 . 1 1 30 30 SER C C 30 175.479 175.479 175.586 -0.107 19215 4813 1 17 . 1 1 30 30 SER CA C 30 58.582 58.582 57.786 0.796 19215 4814 1 17 . 1 1 30 30 SER CB C 30 63.605 63.605 61.753 1.852 19215 4815 1 17 . 1 1 30 30 SER H H 30 8.593 8.593 8.784 -0.191 19215 4816 1 17 . 1 1 31 31 GLY N N 31 111.354 111.354 110.995 0.359 19215 4817 1 17 . 1 1 31 31 GLY C C 31 174.428 174.428 173.612 0.816 19215 4818 1 17 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.655 -0.199 19215 4819 1 17 . 1 1 31 31 GLY H H 31 8.584 8.584 8.774 -0.190 19215 4820 1 17 . 1 1 32 32 ASN N N 32 119.486 119.486 112.797 6.689 19215 4821 1 17 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.470 0.347 19215 4822 1 17 . 1 1 32 32 ASN C C 32 175.928 175.928 176.194 -0.266 19215 4823 1 17 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.661 -0.446 19215 4824 1 17 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.480 1.300 19215 4825 1 17 . 1 1 32 32 ASN H H 32 8.393 8.393 8.269 0.124 19215 4826 1 17 . 1 1 33 33 GLU N N 33 122.031 122.031 117.802 4.229 19215 4827 1 17 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.962 0.309 19215 4828 1 17 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.725 -1.299 19215 4829 1 17 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.194 0.134 19215 4830 1 17 . 1 1 33 33 GLU H H 33 8.711 8.711 8.273 0.438 19215 4831 1 17 . 1 1 34 34 GLN N N 34 120.866 120.866 117.565 3.301 19215 4832 1 17 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.049 0.222 19215 4833 1 17 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.570 -2.344 19215 4834 1 17 . 1 1 34 34 GLN CB C 34 28.839 28.839 27.468 1.371 19215 4835 1 17 . 1 1 34 34 GLN H H 34 8.438 8.438 8.167 0.271 19215 4836 1 17 . 1 1 35 35 GLU N N 35 122.323 122.323 120.693 1.630 19215 4837 1 17 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.209 0.110 19215 4838 1 17 . 1 1 35 35 GLU C C 35 177.176 177.176 178.813 -1.637 19215 4839 1 17 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.998 -2.002 19215 4840 1 17 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.109 0.436 19215 4841 1 17 . 1 1 35 35 GLU H H 35 8.424 8.424 8.005 0.419 19215 4842 1 17 . 1 1 36 36 LEU N N 36 122.904 122.904 115.593 7.311 19215 4843 1 17 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.288 0.031 19215 4844 1 17 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.154 -1.256 19215 4845 1 17 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.200 0.296 19215 4846 1 17 . 1 1 36 36 LEU H H 36 8.342 8.342 7.667 0.675 19215 4847 1 17 . 1 1 38 38 GLU N N 38 121.931 121.931 120.156 1.775 19215 4848 1 17 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.138 0.258 19215 4849 1 17 . 1 1 38 38 GLU C C 38 177.318 177.318 179.046 -1.728 19215 4850 1 17 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.370 -3.005 19215 4851 1 17 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.477 -0.149 19215 4852 1 17 . 1 1 38 38 GLU H H 38 8.342 8.342 7.498 0.844 19215 4853 1 17 . 1 1 39 39 LEU N N 39 123.317 123.317 120.633 2.684 19215 4854 1 17 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.136 0.212 19215 4855 1 17 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.501 -1.668 19215 4856 1 17 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.843 -0.456 19215 4857 1 17 . 1 1 39 39 LEU H H 39 8.342 8.342 8.237 0.105 19215 4858 1 17 . 1 1 40 40 ASP N N 40 119.726 119.726 117.246 2.480 19215 4859 1 17 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.380 0.191 19215 4860 1 17 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.277 -1.688 19215 4861 1 17 . 1 1 40 40 ASP H H 40 8.530 8.530 8.648 -0.118 19215 4862 1 17 . 1 1 41 41 LYS N N 41 121.200 121.200 119.972 1.228 19215 4863 1 17 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.098 0.066 19215 4864 1 17 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.862 -0.642 19215 4865 1 17 . 1 1 41 41 LYS H H 41 8.145 8.145 8.023 0.122 19215 4866 1 17 . 1 1 42 42 TRP N N 42 120.615 120.615 118.864 1.751 19215 4867 1 17 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.390 0.207 19215 4868 1 17 . 1 1 42 42 TRP C C 42 177.641 177.641 178.506 -0.865 19215 4869 1 17 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.383 -1.822 19215 4870 1 17 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.315 0.524 19215 4871 1 17 . 1 1 42 42 TRP H H 42 8.025 8.025 7.662 0.363 19215 4872 1 17 . 1 1 43 43 ALA N N 43 122.056 122.056 121.169 0.887 19215 4873 1 17 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.131 0.009 19215 4874 1 17 . 1 1 43 43 ALA C C 43 172.776 172.776 179.321 -6.545 19215 4875 1 17 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.770 -0.906 19215 4876 1 17 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.793 0.181 19215 4877 1 17 . 1 1 43 43 ALA H H 43 8.199 8.199 7.949 0.250 19215 4878 1 17 . 1 1 44 44 SER N N 44 113.378 113.378 115.028 -1.650 19215 4879 1 17 . 1 1 44 44 SER HA H 44 4.376 4.376 4.330 0.046 19215 4880 1 17 . 1 1 44 44 SER C C 44 176.767 176.767 176.698 0.069 19215 4881 1 17 . 1 1 44 44 SER CA C 44 60.980 60.980 61.464 -0.484 19215 4882 1 17 . 1 1 44 44 SER CB C 44 62.410 62.410 62.706 -0.296 19215 4883 1 17 . 1 1 44 44 SER H H 44 8.210 8.210 7.711 0.499 19215 4884 1 17 . 1 1 45 45 LEU N N 45 123.425 123.425 121.850 1.575 19215 4885 1 17 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.182 2.012 19215 4886 1 17 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.628 -0.022 19215 4887 1 17 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.225 -0.055 19215 4888 1 17 . 1 1 45 45 LEU H H 45 7.906 7.906 7.041 0.865 19215 4889 1 17 . 1 1 46 46 TRP N N 46 118.572 118.572 120.201 -1.629 19215 4890 1 17 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.244 0.411 19215 4891 1 17 . 1 1 46 46 TRP C C 46 177.838 177.838 177.012 0.826 19215 4892 1 17 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.130 -2.223 19215 4893 1 17 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.670 -0.451 19215 4894 1 17 . 1 1 46 46 TRP H H 46 8.043 8.043 8.020 0.023 19215 4895 1 17 . 1 1 47 47 ASN N N 47 116.564 116.564 115.606 0.958 19215 4896 1 17 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.193 0.433 19215 4897 1 17 . 1 1 47 47 ASN C C 47 176.904 176.904 177.761 -0.857 19215 4898 1 17 . 1 1 47 47 ASN CA C 47 55.045 55.045 54.905 0.140 19215 4899 1 17 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.928 0.635 19215 4900 1 17 . 1 1 47 47 ASN H H 47 8.174 8.174 8.623 -0.449 19215 4901 1 17 . 1 1 48 48 TRP N N 48 121.421 121.421 121.228 0.193 19215 4902 1 17 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.550 -0.183 19215 4903 1 17 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.413 1.104 19215 4904 1 17 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.336 0.557 19215 4905 1 17 . 1 1 48 48 TRP H H 48 8.145 8.145 7.462 0.683 19215 4906 1 17 . 1 1 49 49 PHE N N 49 118.299 118.299 119.619 -1.320 19215 4907 1 17 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.233 0.019 19215 4908 1 17 . 1 1 49 49 PHE C C 49 175.565 175.565 177.165 -1.600 19215 4909 1 17 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.209 -1.322 19215 4910 1 17 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.551 1.120 19215 4911 1 17 . 1 1 49 49 PHE H H 49 8.036 8.036 7.387 0.649 19215 4912 1 17 . 1 1 50 50 ASN N N 50 118.836 118.836 119.290 -0.454 19215 4913 1 17 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.446 0.180 19215 4914 1 17 . 1 1 50 50 ASN C C 50 176.439 176.439 176.934 -0.495 19215 4915 1 17 . 1 1 50 50 ASN CA C 50 53.215 53.215 56.398 -3.183 19215 4916 1 17 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.997 -0.869 19215 4917 1 17 . 1 1 50 50 ASN H H 50 7.795 7.795 7.372 0.423 19215 4918 1 17 . 1 1 51 51 ILE N N 51 120.218 120.218 117.868 2.350 19215 4919 1 17 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.702 0.089 19215 4920 1 17 . 1 1 51 51 ILE C C 51 177.202 177.202 176.493 0.709 19215 4921 1 17 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.950 -1.848 19215 4922 1 17 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.962 -0.595 19215 4923 1 17 . 1 1 51 51 ILE H H 51 8.147 8.147 8.374 -0.227 19215 4924 1 17 . 1 1 52 52 THR N N 52 115.352 115.352 111.385 3.967 19215 4925 1 17 . 1 1 52 52 THR HA H 52 4.031 4.031 4.020 0.011 19215 4926 1 17 . 1 1 52 52 THR C C 52 176.095 176.095 176.052 0.043 19215 4927 1 17 . 1 1 52 52 THR CA C 52 65.148 65.148 64.816 0.332 19215 4928 1 17 . 1 1 52 52 THR CB C 52 68.277 68.277 68.982 -0.705 19215 4929 1 17 . 1 1 52 52 THR H H 52 8.009 8.009 7.794 0.215 19215 4930 1 17 . 1 1 53 53 ASN N N 53 119.874 119.874 121.657 -1.783 19215 4931 1 17 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.712 -0.076 19215 4932 1 17 . 1 1 53 53 ASN C C 53 176.530 176.530 177.508 -0.978 19215 4933 1 17 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.476 -1.019 19215 4934 1 17 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.332 0.470 19215 4935 1 17 . 1 1 53 53 ASN H H 53 7.972 7.972 7.369 0.603 19215 4936 1 17 . 1 1 54 54 TRP N N 54 120.192 120.192 119.353 0.839 19215 4937 1 17 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.710 -0.055 19215 4938 1 17 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.990 0.652 19215 4939 1 17 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.384 0.781 19215 4940 1 17 . 1 1 54 54 TRP H H 54 7.897 7.897 7.332 0.565 19215 4941 1 17 . 1 1 55 55 LEU N N 55 118.354 118.354 122.046 -3.692 19215 4942 1 17 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.792 0.296 19215 4943 1 17 . 1 1 55 55 LEU C C 55 177.975 177.975 178.303 -0.328 19215 4944 1 17 . 1 1 55 55 LEU CA C 55 56.470 56.470 57.942 -1.472 19215 4945 1 17 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.225 -0.327 19215 4946 1 17 . 1 1 55 55 LEU H H 55 7.931 7.931 7.258 0.673 19215 4947 1 17 . 1 1 56 56 TRP N N 56 118.335 118.335 117.506 0.829 19215 4948 1 17 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.278 0.089 19215 4949 1 17 . 1 1 56 56 TRP C C 56 176.863 176.863 178.135 -1.272 19215 4950 1 17 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.275 -1.205 19215 4951 1 17 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.030 -0.191 19215 4952 1 17 . 1 1 56 56 TRP H H 56 7.665 7.665 7.539 0.126 19215 4953 1 17 . 1 1 57 57 TYR N N 57 116.808 116.808 119.822 -3.014 19215 4954 1 17 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.331 -0.159 19215 4955 1 17 . 1 1 57 57 TYR C C 57 176.085 176.085 177.321 -1.236 19215 4956 1 17 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.990 -1.125 19215 4957 1 17 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.977 -0.414 19215 4958 1 17 . 1 1 57 57 TYR H H 57 7.578 7.578 7.788 -0.210 19215 4959 1 17 . 1 1 58 58 ILE N N 58 115.526 115.526 114.230 1.296 19215 4960 1 17 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.318 -0.053 19215 4961 1 17 . 1 1 58 58 ILE C C 58 174.782 174.782 175.810 -1.028 19215 4962 1 17 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.093 -0.153 19215 4963 1 17 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.676 -0.494 19215 4964 1 17 . 1 1 58 58 ILE H H 58 7.586 7.586 7.939 -0.353 19215 4965 1 18 . 1 1 2 2 TYR N N 2 120.470 120.470 120.173 0.297 19215 4966 1 18 . 1 1 2 2 TYR C C 2 176.535 176.535 176.334 0.201 19215 4967 1 18 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.163 -1.168 19215 4968 1 18 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.217 -1.904 19215 4969 1 18 . 1 1 2 2 TYR H H 2 7.951 7.951 7.739 0.212 19215 4970 1 18 . 1 1 3 3 ILE N N 3 118.307 118.307 116.118 2.189 19215 4971 1 18 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.761 -2.793 19215 4972 1 18 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.474 1.600 19215 4973 1 18 . 1 1 3 3 ILE H H 3 8.381 8.381 8.070 0.311 19215 4974 1 18 . 1 1 5 5 GLU N N 5 118.785 118.785 121.401 -2.616 19215 4975 1 18 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.308 -0.053 19215 4976 1 18 . 1 1 5 5 GLU C C 5 176.267 176.267 175.885 0.382 19215 4977 1 18 . 1 1 5 5 GLU CA C 5 55.959 55.959 55.948 0.011 19215 4978 1 18 . 1 1 5 5 GLU CB C 5 30.034 30.034 29.886 0.148 19215 4979 1 18 . 1 1 5 5 GLU H H 5 7.710 7.710 8.645 -0.935 19215 4980 1 18 . 1 1 6 6 ALA N N 6 131.546 131.546 123.253 8.293 19215 4981 1 18 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.176 -0.601 19215 4982 1 18 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.914 -0.956 19215 4983 1 18 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.044 -2.655 19215 4984 1 18 . 1 1 6 6 ALA H H 6 8.338 8.338 7.944 0.394 19215 4985 1 18 . 1 1 8 8 ARG N N 8 126.915 126.915 124.058 2.857 19215 4986 1 18 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.719 -0.649 19215 4987 1 18 . 1 1 8 8 ARG C C 8 175.110 175.110 175.318 -0.208 19215 4988 1 18 . 1 1 8 8 ARG CA C 8 54.699 54.699 54.808 -0.109 19215 4989 1 18 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.515 -2.437 19215 4990 1 18 . 1 1 8 8 ARG H H 8 8.725 8.725 8.351 0.374 19215 4991 1 18 . 1 1 9 9 ASP N N 9 123.653 123.653 124.397 -0.744 19215 4992 1 18 . 1 1 9 9 ASP C C 9 178.015 178.015 177.311 0.704 19215 4993 1 18 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.376 -1.629 19215 4994 1 18 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.630 -0.786 19215 4995 1 18 . 1 1 9 9 ASP H H 9 8.432 8.432 8.878 -0.446 19215 4996 1 18 . 1 1 10 10 GLY N N 10 111.908 111.908 108.992 2.916 19215 4997 1 18 . 1 1 10 10 GLY C C 10 174.822 174.822 174.232 0.590 19215 4998 1 18 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.428 -0.184 19215 4999 1 18 . 1 1 10 10 GLY H H 10 9.727 9.727 8.741 0.986 19215 5000 1 18 . 1 1 11 11 GLN N N 11 118.395 118.395 119.754 -1.359 19215 5001 1 18 . 1 1 11 11 GLN C C 11 174.711 174.711 174.271 0.440 19215 5002 1 18 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.404 -1.006 19215 5003 1 18 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.305 0.001 19215 5004 1 18 . 1 1 11 11 GLN H H 11 8.416 8.416 7.773 0.643 19215 5005 1 18 . 1 1 12 12 ALA N N 12 121.020 121.020 123.695 -2.675 19215 5006 1 18 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.554 0.389 19215 5007 1 18 . 1 1 12 12 ALA C C 12 177.990 177.990 175.288 2.702 19215 5008 1 18 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.055 -0.544 19215 5009 1 18 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.202 -0.055 19215 5010 1 18 . 1 1 12 12 ALA H H 12 7.933 7.933 8.320 -0.387 19215 5011 1 18 . 1 1 13 13 TYR N N 13 121.755 121.755 117.367 4.388 19215 5012 1 18 . 1 1 13 13 TYR C C 13 175.519 175.519 173.609 1.910 19215 5013 1 18 . 1 1 13 13 TYR CA C 13 59.090 59.090 54.286 4.804 19215 5014 1 18 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.447 2.733 19215 5015 1 18 . 1 1 13 13 TYR H H 13 9.575 9.575 8.228 1.347 19215 5016 1 18 . 1 1 14 14 VAL N N 14 112.251 112.251 119.632 -7.381 19215 5017 1 18 . 1 1 14 14 VAL C C 14 174.074 174.074 174.491 -0.417 19215 5018 1 18 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.215 -0.125 19215 5019 1 18 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.431 -2.680 19215 5020 1 18 . 1 1 14 14 VAL H H 14 9.659 9.659 8.927 0.732 19215 5021 1 18 . 1 1 15 15 ARG N N 15 124.657 124.657 121.912 2.745 19215 5022 1 18 . 1 1 15 15 ARG C C 15 174.948 174.948 175.389 -0.441 19215 5023 1 18 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.001 -1.481 19215 5024 1 18 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.128 2.405 19215 5025 1 18 . 1 1 15 15 ARG H H 15 8.503 8.503 8.328 0.175 19215 5026 1 18 . 1 1 16 16 LYS N N 16 128.240 128.240 125.701 2.539 19215 5027 1 18 . 1 1 16 16 LYS C C 16 175.974 175.974 175.737 0.237 19215 5028 1 18 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.424 0.352 19215 5029 1 18 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.277 1.276 19215 5030 1 18 . 1 1 16 16 LYS H H 16 9.052 9.052 7.982 1.070 19215 5031 1 18 . 1 1 17 17 ASP N N 17 130.562 130.562 126.444 4.118 19215 5032 1 18 . 1 1 17 17 ASP C C 17 175.822 175.822 176.299 -0.477 19215 5033 1 18 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.055 1.392 19215 5034 1 18 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.432 -0.240 19215 5035 1 18 . 1 1 17 17 ASP H H 17 10.886 10.886 9.092 1.794 19215 5036 1 18 . 1 1 18 18 GLY N N 18 104.754 104.754 105.224 -0.470 19215 5037 1 18 . 1 1 18 18 GLY C C 18 173.104 173.104 173.539 -0.435 19215 5038 1 18 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.106 0.138 19215 5039 1 18 . 1 1 18 18 GLY H H 18 9.353 9.353 8.203 1.150 19215 5040 1 18 . 1 1 19 19 GLU N N 19 117.501 117.501 118.985 -1.484 19215 5041 1 18 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.744 -0.096 19215 5042 1 18 . 1 1 19 19 GLU C C 19 176.166 176.166 175.456 0.710 19215 5043 1 18 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.338 -0.473 19215 5044 1 18 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.846 0.284 19215 5045 1 18 . 1 1 19 19 GLU H H 19 7.813 7.813 8.080 -0.267 19215 5046 1 18 . 1 1 20 20 TRP N N 20 122.768 122.768 122.711 0.057 19215 5047 1 18 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.896 -0.229 19215 5048 1 18 . 1 1 20 20 TRP C C 20 176.302 176.302 176.955 -0.653 19215 5049 1 18 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.796 -0.918 19215 5050 1 18 . 1 1 20 20 TRP CB C 20 29.545 29.545 28.841 0.704 19215 5051 1 18 . 1 1 20 20 TRP H H 20 9.094 9.094 8.702 0.392 19215 5052 1 18 . 1 1 21 21 VAL N N 21 123.071 123.071 119.443 3.628 19215 5053 1 18 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.719 0.266 19215 5054 1 18 . 1 1 21 21 VAL C C 21 175.640 175.640 175.371 0.269 19215 5055 1 18 . 1 1 21 21 VAL CA C 21 59.537 59.537 59.903 -0.366 19215 5056 1 18 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.799 -0.148 19215 5057 1 18 . 1 1 21 21 VAL H H 21 9.868 9.868 8.193 1.675 19215 5058 1 18 . 1 1 22 22 LEU N N 22 127.193 127.193 126.589 0.604 19215 5059 1 18 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.508 -0.086 19215 5060 1 18 . 1 1 22 22 LEU C C 22 179.268 179.268 177.941 1.327 19215 5061 1 18 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.732 -0.098 19215 5062 1 18 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.430 -0.151 19215 5063 1 18 . 1 1 22 22 LEU H H 22 8.812 8.812 8.856 -0.044 19215 5064 1 18 . 1 1 23 23 LEU N N 23 126.386 126.386 127.260 -0.874 19215 5065 1 18 . 1 1 23 23 LEU C C 23 178.844 178.844 178.751 0.093 19215 5066 1 18 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.431 -1.028 19215 5067 1 18 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.977 -0.916 19215 5068 1 18 . 1 1 23 23 LEU H H 23 8.562 8.562 8.140 0.422 19215 5069 1 18 . 1 1 24 24 SER N N 24 113.100 113.100 112.836 0.264 19215 5070 1 18 . 1 1 24 24 SER HA H 24 4.621 4.621 4.126 0.495 19215 5071 1 18 . 1 1 24 24 SER C C 24 176.676 176.676 176.475 0.201 19215 5072 1 18 . 1 1 24 24 SER CA C 24 60.960 60.960 61.293 -0.333 19215 5073 1 18 . 1 1 24 24 SER CB C 24 61.650 61.650 62.709 -1.059 19215 5074 1 18 . 1 1 24 24 SER H H 24 9.098 9.098 8.703 0.395 19215 5075 1 18 . 1 1 25 25 THR N N 25 116.715 116.715 114.777 1.938 19215 5076 1 18 . 1 1 25 25 THR HA H 25 3.915 3.915 4.144 -0.229 19215 5077 1 18 . 1 1 25 25 THR CA C 25 64.599 64.599 64.934 -0.335 19215 5078 1 18 . 1 1 25 25 THR CB C 25 68.657 68.657 68.854 -0.197 19215 5079 1 18 . 1 1 25 25 THR H H 25 7.238 7.238 7.709 -0.471 19215 5080 1 18 . 1 1 26 26 PHE N N 26 118.488 118.488 121.657 -3.169 19215 5081 1 18 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.360 -0.250 19215 5082 1 18 . 1 1 26 26 PHE C C 26 176.181 176.181 176.537 -0.356 19215 5083 1 18 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.589 -1.962 19215 5084 1 18 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.416 0.377 19215 5085 1 18 . 1 1 26 26 PHE H H 26 7.945 7.945 8.171 -0.226 19215 5086 1 18 . 1 1 27 27 LEU N N 27 118.525 118.525 118.077 0.448 19215 5087 1 18 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.159 0.364 19215 5088 1 18 . 1 1 27 27 LEU C C 27 177.752 177.752 177.998 -0.246 19215 5089 1 18 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.619 -0.940 19215 5090 1 18 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.274 -0.941 19215 5091 1 18 . 1 1 27 27 LEU H H 27 7.290 7.290 7.562 -0.272 19215 5092 1 18 . 1 1 28 28 GLY N N 28 108.823 108.823 104.715 4.108 19215 5093 1 18 . 1 1 28 28 GLY C C 28 174.630 174.630 174.252 0.378 19215 5094 1 18 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.722 -0.348 19215 5095 1 18 . 1 1 28 28 GLY H H 28 8.242 8.242 8.238 0.004 19215 5096 1 18 . 1 1 29 29 SER N N 29 116.210 116.210 114.889 1.321 19215 5097 1 18 . 1 1 29 29 SER HA H 29 4.626 4.626 4.591 0.035 19215 5098 1 18 . 1 1 29 29 SER C C 29 175.312 175.312 174.101 1.211 19215 5099 1 18 . 1 1 29 29 SER CA C 29 57.992 57.992 57.510 0.482 19215 5100 1 18 . 1 1 29 29 SER CB C 29 63.605 63.605 63.803 -0.198 19215 5101 1 18 . 1 1 29 29 SER H H 29 8.310 8.310 7.868 0.442 19215 5102 1 18 . 1 1 30 30 SER N N 30 118.892 118.892 118.789 0.103 19215 5103 1 18 . 1 1 30 30 SER HA H 30 4.597 4.597 4.417 0.180 19215 5104 1 18 . 1 1 30 30 SER C C 30 175.479 175.479 174.965 0.514 19215 5105 1 18 . 1 1 30 30 SER CA C 30 58.582 58.582 58.239 0.343 19215 5106 1 18 . 1 1 30 30 SER CB C 30 63.605 63.605 61.310 2.295 19215 5107 1 18 . 1 1 30 30 SER H H 30 8.593 8.593 8.560 0.033 19215 5108 1 18 . 1 1 31 31 GLY N N 31 111.354 111.354 110.148 1.206 19215 5109 1 18 . 1 1 31 31 GLY C C 31 174.428 174.428 174.626 -0.198 19215 5110 1 18 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.650 -0.194 19215 5111 1 18 . 1 1 31 31 GLY H H 31 8.584 8.584 8.522 0.062 19215 5112 1 18 . 1 1 32 32 ASN N N 32 119.486 119.486 112.456 7.030 19215 5113 1 18 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.204 0.613 19215 5114 1 18 . 1 1 32 32 ASN C C 32 175.928 175.928 175.416 0.512 19215 5115 1 18 . 1 1 32 32 ASN CA C 32 53.215 53.215 55.012 -1.797 19215 5116 1 18 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.033 1.747 19215 5117 1 18 . 1 1 32 32 ASN H H 32 8.393 8.393 8.473 -0.080 19215 5118 1 18 . 1 1 33 33 GLU N N 33 122.031 122.031 117.730 4.301 19215 5119 1 18 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.941 0.330 19215 5120 1 18 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.511 -1.085 19215 5121 1 18 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.633 -0.305 19215 5122 1 18 . 1 1 33 33 GLU H H 33 8.711 8.711 7.696 1.015 19215 5123 1 18 . 1 1 34 34 GLN N N 34 120.866 120.866 117.048 3.818 19215 5124 1 18 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.018 0.253 19215 5125 1 18 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.994 -2.768 19215 5126 1 18 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.235 0.604 19215 5127 1 18 . 1 1 34 34 GLN H H 34 8.438 8.438 8.244 0.194 19215 5128 1 18 . 1 1 35 35 GLU N N 35 122.323 122.323 121.702 0.621 19215 5129 1 18 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.187 0.132 19215 5130 1 18 . 1 1 35 35 GLU C C 35 177.176 177.176 178.493 -1.317 19215 5131 1 18 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.679 -1.683 19215 5132 1 18 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.386 0.159 19215 5133 1 18 . 1 1 35 35 GLU H H 35 8.424 8.424 8.406 0.018 19215 5134 1 18 . 1 1 36 36 LEU N N 36 122.904 122.904 116.044 6.860 19215 5135 1 18 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.264 0.055 19215 5136 1 18 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.236 -1.339 19215 5137 1 18 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.168 0.328 19215 5138 1 18 . 1 1 36 36 LEU H H 36 8.342 8.342 7.723 0.619 19215 5139 1 18 . 1 1 38 38 GLU N N 38 121.931 121.931 120.207 1.724 19215 5140 1 18 . 1 1 38 38 GLU HA H 38 4.396 4.396 3.998 0.398 19215 5141 1 18 . 1 1 38 38 GLU C C 38 177.318 177.318 179.023 -1.705 19215 5142 1 18 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.753 -3.387 19215 5143 1 18 . 1 1 38 38 GLU CB C 38 29.328 29.328 30.032 -0.704 19215 5144 1 18 . 1 1 38 38 GLU H H 38 8.342 8.342 7.627 0.715 19215 5145 1 18 . 1 1 39 39 LEU N N 39 123.317 123.317 120.052 3.265 19215 5146 1 18 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.097 0.251 19215 5147 1 18 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.562 -1.729 19215 5148 1 18 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.900 -0.513 19215 5149 1 18 . 1 1 39 39 LEU H H 39 8.342 8.342 8.561 -0.219 19215 5150 1 18 . 1 1 40 40 ASP N N 40 119.726 119.726 116.912 2.814 19215 5151 1 18 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.333 0.238 19215 5152 1 18 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.629 -2.040 19215 5153 1 18 . 1 1 40 40 ASP H H 40 8.530 8.530 8.772 -0.242 19215 5154 1 18 . 1 1 41 41 LYS N N 41 121.200 121.200 119.629 1.571 19215 5155 1 18 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.026 0.138 19215 5156 1 18 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.889 -0.669 19215 5157 1 18 . 1 1 41 41 LYS H H 41 8.145 8.145 7.664 0.481 19215 5158 1 18 . 1 1 42 42 TRP N N 42 120.615 120.615 118.556 2.059 19215 5159 1 18 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.321 0.276 19215 5160 1 18 . 1 1 42 42 TRP C C 42 177.641 177.641 178.431 -0.790 19215 5161 1 18 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.715 -2.154 19215 5162 1 18 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.305 0.534 19215 5163 1 18 . 1 1 42 42 TRP H H 42 8.025 8.025 7.727 0.298 19215 5164 1 18 . 1 1 43 43 ALA N N 43 122.056 122.056 120.779 1.277 19215 5165 1 18 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.067 0.073 19215 5166 1 18 . 1 1 43 43 ALA C C 43 172.776 172.776 179.277 -6.501 19215 5167 1 18 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.495 -0.631 19215 5168 1 18 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.882 0.092 19215 5169 1 18 . 1 1 43 43 ALA H H 43 8.199 8.199 8.084 0.115 19215 5170 1 18 . 1 1 44 44 SER N N 44 113.378 113.378 115.187 -1.809 19215 5171 1 18 . 1 1 44 44 SER HA H 44 4.376 4.376 4.204 0.172 19215 5172 1 18 . 1 1 44 44 SER C C 44 176.767 176.767 176.571 0.196 19215 5173 1 18 . 1 1 44 44 SER CA C 44 60.980 60.980 61.613 -0.633 19215 5174 1 18 . 1 1 44 44 SER CB C 44 62.410 62.410 62.767 -0.357 19215 5175 1 18 . 1 1 44 44 SER H H 44 8.210 8.210 7.590 0.620 19215 5176 1 18 . 1 1 45 45 LEU N N 45 123.425 123.425 122.002 1.423 19215 5177 1 18 . 1 1 45 45 LEU HA H 45 4.194 4.194 2.465 1.729 19215 5178 1 18 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.898 -0.292 19215 5179 1 18 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.169 0.001 19215 5180 1 18 . 1 1 45 45 LEU H H 45 7.906 7.906 7.043 0.863 19215 5181 1 18 . 1 1 46 46 TRP N N 46 118.572 118.572 120.931 -2.359 19215 5182 1 18 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.267 0.388 19215 5183 1 18 . 1 1 46 46 TRP C C 46 177.838 177.838 177.321 0.517 19215 5184 1 18 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.038 -2.131 19215 5185 1 18 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.926 -0.707 19215 5186 1 18 . 1 1 46 46 TRP H H 46 8.043 8.043 8.070 -0.027 19215 5187 1 18 . 1 1 47 47 ASN N N 47 116.564 116.564 116.677 -0.113 19215 5188 1 18 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.679 -0.053 19215 5189 1 18 . 1 1 47 47 ASN C C 47 176.904 176.904 176.799 0.105 19215 5190 1 18 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.083 -0.038 19215 5191 1 18 . 1 1 47 47 ASN CB C 47 38.563 38.563 37.876 0.688 19215 5192 1 18 . 1 1 47 47 ASN H H 47 8.174 8.174 8.762 -0.588 19215 5193 1 18 . 1 1 48 48 TRP N N 48 121.421 121.421 119.097 2.324 19215 5194 1 18 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.564 -0.197 19215 5195 1 18 . 1 1 48 48 TRP CA C 48 59.517 59.517 57.309 2.208 19215 5196 1 18 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.979 -0.086 19215 5197 1 18 . 1 1 48 48 TRP H H 48 8.145 8.145 6.999 1.146 19215 5198 1 18 . 1 1 49 49 PHE N N 49 118.299 118.299 119.459 -1.160 19215 5199 1 18 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.064 0.188 19215 5200 1 18 . 1 1 49 49 PHE C C 49 175.565 175.565 177.074 -1.509 19215 5201 1 18 . 1 1 49 49 PHE CA C 49 58.887 58.887 60.134 -1.247 19215 5202 1 18 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.194 1.477 19215 5203 1 18 . 1 1 49 49 PHE H H 49 8.036 8.036 7.278 0.758 19215 5204 1 18 . 1 1 50 50 ASN N N 50 118.836 118.836 118.556 0.280 19215 5205 1 18 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.162 0.464 19215 5206 1 18 . 1 1 50 50 ASN C C 50 176.439 176.439 176.498 -0.059 19215 5207 1 18 . 1 1 50 50 ASN CA C 50 53.215 53.215 56.073 -2.858 19215 5208 1 18 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.404 -0.276 19215 5209 1 18 . 1 1 50 50 ASN H H 50 7.795 7.795 7.391 0.404 19215 5210 1 18 . 1 1 51 51 ILE N N 51 120.218 120.218 119.619 0.599 19215 5211 1 18 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.329 0.462 19215 5212 1 18 . 1 1 51 51 ILE C C 51 177.202 177.202 176.846 0.356 19215 5213 1 18 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.694 -1.591 19215 5214 1 18 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.071 0.296 19215 5215 1 18 . 1 1 51 51 ILE H H 51 8.147 8.147 8.395 -0.248 19215 5216 1 18 . 1 1 52 52 THR N N 52 115.352 115.352 113.234 2.118 19215 5217 1 18 . 1 1 52 52 THR HA H 52 4.031 4.031 4.091 -0.060 19215 5218 1 18 . 1 1 52 52 THR C C 52 176.095 176.095 176.821 -0.726 19215 5219 1 18 . 1 1 52 52 THR CA C 52 65.148 65.148 65.997 -0.849 19215 5220 1 18 . 1 1 52 52 THR CB C 52 68.277 68.277 68.590 -0.312 19215 5221 1 18 . 1 1 52 52 THR H H 52 8.009 8.009 7.631 0.378 19215 5222 1 18 . 1 1 53 53 ASN N N 53 119.874 119.874 120.374 -0.500 19215 5223 1 18 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.509 0.127 19215 5224 1 18 . 1 1 53 53 ASN C C 53 176.530 176.530 177.714 -1.184 19215 5225 1 18 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.166 -1.709 19215 5226 1 18 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.756 -0.954 19215 5227 1 18 . 1 1 53 53 ASN H H 53 7.972 7.972 7.495 0.477 19215 5228 1 18 . 1 1 54 54 TRP N N 54 120.192 120.192 120.106 0.086 19215 5229 1 18 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.794 -0.139 19215 5230 1 18 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.808 0.835 19215 5231 1 18 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.235 0.930 19215 5232 1 18 . 1 1 54 54 TRP H H 54 7.897 7.897 8.512 -0.615 19215 5233 1 18 . 1 1 55 55 LEU N N 55 118.354 118.354 121.342 -2.988 19215 5234 1 18 . 1 1 55 55 LEU HA H 55 4.088 4.088 4.020 0.068 19215 5235 1 18 . 1 1 55 55 LEU C C 55 177.975 177.975 178.606 -0.631 19215 5236 1 18 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.782 -2.312 19215 5237 1 18 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.768 -0.870 19215 5238 1 18 . 1 1 55 55 LEU H H 55 7.931 7.931 7.629 0.302 19215 5239 1 18 . 1 1 56 56 TRP N N 56 118.335 118.335 116.897 1.438 19215 5240 1 18 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.370 -0.003 19215 5241 1 18 . 1 1 56 56 TRP C C 56 176.863 176.863 178.372 -1.509 19215 5242 1 18 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.099 -2.029 19215 5243 1 18 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.941 -0.102 19215 5244 1 18 . 1 1 56 56 TRP H H 56 7.665 7.665 7.936 -0.271 19215 5245 1 18 . 1 1 57 57 TYR N N 57 116.808 116.808 119.123 -2.315 19215 5246 1 18 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.297 -0.125 19215 5247 1 18 . 1 1 57 57 TYR C C 57 176.085 176.085 177.357 -1.272 19215 5248 1 18 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.819 -0.954 19215 5249 1 18 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.200 -0.637 19215 5250 1 18 . 1 1 57 57 TYR H H 57 7.578 7.578 7.692 -0.114 19215 5251 1 18 . 1 1 58 58 ILE N N 58 115.526 115.526 113.599 1.927 19215 5252 1 18 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.214 0.051 19215 5253 1 18 . 1 1 58 58 ILE C C 58 174.782 174.782 176.045 -1.263 19215 5254 1 18 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.603 -0.663 19215 5255 1 18 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.801 -0.619 19215 5256 1 18 . 1 1 58 58 ILE H H 58 7.586 7.586 8.416 -0.830 19215 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 3.365 -0.977 3.250 19215 2 1 1 "Average Difference" HA 44 0.464 -0.166 0.438 19215 3 1 1 "Average Difference" C 42 1.385 0.205 1.386 19215 4 1 1 "Average Difference" CA 54 1.516 0.736 1.338 19215 5 1 1 "Average Difference" CB 48 1.266 0.119 1.274 19215 6 1 1 "Average Difference" HN 54 0.686 -0.299 0.623 19215 7 1 2 "Average Difference" N 54 2.844 -0.793 2.757 19215 8 1 2 "Average Difference" HA 44 0.386 -0.144 0.362 19215 9 1 2 "Average Difference" C 42 1.364 0.220 1.362 19215 10 1 2 "Average Difference" CA 54 1.423 0.800 1.188 19215 11 1 2 "Average Difference" CB 48 1.115 0.094 1.123 19215 12 1 2 "Average Difference" HN 54 0.732 -0.353 0.648 19215 13 1 3 "Average Difference" N 54 2.895 -0.804 2.807 19215 14 1 3 "Average Difference" HA 44 0.409 -0.136 0.390 19215 15 1 3 "Average Difference" C 42 1.397 0.241 1.393 19215 16 1 3 "Average Difference" CA 54 1.400 0.791 1.166 19215 17 1 3 "Average Difference" CB 48 1.118 0.061 1.128 19215 18 1 3 "Average Difference" HN 54 0.673 -0.319 0.598 19215 19 1 4 "Average Difference" N 54 2.948 -0.582 2.917 19215 20 1 4 "Average Difference" HA 44 0.459 -0.168 0.433 19215 21 1 4 "Average Difference" C 42 1.357 0.300 1.340 19215 22 1 4 "Average Difference" CA 54 1.462 0.790 1.241 19215 23 1 4 "Average Difference" CB 48 1.154 0.096 1.163 19215 24 1 4 "Average Difference" HN 54 0.685 -0.335 0.604 19215 25 1 5 "Average Difference" N 54 2.845 -0.604 2.806 19215 26 1 5 "Average Difference" HA 44 0.429 -0.226 0.369 19215 27 1 5 "Average Difference" C 42 1.422 0.197 1.426 19215 28 1 5 "Average Difference" CA 54 1.429 0.904 1.117 19215 29 1 5 "Average Difference" CB 48 1.136 0.104 1.143 19215 30 1 5 "Average Difference" HN 54 0.723 -0.394 0.612 19215 31 1 6 "Average Difference" N 54 2.873 -0.769 2.794 19215 32 1 6 "Average Difference" HA 44 0.453 -0.182 0.420 19215 33 1 6 "Average Difference" C 42 1.371 0.181 1.375 19215 34 1 6 "Average Difference" CA 54 1.456 0.754 1.258 19215 35 1 6 "Average Difference" CB 48 1.204 0.071 1.215 19215 36 1 6 "Average Difference" HN 54 0.710 -0.288 0.655 19215 37 1 7 "Average Difference" N 54 2.950 -0.606 2.914 19215 38 1 7 "Average Difference" HA 44 0.479 -0.186 0.447 19215 39 1 7 "Average Difference" C 42 1.382 -0.024 1.399 19215 40 1 7 "Average Difference" CA 54 1.452 0.616 1.328 19215 41 1 7 "Average Difference" CB 48 1.133 0.146 1.135 19215 42 1 7 "Average Difference" HN 54 0.731 -0.336 0.656 19215 43 1 8 "Average Difference" N 54 3.035 -0.619 2.999 19215 44 1 8 "Average Difference" HA 44 0.388 -0.123 0.372 19215 45 1 8 "Average Difference" C 42 1.356 0.069 1.371 19215 46 1 8 "Average Difference" CA 54 1.495 0.678 1.345 19215 47 1 8 "Average Difference" CB 48 1.137 0.142 1.140 19215 48 1 8 "Average Difference" HN 54 0.720 -0.362 0.628 19215 49 1 9 "Average Difference" N 54 3.487 -0.722 3.443 19215 50 1 9 "Average Difference" HA 44 0.498 -0.166 0.475 19215 51 1 9 "Average Difference" C 42 1.387 0.265 1.378 19215 52 1 9 "Average Difference" CA 54 1.481 0.823 1.243 19215 53 1 9 "Average Difference" CB 48 1.200 0.062 1.211 19215 54 1 9 "Average Difference" HN 54 0.707 -0.310 0.642 19215 55 1 10 "Average Difference" N 54 3.042 -0.796 2.963 19215 56 1 10 "Average Difference" HA 44 0.500 -0.210 0.458 19215 57 1 10 "Average Difference" C 42 1.350 0.258 1.342 19215 58 1 10 "Average Difference" CA 54 1.485 0.851 1.228 19215 59 1 10 "Average Difference" CB 48 1.154 0.084 1.163 19215 60 1 10 "Average Difference" HN 54 0.693 -0.280 0.640 19215 61 1 11 "Average Difference" N 54 2.966 -0.971 2.830 19215 62 1 11 "Average Difference" HA 44 0.448 -0.197 0.407 19215 63 1 11 "Average Difference" C 42 1.455 0.216 1.456 19215 64 1 11 "Average Difference" CA 54 1.586 0.728 1.422 19215 65 1 11 "Average Difference" CB 48 1.199 0.046 1.210 19215 66 1 11 "Average Difference" HN 54 0.650 -0.278 0.593 19215 67 1 12 "Average Difference" N 54 2.840 -0.549 2.812 19215 68 1 12 "Average Difference" HA 44 0.305 -0.134 0.277 19215 69 1 12 "Average Difference" C 42 1.510 0.241 1.509 19215 70 1 12 "Average Difference" CA 54 1.379 0.909 1.047 19215 71 1 12 "Average Difference" CB 48 1.226 0.067 1.237 19215 72 1 12 "Average Difference" HN 54 0.669 -0.300 0.603 19215 73 1 13 "Average Difference" N 54 2.851 -0.531 2.827 19215 74 1 13 "Average Difference" HA 44 0.321 -0.145 0.289 19215 75 1 13 "Average Difference" C 42 1.472 0.266 1.465 19215 76 1 13 "Average Difference" CA 54 1.467 0.962 1.119 19215 77 1 13 "Average Difference" CB 48 1.223 0.099 1.231 19215 78 1 13 "Average Difference" HN 54 0.665 -0.287 0.606 19215 79 1 14 "Average Difference" N 54 2.850 -0.579 2.816 19215 80 1 14 "Average Difference" HA 44 0.323 -0.142 0.293 19215 81 1 14 "Average Difference" C 42 1.481 0.267 1.474 19215 82 1 14 "Average Difference" CA 54 1.413 0.908 1.093 19215 83 1 14 "Average Difference" CB 48 1.212 0.089 1.222 19215 84 1 14 "Average Difference" HN 54 0.677 -0.305 0.610 19215 85 1 15 "Average Difference" N 54 2.901 -0.448 2.893 19215 86 1 15 "Average Difference" HA 44 0.382 -0.173 0.345 19215 87 1 15 "Average Difference" C 42 1.395 0.211 1.396 19215 88 1 15 "Average Difference" CA 54 1.432 0.908 1.118 19215 89 1 15 "Average Difference" CB 48 1.084 0.126 1.088 19215 90 1 15 "Average Difference" HN 54 0.667 -0.290 0.607 19215 91 1 16 "Average Difference" N 54 3.029 -0.882 2.925 19215 92 1 16 "Average Difference" HA 44 0.392 -0.186 0.349 19215 93 1 16 "Average Difference" C 42 1.471 0.171 1.479 19215 94 1 16 "Average Difference" CA 54 1.468 0.739 1.281 19215 95 1 16 "Average Difference" CB 48 1.184 0.052 1.195 19215 96 1 16 "Average Difference" HN 54 0.700 -0.335 0.621 19215 97 1 17 "Average Difference" N 54 3.077 -0.669 3.031 19215 98 1 17 "Average Difference" HA 44 0.441 -0.172 0.410 19215 99 1 17 "Average Difference" C 42 1.348 0.111 1.359 19215 100 1 17 "Average Difference" CA 54 1.353 0.740 1.144 19215 101 1 17 "Average Difference" CB 48 1.146 0.015 1.158 19215 102 1 17 "Average Difference" HN 54 0.648 -0.321 0.568 19215 103 1 18 "Average Difference" N 54 2.934 -1.066 2.760 19215 104 1 18 "Average Difference" HA 44 0.404 -0.165 0.373 19215 105 1 18 "Average Difference" C 42 1.348 0.199 1.349 19215 106 1 18 "Average Difference" CA 54 1.535 0.797 1.325 19215 107 1 18 "Average Difference" CB 48 1.141 0.044 1.152 19215 108 1 18 "Average Difference" HN 54 0.647 -0.273 0.593 19215 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 19215 _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 TYR N N 2 120.470 120.470 120.120 0.350 19215 2 1 . 1 1 2 2 TYR C C 2 176.535 176.535 176.018 0.517 19215 3 1 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.384 -1.389 19215 4 1 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.550 -2.237 19215 5 1 . 1 1 2 2 TYR H H 2 7.951 7.951 7.939 0.012 19215 6 1 . 1 1 3 3 ILE N N 3 118.307 118.307 117.171 1.136 19215 7 1 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.635 -2.667 19215 8 1 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.625 1.449 19215 9 1 . 1 1 3 3 ILE H H 3 8.381 8.381 8.164 0.216 19215 10 1 . 1 1 5 5 GLU N N 5 118.785 118.785 121.509 -2.724 19215 11 1 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.370 -0.115 19215 12 1 . 1 1 5 5 GLU C C 5 176.267 176.267 175.886 0.381 19215 13 1 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.273 -0.314 19215 14 1 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.198 -0.164 19215 15 1 . 1 1 5 5 GLU H H 5 7.710 7.710 8.702 -0.992 19215 16 1 . 1 1 6 6 ALA N N 6 131.546 131.546 122.854 8.692 19215 17 1 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.141 -0.566 19215 18 1 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.891 -0.932 19215 19 1 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.231 -2.842 19215 20 1 . 1 1 6 6 ALA H H 6 8.338 8.338 7.994 0.344 19215 21 1 . 1 1 8 8 ARG N N 8 126.915 126.915 124.262 2.653 19215 22 1 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.642 -0.572 19215 23 1 . 1 1 8 8 ARG C C 8 175.110 175.110 175.160 -0.050 19215 24 1 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.304 -0.605 19215 25 1 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.690 -2.612 19215 26 1 . 1 1 8 8 ARG H H 8 8.725 8.725 8.382 0.343 19215 27 1 . 1 1 9 9 ASP N N 9 123.653 123.653 123.492 0.161 19215 28 1 . 1 1 9 9 ASP C C 9 178.015 178.015 176.990 1.025 19215 29 1 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.609 -1.862 19215 30 1 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.456 -0.612 19215 31 1 . 1 1 9 9 ASP H H 9 8.432 8.432 8.713 -0.281 19215 32 1 . 1 1 10 10 GLY N N 10 111.908 111.908 108.545 3.363 19215 33 1 . 1 1 10 10 GLY C C 10 174.822 174.822 174.677 0.145 19215 34 1 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.364 -0.120 19215 35 1 . 1 1 10 10 GLY H H 10 9.727 9.727 8.458 1.269 19215 36 1 . 1 1 11 11 GLN N N 11 118.395 118.395 119.695 -1.300 19215 37 1 . 1 1 11 11 GLN C C 11 174.711 174.711 174.516 0.195 19215 38 1 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.139 -1.741 19215 39 1 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.090 0.216 19215 40 1 . 1 1 11 11 GLN H H 11 8.416 8.416 7.928 0.488 19215 41 1 . 1 1 12 12 ALA N N 12 121.020 121.020 125.272 -4.252 19215 42 1 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.472 0.471 19215 43 1 . 1 1 12 12 ALA C C 12 177.990 177.990 175.694 2.296 19215 44 1 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.180 -0.669 19215 45 1 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.517 -0.370 19215 46 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.443 -0.510 19215 47 1 . 1 1 13 13 TYR N N 13 121.755 121.755 117.386 4.369 19215 48 1 . 1 1 13 13 TYR C C 13 175.519 175.519 173.579 1.940 19215 49 1 . 1 1 13 13 TYR CA C 13 59.090 59.090 55.254 3.836 19215 50 1 . 1 1 13 13 TYR CB C 13 43.180 43.180 40.298 2.882 19215 51 1 . 1 1 13 13 TYR H H 13 9.575 9.575 7.793 1.782 19215 52 1 . 1 1 14 14 VAL N N 14 112.251 112.251 119.507 -7.256 19215 53 1 . 1 1 14 14 VAL C C 14 174.074 174.074 174.602 -0.528 19215 54 1 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.429 -0.339 19215 55 1 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.446 -2.696 19215 56 1 . 1 1 14 14 VAL H H 14 9.659 9.659 8.921 0.738 19215 57 1 . 1 1 15 15 ARG N N 15 124.657 124.657 122.850 1.807 19215 58 1 . 1 1 15 15 ARG C C 15 174.948 174.948 175.619 -0.671 19215 59 1 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.093 -1.573 19215 60 1 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.235 2.298 19215 61 1 . 1 1 15 15 ARG H H 15 8.503 8.503 8.505 -0.002 19215 62 1 . 1 1 16 16 LYS N N 16 128.240 128.240 125.988 2.252 19215 63 1 . 1 1 16 16 LYS C C 16 175.974 175.974 175.411 0.563 19215 64 1 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.577 0.199 19215 65 1 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.049 1.504 19215 66 1 . 1 1 16 16 LYS H H 16 9.052 9.052 8.223 0.829 19215 67 1 . 1 1 17 17 ASP N N 17 130.562 130.562 124.609 5.953 19215 68 1 . 1 1 17 17 ASP C C 17 175.822 175.822 175.937 -0.115 19215 69 1 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.873 1.574 19215 70 1 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.330 0.862 19215 71 1 . 1 1 17 17 ASP H H 17 10.886 10.886 8.923 1.963 19215 72 1 . 1 1 18 18 GLY N N 18 104.754 104.754 105.090 -0.336 19215 73 1 . 1 1 18 18 GLY C C 18 173.104 173.104 173.227 -0.123 19215 74 1 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.129 0.115 19215 75 1 . 1 1 18 18 GLY H H 18 9.353 9.353 8.349 1.004 19215 76 1 . 1 1 19 19 GLU N N 19 117.501 117.501 118.306 -0.805 19215 77 1 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.068 0.580 19215 78 1 . 1 1 19 19 GLU C C 19 176.166 176.166 174.941 1.225 19215 79 1 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.981 -0.116 19215 80 1 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.110 0.020 19215 81 1 . 1 1 19 19 GLU H H 19 7.813 7.813 7.963 -0.150 19215 82 1 . 1 1 20 20 TRP N N 20 122.768 122.768 122.601 0.167 19215 83 1 . 1 1 20 20 TRP HA H 20 4.667 4.667 4.975 -0.308 19215 84 1 . 1 1 20 20 TRP C C 20 176.302 176.302 176.473 -0.171 19215 85 1 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.430 -0.552 19215 86 1 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.445 0.100 19215 87 1 . 1 1 20 20 TRP H H 20 9.094 9.094 8.048 1.046 19215 88 1 . 1 1 21 21 VAL N N 21 123.071 123.071 122.881 0.190 19215 89 1 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.497 0.489 19215 90 1 . 1 1 21 21 VAL C C 21 175.640 175.640 175.324 0.316 19215 91 1 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.282 -0.745 19215 92 1 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.184 -0.533 19215 93 1 . 1 1 21 21 VAL H H 21 9.868 9.868 8.497 1.371 19215 94 1 . 1 1 22 22 LEU N N 22 127.193 127.193 127.947 -0.754 19215 95 1 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.559 -0.137 19215 96 1 . 1 1 22 22 LEU C C 22 179.268 179.268 178.512 0.756 19215 97 1 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.614 0.019 19215 98 1 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.845 -0.566 19215 99 1 . 1 1 22 22 LEU H H 22 8.812 8.812 8.836 -0.024 19215 100 1 . 1 1 23 23 LEU N N 23 126.386 126.386 127.724 -1.338 19215 101 1 . 1 1 23 23 LEU C C 23 178.844 178.844 178.481 0.363 19215 102 1 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.025 -0.622 19215 103 1 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.982 -0.921 19215 104 1 . 1 1 23 23 LEU H H 23 8.562 8.562 8.336 0.226 19215 105 1 . 1 1 24 24 SER N N 24 113.100 113.100 113.948 -0.848 19215 106 1 . 1 1 24 24 SER HA H 24 4.621 4.621 4.113 0.508 19215 107 1 . 1 1 24 24 SER C C 24 176.676 176.676 176.433 0.243 19215 108 1 . 1 1 24 24 SER CA C 24 60.960 60.960 61.483 -0.523 19215 109 1 . 1 1 24 24 SER CB C 24 61.650 61.650 62.579 -0.929 19215 110 1 . 1 1 24 24 SER H H 24 9.098 9.098 8.670 0.428 19215 111 1 . 1 1 25 25 THR N N 25 116.715 116.715 116.199 0.516 19215 112 1 . 1 1 25 25 THR HA H 25 3.915 3.915 4.135 -0.220 19215 113 1 . 1 1 25 25 THR CA C 25 64.599 64.599 65.251 -0.652 19215 114 1 . 1 1 25 25 THR CB C 25 68.657 68.657 68.819 -0.162 19215 115 1 . 1 1 25 25 THR H H 25 7.238 7.238 7.805 -0.567 19215 116 1 . 1 1 26 26 PHE N N 26 118.488 118.488 120.430 -1.942 19215 117 1 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.495 -0.385 19215 118 1 . 1 1 26 26 PHE C C 26 176.181 176.181 176.488 -0.307 19215 119 1 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.739 -1.112 19215 120 1 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.716 0.077 19215 121 1 . 1 1 26 26 PHE H H 26 7.945 7.945 8.171 -0.226 19215 122 1 . 1 1 27 27 LEU N N 27 118.525 118.525 119.540 -1.015 19215 123 1 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.255 0.268 19215 124 1 . 1 1 27 27 LEU C C 27 177.752 177.752 177.718 0.034 19215 125 1 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.736 -1.057 19215 126 1 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.605 -1.272 19215 127 1 . 1 1 27 27 LEU H H 27 7.290 7.290 7.681 -0.391 19215 128 1 . 1 1 28 28 GLY N N 28 108.823 108.823 106.131 2.692 19215 129 1 . 1 1 28 28 GLY C C 28 174.630 174.630 174.221 0.409 19215 130 1 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.969 0.405 19215 131 1 . 1 1 28 28 GLY H H 28 8.242 8.242 7.952 0.290 19215 132 1 . 1 1 29 29 SER N N 29 116.210 116.210 117.009 -0.799 19215 133 1 . 1 1 29 29 SER HA H 29 4.626 4.626 4.240 0.386 19215 134 1 . 1 1 29 29 SER C C 29 175.312 175.312 174.617 0.695 19215 135 1 . 1 1 29 29 SER CA C 29 57.992 57.992 59.053 -1.061 19215 136 1 . 1 1 29 29 SER CB C 29 63.605 63.605 62.940 0.665 19215 137 1 . 1 1 29 29 SER H H 29 8.310 8.310 8.220 0.090 19215 138 1 . 1 1 30 30 SER N N 30 118.892 118.892 117.164 1.728 19215 139 1 . 1 1 30 30 SER HA H 30 4.597 4.597 4.408 0.189 19215 140 1 . 1 1 30 30 SER C C 30 175.479 175.479 174.916 0.563 19215 141 1 . 1 1 30 30 SER CA C 30 58.582 58.582 59.166 -0.584 19215 142 1 . 1 1 30 30 SER CB C 30 63.605 63.605 62.611 0.994 19215 143 1 . 1 1 30 30 SER H H 30 8.593 8.593 8.562 0.031 19215 144 1 . 1 1 31 31 GLY N N 31 111.354 111.354 108.752 2.602 19215 145 1 . 1 1 31 31 GLY C C 31 174.428 174.428 174.062 0.366 19215 146 1 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.603 -0.147 19215 147 1 . 1 1 31 31 GLY H H 31 8.584 8.584 8.099 0.485 19215 148 1 . 1 1 32 32 ASN N N 32 119.486 119.486 115.464 4.022 19215 149 1 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.472 0.345 19215 150 1 . 1 1 32 32 ASN C C 32 175.928 175.928 175.983 -0.055 19215 151 1 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.073 -0.858 19215 152 1 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.733 1.048 19215 153 1 . 1 1 32 32 ASN H H 32 8.393 8.393 8.298 0.095 19215 154 1 . 1 1 33 33 GLU N N 33 122.031 122.031 119.278 2.753 19215 155 1 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.947 0.324 19215 156 1 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.031 -1.605 19215 157 1 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.173 0.155 19215 158 1 . 1 1 33 33 GLU H H 33 8.711 8.711 8.178 0.533 19215 159 1 . 1 1 34 34 GLN N N 34 120.866 120.866 118.213 2.653 19215 160 1 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.079 0.192 19215 161 1 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.856 -2.630 19215 162 1 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.315 0.524 19215 163 1 . 1 1 34 34 GLN H H 34 8.438 8.438 8.026 0.412 19215 164 1 . 1 1 35 35 GLU N N 35 122.323 122.323 119.947 2.376 19215 165 1 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.146 0.173 19215 166 1 . 1 1 35 35 GLU C C 35 177.176 177.176 178.944 -1.768 19215 167 1 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.862 -1.866 19215 168 1 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.323 0.222 19215 169 1 . 1 1 35 35 GLU H H 35 8.424 8.424 7.915 0.509 19215 170 1 . 1 1 36 36 LEU N N 36 122.904 122.904 117.647 5.257 19215 171 1 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.176 0.143 19215 172 1 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.533 -1.635 19215 173 1 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.643 -0.147 19215 174 1 . 1 1 36 36 LEU H H 36 8.342 8.342 7.576 0.766 19215 175 1 . 1 1 38 38 GLU N N 38 121.931 121.931 120.174 1.757 19215 176 1 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.111 0.285 19215 177 1 . 1 1 38 38 GLU C C 38 177.318 177.318 178.743 -1.425 19215 178 1 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.442 -3.076 19215 179 1 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.662 -0.334 19215 180 1 . 1 1 38 38 GLU H H 38 8.342 8.342 7.973 0.369 19215 181 1 . 1 1 39 39 LEU N N 39 123.317 123.317 119.815 3.502 19215 182 1 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.317 1.031 19215 183 1 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.971 -1.138 19215 184 1 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.540 -0.153 19215 185 1 . 1 1 39 39 LEU H H 39 8.342 8.342 7.746 0.596 19215 186 1 . 1 1 40 40 ASP N N 40 119.726 119.726 117.880 1.846 19215 187 1 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.277 0.294 19215 188 1 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.550 -1.961 19215 189 1 . 1 1 40 40 ASP H H 40 8.530 8.530 8.300 0.230 19215 190 1 . 1 1 41 41 LYS N N 41 121.200 121.200 119.916 1.284 19215 191 1 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.096 0.068 19215 192 1 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.971 -0.751 19215 193 1 . 1 1 41 41 LYS H H 41 8.145 8.145 7.687 0.458 19215 194 1 . 1 1 42 42 TRP N N 42 120.615 120.615 119.144 1.471 19215 195 1 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.421 0.176 19215 196 1 . 1 1 42 42 TRP C C 42 177.641 177.641 178.491 -0.850 19215 197 1 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.462 -0.901 19215 198 1 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.239 0.600 19215 199 1 . 1 1 42 42 TRP H H 42 8.025 8.025 7.854 0.171 19215 200 1 . 1 1 43 43 ALA N N 43 122.056 122.056 121.385 0.671 19215 201 1 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.082 0.058 19215 202 1 . 1 1 43 43 ALA C C 43 172.776 172.776 179.681 -6.905 19215 203 1 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.364 -0.501 19215 204 1 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.952 0.022 19215 205 1 . 1 1 43 43 ALA H H 43 8.199 8.199 7.895 0.304 19215 206 1 . 1 1 44 44 SER N N 44 113.378 113.378 115.179 -1.801 19215 207 1 . 1 1 44 44 SER HA H 44 4.376 4.376 4.211 0.165 19215 208 1 . 1 1 44 44 SER C C 44 176.767 176.767 176.691 0.076 19215 209 1 . 1 1 44 44 SER CA C 44 60.980 60.980 61.850 -0.870 19215 210 1 . 1 1 44 44 SER CB C 44 62.410 62.410 62.837 -0.427 19215 211 1 . 1 1 44 44 SER H H 44 8.210 8.210 7.665 0.545 19215 212 1 . 1 1 45 45 LEU N N 45 123.425 123.425 120.854 2.571 19215 213 1 . 1 1 45 45 LEU HA H 45 4.194 4.194 3.492 0.702 19215 214 1 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.473 0.133 19215 215 1 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.564 -0.394 19215 216 1 . 1 1 45 45 LEU H H 45 7.906 7.906 7.362 0.544 19215 217 1 . 1 1 46 46 TRP N N 46 118.572 118.572 120.525 -1.953 19215 218 1 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.426 0.229 19215 219 1 . 1 1 46 46 TRP C C 46 177.838 177.838 177.908 -0.070 19215 220 1 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.818 -1.911 19215 221 1 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.786 -0.567 19215 222 1 . 1 1 46 46 TRP H H 46 8.043 8.043 8.237 -0.194 19215 223 1 . 1 1 47 47 ASN N N 47 116.564 116.564 117.841 -1.277 19215 224 1 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.588 0.038 19215 225 1 . 1 1 47 47 ASN C C 47 176.904 176.904 177.723 -0.819 19215 226 1 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.885 -0.840 19215 227 1 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.311 0.252 19215 228 1 . 1 1 47 47 ASN H H 47 8.174 8.174 8.696 -0.522 19215 229 1 . 1 1 48 48 TRP N N 48 121.421 121.421 120.850 0.571 19215 230 1 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.525 -0.158 19215 231 1 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.163 1.354 19215 232 1 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.053 0.840 19215 233 1 . 1 1 48 48 TRP H H 48 8.145 8.145 7.753 0.392 19215 234 1 . 1 1 49 49 PHE N N 49 118.299 118.299 119.993 -1.694 19215 235 1 . 1 1 49 49 PHE HA H 49 4.252 4.252 4.155 0.097 19215 236 1 . 1 1 49 49 PHE C C 49 175.565 175.565 176.554 -0.989 19215 237 1 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.555 -0.668 19215 238 1 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.004 0.667 19215 239 1 . 1 1 49 49 PHE H H 49 8.036 8.036 7.519 0.517 19215 240 1 . 1 1 50 50 ASN N N 50 118.836 118.836 119.168 -0.332 19215 241 1 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.274 0.351 19215 242 1 . 1 1 50 50 ASN C C 50 176.439 176.439 176.735 -0.296 19215 243 1 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.494 -2.280 19215 244 1 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.344 -0.216 19215 245 1 . 1 1 50 50 ASN H H 50 7.795 7.795 7.603 0.192 19215 246 1 . 1 1 51 51 ILE N N 51 120.218 120.218 117.074 3.144 19215 247 1 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.484 0.307 19215 248 1 . 1 1 51 51 ILE C C 51 177.202 177.202 176.819 0.383 19215 249 1 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.488 -1.386 19215 250 1 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.184 0.183 19215 251 1 . 1 1 51 51 ILE H H 51 8.147 8.147 7.721 0.426 19215 252 1 . 1 1 52 52 THR N N 52 115.352 115.352 112.912 2.440 19215 253 1 . 1 1 52 52 THR HA H 52 4.031 4.031 4.016 0.015 19215 254 1 . 1 1 52 52 THR C C 52 176.095 176.095 176.356 -0.261 19215 255 1 . 1 1 52 52 THR CA C 52 65.148 65.148 65.608 -0.460 19215 256 1 . 1 1 52 52 THR CB C 52 68.277 68.277 68.643 -0.366 19215 257 1 . 1 1 52 52 THR H H 52 8.009 8.009 7.568 0.441 19215 258 1 . 1 1 53 53 ASN N N 53 119.874 119.874 120.796 -0.922 19215 259 1 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.550 0.086 19215 260 1 . 1 1 53 53 ASN C C 53 176.530 176.530 177.525 -0.995 19215 261 1 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.895 -1.438 19215 262 1 . 1 1 53 53 ASN CB C 53 37.802 37.802 38.147 -0.345 19215 263 1 . 1 1 53 53 ASN H H 53 7.972 7.972 7.676 0.296 19215 264 1 . 1 1 54 54 TRP N N 54 120.192 120.192 119.189 1.003 19215 265 1 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.672 -0.017 19215 266 1 . 1 1 54 54 TRP CA C 54 58.643 58.643 57.939 0.704 19215 267 1 . 1 1 54 54 TRP CB C 54 29.165 29.165 28.480 0.685 19215 268 1 . 1 1 54 54 TRP H H 54 7.897 7.897 7.550 0.347 19215 269 1 . 1 1 55 55 LEU N N 55 118.354 118.354 121.712 -3.358 19215 270 1 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.916 0.172 19215 271 1 . 1 1 55 55 LEU C C 55 177.975 177.975 178.577 -0.602 19215 272 1 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.403 -1.933 19215 273 1 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.359 -0.461 19215 274 1 . 1 1 55 55 LEU H H 55 7.931 7.931 7.628 0.303 19215 275 1 . 1 1 56 56 TRP N N 56 118.335 118.335 117.364 0.971 19215 276 1 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.336 0.031 19215 277 1 . 1 1 56 56 TRP C C 56 176.863 176.863 178.072 -1.209 19215 278 1 . 1 1 56 56 TRP CA C 56 59.070 59.070 59.973 -0.903 19215 279 1 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.797 0.042 19215 280 1 . 1 1 56 56 TRP H H 56 7.665 7.665 7.532 0.133 19215 281 1 . 1 1 57 57 TYR N N 57 116.808 116.808 119.489 -2.681 19215 282 1 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.208 -0.036 19215 283 1 . 1 1 57 57 TYR C C 57 176.085 176.085 177.398 -1.313 19215 284 1 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.899 -1.034 19215 285 1 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.988 -0.425 19215 286 1 . 1 1 57 57 TYR H H 57 7.578 7.578 7.574 0.004 19215 287 1 . 1 1 58 58 ILE N N 58 115.526 115.526 116.167 -0.641 19215 288 1 . 1 1 58 58 ILE HA H 58 4.265 4.265 3.954 0.311 19215 289 1 . 1 1 58 58 ILE C C 58 174.782 174.782 176.136 -1.354 19215 290 1 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.542 -1.602 19215 291 1 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.779 -0.597 19215 292 1 . 1 1 58 58 ILE H H 58 7.586 7.586 8.277 -0.691 19215 stop_ save_