data_19282 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19282 _Entry.PDB_ID 2M94 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 19282 _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 ALA HA H 2 4.384 4.384 4.852 -0.468 19282 2 1 1 . 1 1 2 2 ALA C C 2 177.184 177.184 177.354 -0.170 19282 3 1 1 . 1 1 2 2 ALA CA C 2 52.459 52.459 50.656 1.803 19282 4 1 1 . 1 1 2 2 ALA CB C 2 19.488 19.488 20.737 -1.249 19282 5 1 1 . 1 1 3 3 LYS N N 3 120.996 120.996 125.951 -4.955 19282 6 1 1 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.044 0.275 19282 7 1 1 . 1 1 3 3 LYS C C 3 176.038 176.038 176.083 -0.045 19282 8 1 1 . 1 1 3 3 LYS CA C 3 56.188 56.188 58.308 -2.120 19282 9 1 1 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.949 0.312 19282 10 1 1 . 1 1 3 3 LYS H H 3 8.272 8.272 8.363 -0.091 19282 11 1 1 . 1 1 4 4 LEU N N 4 124.847 124.847 116.654 8.193 19282 12 1 1 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.596 -0.200 19282 13 1 1 . 1 1 4 4 LEU C C 4 175.745 175.745 175.617 0.128 19282 14 1 1 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.042 1.750 19282 15 1 1 . 1 1 4 4 LEU CB C 4 42.683 42.683 45.275 -2.592 19282 16 1 1 . 1 1 4 4 LEU H H 4 8.247 8.247 7.690 0.557 19282 17 1 1 . 1 1 5 5 GLU N N 5 120.599 120.599 119.362 1.237 19282 18 1 1 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.508 0.011 19282 19 1 1 . 1 1 5 5 GLU C C 5 176.076 176.076 175.950 0.126 19282 20 1 1 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.490 -0.493 19282 21 1 1 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.666 1.687 19282 22 1 1 . 1 1 5 5 GLU H H 5 8.093 8.093 8.343 -0.250 19282 23 1 1 . 1 1 6 6 CYS N N 6 120.079 120.079 119.462 0.617 19282 24 1 1 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.743 -0.007 19282 25 1 1 . 1 1 6 6 CYS C C 6 172.237 172.237 172.549 -0.312 19282 26 1 1 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.276 -2.058 19282 27 1 1 . 1 1 6 6 CYS CB C 6 37.445 37.445 26.637 10.808 19282 28 1 1 . 1 1 6 6 CYS H H 6 8.750 8.750 8.299 0.451 19282 29 1 1 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.554 -0.205 19282 30 1 1 . 1 1 7 7 PRO C C 7 176.014 176.014 177.800 -1.786 19282 31 1 1 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.529 -0.057 19282 32 1 1 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.411 -1.210 19282 33 1 1 . 1 1 8 8 GLN N N 8 120.940 120.940 118.309 2.631 19282 34 1 1 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.075 0.033 19282 35 1 1 . 1 1 8 8 GLN C C 8 176.701 176.701 176.141 0.560 19282 36 1 1 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.388 -0.302 19282 37 1 1 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.534 0.309 19282 38 1 1 . 1 1 8 8 GLN H H 8 8.443 8.443 8.706 -0.263 19282 39 1 1 . 1 1 9 9 ASP N N 9 116.982 116.982 118.719 -1.737 19282 40 1 1 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.641 -0.125 19282 41 1 1 . 1 1 9 9 ASP C C 9 176.201 176.201 175.206 0.995 19282 42 1 1 . 1 1 9 9 ASP CA C 9 56.613 56.613 55.172 1.441 19282 43 1 1 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.482 -1.070 19282 44 1 1 . 1 1 9 9 ASP H H 9 9.023 9.023 8.658 0.365 19282 45 1 1 . 1 1 10 10 TRP N N 10 121.568 121.568 117.560 4.008 19282 46 1 1 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.223 -0.160 19282 47 1 1 . 1 1 10 10 TRP C C 10 175.997 175.997 175.804 0.193 19282 48 1 1 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.042 1.622 19282 49 1 1 . 1 1 10 10 TRP CB C 10 29.075 29.075 32.351 -3.276 19282 50 1 1 . 1 1 10 10 TRP H H 10 8.440 8.440 7.516 0.924 19282 51 1 1 . 1 1 11 11 LEU N N 11 123.195 123.195 123.116 0.079 19282 52 1 1 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.885 -0.121 19282 53 1 1 . 1 1 11 11 LEU C C 11 176.837 176.837 176.613 0.224 19282 54 1 1 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.347 1.260 19282 55 1 1 . 1 1 11 11 LEU CB C 11 44.386 44.386 42.518 1.868 19282 56 1 1 . 1 1 11 11 LEU H H 11 9.613 9.613 9.280 0.333 19282 57 1 1 . 1 1 12 12 SER N N 12 116.705 116.705 120.357 -3.652 19282 58 1 1 . 1 1 12 12 SER HA H 12 5.389 5.389 4.571 0.818 19282 59 1 1 . 1 1 12 12 SER C C 12 174.164 174.164 173.597 0.567 19282 60 1 1 . 1 1 12 12 SER CA C 12 57.066 57.066 57.922 -0.856 19282 61 1 1 . 1 1 12 12 SER CB C 12 65.488 65.488 63.869 1.619 19282 62 1 1 . 1 1 12 12 SER H H 12 8.733 8.733 8.899 -0.166 19282 63 1 1 . 1 1 13 13 HIS N N 13 123.615 123.615 127.948 -4.333 19282 64 1 1 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.431 -0.126 19282 65 1 1 . 1 1 13 13 HIS C C 13 173.536 173.536 174.473 -0.937 19282 66 1 1 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.592 1.685 19282 67 1 1 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.280 0.672 19282 68 1 1 . 1 1 13 13 HIS H H 13 8.303 8.303 8.768 -0.465 19282 69 1 1 . 1 1 14 14 ARG N N 14 125.609 125.609 125.833 -0.224 19282 70 1 1 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.562 -0.040 19282 71 1 1 . 1 1 14 14 ARG C C 14 175.434 175.434 175.673 -0.239 19282 72 1 1 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.911 -0.497 19282 73 1 1 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.549 -0.767 19282 74 1 1 . 1 1 14 14 ARG H H 14 8.858 8.858 8.901 -0.043 19282 75 1 1 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.679 0.084 19282 76 1 1 . 1 1 15 15 ASP C C 15 174.250 174.250 174.697 -0.447 19282 77 1 1 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.959 1.526 19282 78 1 1 . 1 1 15 15 ASP CB C 15 40.448 40.448 42.236 -1.788 19282 79 1 1 . 1 1 16 16 LYS N N 16 118.266 118.266 118.115 0.151 19282 80 1 1 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.707 0.309 19282 81 1 1 . 1 1 16 16 LYS C C 16 175.472 175.472 173.567 1.905 19282 82 1 1 . 1 1 16 16 LYS CA C 16 55.564 55.564 55.192 0.372 19282 83 1 1 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.094 1.211 19282 84 1 1 . 1 1 16 16 LYS H H 16 8.289 8.289 7.911 0.378 19282 85 1 1 . 1 1 17 17 CYS N N 17 118.232 118.232 118.556 -0.324 19282 86 1 1 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.091 0.843 19282 87 1 1 . 1 1 17 17 CYS C C 17 174.859 174.859 173.064 1.795 19282 88 1 1 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.374 -4.827 19282 89 1 1 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.357 13.840 19282 90 1 1 . 1 1 17 17 CYS H H 17 8.492 8.492 8.302 0.190 19282 91 1 1 . 1 1 18 18 PHE N N 18 121.121 121.121 124.119 -2.998 19282 92 1 1 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.916 0.330 19282 93 1 1 . 1 1 18 18 PHE C C 18 174.238 174.238 174.872 -0.634 19282 94 1 1 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.995 1.432 19282 95 1 1 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.586 0.604 19282 96 1 1 . 1 1 18 18 PHE H H 18 10.029 10.029 9.401 0.628 19282 97 1 1 . 1 1 19 19 HIS N N 19 122.393 122.393 119.535 2.858 19282 98 1 1 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.687 -0.324 19282 99 1 1 . 1 1 19 19 HIS C C 19 172.933 172.933 173.149 -0.216 19282 100 1 1 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.756 0.326 19282 101 1 1 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.294 -1.895 19282 102 1 1 . 1 1 19 19 HIS H H 19 8.624 8.624 9.405 -0.781 19282 103 1 1 . 1 1 20 20 VAL N N 20 128.351 128.351 129.013 -0.662 19282 104 1 1 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.995 0.196 19282 105 1 1 . 1 1 20 20 VAL C C 20 174.971 174.971 174.878 0.093 19282 106 1 1 . 1 1 20 20 VAL CA C 20 61.049 61.049 61.773 -0.724 19282 107 1 1 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.731 0.378 19282 108 1 1 . 1 1 20 20 VAL H H 20 7.880 7.880 8.337 -0.457 19282 109 1 1 . 1 1 21 21 SER N N 21 123.985 123.985 124.382 -0.397 19282 110 1 1 . 1 1 21 21 SER HA H 21 3.904 3.904 4.288 -0.384 19282 111 1 1 . 1 1 21 21 SER C C 21 173.842 173.842 174.454 -0.612 19282 112 1 1 . 1 1 21 21 SER CA C 21 59.417 59.417 58.188 1.229 19282 113 1 1 . 1 1 21 21 SER CB C 21 62.993 62.993 62.870 0.123 19282 114 1 1 . 1 1 21 21 SER H H 21 8.802 8.802 8.373 0.429 19282 115 1 1 . 1 1 22 22 GLN N N 22 118.390 118.390 124.475 -6.085 19282 116 1 1 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.383 -0.110 19282 117 1 1 . 1 1 22 22 GLN C C 22 175.650 175.650 174.834 0.816 19282 118 1 1 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.301 0.425 19282 119 1 1 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.208 1.834 19282 120 1 1 . 1 1 22 22 GLN H H 22 8.866 8.866 8.531 0.335 19282 121 1 1 . 1 1 23 23 VAL N N 23 113.258 113.258 113.141 0.117 19282 122 1 1 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.398 -0.084 19282 123 1 1 . 1 1 23 23 VAL C C 23 172.691 172.691 175.345 -2.654 19282 124 1 1 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.180 0.606 19282 125 1 1 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.425 0.943 19282 126 1 1 . 1 1 23 23 VAL H H 23 6.897 6.897 7.182 -0.285 19282 127 1 1 . 1 1 24 24 SER N N 24 115.205 115.205 119.149 -3.944 19282 128 1 1 . 1 1 24 24 SER HA H 24 4.894 4.894 5.253 -0.359 19282 129 1 1 . 1 1 24 24 SER C C 24 173.846 173.846 174.006 -0.160 19282 130 1 1 . 1 1 24 24 SER CA C 24 56.040 56.040 58.325 -2.285 19282 131 1 1 . 1 1 24 24 SER CB C 24 65.361 65.361 65.463 -0.102 19282 132 1 1 . 1 1 24 24 SER H H 24 8.125 8.125 8.435 -0.310 19282 133 1 1 . 1 1 25 25 ASN N N 25 122.669 122.669 119.233 3.436 19282 134 1 1 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.128 -0.040 19282 135 1 1 . 1 1 25 25 ASN C C 25 175.285 175.285 173.942 1.343 19282 136 1 1 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.634 0.396 19282 137 1 1 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.448 -0.913 19282 138 1 1 . 1 1 25 25 ASN H H 25 9.854 9.854 9.485 0.369 19282 139 1 1 . 1 1 26 26 THR N N 26 113.569 113.569 112.344 1.225 19282 140 1 1 . 1 1 26 26 THR HA H 26 5.520 5.520 5.409 0.111 19282 141 1 1 . 1 1 26 26 THR C C 26 174.350 174.350 175.992 -1.642 19282 142 1 1 . 1 1 26 26 THR CA C 26 61.930 61.930 61.161 0.769 19282 143 1 1 . 1 1 26 26 THR CB C 26 70.719 70.719 70.429 0.290 19282 144 1 1 . 1 1 26 26 THR H H 26 9.718 9.718 9.055 0.663 19282 145 1 1 . 1 1 27 27 TRP N N 27 121.857 121.857 123.059 -1.202 19282 146 1 1 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.204 -0.587 19282 147 1 1 . 1 1 27 27 TRP C C 27 177.624 177.624 177.392 0.232 19282 148 1 1 . 1 1 27 27 TRP CA C 27 62.651 62.651 61.719 0.932 19282 149 1 1 . 1 1 27 27 TRP CB C 27 30.428 30.428 28.942 1.486 19282 150 1 1 . 1 1 27 27 TRP H H 27 7.836 7.836 8.305 -0.469 19282 151 1 1 . 1 1 28 28 GLU N N 28 114.949 114.949 116.948 -1.999 19282 152 1 1 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.526 0.182 19282 153 1 1 . 1 1 28 28 GLU C C 28 178.928 178.928 178.792 0.136 19282 154 1 1 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.483 0.106 19282 155 1 1 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.174 0.306 19282 156 1 1 . 1 1 28 28 GLU H H 28 8.827 8.827 8.375 0.452 19282 157 1 1 . 1 1 29 29 GLU N N 29 118.462 118.462 119.842 -1.380 19282 158 1 1 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.888 0.038 19282 159 1 1 . 1 1 29 29 GLU C C 29 179.587 179.587 178.977 0.610 19282 160 1 1 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.561 0.008 19282 161 1 1 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.337 -1.204 19282 162 1 1 . 1 1 29 29 GLU H H 29 7.259 7.259 7.359 -0.100 19282 163 1 1 . 1 1 30 30 GLY N N 30 112.186 112.186 107.696 4.490 19282 164 1 1 . 1 1 30 30 GLY C C 30 173.516 173.516 175.233 -1.717 19282 165 1 1 . 1 1 30 30 GLY CA C 30 45.742 45.742 46.021 -0.279 19282 166 1 1 . 1 1 30 30 GLY H H 30 7.871 7.871 8.093 -0.222 19282 167 1 1 . 1 1 31 31 LEU N N 31 122.216 122.216 122.860 -0.644 19282 168 1 1 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.700 -0.355 19282 169 1 1 . 1 1 31 31 LEU C C 31 179.828 179.828 178.268 1.560 19282 170 1 1 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.511 1.444 19282 171 1 1 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.736 -0.261 19282 172 1 1 . 1 1 31 31 LEU H H 31 7.610 7.610 7.462 0.148 19282 173 1 1 . 1 1 32 32 VAL N N 32 118.301 118.301 117.969 0.332 19282 174 1 1 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.592 0.059 19282 175 1 1 . 1 1 32 32 VAL C C 32 179.041 179.041 178.544 0.497 19282 176 1 1 . 1 1 32 32 VAL CA C 32 65.867 65.867 65.460 0.407 19282 177 1 1 . 1 1 32 32 VAL CB C 32 31.976 31.976 30.533 1.443 19282 178 1 1 . 1 1 32 32 VAL H H 32 7.571 7.571 7.443 0.128 19282 179 1 1 . 1 1 33 33 ASP N N 33 123.085 123.085 120.804 2.281 19282 180 1 1 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.391 -0.014 19282 181 1 1 . 1 1 33 33 ASP C C 33 179.766 179.766 178.779 0.987 19282 182 1 1 . 1 1 33 33 ASP CA C 33 58.137 58.137 57.923 0.214 19282 183 1 1 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.674 2.761 19282 184 1 1 . 1 1 33 33 ASP H H 33 7.924 7.924 8.131 -0.207 19282 185 1 1 . 1 1 34 34 CYS N N 34 115.181 115.181 117.979 -2.798 19282 186 1 1 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.431 0.073 19282 187 1 1 . 1 1 34 34 CYS C C 34 177.697 177.697 177.064 0.633 19282 188 1 1 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.458 -5.388 19282 189 1 1 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.382 8.039 19282 190 1 1 . 1 1 34 34 CYS H H 34 8.486 8.486 8.077 0.409 19282 191 1 1 . 1 1 35 35 ASP N N 35 123.300 123.300 120.756 2.544 19282 192 1 1 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.703 0.051 19282 193 1 1 . 1 1 35 35 ASP C C 35 180.457 180.457 179.323 1.134 19282 194 1 1 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.786 0.484 19282 195 1 1 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.375 1.768 19282 196 1 1 . 1 1 35 35 ASP H H 35 8.458 8.458 8.018 0.440 19282 197 1 1 . 1 1 36 36 GLY N N 36 107.140 107.140 108.572 -1.432 19282 198 1 1 . 1 1 36 36 GLY C C 36 175.345 175.345 175.429 -0.084 19282 199 1 1 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.789 0.087 19282 200 1 1 . 1 1 36 36 GLY H H 36 8.281 8.281 7.863 0.418 19282 201 1 1 . 1 1 37 37 LYS N N 37 119.450 119.450 120.243 -0.793 19282 202 1 1 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.543 0.003 19282 203 1 1 . 1 1 37 37 LYS C C 37 176.415 176.415 176.258 0.157 19282 204 1 1 . 1 1 37 37 LYS CA C 37 55.830 55.830 55.039 0.791 19282 205 1 1 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.426 1.327 19282 206 1 1 . 1 1 37 37 LYS H H 37 7.587 7.587 7.630 -0.043 19282 207 1 1 . 1 1 38 38 GLY N N 38 109.781 109.781 106.923 2.858 19282 208 1 1 . 1 1 38 38 GLY C C 38 174.144 174.144 173.614 0.530 19282 209 1 1 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.481 1.310 19282 210 1 1 . 1 1 38 38 GLY H H 38 8.205 8.205 8.004 0.201 19282 211 1 1 . 1 1 39 39 ALA N N 39 123.317 123.317 121.375 1.942 19282 212 1 1 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.237 -0.121 19282 213 1 1 . 1 1 39 39 ALA C C 39 174.817 174.817 175.794 -0.977 19282 214 1 1 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.638 -0.464 19282 215 1 1 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.632 2.521 19282 216 1 1 . 1 1 39 39 ALA H H 39 8.107 8.107 7.625 0.482 19282 217 1 1 . 1 1 40 40 THR N N 40 108.747 108.747 111.544 -2.797 19282 218 1 1 . 1 1 40 40 THR HA H 40 5.080 5.080 4.734 0.346 19282 219 1 1 . 1 1 40 40 THR C C 40 175.723 175.723 173.909 1.814 19282 220 1 1 . 1 1 40 40 THR CA C 40 60.173 60.173 59.708 0.465 19282 221 1 1 . 1 1 40 40 THR CB C 40 72.452 72.452 71.936 0.516 19282 222 1 1 . 1 1 40 40 THR H H 40 8.566 8.566 8.979 -0.413 19282 223 1 1 . 1 1 41 41 LEU N N 41 123.750 123.750 123.882 -0.132 19282 224 1 1 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.467 0.587 19282 225 1 1 . 1 1 41 41 LEU C C 41 177.800 177.800 177.456 0.344 19282 226 1 1 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.386 1.290 19282 227 1 1 . 1 1 41 41 LEU CB C 41 44.624 44.624 43.112 1.512 19282 228 1 1 . 1 1 41 41 LEU H H 41 7.791 7.791 8.634 -0.843 19282 229 1 1 . 1 1 42 42 MET N N 42 116.452 116.452 127.081 -10.629 19282 230 1 1 . 1 1 42 42 MET HA H 42 4.098 4.098 4.342 -0.244 19282 231 1 1 . 1 1 42 42 MET C C 42 174.097 174.097 174.585 -0.488 19282 232 1 1 . 1 1 42 42 MET CA C 42 57.887 57.887 55.672 2.215 19282 233 1 1 . 1 1 42 42 MET CB C 42 34.299 34.299 32.140 2.159 19282 234 1 1 . 1 1 42 42 MET H H 42 7.983 7.983 9.007 -1.024 19282 235 1 1 . 1 1 43 43 LEU N N 43 128.106 128.106 129.019 -0.913 19282 236 1 1 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.560 0.957 19282 237 1 1 . 1 1 43 43 LEU C C 43 174.928 174.928 174.617 0.311 19282 238 1 1 . 1 1 43 43 LEU CA C 43 53.533 53.533 51.957 1.576 19282 239 1 1 . 1 1 43 43 LEU CB C 43 42.828 42.828 40.262 2.566 19282 240 1 1 . 1 1 43 43 LEU H H 43 8.078 8.078 8.596 -0.518 19282 241 1 1 . 1 1 44 44 ILE N N 44 118.686 118.686 122.560 -3.874 19282 242 1 1 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.957 0.245 19282 243 1 1 . 1 1 44 44 ILE C C 44 175.736 175.736 176.495 -0.759 19282 244 1 1 . 1 1 44 44 ILE CA C 44 61.051 61.051 62.831 -1.780 19282 245 1 1 . 1 1 44 44 ILE CB C 44 38.168 38.168 37.787 0.381 19282 246 1 1 . 1 1 44 44 ILE H H 44 5.273 5.273 7.845 -2.572 19282 247 1 1 . 1 1 45 45 GLN N N 45 127.754 127.754 126.881 0.873 19282 248 1 1 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.350 -0.171 19282 249 1 1 . 1 1 45 45 GLN C C 45 175.402 175.402 175.521 -0.119 19282 250 1 1 . 1 1 45 45 GLN CA C 45 57.103 57.103 57.179 -0.076 19282 251 1 1 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.825 0.008 19282 252 1 1 . 1 1 45 45 GLN H H 45 9.722 9.722 8.847 0.875 19282 253 1 1 . 1 1 46 46 ASP N N 46 114.490 114.490 115.216 -0.726 19282 254 1 1 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.743 -0.099 19282 255 1 1 . 1 1 46 46 ASP C C 46 175.286 175.286 175.684 -0.398 19282 256 1 1 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.208 0.048 19282 257 1 1 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.204 0.548 19282 258 1 1 . 1 1 46 46 ASP H H 46 7.545 7.545 7.802 -0.257 19282 259 1 1 . 1 1 47 47 GLN N N 47 118.745 118.745 119.291 -0.546 19282 260 1 1 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.224 -0.221 19282 261 1 1 . 1 1 47 47 GLN C C 47 177.858 177.858 177.992 -0.134 19282 262 1 1 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.683 0.312 19282 263 1 1 . 1 1 47 47 GLN CB C 47 28.468 28.468 29.188 -0.720 19282 264 1 1 . 1 1 47 47 GLN H H 47 8.954 8.954 8.625 0.329 19282 265 1 1 . 1 1 48 48 GLU N N 48 121.721 121.721 119.647 2.074 19282 266 1 1 . 1 1 48 48 GLU HA H 48 4.082 4.082 3.984 0.098 19282 267 1 1 . 1 1 48 48 GLU C C 48 179.073 179.073 178.672 0.401 19282 268 1 1 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.959 -0.009 19282 269 1 1 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.452 -0.705 19282 270 1 1 . 1 1 48 48 GLU H H 48 8.532 8.532 8.759 -0.227 19282 271 1 1 . 1 1 49 49 GLU N N 49 120.709 120.709 118.695 2.014 19282 272 1 1 . 1 1 49 49 GLU HA H 49 3.776 3.776 3.875 -0.099 19282 273 1 1 . 1 1 49 49 GLU C C 49 177.707 177.707 179.048 -1.341 19282 274 1 1 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.474 0.355 19282 275 1 1 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.352 1.275 19282 276 1 1 . 1 1 49 49 GLU H H 49 8.336 8.336 8.297 0.039 19282 277 1 1 . 1 1 50 50 LEU N N 50 118.070 118.070 118.942 -0.872 19282 278 1 1 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.904 0.033 19282 279 1 1 . 1 1 50 50 LEU C C 50 177.342 177.342 178.935 -1.593 19282 280 1 1 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.830 0.445 19282 281 1 1 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.483 0.223 19282 282 1 1 . 1 1 50 50 LEU H H 50 7.175 7.175 7.429 -0.254 19282 283 1 1 . 1 1 51 51 ARG N N 51 117.898 117.898 119.061 -1.163 19282 284 1 1 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.018 -0.211 19282 285 1 1 . 1 1 51 51 ARG C C 51 177.876 177.876 178.677 -0.801 19282 286 1 1 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.135 1.238 19282 287 1 1 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.410 0.518 19282 288 1 1 . 1 1 51 51 ARG H H 51 8.135 8.135 8.636 -0.501 19282 289 1 1 . 1 1 52 52 PHE N N 52 118.865 118.865 121.652 -2.787 19282 290 1 1 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.577 -0.449 19282 291 1 1 . 1 1 52 52 PHE C C 52 178.379 178.379 177.699 0.680 19282 292 1 1 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.049 1.231 19282 293 1 1 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.372 -0.858 19282 294 1 1 . 1 1 52 52 PHE H H 52 8.003 8.003 8.251 -0.248 19282 295 1 1 . 1 1 53 53 LEU N N 53 122.451 122.451 122.330 0.121 19282 296 1 1 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.889 -0.485 19282 297 1 1 . 1 1 53 53 LEU C C 53 178.870 178.870 178.954 -0.084 19282 298 1 1 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.635 -0.338 19282 299 1 1 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.829 0.502 19282 300 1 1 . 1 1 53 53 LEU H H 53 7.824 7.824 8.345 -0.521 19282 301 1 1 . 1 1 54 54 LEU N N 54 117.828 117.828 119.172 -1.344 19282 302 1 1 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.743 0.044 19282 303 1 1 . 1 1 54 54 LEU C C 54 179.783 179.783 179.421 0.362 19282 304 1 1 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.203 -0.270 19282 305 1 1 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.900 0.031 19282 306 1 1 . 1 1 54 54 LEU H H 54 8.361 8.361 8.581 -0.220 19282 307 1 1 . 1 1 55 55 ASP N N 55 116.846 116.846 117.313 -0.467 19282 308 1 1 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.356 0.021 19282 309 1 1 . 1 1 55 55 ASP C C 55 177.824 177.824 177.244 0.580 19282 310 1 1 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.762 -0.530 19282 311 1 1 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.297 0.536 19282 312 1 1 . 1 1 55 55 ASP H H 55 7.933 7.933 7.826 0.107 19282 313 1 1 . 1 1 56 56 SER N N 56 114.399 114.399 114.649 -0.250 19282 314 1 1 . 1 1 56 56 SER HA H 56 4.122 4.122 4.217 -0.095 19282 315 1 1 . 1 1 56 56 SER C C 56 174.277 174.277 176.032 -1.755 19282 316 1 1 . 1 1 56 56 SER CA C 56 60.677 60.677 59.900 0.777 19282 317 1 1 . 1 1 56 56 SER CB C 56 63.675 63.675 64.192 -0.517 19282 318 1 1 . 1 1 56 56 SER H H 56 7.441 7.441 7.435 0.006 19282 319 1 1 . 1 1 57 57 ILE N N 57 121.159 121.159 122.183 -1.024 19282 320 1 1 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.510 0.287 19282 321 1 1 . 1 1 57 57 ILE C C 57 175.873 175.873 177.672 -1.799 19282 322 1 1 . 1 1 57 57 ILE CA C 57 61.811 61.811 63.159 -1.348 19282 323 1 1 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.315 1.251 19282 324 1 1 . 1 1 57 57 ILE H H 57 7.378 7.378 8.342 -0.964 19282 325 1 1 . 1 1 58 58 LYS N N 58 124.292 124.292 118.265 6.027 19282 326 1 1 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.870 0.294 19282 327 1 1 . 1 1 58 58 LYS C C 58 177.266 177.266 177.525 -0.259 19282 328 1 1 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.704 -1.380 19282 329 1 1 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.253 2.037 19282 330 1 1 . 1 1 58 58 LYS H H 58 8.218 8.218 8.087 0.131 19282 331 1 1 . 1 1 59 59 GLU N N 59 119.807 119.807 119.046 0.761 19282 332 1 1 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.066 0.285 19282 333 1 1 . 1 1 59 59 GLU C C 59 176.023 176.023 177.858 -1.835 19282 334 1 1 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.325 -2.410 19282 335 1 1 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.942 -1.111 19282 336 1 1 . 1 1 59 59 GLU H H 59 7.761 7.761 8.286 -0.525 19282 337 1 1 . 1 1 60 60 LYS N N 60 120.606 120.606 114.638 5.968 19282 338 1 1 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.828 0.329 19282 339 1 1 . 1 1 60 60 LYS C C 60 176.229 176.229 177.944 -1.715 19282 340 1 1 . 1 1 60 60 LYS CA C 60 57.008 57.008 59.085 -2.077 19282 341 1 1 . 1 1 60 60 LYS CB C 60 32.431 32.431 29.975 2.456 19282 342 1 1 . 1 1 60 60 LYS H H 60 8.051 8.051 8.441 -0.390 19282 343 1 1 . 1 1 61 61 TYR N N 61 115.876 115.876 118.019 -2.143 19282 344 1 1 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.298 0.296 19282 345 1 1 . 1 1 61 61 TYR C C 61 175.714 175.714 176.564 -0.850 19282 346 1 1 . 1 1 61 61 TYR CA C 61 57.110 57.110 59.007 -1.897 19282 347 1 1 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.940 -0.441 19282 348 1 1 . 1 1 61 61 TYR H H 61 7.756 7.756 7.774 -0.018 19282 349 1 1 . 1 1 62 62 ASN N N 62 118.634 118.634 116.864 1.770 19282 350 1 1 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.506 0.224 19282 351 1 1 . 1 1 62 62 ASN C C 62 173.016 173.016 173.587 -0.571 19282 352 1 1 . 1 1 62 62 ASN CA C 62 52.654 52.654 53.434 -0.780 19282 353 1 1 . 1 1 62 62 ASN CB C 62 41.378 41.378 39.993 1.385 19282 354 1 1 . 1 1 62 62 ASN H H 62 7.477 7.477 7.785 -0.308 19282 355 1 1 . 1 1 63 63 SER N N 63 115.211 115.211 114.116 1.095 19282 356 1 1 . 1 1 63 63 SER HA H 63 5.256 5.256 5.332 -0.076 19282 357 1 1 . 1 1 63 63 SER C C 63 172.817 172.817 172.552 0.265 19282 358 1 1 . 1 1 63 63 SER CA C 63 57.506 57.506 57.239 0.267 19282 359 1 1 . 1 1 63 63 SER CB C 63 63.821 63.821 65.504 -1.683 19282 360 1 1 . 1 1 63 63 SER H H 63 8.107 8.107 7.740 0.367 19282 361 1 1 . 1 1 64 64 PHE N N 64 118.959 118.959 121.900 -2.941 19282 362 1 1 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.021 -0.433 19282 363 1 1 . 1 1 64 64 PHE C C 64 175.495 175.495 175.401 0.094 19282 364 1 1 . 1 1 64 64 PHE CA C 64 55.442 55.442 56.088 -0.646 19282 365 1 1 . 1 1 64 64 PHE CB C 64 42.226 42.226 41.604 0.622 19282 366 1 1 . 1 1 64 64 PHE H H 64 8.735 8.735 8.663 0.072 19282 367 1 1 . 1 1 65 65 TRP N N 65 124.651 124.651 124.857 -0.206 19282 368 1 1 . 1 1 65 65 TRP HA H 65 5.743 5.743 5.077 0.666 19282 369 1 1 . 1 1 65 65 TRP C C 65 175.951 175.951 176.774 -0.823 19282 370 1 1 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.081 -0.003 19282 371 1 1 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.202 2.474 19282 372 1 1 . 1 1 65 65 TRP H H 65 10.282 10.282 9.156 1.126 19282 373 1 1 . 1 1 66 66 ILE N N 66 109.430 109.430 116.308 -6.878 19282 374 1 1 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.150 0.124 19282 375 1 1 . 1 1 66 66 ILE C C 66 177.380 177.380 177.438 -0.058 19282 376 1 1 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.144 1.454 19282 377 1 1 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.737 1.027 19282 378 1 1 . 1 1 66 66 ILE H H 66 8.443 8.443 8.777 -0.334 19282 379 1 1 . 1 1 67 67 GLY N N 67 111.319 111.319 110.121 1.198 19282 380 1 1 . 1 1 67 67 GLY C C 67 172.897 172.897 173.586 -0.689 19282 381 1 1 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.954 4.041 19282 382 1 1 . 1 1 67 67 GLY H H 67 10.395 10.395 9.321 1.074 19282 383 1 1 . 1 1 68 68 LEU N N 68 127.499 127.499 122.582 4.917 19282 384 1 1 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.528 0.356 19282 385 1 1 . 1 1 68 68 LEU C C 68 173.367 173.367 175.792 -2.425 19282 386 1 1 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.218 0.419 19282 387 1 1 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.611 3.470 19282 388 1 1 . 1 1 68 68 LEU H H 68 8.446 8.446 8.413 0.033 19282 389 1 1 . 1 1 69 69 ARG N N 69 124.432 124.432 122.360 2.072 19282 390 1 1 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.544 0.366 19282 391 1 1 . 1 1 69 69 ARG C C 69 173.026 173.026 173.894 -0.868 19282 392 1 1 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.611 1.867 19282 393 1 1 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.281 1.063 19282 394 1 1 . 1 1 69 69 ARG H H 69 8.479 8.479 8.555 -0.076 19282 395 1 1 . 1 1 70 70 TYR N N 70 128.687 128.687 126.426 2.261 19282 396 1 1 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.469 0.407 19282 397 1 1 . 1 1 70 70 TYR C C 70 175.118 175.118 174.792 0.326 19282 398 1 1 . 1 1 70 70 TYR CA C 70 57.747 57.747 57.123 0.624 19282 399 1 1 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.029 0.202 19282 400 1 1 . 1 1 70 70 TYR H H 70 7.936 7.936 7.452 0.484 19282 401 1 1 . 1 1 71 71 THR N N 71 120.097 120.097 121.644 -1.547 19282 402 1 1 . 1 1 71 71 THR HA H 71 4.477 4.477 4.319 0.158 19282 403 1 1 . 1 1 71 71 THR C C 71 172.547 172.547 173.081 -0.534 19282 404 1 1 . 1 1 71 71 THR CA C 71 60.631 60.631 60.980 -0.349 19282 405 1 1 . 1 1 71 71 THR CB C 71 71.324 71.324 70.034 1.290 19282 406 1 1 . 1 1 71 71 THR H H 71 7.701 7.701 8.495 -0.794 19282 407 1 1 . 1 1 72 72 LEU N N 72 125.241 125.241 124.691 0.550 19282 408 1 1 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.546 -0.280 19282 409 1 1 . 1 1 72 72 LEU C C 72 175.916 175.916 175.537 0.379 19282 410 1 1 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.955 0.920 19282 411 1 1 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.291 -1.471 19282 412 1 1 . 1 1 72 72 LEU H H 72 8.487 8.487 8.225 0.262 19282 413 1 1 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.601 -0.192 19282 414 1 1 . 1 1 73 73 PRO C C 73 176.278 176.278 175.534 0.744 19282 415 1 1 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.486 1.063 19282 416 1 1 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.141 1.995 19282 417 1 1 . 1 1 74 74 ASP N N 74 123.018 123.018 119.851 3.167 19282 418 1 1 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.422 -0.265 19282 419 1 1 . 1 1 74 74 ASP C C 74 175.592 175.592 176.017 -0.425 19282 420 1 1 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.274 2.254 19282 421 1 1 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.333 -1.645 19282 422 1 1 . 1 1 74 74 ASP H H 74 8.716 8.716 8.178 0.538 19282 423 1 1 . 1 1 75 75 MET N N 75 113.361 113.361 116.511 -3.150 19282 424 1 1 . 1 1 75 75 MET HA H 75 3.319 3.319 3.688 -0.369 19282 425 1 1 . 1 1 75 75 MET C C 75 174.354 174.354 174.066 0.288 19282 426 1 1 . 1 1 75 75 MET CA C 75 56.042 56.042 56.322 -0.280 19282 427 1 1 . 1 1 75 75 MET CB C 75 29.181 29.181 29.627 -0.446 19282 428 1 1 . 1 1 75 75 MET H H 75 8.421 8.421 7.836 0.585 19282 429 1 1 . 1 1 76 76 ASN N N 76 112.997 112.997 114.626 -1.629 19282 430 1 1 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.220 -0.412 19282 431 1 1 . 1 1 76 76 ASN C C 76 173.984 173.984 173.491 0.493 19282 432 1 1 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.772 -1.489 19282 433 1 1 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.820 -0.997 19282 434 1 1 . 1 1 76 76 ASN H H 76 6.883 6.883 7.893 -1.010 19282 435 1 1 . 1 1 77 77 TRP N N 77 122.857 122.857 120.114 2.743 19282 436 1 1 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.280 -0.746 19282 437 1 1 . 1 1 77 77 TRP C C 77 175.329 175.329 175.799 -0.470 19282 438 1 1 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.124 1.490 19282 439 1 1 . 1 1 77 77 TRP CB C 77 30.117 30.117 30.348 -0.231 19282 440 1 1 . 1 1 77 77 TRP H H 77 8.766 8.766 9.146 -0.380 19282 441 1 1 . 1 1 78 78 LYS N N 78 121.731 121.731 121.013 0.718 19282 442 1 1 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.903 0.066 19282 443 1 1 . 1 1 78 78 LYS C C 78 177.225 177.225 175.646 1.579 19282 444 1 1 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.894 0.255 19282 445 1 1 . 1 1 78 78 LYS CB C 78 36.697 36.697 35.980 0.717 19282 446 1 1 . 1 1 78 78 LYS H H 78 8.584 8.584 8.280 0.304 19282 447 1 1 . 1 1 79 79 TRP N N 79 124.809 124.809 118.778 6.031 19282 448 1 1 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.883 -0.206 19282 449 1 1 . 1 1 79 79 TRP C C 79 180.969 180.969 179.163 1.806 19282 450 1 1 . 1 1 79 79 TRP CA C 79 56.692 56.692 55.989 0.703 19282 451 1 1 . 1 1 79 79 TRP CB C 79 31.944 31.944 31.150 0.794 19282 452 1 1 . 1 1 79 79 TRP H H 79 9.045 9.045 9.043 0.002 19282 453 1 1 . 1 1 80 80 ILE N N 80 114.947 114.947 118.991 -4.044 19282 454 1 1 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.844 0.511 19282 455 1 1 . 1 1 80 80 ILE C C 80 175.690 175.690 176.434 -0.744 19282 456 1 1 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.347 -0.565 19282 457 1 1 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.928 0.355 19282 458 1 1 . 1 1 80 80 ILE H H 80 8.493 8.493 8.340 0.153 19282 459 1 1 . 1 1 81 81 ASN N N 81 116.185 116.185 115.751 0.434 19282 460 1 1 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.630 0.262 19282 461 1 1 . 1 1 81 81 ASN C C 81 176.344 176.344 176.471 -0.127 19282 462 1 1 . 1 1 81 81 ASN CA C 81 52.787 52.787 53.046 -0.259 19282 463 1 1 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.057 -0.279 19282 464 1 1 . 1 1 81 81 ASN H H 81 7.370 7.370 8.158 -0.788 19282 465 1 1 . 1 1 82 82 GLY N N 82 108.864 108.864 108.809 0.055 19282 466 1 1 . 1 1 82 82 GLY C C 82 174.321 174.321 174.783 -0.462 19282 467 1 1 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.018 0.288 19282 468 1 1 . 1 1 82 82 GLY H H 82 8.621 8.621 7.728 0.893 19282 469 1 1 . 1 1 83 83 SER N N 83 116.447 116.447 117.013 -0.566 19282 470 1 1 . 1 1 83 83 SER HA H 83 4.688 4.688 4.838 -0.150 19282 471 1 1 . 1 1 83 83 SER C C 83 174.042 174.042 174.485 -0.443 19282 472 1 1 . 1 1 83 83 SER CA C 83 58.822 58.822 58.819 0.003 19282 473 1 1 . 1 1 83 83 SER CB C 83 64.512 64.512 64.639 -0.127 19282 474 1 1 . 1 1 83 83 SER H H 83 7.894 7.894 8.312 -0.418 19282 475 1 1 . 1 1 84 84 THR N N 84 117.358 117.358 117.310 0.048 19282 476 1 1 . 1 1 84 84 THR HA H 84 4.628 4.628 4.774 -0.146 19282 477 1 1 . 1 1 84 84 THR C C 84 174.906 174.906 174.140 0.766 19282 478 1 1 . 1 1 84 84 THR CA C 84 62.727 62.727 61.900 0.827 19282 479 1 1 . 1 1 84 84 THR CB C 84 70.047 70.047 70.905 -0.858 19282 480 1 1 . 1 1 84 84 THR H H 84 8.710 8.710 8.365 0.345 19282 481 1 1 . 1 1 85 85 LEU N N 85 125.457 125.457 128.984 -3.527 19282 482 1 1 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.635 -0.216 19282 483 1 1 . 1 1 85 85 LEU C C 85 175.973 175.973 175.393 0.580 19282 484 1 1 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.461 0.707 19282 485 1 1 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.698 0.762 19282 486 1 1 . 1 1 85 85 LEU H H 85 8.244 8.244 8.528 -0.284 19282 487 1 1 . 1 1 86 86 ASN N N 86 126.729 126.729 125.244 1.485 19282 488 1 1 . 1 1 86 86 ASN HA H 86 5.062 5.062 5.109 -0.047 19282 489 1 1 . 1 1 86 86 ASN C C 86 176.112 176.112 176.406 -0.294 19282 490 1 1 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.318 -0.075 19282 491 1 1 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.121 0.510 19282 492 1 1 . 1 1 86 86 ASN H H 86 9.042 9.042 9.083 -0.041 19282 493 1 1 . 1 1 87 87 SER N N 87 120.386 120.386 121.535 -1.149 19282 494 1 1 . 1 1 87 87 SER HA H 87 4.606 4.606 4.281 0.325 19282 495 1 1 . 1 1 87 87 SER C C 87 174.673 174.673 175.365 -0.692 19282 496 1 1 . 1 1 87 87 SER CA C 87 59.908 59.908 60.444 -0.536 19282 497 1 1 . 1 1 87 87 SER CB C 87 63.602 63.602 63.119 0.483 19282 498 1 1 . 1 1 87 87 SER H H 87 8.724 8.724 8.308 0.416 19282 499 1 1 . 1 1 88 88 ASP N N 88 120.189 120.189 120.262 -0.073 19282 500 1 1 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.675 -0.098 19282 501 1 1 . 1 1 88 88 ASP C C 88 177.211 177.211 177.498 -0.287 19282 502 1 1 . 1 1 88 88 ASP CA C 88 55.987 55.987 55.626 0.361 19282 503 1 1 . 1 1 88 88 ASP CB C 88 40.640 40.640 41.078 -0.438 19282 504 1 1 . 1 1 88 88 ASP H H 88 8.464 8.464 7.825 0.639 19282 505 1 1 . 1 1 89 89 VAL N N 89 118.259 118.259 117.267 0.992 19282 506 1 1 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.000 -0.013 19282 507 1 1 . 1 1 89 89 VAL C C 89 175.071 175.071 175.677 -0.606 19282 508 1 1 . 1 1 89 89 VAL CA C 89 64.434 64.434 63.882 0.552 19282 509 1 1 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.354 0.609 19282 510 1 1 . 1 1 89 89 VAL H H 89 7.783 7.783 7.513 0.270 19282 511 1 1 . 1 1 90 90 LEU N N 90 118.198 118.198 116.293 1.905 19282 512 1 1 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.622 -0.142 19282 513 1 1 . 1 1 90 90 LEU C C 90 173.881 173.881 174.861 -0.980 19282 514 1 1 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.795 1.571 19282 515 1 1 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.192 -0.926 19282 516 1 1 . 1 1 90 90 LEU H H 90 7.537 7.537 7.455 0.082 19282 517 1 1 . 1 1 91 91 LYS N N 91 122.032 122.032 121.586 0.446 19282 518 1 1 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.223 0.210 19282 519 1 1 . 1 1 91 91 LYS C C 91 175.565 175.565 175.130 0.435 19282 520 1 1 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.056 -1.881 19282 521 1 1 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.350 1.827 19282 522 1 1 . 1 1 91 91 LYS H H 91 8.121 8.121 8.345 -0.224 19282 523 1 1 . 1 1 92 92 ILE N N 92 123.168 123.168 123.977 -0.809 19282 524 1 1 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.353 -0.086 19282 525 1 1 . 1 1 92 92 ILE C C 92 176.136 176.136 174.678 1.458 19282 526 1 1 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.387 0.811 19282 527 1 1 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.277 -3.249 19282 528 1 1 . 1 1 92 92 ILE H H 92 8.086 8.086 7.865 0.221 19282 529 1 1 . 1 1 93 93 THR N N 93 119.647 119.647 116.466 3.181 19282 530 1 1 . 1 1 93 93 THR HA H 93 4.487 4.487 4.204 0.283 19282 531 1 1 . 1 1 93 93 THR C C 93 173.748 173.748 174.636 -0.888 19282 532 1 1 . 1 1 93 93 THR CA C 93 61.605 61.605 61.991 -0.386 19282 533 1 1 . 1 1 93 93 THR CB C 93 70.404 70.404 69.575 0.829 19282 534 1 1 . 1 1 93 93 THR H H 93 8.238 8.238 7.659 0.579 19282 535 1 1 . 1 1 94 94 GLY N N 94 111.397 111.397 111.104 0.293 19282 536 1 1 . 1 1 94 94 GLY C C 94 172.757 172.757 173.618 -0.861 19282 537 1 1 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.048 -0.334 19282 538 1 1 . 1 1 94 94 GLY H H 94 8.133 8.133 8.562 -0.429 19282 539 1 1 . 1 1 95 95 ASP N N 95 119.905 119.905 120.056 -0.151 19282 540 1 1 . 1 1 95 95 ASP HA H 95 4.743 4.743 5.128 -0.385 19282 541 1 1 . 1 1 95 95 ASP C C 95 175.600 175.600 174.965 0.635 19282 542 1 1 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.245 0.938 19282 543 1 1 . 1 1 95 95 ASP CB C 95 41.877 41.877 42.323 -0.446 19282 544 1 1 . 1 1 95 95 ASP H H 95 8.285 8.285 8.008 0.277 19282 545 1 1 . 1 1 96 96 THR N N 96 115.409 115.409 120.028 -4.619 19282 546 1 1 . 1 1 96 96 THR HA H 96 4.136 4.136 4.435 -0.299 19282 547 1 1 . 1 1 96 96 THR C C 96 173.508 173.508 173.852 -0.344 19282 548 1 1 . 1 1 96 96 THR CA C 96 61.369 61.369 61.447 -0.078 19282 549 1 1 . 1 1 96 96 THR CB C 96 69.775 69.775 69.970 -0.195 19282 550 1 1 . 1 1 96 96 THR H H 96 7.936 7.936 8.639 -0.703 19282 551 1 1 . 1 1 97 97 GLU N N 97 123.162 123.162 120.455 2.707 19282 552 1 1 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.202 0.022 19282 553 1 1 . 1 1 97 97 GLU C C 97 175.455 175.455 174.660 0.795 19282 554 1 1 . 1 1 97 97 GLU CA C 97 56.162 56.162 58.055 -1.893 19282 555 1 1 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.623 3.065 19282 556 1 1 . 1 1 97 97 GLU H H 97 8.186 8.186 8.244 -0.058 19282 557 1 1 . 1 1 98 98 ASN N N 98 117.342 117.342 117.371 -0.029 19282 558 1 1 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.829 -0.308 19282 559 1 1 . 1 1 98 98 ASN C C 98 174.251 174.251 173.870 0.381 19282 560 1 1 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.079 1.370 19282 561 1 1 . 1 1 98 98 ASN CB C 98 40.229 40.229 40.744 -0.515 19282 562 1 1 . 1 1 98 98 ASN H H 98 7.997 7.997 8.058 -0.061 19282 563 1 1 . 1 1 99 99 ASP N N 99 120.235 120.235 119.643 0.592 19282 564 1 1 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.609 -0.016 19282 565 1 1 . 1 1 99 99 ASP C C 99 176.261 176.261 175.627 0.634 19282 566 1 1 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.591 1.547 19282 567 1 1 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.964 -0.569 19282 568 1 1 . 1 1 99 99 ASP H H 99 8.365 8.365 8.556 -0.191 19282 569 1 1 . 1 1 100 100 SER N N 100 116.248 116.248 115.364 0.884 19282 570 1 1 . 1 1 100 100 SER HA H 100 4.990 4.990 4.589 0.401 19282 571 1 1 . 1 1 100 100 SER C C 100 172.411 172.411 174.182 -1.771 19282 572 1 1 . 1 1 100 100 SER CA C 100 59.212 59.212 58.182 1.030 19282 573 1 1 . 1 1 100 100 SER CB C 100 66.127 66.127 63.635 2.492 19282 574 1 1 . 1 1 100 100 SER H H 100 7.862 7.862 7.534 0.328 19282 575 1 1 . 1 1 101 101 CYS N N 101 121.559 121.559 121.040 0.519 19282 576 1 1 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.416 -0.360 19282 577 1 1 . 1 1 101 101 CYS C C 101 172.356 172.356 173.871 -1.515 19282 578 1 1 . 1 1 101 101 CYS CA C 101 59.446 59.446 54.727 4.719 19282 579 1 1 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.348 15.284 19282 580 1 1 . 1 1 101 101 CYS H H 101 9.231 9.231 8.729 0.502 19282 581 1 1 . 1 1 102 102 ALA N N 102 124.390 124.390 122.037 2.353 19282 582 1 1 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.462 -0.082 19282 583 1 1 . 1 1 102 102 ALA C C 102 175.442 175.442 175.684 -0.242 19282 584 1 1 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.264 1.363 19282 585 1 1 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.708 0.263 19282 586 1 1 . 1 1 102 102 ALA H H 102 8.393 8.393 8.531 -0.138 19282 587 1 1 . 1 1 103 103 ALA N N 103 120.824 120.824 122.332 -1.508 19282 588 1 1 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.519 -0.028 19282 589 1 1 . 1 1 103 103 ALA C C 103 176.664 176.664 175.575 1.089 19282 590 1 1 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.334 0.049 19282 591 1 1 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.569 0.443 19282 592 1 1 . 1 1 103 103 ALA H H 103 8.859 8.859 9.131 -0.272 19282 593 1 1 . 1 1 104 104 ILE N N 104 119.488 119.488 121.878 -2.390 19282 594 1 1 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.569 0.049 19282 595 1 1 . 1 1 104 104 ILE C C 104 175.968 175.968 175.440 0.528 19282 596 1 1 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.624 0.496 19282 597 1 1 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.831 2.462 19282 598 1 1 . 1 1 104 104 ILE H H 104 9.301 9.301 8.760 0.541 19282 599 1 1 . 1 1 105 105 SER N N 105 121.988 121.988 122.573 -0.585 19282 600 1 1 . 1 1 105 105 SER HA H 105 4.793 4.793 5.092 -0.299 19282 601 1 1 . 1 1 105 105 SER C C 105 175.288 175.288 174.473 0.815 19282 602 1 1 . 1 1 105 105 SER CA C 105 56.729 56.729 56.688 0.041 19282 603 1 1 . 1 1 105 105 SER CB C 105 64.136 64.136 63.932 0.204 19282 604 1 1 . 1 1 105 105 SER H H 105 8.747 8.747 8.017 0.730 19282 605 1 1 . 1 1 106 106 GLY N N 106 117.934 117.934 117.018 0.916 19282 606 1 1 . 1 1 106 106 GLY C C 106 173.274 173.274 173.450 -0.176 19282 607 1 1 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.463 2.398 19282 608 1 1 . 1 1 106 106 GLY H H 106 9.283 9.283 8.847 0.436 19282 609 1 1 . 1 1 107 107 ASP N N 107 122.936 122.936 124.283 -1.347 19282 610 1 1 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.766 -0.133 19282 611 1 1 . 1 1 107 107 ASP C C 107 174.997 174.997 175.914 -0.917 19282 612 1 1 . 1 1 107 107 ASP CA C 107 53.502 53.502 53.803 -0.301 19282 613 1 1 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.304 -0.376 19282 614 1 1 . 1 1 107 107 ASP H H 107 8.420 8.420 8.419 0.001 19282 615 1 1 . 1 1 108 108 LYS N N 108 116.770 116.770 119.872 -3.102 19282 616 1 1 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.643 0.081 19282 617 1 1 . 1 1 108 108 LYS C C 108 173.949 173.949 174.871 -0.922 19282 618 1 1 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.643 1.100 19282 619 1 1 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.339 0.084 19282 620 1 1 . 1 1 108 108 LYS H H 108 7.764 7.764 7.364 0.400 19282 621 1 1 . 1 1 109 109 VAL N N 109 120.190 120.190 119.253 0.937 19282 622 1 1 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.418 0.313 19282 623 1 1 . 1 1 109 109 VAL C C 109 175.297 175.297 176.212 -0.915 19282 624 1 1 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.356 0.652 19282 625 1 1 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.765 -0.769 19282 626 1 1 . 1 1 109 109 VAL H H 109 8.315 8.315 8.342 -0.027 19282 627 1 1 . 1 1 110 110 THR N N 110 121.358 121.358 117.468 3.890 19282 628 1 1 . 1 1 110 110 THR HA H 110 4.765 4.765 4.224 0.541 19282 629 1 1 . 1 1 110 110 THR C C 110 172.026 172.026 172.650 -0.624 19282 630 1 1 . 1 1 110 110 THR CA C 110 59.150 59.150 60.042 -0.892 19282 631 1 1 . 1 1 110 110 THR CB C 110 71.063 71.063 71.745 -0.682 19282 632 1 1 . 1 1 110 110 THR H H 110 9.253 9.253 8.940 0.313 19282 633 1 1 . 1 1 111 111 PHE N N 111 116.390 116.390 114.910 1.480 19282 634 1 1 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.744 -0.141 19282 635 1 1 . 1 1 111 111 PHE C C 111 174.645 174.645 174.128 0.517 19282 636 1 1 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.345 -0.383 19282 637 1 1 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.453 -0.476 19282 638 1 1 . 1 1 111 111 PHE H H 111 7.934 7.934 7.822 0.112 19282 639 1 1 . 1 1 112 112 GLU N N 112 119.577 119.577 120.832 -1.255 19282 640 1 1 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.840 0.080 19282 641 1 1 . 1 1 112 112 GLU C C 112 175.303 175.303 174.858 0.445 19282 642 1 1 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.452 0.235 19282 643 1 1 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.453 1.702 19282 644 1 1 . 1 1 112 112 GLU H H 112 9.266 9.266 9.656 -0.390 19282 645 1 1 . 1 1 113 113 SER N N 113 114.911 114.911 115.431 -0.520 19282 646 1 1 . 1 1 113 113 SER HA H 113 4.706 4.706 4.665 0.041 19282 647 1 1 . 1 1 113 113 SER C C 113 178.063 178.063 175.812 2.251 19282 648 1 1 . 1 1 113 113 SER CA C 113 59.218 59.218 58.608 0.610 19282 649 1 1 . 1 1 113 113 SER CB C 113 63.646 63.646 63.779 -0.133 19282 650 1 1 . 1 1 113 113 SER H H 113 8.880 8.880 8.731 0.149 19282 651 1 1 . 1 1 114 114 CYS N N 114 125.039 125.039 123.954 1.085 19282 652 1 1 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.741 0.530 19282 653 1 1 . 1 1 114 114 CYS C C 114 174.382 174.382 176.127 -1.745 19282 654 1 1 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.586 -0.934 19282 655 1 1 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.815 19.809 19282 656 1 1 . 1 1 114 114 CYS H H 114 9.143 9.143 9.137 0.006 19282 657 1 1 . 1 1 115 115 ASN N N 115 116.644 116.644 116.821 -0.177 19282 658 1 1 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.641 0.435 19282 659 1 1 . 1 1 115 115 ASN C C 115 175.268 175.268 175.239 0.029 19282 660 1 1 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.261 -0.156 19282 661 1 1 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.306 -0.221 19282 662 1 1 . 1 1 115 115 ASN H H 115 8.251 8.251 8.667 -0.416 19282 663 1 1 . 1 1 116 116 SER N N 116 117.296 117.296 116.533 0.763 19282 664 1 1 . 1 1 116 116 SER HA H 116 4.509 4.509 4.551 -0.042 19282 665 1 1 . 1 1 116 116 SER C C 116 170.342 170.342 173.646 -3.304 19282 666 1 1 . 1 1 116 116 SER CA C 116 59.592 59.592 58.117 1.475 19282 667 1 1 . 1 1 116 116 SER CB C 116 63.948 63.948 64.948 -1.000 19282 668 1 1 . 1 1 116 116 SER H H 116 7.988 7.988 8.069 -0.081 19282 669 1 1 . 1 1 117 117 ASP N N 117 119.393 119.393 123.733 -4.340 19282 670 1 1 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.006 -0.173 19282 671 1 1 . 1 1 117 117 ASP C C 117 174.981 174.981 175.270 -0.289 19282 672 1 1 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.016 -0.685 19282 673 1 1 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.436 1.196 19282 674 1 1 . 1 1 117 117 ASP H H 117 8.027 8.027 8.675 -0.648 19282 675 1 1 . 1 1 118 118 ASN N N 118 121.127 121.127 122.301 -1.174 19282 676 1 1 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.955 -0.015 19282 677 1 1 . 1 1 118 118 ASN C C 118 176.169 176.169 174.702 1.467 19282 678 1 1 . 1 1 118 118 ASN CA C 118 52.074 52.074 51.992 0.082 19282 679 1 1 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.012 -0.780 19282 680 1 1 . 1 1 118 118 ASN H H 118 8.634 8.634 8.926 -0.292 19282 681 1 1 . 1 1 119 119 ARG N N 119 118.108 118.108 118.673 -0.565 19282 682 1 1 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.716 -1.225 19282 683 1 1 . 1 1 119 119 ARG C C 119 174.125 174.125 176.179 -2.054 19282 684 1 1 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.258 1.409 19282 685 1 1 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.204 0.139 19282 686 1 1 . 1 1 119 119 ARG H H 119 6.943 6.943 8.728 -1.785 19282 687 1 1 . 1 1 120 120 TRP N N 120 113.700 113.700 115.766 -2.066 19282 688 1 1 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.564 0.161 19282 689 1 1 . 1 1 120 120 TRP C C 120 173.109 173.109 173.844 -0.735 19282 690 1 1 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.427 1.221 19282 691 1 1 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.357 0.714 19282 692 1 1 . 1 1 120 120 TRP H H 120 8.511 8.511 8.119 0.392 19282 693 1 1 . 1 1 121 121 ILE N N 121 117.255 117.255 120.312 -3.057 19282 694 1 1 . 1 1 121 121 ILE HA H 121 5.338 5.338 5.064 0.274 19282 695 1 1 . 1 1 121 121 ILE C C 121 176.617 176.617 175.374 1.243 19282 696 1 1 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.499 -0.069 19282 697 1 1 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.763 0.645 19282 698 1 1 . 1 1 121 121 ILE H H 121 7.551 7.551 8.736 -1.185 19282 699 1 1 . 1 1 122 122 CYS N N 122 122.116 122.116 126.510 -4.394 19282 700 1 1 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.475 0.529 19282 701 1 1 . 1 1 122 122 CYS C C 122 174.897 174.897 174.016 0.881 19282 702 1 1 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.345 -5.769 19282 703 1 1 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.554 9.864 19282 704 1 1 . 1 1 122 122 CYS H H 122 9.449 9.449 9.289 0.160 19282 705 1 1 . 1 1 123 123 GLN N N 123 118.635 118.635 120.586 -1.951 19282 706 1 1 . 1 1 123 123 GLN HA H 123 6.227 6.227 5.979 0.248 19282 707 1 1 . 1 1 123 123 GLN C C 123 174.014 174.014 174.506 -0.492 19282 708 1 1 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.224 -0.395 19282 709 1 1 . 1 1 123 123 GLN CB C 123 34.972 34.972 32.694 2.278 19282 710 1 1 . 1 1 123 123 GLN H H 123 10.073 10.073 9.600 0.473 19282 711 1 1 . 1 1 124 124 LYS N N 124 121.677 121.677 123.684 -2.007 19282 712 1 1 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.583 0.256 19282 713 1 1 . 1 1 124 124 LYS C C 124 174.809 174.809 175.526 -0.717 19282 714 1 1 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.394 1.009 19282 715 1 1 . 1 1 124 124 LYS CB C 124 37.577 37.577 34.531 3.046 19282 716 1 1 . 1 1 124 124 LYS H H 124 9.115 9.115 9.155 -0.040 19282 717 1 1 . 1 1 125 125 GLU N N 125 122.487 122.487 126.907 -4.420 19282 718 1 1 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.084 0.491 19282 719 1 1 . 1 1 125 125 GLU C C 125 176.057 176.057 175.566 0.491 19282 720 1 1 . 1 1 125 125 GLU CA C 125 56.021 56.021 58.025 -2.004 19282 721 1 1 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.927 1.225 19282 722 1 1 . 1 1 125 125 GLU H H 125 8.695 8.695 8.829 -0.134 19282 723 1 1 . 1 1 126 126 LEU N N 126 123.898 123.898 126.359 -2.461 19282 724 1 1 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.475 -0.336 19282 725 1 1 . 1 1 126 126 LEU C C 126 176.479 176.479 176.794 -0.315 19282 726 1 1 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.557 0.026 19282 727 1 1 . 1 1 126 126 LEU CB C 126 42.625 42.625 43.341 -0.716 19282 728 1 1 . 1 1 126 126 LEU H H 126 8.332 8.332 8.119 0.213 19282 729 1 1 . 1 1 127 127 TYR N N 127 118.052 118.052 114.655 3.397 19282 730 1 1 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.582 -0.053 19282 731 1 1 . 1 1 127 127 TYR C C 127 175.072 175.072 173.755 1.317 19282 732 1 1 . 1 1 127 127 TYR CA C 127 57.486 57.486 56.813 0.673 19282 733 1 1 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.709 -3.841 19282 734 1 1 . 1 1 127 127 TYR H H 127 8.028 8.028 8.097 -0.069 19282 735 1 1 . 1 1 128 128 HIS N N 128 120.723 120.723 115.451 5.272 19282 736 1 1 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.921 -0.337 19282 737 1 1 . 1 1 128 128 HIS C C 128 174.487 174.487 173.433 1.054 19282 738 1 1 . 1 1 128 128 HIS CA C 128 55.688 55.688 55.010 0.678 19282 739 1 1 . 1 1 128 128 HIS CB C 128 30.515 30.515 31.877 -1.362 19282 740 1 1 . 1 1 128 128 HIS H H 128 8.014 8.014 8.249 -0.235 19282 741 1 1 . 1 1 129 129 GLU N N 129 122.855 122.855 120.228 2.627 19282 742 1 1 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.771 -0.486 19282 743 1 1 . 1 1 129 129 GLU C C 129 176.492 176.492 175.128 1.364 19282 744 1 1 . 1 1 129 129 GLU CA C 129 56.817 56.817 55.321 1.496 19282 745 1 1 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.228 -2.756 19282 746 1 1 . 1 1 129 129 GLU H H 129 8.424 8.424 8.650 -0.226 19282 747 1 1 . 1 1 130 130 THR N N 130 116.228 116.228 117.481 -1.253 19282 748 1 1 . 1 1 130 130 THR HA H 130 4.339 4.339 4.997 -0.658 19282 749 1 1 . 1 1 130 130 THR C C 130 174.589 174.589 173.124 1.465 19282 750 1 1 . 1 1 130 130 THR CA C 130 62.205 62.205 62.212 -0.007 19282 751 1 1 . 1 1 130 130 THR CB C 130 69.939 69.939 69.962 -0.023 19282 752 1 1 . 1 1 130 130 THR H H 130 8.311 8.311 8.649 -0.338 19282 753 1 1 . 1 1 131 131 LEU N N 131 124.856 124.856 129.654 -4.798 19282 754 1 1 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.734 -0.324 19282 755 1 1 . 1 1 131 131 LEU C C 131 177.438 177.438 174.134 3.304 19282 756 1 1 . 1 1 131 131 LEU CA C 131 55.362 55.362 55.726 -0.364 19282 757 1 1 . 1 1 131 131 LEU CB C 131 42.356 42.356 44.851 -2.495 19282 758 1 1 . 1 1 131 131 LEU H H 131 8.294 8.294 8.486 -0.192 19282 759 1 1 . 1 1 132 132 SER N N 132 116.127 116.127 119.170 -3.043 19282 760 1 1 . 1 1 132 132 SER HA H 132 4.397 4.397 5.173 -0.776 19282 761 1 1 . 1 1 132 132 SER C C 132 174.250 174.250 172.923 1.327 19282 762 1 1 . 1 1 132 132 SER CA C 132 58.571 58.571 57.493 1.078 19282 763 1 1 . 1 1 132 132 SER CB C 132 63.862 63.862 65.547 -1.685 19282 764 1 1 . 1 1 132 132 SER H H 132 8.255 8.255 8.294 -0.039 19282 765 1 1 . 1 1 133 133 ASN N N 133 120.181 120.181 122.168 -1.987 19282 766 1 1 . 1 1 133 133 ASN HA H 133 4.692 4.692 5.030 -0.338 19282 767 1 1 . 1 1 133 133 ASN C C 133 174.658 174.658 173.619 1.039 19282 768 1 1 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.074 0.265 19282 769 1 1 . 1 1 133 133 ASN CB C 133 38.838 38.838 41.459 -2.621 19282 770 1 1 . 1 1 133 133 ASN H H 133 8.293 8.293 9.151 -0.858 19282 771 1 1 . 1 1 134 134 TYR N N 134 120.605 120.605 120.137 0.468 19282 772 1 1 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.621 -0.048 19282 773 1 1 . 1 1 134 134 TYR C C 134 175.726 175.726 174.262 1.464 19282 774 1 1 . 1 1 134 134 TYR CA C 134 58.149 58.149 58.282 -0.133 19282 775 1 1 . 1 1 134 134 TYR CB C 134 38.845 38.845 38.742 0.103 19282 776 1 1 . 1 1 134 134 TYR H H 134 8.067 8.067 8.002 0.065 19282 777 1 1 . 1 1 135 135 VAL N N 135 122.466 122.466 126.845 -4.379 19282 778 1 1 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.842 0.205 19282 779 1 1 . 1 1 135 135 VAL C C 135 176.130 176.130 176.026 0.104 19282 780 1 1 . 1 1 135 135 VAL CA C 135 62.546 62.546 62.752 -0.206 19282 781 1 1 . 1 1 135 135 VAL CB C 135 32.778 32.778 31.735 1.043 19282 782 1 1 . 1 1 135 135 VAL H H 135 7.952 7.952 8.420 -0.468 19282 783 1 1 . 1 1 136 136 GLY N N 136 111.336 111.336 105.697 5.639 19282 784 1 1 . 1 1 136 136 GLY C C 136 173.652 173.652 174.512 -0.860 19282 785 1 1 . 1 1 136 136 GLY CA C 136 45.218 45.218 45.141 0.077 19282 786 1 1 . 1 1 136 136 GLY H H 136 7.915 7.915 7.068 0.847 19282 787 1 1 . 1 1 137 137 TYR N N 137 119.801 119.801 125.019 -5.218 19282 788 1 1 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.714 -0.150 19282 789 1 1 . 1 1 137 137 TYR C C 137 176.375 176.375 176.560 -0.185 19282 790 1 1 . 1 1 137 137 TYR CA C 137 58.168 58.168 59.182 -1.014 19282 791 1 1 . 1 1 137 137 TYR CB C 137 38.925 38.925 39.566 -0.641 19282 792 1 1 . 1 1 137 137 TYR H H 137 7.994 7.994 8.579 -0.585 19282 793 1 1 . 1 1 138 138 GLY N N 138 110.979 110.979 103.299 7.680 19282 794 1 1 . 1 1 138 138 GLY C C 138 173.159 173.159 174.022 -0.863 19282 795 1 1 . 1 1 138 138 GLY CA C 138 45.375 45.375 44.738 0.637 19282 796 1 1 . 1 1 138 138 GLY H H 138 8.345 8.345 7.693 0.652 19282 797 1 2 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.677 -0.293 19282 798 1 2 . 1 1 2 2 ALA C C 2 177.184 177.184 177.110 0.074 19282 799 1 2 . 1 1 2 2 ALA CA C 2 52.459 52.459 50.857 1.602 19282 800 1 2 . 1 1 2 2 ALA CB C 2 19.488 19.488 21.093 -1.605 19282 801 1 2 . 1 1 3 3 LYS N N 3 120.996 120.996 124.080 -3.084 19282 802 1 2 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.101 0.218 19282 803 1 2 . 1 1 3 3 LYS C C 3 176.038 176.038 176.724 -0.686 19282 804 1 2 . 1 1 3 3 LYS CA C 3 56.188 56.188 57.684 -1.496 19282 805 1 2 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.900 0.361 19282 806 1 2 . 1 1 3 3 LYS H H 3 8.272 8.272 8.742 -0.470 19282 807 1 2 . 1 1 4 4 LEU N N 4 124.847 124.847 117.673 7.174 19282 808 1 2 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.424 -0.028 19282 809 1 2 . 1 1 4 4 LEU C C 4 175.745 175.745 175.660 0.085 19282 810 1 2 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.262 1.530 19282 811 1 2 . 1 1 4 4 LEU CB C 4 42.683 42.683 43.158 -0.475 19282 812 1 2 . 1 1 4 4 LEU H H 4 8.247 8.247 7.579 0.668 19282 813 1 2 . 1 1 5 5 GLU N N 5 120.599 120.599 118.884 1.715 19282 814 1 2 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.520 -0.001 19282 815 1 2 . 1 1 5 5 GLU C C 5 176.076 176.076 175.863 0.213 19282 816 1 2 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.389 -0.392 19282 817 1 2 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.752 1.601 19282 818 1 2 . 1 1 5 5 GLU H H 5 8.093 8.093 8.343 -0.250 19282 819 1 2 . 1 1 6 6 CYS N N 6 120.079 120.079 118.955 1.124 19282 820 1 2 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.749 -0.013 19282 821 1 2 . 1 1 6 6 CYS C C 6 172.237 172.237 172.445 -0.208 19282 822 1 2 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.703 -2.485 19282 823 1 2 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.660 9.784 19282 824 1 2 . 1 1 6 6 CYS H H 6 8.750 8.750 8.369 0.381 19282 825 1 2 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.380 -0.031 19282 826 1 2 . 1 1 7 7 PRO C C 7 176.014 176.014 177.868 -1.854 19282 827 1 2 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.859 -0.387 19282 828 1 2 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.117 -0.916 19282 829 1 2 . 1 1 8 8 GLN N N 8 120.940 120.940 120.156 0.784 19282 830 1 2 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.012 0.096 19282 831 1 2 . 1 1 8 8 GLN C C 8 176.701 176.701 175.943 0.758 19282 832 1 2 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.555 -0.469 19282 833 1 2 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.574 0.269 19282 834 1 2 . 1 1 8 8 GLN H H 8 8.443 8.443 8.687 -0.244 19282 835 1 2 . 1 1 9 9 ASP N N 9 116.982 116.982 118.137 -1.155 19282 836 1 2 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.777 -0.261 19282 837 1 2 . 1 1 9 9 ASP C C 9 176.201 176.201 175.843 0.358 19282 838 1 2 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.567 2.046 19282 839 1 2 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.937 -1.525 19282 840 1 2 . 1 1 9 9 ASP H H 9 9.023 9.023 8.350 0.673 19282 841 1 2 . 1 1 10 10 TRP N N 10 121.568 121.568 118.912 2.656 19282 842 1 2 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.002 0.061 19282 843 1 2 . 1 1 10 10 TRP C C 10 175.997 175.997 176.947 -0.950 19282 844 1 2 . 1 1 10 10 TRP CA C 10 57.664 57.664 55.928 1.736 19282 845 1 2 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.325 -1.250 19282 846 1 2 . 1 1 10 10 TRP H H 10 8.440 8.440 7.869 0.571 19282 847 1 2 . 1 1 11 11 LEU N N 11 123.195 123.195 126.074 -2.879 19282 848 1 2 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.599 0.165 19282 849 1 2 . 1 1 11 11 LEU C C 11 176.837 176.837 176.818 0.019 19282 850 1 2 . 1 1 11 11 LEU CA C 11 54.607 54.607 54.112 0.495 19282 851 1 2 . 1 1 11 11 LEU CB C 11 44.386 44.386 40.645 3.741 19282 852 1 2 . 1 1 11 11 LEU H H 11 9.613 9.613 9.330 0.283 19282 853 1 2 . 1 1 12 12 SER N N 12 116.705 116.705 121.482 -4.777 19282 854 1 2 . 1 1 12 12 SER HA H 12 5.389 5.389 4.497 0.892 19282 855 1 2 . 1 1 12 12 SER C C 12 174.164 174.164 173.785 0.379 19282 856 1 2 . 1 1 12 12 SER CA C 12 57.066 57.066 59.350 -2.284 19282 857 1 2 . 1 1 12 12 SER CB C 12 65.488 65.488 63.097 2.391 19282 858 1 2 . 1 1 12 12 SER H H 12 8.733 8.733 8.245 0.488 19282 859 1 2 . 1 1 13 13 HIS N N 13 123.615 123.615 125.946 -2.331 19282 860 1 2 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.428 -0.123 19282 861 1 2 . 1 1 13 13 HIS C C 13 173.536 173.536 174.270 -0.734 19282 862 1 2 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.110 2.167 19282 863 1 2 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.781 0.171 19282 864 1 2 . 1 1 13 13 HIS H H 13 8.303 8.303 8.595 -0.292 19282 865 1 2 . 1 1 14 14 ARG N N 14 125.609 125.609 123.465 2.144 19282 866 1 2 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.617 -0.095 19282 867 1 2 . 1 1 14 14 ARG C C 14 175.434 175.434 175.635 -0.201 19282 868 1 2 . 1 1 14 14 ARG CA C 14 58.414 58.414 59.214 -0.800 19282 869 1 2 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.625 -0.843 19282 870 1 2 . 1 1 14 14 ARG H H 14 8.858 8.858 8.846 0.012 19282 871 1 2 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.767 -0.004 19282 872 1 2 . 1 1 15 15 ASP C C 15 174.250 174.250 175.042 -0.792 19282 873 1 2 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.803 1.683 19282 874 1 2 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.415 -0.967 19282 875 1 2 . 1 1 16 16 LYS N N 16 118.266 118.266 119.116 -0.850 19282 876 1 2 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.721 0.295 19282 877 1 2 . 1 1 16 16 LYS C C 16 175.472 175.472 174.192 1.280 19282 878 1 2 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.841 0.723 19282 879 1 2 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.448 0.857 19282 880 1 2 . 1 1 16 16 LYS H H 16 8.289 8.289 7.967 0.322 19282 881 1 2 . 1 1 17 17 CYS N N 17 118.232 118.232 117.941 0.291 19282 882 1 2 . 1 1 17 17 CYS HA H 17 5.934 5.934 4.922 1.012 19282 883 1 2 . 1 1 17 17 CYS C C 17 174.859 174.859 173.498 1.361 19282 884 1 2 . 1 1 17 17 CYS CA C 17 52.547 52.547 58.438 -5.891 19282 885 1 2 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.897 13.300 19282 886 1 2 . 1 1 17 17 CYS H H 17 8.492 8.492 8.605 -0.113 19282 887 1 2 . 1 1 18 18 PHE N N 18 121.121 121.121 121.901 -0.780 19282 888 1 2 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.468 0.778 19282 889 1 2 . 1 1 18 18 PHE C C 18 174.238 174.238 175.016 -0.778 19282 890 1 2 . 1 1 18 18 PHE CA C 18 56.427 56.427 55.263 1.164 19282 891 1 2 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.094 1.096 19282 892 1 2 . 1 1 18 18 PHE H H 18 10.029 10.029 9.148 0.881 19282 893 1 2 . 1 1 19 19 HIS N N 19 122.393 122.393 122.422 -0.029 19282 894 1 2 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.536 -0.173 19282 895 1 2 . 1 1 19 19 HIS C C 19 172.933 172.933 172.784 0.149 19282 896 1 2 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.518 0.564 19282 897 1 2 . 1 1 19 19 HIS CB C 19 30.399 30.399 31.887 -1.488 19282 898 1 2 . 1 1 19 19 HIS H H 19 8.624 8.624 9.223 -0.599 19282 899 1 2 . 1 1 20 20 VAL N N 20 128.351 128.351 128.743 -0.392 19282 900 1 2 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.820 0.371 19282 901 1 2 . 1 1 20 20 VAL C C 20 174.971 174.971 175.003 -0.032 19282 902 1 2 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.226 -1.177 19282 903 1 2 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.018 1.091 19282 904 1 2 . 1 1 20 20 VAL H H 20 7.880 7.880 8.211 -0.331 19282 905 1 2 . 1 1 21 21 SER N N 21 123.985 123.985 124.657 -0.672 19282 906 1 2 . 1 1 21 21 SER HA H 21 3.904 3.904 4.156 -0.252 19282 907 1 2 . 1 1 21 21 SER C C 21 173.842 173.842 174.344 -0.502 19282 908 1 2 . 1 1 21 21 SER CA C 21 59.417 59.417 57.962 1.455 19282 909 1 2 . 1 1 21 21 SER CB C 21 62.993 62.993 62.611 0.382 19282 910 1 2 . 1 1 21 21 SER H H 21 8.802 8.802 8.141 0.661 19282 911 1 2 . 1 1 22 22 GLN N N 22 118.390 118.390 124.452 -6.062 19282 912 1 2 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.290 -0.017 19282 913 1 2 . 1 1 22 22 GLN C C 22 175.650 175.650 174.775 0.875 19282 914 1 2 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.451 0.275 19282 915 1 2 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.542 1.500 19282 916 1 2 . 1 1 22 22 GLN H H 22 8.866 8.866 8.630 0.236 19282 917 1 2 . 1 1 23 23 VAL N N 23 113.258 113.258 113.051 0.207 19282 918 1 2 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.502 -0.188 19282 919 1 2 . 1 1 23 23 VAL C C 23 172.691 172.691 175.145 -2.454 19282 920 1 2 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.567 0.219 19282 921 1 2 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.794 0.574 19282 922 1 2 . 1 1 23 23 VAL H H 23 6.897 6.897 7.076 -0.179 19282 923 1 2 . 1 1 24 24 SER N N 24 115.205 115.205 118.625 -3.420 19282 924 1 2 . 1 1 24 24 SER HA H 24 4.894 4.894 5.546 -0.652 19282 925 1 2 . 1 1 24 24 SER C C 24 173.846 173.846 173.902 -0.056 19282 926 1 2 . 1 1 24 24 SER CA C 24 56.040 56.040 57.627 -1.587 19282 927 1 2 . 1 1 24 24 SER CB C 24 65.361 65.361 65.038 0.323 19282 928 1 2 . 1 1 24 24 SER H H 24 8.125 8.125 8.516 -0.391 19282 929 1 2 . 1 1 25 25 ASN N N 25 122.669 122.669 120.528 2.141 19282 930 1 2 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.082 0.006 19282 931 1 2 . 1 1 25 25 ASN C C 25 175.285 175.285 173.812 1.473 19282 932 1 2 . 1 1 25 25 ASN CA C 25 53.030 53.030 51.703 1.327 19282 933 1 2 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.497 -0.962 19282 934 1 2 . 1 1 25 25 ASN H H 25 9.854 9.854 9.523 0.331 19282 935 1 2 . 1 1 26 26 THR N N 26 113.569 113.569 112.153 1.416 19282 936 1 2 . 1 1 26 26 THR HA H 26 5.520 5.520 5.027 0.493 19282 937 1 2 . 1 1 26 26 THR C C 26 174.350 174.350 175.457 -1.107 19282 938 1 2 . 1 1 26 26 THR CA C 26 61.930 61.930 61.029 0.901 19282 939 1 2 . 1 1 26 26 THR CB C 26 70.719 70.719 70.149 0.570 19282 940 1 2 . 1 1 26 26 THR H H 26 9.718 9.718 8.095 1.623 19282 941 1 2 . 1 1 27 27 TRP N N 27 121.857 121.857 123.396 -1.539 19282 942 1 2 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.228 -0.611 19282 943 1 2 . 1 1 27 27 TRP C C 27 177.624 177.624 177.467 0.157 19282 944 1 2 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.042 0.609 19282 945 1 2 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.082 1.346 19282 946 1 2 . 1 1 27 27 TRP H H 27 7.836 7.836 8.524 -0.688 19282 947 1 2 . 1 1 28 28 GLU N N 28 114.949 114.949 116.442 -1.493 19282 948 1 2 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.670 0.038 19282 949 1 2 . 1 1 28 28 GLU C C 28 178.928 178.928 178.637 0.291 19282 950 1 2 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.311 0.278 19282 951 1 2 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.054 0.426 19282 952 1 2 . 1 1 28 28 GLU H H 28 8.827 8.827 8.515 0.311 19282 953 1 2 . 1 1 29 29 GLU N N 29 118.462 118.462 120.386 -1.924 19282 954 1 2 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.976 -0.050 19282 955 1 2 . 1 1 29 29 GLU C C 29 179.587 179.587 178.795 0.792 19282 956 1 2 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.601 -0.032 19282 957 1 2 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.110 -0.977 19282 958 1 2 . 1 1 29 29 GLU H H 29 7.259 7.259 7.444 -0.185 19282 959 1 2 . 1 1 30 30 GLY N N 30 112.186 112.186 107.222 4.964 19282 960 1 2 . 1 1 30 30 GLY C C 30 173.516 173.516 175.509 -1.993 19282 961 1 2 . 1 1 30 30 GLY CA C 30 45.742 45.742 46.119 -0.377 19282 962 1 2 . 1 1 30 30 GLY H H 30 7.871 7.871 7.922 -0.051 19282 963 1 2 . 1 1 31 31 LEU N N 31 122.216 122.216 122.503 -0.287 19282 964 1 2 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.734 -0.389 19282 965 1 2 . 1 1 31 31 LEU C C 31 179.828 179.828 178.385 1.443 19282 966 1 2 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.368 1.587 19282 967 1 2 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.723 -0.248 19282 968 1 2 . 1 1 31 31 LEU H H 31 7.610 7.610 7.414 0.196 19282 969 1 2 . 1 1 32 32 VAL N N 32 118.301 118.301 118.436 -0.135 19282 970 1 2 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.499 0.152 19282 971 1 2 . 1 1 32 32 VAL C C 32 179.041 179.041 177.889 1.152 19282 972 1 2 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.769 -0.902 19282 973 1 2 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.253 0.723 19282 974 1 2 . 1 1 32 32 VAL H H 32 7.571 7.571 7.371 0.200 19282 975 1 2 . 1 1 33 33 ASP N N 33 123.085 123.085 120.749 2.336 19282 976 1 2 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.321 0.056 19282 977 1 2 . 1 1 33 33 ASP C C 33 179.766 179.766 178.657 1.109 19282 978 1 2 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.100 0.037 19282 979 1 2 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.671 2.764 19282 980 1 2 . 1 1 33 33 ASP H H 33 7.924 7.924 7.843 0.081 19282 981 1 2 . 1 1 34 34 CYS N N 34 115.181 115.181 117.667 -2.486 19282 982 1 2 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.443 0.061 19282 983 1 2 . 1 1 34 34 CYS C C 34 177.697 177.697 177.290 0.407 19282 984 1 2 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.549 -5.479 19282 985 1 2 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.378 8.043 19282 986 1 2 . 1 1 34 34 CYS H H 34 8.486 8.486 7.808 0.678 19282 987 1 2 . 1 1 35 35 ASP N N 35 123.300 123.300 121.070 2.230 19282 988 1 2 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.698 0.056 19282 989 1 2 . 1 1 35 35 ASP C C 35 180.457 180.457 179.394 1.063 19282 990 1 2 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.712 0.559 19282 991 1 2 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.449 1.694 19282 992 1 2 . 1 1 35 35 ASP H H 35 8.458 8.458 8.012 0.446 19282 993 1 2 . 1 1 36 36 GLY N N 36 107.140 107.140 108.707 -1.567 19282 994 1 2 . 1 1 36 36 GLY C C 36 175.345 175.345 175.425 -0.080 19282 995 1 2 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.786 0.090 19282 996 1 2 . 1 1 36 36 GLY H H 36 8.281 8.281 8.106 0.175 19282 997 1 2 . 1 1 37 37 LYS N N 37 119.450 119.450 119.397 0.053 19282 998 1 2 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.472 0.074 19282 999 1 2 . 1 1 37 37 LYS C C 37 176.415 176.415 175.975 0.440 19282 1000 1 2 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.919 0.911 19282 1001 1 2 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.501 1.253 19282 1002 1 2 . 1 1 37 37 LYS H H 37 7.587 7.587 7.612 -0.025 19282 1003 1 2 . 1 1 38 38 GLY N N 38 109.781 109.781 106.936 2.845 19282 1004 1 2 . 1 1 38 38 GLY C C 38 174.144 174.144 173.340 0.804 19282 1005 1 2 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.286 1.505 19282 1006 1 2 . 1 1 38 38 GLY H H 38 8.205 8.205 7.807 0.398 19282 1007 1 2 . 1 1 39 39 ALA N N 39 123.317 123.317 121.196 2.121 19282 1008 1 2 . 1 1 39 39 ALA HA H 39 5.116 5.116 4.650 0.466 19282 1009 1 2 . 1 1 39 39 ALA C C 39 174.817 174.817 175.113 -0.296 19282 1010 1 2 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.811 -0.637 19282 1011 1 2 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.984 2.169 19282 1012 1 2 . 1 1 39 39 ALA H H 39 8.107 8.107 7.745 0.362 19282 1013 1 2 . 1 1 40 40 THR N N 40 108.747 108.747 110.880 -2.133 19282 1014 1 2 . 1 1 40 40 THR HA H 40 5.080 5.080 4.736 0.344 19282 1015 1 2 . 1 1 40 40 THR C C 40 175.723 175.723 173.880 1.843 19282 1016 1 2 . 1 1 40 40 THR CA C 40 60.173 60.173 59.705 0.468 19282 1017 1 2 . 1 1 40 40 THR CB C 40 72.452 72.452 71.824 0.628 19282 1018 1 2 . 1 1 40 40 THR H H 40 8.566 8.566 9.011 -0.445 19282 1019 1 2 . 1 1 41 41 LEU N N 41 123.750 123.750 124.814 -1.064 19282 1020 1 2 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.519 0.535 19282 1021 1 2 . 1 1 41 41 LEU C C 41 177.800 177.800 177.422 0.378 19282 1022 1 2 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.876 0.800 19282 1023 1 2 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.731 1.893 19282 1024 1 2 . 1 1 41 41 LEU H H 41 7.791 7.791 8.768 -0.977 19282 1025 1 2 . 1 1 42 42 MET N N 42 116.452 116.452 128.130 -11.678 19282 1026 1 2 . 1 1 42 42 MET HA H 42 4.098 4.098 4.342 -0.244 19282 1027 1 2 . 1 1 42 42 MET C C 42 174.097 174.097 174.609 -0.512 19282 1028 1 2 . 1 1 42 42 MET CA C 42 57.887 57.887 56.317 1.570 19282 1029 1 2 . 1 1 42 42 MET CB C 42 34.299 34.299 32.499 1.800 19282 1030 1 2 . 1 1 42 42 MET H H 42 7.983 7.983 9.036 -1.053 19282 1031 1 2 . 1 1 43 43 LEU N N 43 128.106 128.106 127.597 0.509 19282 1032 1 2 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.634 0.883 19282 1033 1 2 . 1 1 43 43 LEU C C 43 174.928 174.928 174.880 0.048 19282 1034 1 2 . 1 1 43 43 LEU CA C 43 53.533 53.533 53.164 0.369 19282 1035 1 2 . 1 1 43 43 LEU CB C 43 42.828 42.828 42.137 0.691 19282 1036 1 2 . 1 1 43 43 LEU H H 43 8.078 8.078 8.449 -0.371 19282 1037 1 2 . 1 1 44 44 ILE N N 44 118.686 118.686 122.961 -4.275 19282 1038 1 2 . 1 1 44 44 ILE HA H 44 4.202 4.202 4.072 0.130 19282 1039 1 2 . 1 1 44 44 ILE C C 44 175.736 175.736 175.235 0.501 19282 1040 1 2 . 1 1 44 44 ILE CA C 44 61.051 61.051 60.643 0.408 19282 1041 1 2 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.354 -0.186 19282 1042 1 2 . 1 1 44 44 ILE H H 44 5.273 5.273 7.017 -1.744 19282 1043 1 2 . 1 1 45 45 GLN N N 45 127.754 127.754 127.284 0.470 19282 1044 1 2 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.278 -0.099 19282 1045 1 2 . 1 1 45 45 GLN C C 45 175.402 175.402 174.676 0.726 19282 1046 1 2 . 1 1 45 45 GLN CA C 45 57.103 57.103 57.289 -0.186 19282 1047 1 2 . 1 1 45 45 GLN CB C 45 30.833 30.833 29.903 0.930 19282 1048 1 2 . 1 1 45 45 GLN H H 45 9.722 9.722 8.660 1.062 19282 1049 1 2 . 1 1 46 46 ASP N N 46 114.490 114.490 115.115 -0.625 19282 1050 1 2 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.835 -0.191 19282 1051 1 2 . 1 1 46 46 ASP C C 46 175.286 175.286 175.658 -0.372 19282 1052 1 2 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.174 0.082 19282 1053 1 2 . 1 1 46 46 ASP CB C 46 42.752 42.752 43.468 -0.716 19282 1054 1 2 . 1 1 46 46 ASP H H 46 7.545 7.545 7.796 -0.251 19282 1055 1 2 . 1 1 47 47 GLN N N 47 118.745 118.745 120.103 -1.358 19282 1056 1 2 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.138 -0.135 19282 1057 1 2 . 1 1 47 47 GLN C C 47 177.858 177.858 177.415 0.443 19282 1058 1 2 . 1 1 47 47 GLN CA C 47 58.995 58.995 59.250 -0.255 19282 1059 1 2 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.653 -0.185 19282 1060 1 2 . 1 1 47 47 GLN H H 47 8.954 8.954 8.905 0.049 19282 1061 1 2 . 1 1 48 48 GLU N N 48 121.721 121.721 118.415 3.306 19282 1062 1 2 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.146 -0.064 19282 1063 1 2 . 1 1 48 48 GLU C C 48 179.073 179.073 179.067 0.006 19282 1064 1 2 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.694 0.256 19282 1065 1 2 . 1 1 48 48 GLU CB C 48 28.747 28.747 28.596 0.151 19282 1066 1 2 . 1 1 48 48 GLU H H 48 8.532 8.532 8.941 -0.409 19282 1067 1 2 . 1 1 49 49 GLU N N 49 120.709 120.709 119.531 1.178 19282 1068 1 2 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.200 -0.424 19282 1069 1 2 . 1 1 49 49 GLU C C 49 177.707 177.707 179.185 -1.478 19282 1070 1 2 . 1 1 49 49 GLU CA C 49 59.829 59.829 58.955 0.875 19282 1071 1 2 . 1 1 49 49 GLU CB C 49 30.627 30.627 28.901 1.726 19282 1072 1 2 . 1 1 49 49 GLU H H 49 8.336 8.336 7.672 0.664 19282 1073 1 2 . 1 1 50 50 LEU N N 50 118.070 118.070 119.331 -1.261 19282 1074 1 2 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.866 0.071 19282 1075 1 2 . 1 1 50 50 LEU C C 50 177.342 177.342 179.023 -1.681 19282 1076 1 2 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.804 0.471 19282 1077 1 2 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.440 0.266 19282 1078 1 2 . 1 1 50 50 LEU H H 50 7.175 7.175 7.477 -0.302 19282 1079 1 2 . 1 1 51 51 ARG N N 51 117.898 117.898 119.586 -1.688 19282 1080 1 2 . 1 1 51 51 ARG HA H 51 3.807 3.807 3.932 -0.125 19282 1081 1 2 . 1 1 51 51 ARG C C 51 177.876 177.876 178.680 -0.804 19282 1082 1 2 . 1 1 51 51 ARG CA C 51 59.373 59.373 59.919 -0.545 19282 1083 1 2 . 1 1 51 51 ARG CB C 51 29.928 29.928 30.072 -0.144 19282 1084 1 2 . 1 1 51 51 ARG H H 51 8.135 8.135 8.466 -0.331 19282 1085 1 2 . 1 1 52 52 PHE N N 52 118.865 118.865 121.067 -2.202 19282 1086 1 2 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.417 -0.289 19282 1087 1 2 . 1 1 52 52 PHE C C 52 178.379 178.379 177.509 0.870 19282 1088 1 2 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.583 0.697 19282 1089 1 2 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.166 -0.652 19282 1090 1 2 . 1 1 52 52 PHE H H 52 8.003 8.003 7.988 0.015 19282 1091 1 2 . 1 1 53 53 LEU N N 53 122.451 122.451 122.145 0.306 19282 1092 1 2 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.868 -0.464 19282 1093 1 2 . 1 1 53 53 LEU C C 53 178.870 178.870 179.025 -0.155 19282 1094 1 2 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.646 -0.350 19282 1095 1 2 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.772 0.559 19282 1096 1 2 . 1 1 53 53 LEU H H 53 7.824 7.824 8.157 -0.333 19282 1097 1 2 . 1 1 54 54 LEU N N 54 117.828 117.828 119.517 -1.689 19282 1098 1 2 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.779 0.008 19282 1099 1 2 . 1 1 54 54 LEU C C 54 179.783 179.783 179.444 0.339 19282 1100 1 2 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.168 -0.235 19282 1101 1 2 . 1 1 54 54 LEU CB C 54 40.931 40.931 41.005 -0.074 19282 1102 1 2 . 1 1 54 54 LEU H H 54 8.361 8.361 8.617 -0.256 19282 1103 1 2 . 1 1 55 55 ASP N N 55 116.846 116.846 118.598 -1.752 19282 1104 1 2 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.266 0.111 19282 1105 1 2 . 1 1 55 55 ASP C C 55 177.824 177.824 177.697 0.127 19282 1106 1 2 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.956 -0.724 19282 1107 1 2 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.369 0.464 19282 1108 1 2 . 1 1 55 55 ASP H H 55 7.933 7.933 7.859 0.074 19282 1109 1 2 . 1 1 56 56 SER N N 56 114.399 114.399 114.309 0.090 19282 1110 1 2 . 1 1 56 56 SER HA H 56 4.122 4.122 4.162 -0.040 19282 1111 1 2 . 1 1 56 56 SER C C 56 174.277 174.277 176.370 -2.093 19282 1112 1 2 . 1 1 56 56 SER CA C 56 60.677 60.677 60.128 0.549 19282 1113 1 2 . 1 1 56 56 SER CB C 56 63.675 63.675 63.950 -0.275 19282 1114 1 2 . 1 1 56 56 SER H H 56 7.441 7.441 7.564 -0.123 19282 1115 1 2 . 1 1 57 57 ILE N N 57 121.159 121.159 122.324 -1.165 19282 1116 1 2 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.612 0.185 19282 1117 1 2 . 1 1 57 57 ILE C C 57 175.873 175.873 177.654 -1.781 19282 1118 1 2 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.735 -0.924 19282 1119 1 2 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.510 1.056 19282 1120 1 2 . 1 1 57 57 ILE H H 57 7.378 7.378 8.291 -0.913 19282 1121 1 2 . 1 1 58 58 LYS N N 58 124.292 124.292 117.569 6.723 19282 1122 1 2 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.734 0.430 19282 1123 1 2 . 1 1 58 58 LYS C C 58 177.266 177.266 177.376 -0.110 19282 1124 1 2 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.875 -1.551 19282 1125 1 2 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.325 1.965 19282 1126 1 2 . 1 1 58 58 LYS H H 58 8.218 8.218 7.784 0.434 19282 1127 1 2 . 1 1 59 59 GLU N N 59 119.807 119.807 121.183 -1.376 19282 1128 1 2 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.075 0.276 19282 1129 1 2 . 1 1 59 59 GLU C C 59 176.023 176.023 177.042 -1.019 19282 1130 1 2 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.644 -2.730 19282 1131 1 2 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.561 -0.730 19282 1132 1 2 . 1 1 59 59 GLU H H 59 7.761 7.761 8.503 -0.742 19282 1133 1 2 . 1 1 60 60 LYS N N 60 120.606 120.606 112.392 8.214 19282 1134 1 2 . 1 1 60 60 LYS HA H 60 4.157 4.157 4.055 0.102 19282 1135 1 2 . 1 1 60 60 LYS C C 60 176.229 176.229 174.836 1.393 19282 1136 1 2 . 1 1 60 60 LYS CA C 60 57.008 57.008 57.554 -0.546 19282 1137 1 2 . 1 1 60 60 LYS CB C 60 32.431 32.431 29.519 2.912 19282 1138 1 2 . 1 1 60 60 LYS H H 60 8.051 8.051 8.509 -0.458 19282 1139 1 2 . 1 1 61 61 TYR N N 61 115.876 115.876 116.185 -0.309 19282 1140 1 2 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.613 -0.019 19282 1141 1 2 . 1 1 61 61 TYR C C 61 175.714 175.714 174.697 1.017 19282 1142 1 2 . 1 1 61 61 TYR CA C 61 57.110 57.110 57.351 -0.241 19282 1143 1 2 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.123 0.376 19282 1144 1 2 . 1 1 61 61 TYR H H 61 7.756 7.756 7.953 -0.197 19282 1145 1 2 . 1 1 62 62 ASN N N 62 118.634 118.634 115.666 2.968 19282 1146 1 2 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.832 -0.102 19282 1147 1 2 . 1 1 62 62 ASN C C 62 173.016 173.016 172.515 0.501 19282 1148 1 2 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.823 0.831 19282 1149 1 2 . 1 1 62 62 ASN CB C 62 41.378 41.378 42.576 -1.198 19282 1150 1 2 . 1 1 62 62 ASN H H 62 7.477 7.477 7.310 0.167 19282 1151 1 2 . 1 1 63 63 SER N N 63 115.211 115.211 115.045 0.166 19282 1152 1 2 . 1 1 63 63 SER HA H 63 5.256 5.256 5.190 0.066 19282 1153 1 2 . 1 1 63 63 SER C C 63 172.817 172.817 172.255 0.562 19282 1154 1 2 . 1 1 63 63 SER CA C 63 57.506 57.506 57.389 0.117 19282 1155 1 2 . 1 1 63 63 SER CB C 63 63.821 63.821 65.913 -2.092 19282 1156 1 2 . 1 1 63 63 SER H H 63 8.107 8.107 7.871 0.236 19282 1157 1 2 . 1 1 64 64 PHE N N 64 118.959 118.959 121.794 -2.835 19282 1158 1 2 . 1 1 64 64 PHE HA H 64 4.588 4.588 4.994 -0.406 19282 1159 1 2 . 1 1 64 64 PHE C C 64 175.495 175.495 175.270 0.225 19282 1160 1 2 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.571 -0.129 19282 1161 1 2 . 1 1 64 64 PHE CB C 64 42.226 42.226 40.481 1.745 19282 1162 1 2 . 1 1 64 64 PHE H H 64 8.735 8.735 8.934 -0.199 19282 1163 1 2 . 1 1 65 65 TRP N N 65 124.651 124.651 125.061 -0.410 19282 1164 1 2 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.825 0.918 19282 1165 1 2 . 1 1 65 65 TRP C C 65 175.951 175.951 176.676 -0.725 19282 1166 1 2 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.330 -0.252 19282 1167 1 2 . 1 1 65 65 TRP CB C 65 32.676 32.676 29.924 2.752 19282 1168 1 2 . 1 1 65 65 TRP H H 65 10.282 10.282 9.106 1.176 19282 1169 1 2 . 1 1 66 66 ILE N N 66 109.430 109.430 116.628 -7.198 19282 1170 1 2 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.100 0.174 19282 1171 1 2 . 1 1 66 66 ILE C C 66 177.380 177.380 177.312 0.068 19282 1172 1 2 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.153 1.445 19282 1173 1 2 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.807 0.957 19282 1174 1 2 . 1 1 66 66 ILE H H 66 8.443 8.443 8.758 -0.315 19282 1175 1 2 . 1 1 67 67 GLY N N 67 111.319 111.319 110.484 0.835 19282 1176 1 2 . 1 1 67 67 GLY C C 67 172.897 172.897 173.538 -0.641 19282 1177 1 2 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.941 4.054 19282 1178 1 2 . 1 1 67 67 GLY H H 67 10.395 10.395 9.297 1.098 19282 1179 1 2 . 1 1 68 68 LEU N N 68 127.499 127.499 122.697 4.802 19282 1180 1 2 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.521 0.363 19282 1181 1 2 . 1 1 68 68 LEU C C 68 173.367 173.367 175.639 -2.272 19282 1182 1 2 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.001 0.636 19282 1183 1 2 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.495 3.586 19282 1184 1 2 . 1 1 68 68 LEU H H 68 8.446 8.446 8.456 -0.010 19282 1185 1 2 . 1 1 69 69 ARG N N 69 124.432 124.432 122.296 2.136 19282 1186 1 2 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.625 0.285 19282 1187 1 2 . 1 1 69 69 ARG C C 69 173.026 173.026 174.077 -1.051 19282 1188 1 2 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.639 1.839 19282 1189 1 2 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.347 0.997 19282 1190 1 2 . 1 1 69 69 ARG H H 69 8.479 8.479 8.525 -0.046 19282 1191 1 2 . 1 1 70 70 TYR N N 70 128.687 128.687 126.825 1.862 19282 1192 1 2 . 1 1 70 70 TYR HA H 70 3.876 3.876 4.077 -0.201 19282 1193 1 2 . 1 1 70 70 TYR C C 70 175.118 175.118 175.291 -0.173 19282 1194 1 2 . 1 1 70 70 TYR CA C 70 57.747 57.747 55.170 2.577 19282 1195 1 2 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.002 0.229 19282 1196 1 2 . 1 1 70 70 TYR H H 70 7.936 7.936 7.733 0.203 19282 1197 1 2 . 1 1 71 71 THR N N 71 120.097 120.097 122.342 -2.245 19282 1198 1 2 . 1 1 71 71 THR HA H 71 4.477 4.477 4.220 0.257 19282 1199 1 2 . 1 1 71 71 THR C C 71 172.547 172.547 172.857 -0.310 19282 1200 1 2 . 1 1 71 71 THR CA C 71 60.631 60.631 61.349 -0.718 19282 1201 1 2 . 1 1 71 71 THR CB C 71 71.324 71.324 68.622 2.702 19282 1202 1 2 . 1 1 71 71 THR H H 71 7.701 7.701 8.496 -0.795 19282 1203 1 2 . 1 1 72 72 LEU N N 72 125.241 125.241 127.397 -2.156 19282 1204 1 2 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.667 -0.401 19282 1205 1 2 . 1 1 72 72 LEU C C 72 175.916 175.916 175.128 0.788 19282 1206 1 2 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.596 1.278 19282 1207 1 2 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.531 -1.711 19282 1208 1 2 . 1 1 72 72 LEU H H 72 8.487 8.487 8.099 0.388 19282 1209 1 2 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.598 -0.189 19282 1210 1 2 . 1 1 73 73 PRO C C 73 176.278 176.278 175.598 0.680 19282 1211 1 2 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.584 0.965 19282 1212 1 2 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.851 1.285 19282 1213 1 2 . 1 1 74 74 ASP N N 74 123.018 123.018 123.141 -0.123 19282 1214 1 2 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.467 -0.310 19282 1215 1 2 . 1 1 74 74 ASP C C 74 175.592 175.592 175.830 -0.238 19282 1216 1 2 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.684 1.844 19282 1217 1 2 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.473 -1.785 19282 1218 1 2 . 1 1 74 74 ASP H H 74 8.716 8.716 8.067 0.649 19282 1219 1 2 . 1 1 75 75 MET N N 75 113.361 113.361 115.857 -2.496 19282 1220 1 2 . 1 1 75 75 MET HA H 75 3.319 3.319 3.637 -0.318 19282 1221 1 2 . 1 1 75 75 MET C C 75 174.354 174.354 174.348 0.006 19282 1222 1 2 . 1 1 75 75 MET CA C 75 56.042 56.042 56.741 -0.699 19282 1223 1 2 . 1 1 75 75 MET CB C 75 29.181 29.181 30.293 -1.112 19282 1224 1 2 . 1 1 75 75 MET H H 75 8.421 8.421 8.067 0.354 19282 1225 1 2 . 1 1 76 76 ASN N N 76 112.997 112.997 115.468 -2.471 19282 1226 1 2 . 1 1 76 76 ASN HA H 76 4.808 4.808 4.985 -0.177 19282 1227 1 2 . 1 1 76 76 ASN C C 76 173.984 173.984 173.459 0.525 19282 1228 1 2 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.816 -1.532 19282 1229 1 2 . 1 1 76 76 ASN CB C 76 41.823 41.823 43.186 -1.363 19282 1230 1 2 . 1 1 76 76 ASN H H 76 6.883 6.883 7.371 -0.488 19282 1231 1 2 . 1 1 77 77 TRP N N 77 122.857 122.857 120.276 2.581 19282 1232 1 2 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.249 -0.715 19282 1233 1 2 . 1 1 77 77 TRP C C 77 175.329 175.329 175.778 -0.449 19282 1234 1 2 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.815 0.801 19282 1235 1 2 . 1 1 77 77 TRP CB C 77 30.117 30.117 30.430 -0.313 19282 1236 1 2 . 1 1 77 77 TRP H H 77 8.766 8.766 8.962 -0.196 19282 1237 1 2 . 1 1 78 78 LYS N N 78 121.731 121.731 121.831 -0.100 19282 1238 1 2 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.620 0.349 19282 1239 1 2 . 1 1 78 78 LYS C C 78 177.225 177.225 174.866 2.359 19282 1240 1 2 . 1 1 78 78 LYS CA C 78 55.149 55.149 55.130 0.019 19282 1241 1 2 . 1 1 78 78 LYS CB C 78 36.697 36.697 37.011 -0.314 19282 1242 1 2 . 1 1 78 78 LYS H H 78 8.584 8.584 8.652 -0.068 19282 1243 1 2 . 1 1 79 79 TRP N N 79 124.809 124.809 121.223 3.586 19282 1244 1 2 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.991 -0.314 19282 1245 1 2 . 1 1 79 79 TRP C C 79 180.969 180.969 179.073 1.896 19282 1246 1 2 . 1 1 79 79 TRP CA C 79 56.692 56.692 55.446 1.246 19282 1247 1 2 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.924 1.020 19282 1248 1 2 . 1 1 79 79 TRP H H 79 9.045 9.045 9.075 -0.030 19282 1249 1 2 . 1 1 80 80 ILE N N 80 114.947 114.947 118.417 -3.470 19282 1250 1 2 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.955 0.400 19282 1251 1 2 . 1 1 80 80 ILE C C 80 175.690 175.690 176.250 -0.560 19282 1252 1 2 . 1 1 80 80 ILE CA C 80 63.782 63.782 63.618 0.164 19282 1253 1 2 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.953 0.331 19282 1254 1 2 . 1 1 80 80 ILE H H 80 8.493 8.493 8.534 -0.041 19282 1255 1 2 . 1 1 81 81 ASN N N 81 116.185 116.185 116.996 -0.811 19282 1256 1 2 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.605 0.287 19282 1257 1 2 . 1 1 81 81 ASN C C 81 176.344 176.344 175.934 0.410 19282 1258 1 2 . 1 1 81 81 ASN CA C 81 52.787 52.787 53.115 -0.328 19282 1259 1 2 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.053 -0.275 19282 1260 1 2 . 1 1 81 81 ASN H H 81 7.370 7.370 8.028 -0.658 19282 1261 1 2 . 1 1 82 82 GLY N N 82 108.864 108.864 107.192 1.672 19282 1262 1 2 . 1 1 82 82 GLY C C 82 174.321 174.321 174.379 -0.058 19282 1263 1 2 . 1 1 82 82 GLY CA C 82 45.306 45.306 44.854 0.452 19282 1264 1 2 . 1 1 82 82 GLY H H 82 8.621 8.621 7.723 0.898 19282 1265 1 2 . 1 1 83 83 SER N N 83 116.447 116.447 117.278 -0.831 19282 1266 1 2 . 1 1 83 83 SER HA H 83 4.688 4.688 4.883 -0.195 19282 1267 1 2 . 1 1 83 83 SER C C 83 174.042 174.042 174.453 -0.411 19282 1268 1 2 . 1 1 83 83 SER CA C 83 58.822 58.822 59.092 -0.270 19282 1269 1 2 . 1 1 83 83 SER CB C 83 64.512 64.512 65.240 -0.728 19282 1270 1 2 . 1 1 83 83 SER H H 83 7.894 7.894 8.516 -0.622 19282 1271 1 2 . 1 1 84 84 THR N N 84 117.358 117.358 117.538 -0.180 19282 1272 1 2 . 1 1 84 84 THR HA H 84 4.628 4.628 4.631 -0.003 19282 1273 1 2 . 1 1 84 84 THR C C 84 174.906 174.906 174.898 0.008 19282 1274 1 2 . 1 1 84 84 THR CA C 84 62.727 62.727 62.138 0.590 19282 1275 1 2 . 1 1 84 84 THR CB C 84 70.047 70.047 70.414 -0.367 19282 1276 1 2 . 1 1 84 84 THR H H 84 8.710 8.710 8.323 0.387 19282 1277 1 2 . 1 1 85 85 LEU N N 85 125.457 125.457 127.038 -1.581 19282 1278 1 2 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.377 0.042 19282 1279 1 2 . 1 1 85 85 LEU C C 85 175.973 175.973 175.839 0.134 19282 1280 1 2 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.639 0.529 19282 1281 1 2 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.620 0.840 19282 1282 1 2 . 1 1 85 85 LEU H H 85 8.244 8.244 8.257 -0.013 19282 1283 1 2 . 1 1 86 86 ASN N N 86 126.729 126.729 124.549 2.180 19282 1284 1 2 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.847 0.215 19282 1285 1 2 . 1 1 86 86 ASN C C 86 176.112 176.112 175.533 0.579 19282 1286 1 2 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.105 0.138 19282 1287 1 2 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.081 0.550 19282 1288 1 2 . 1 1 86 86 ASN H H 86 9.042 9.042 9.056 -0.014 19282 1289 1 2 . 1 1 87 87 SER N N 87 120.386 120.386 120.697 -0.311 19282 1290 1 2 . 1 1 87 87 SER HA H 87 4.606 4.606 4.243 0.363 19282 1291 1 2 . 1 1 87 87 SER C C 87 174.673 174.673 175.179 -0.506 19282 1292 1 2 . 1 1 87 87 SER CA C 87 59.908 59.908 61.000 -1.092 19282 1293 1 2 . 1 1 87 87 SER CB C 87 63.602 63.602 63.467 0.135 19282 1294 1 2 . 1 1 87 87 SER H H 87 8.724 8.724 8.371 0.353 19282 1295 1 2 . 1 1 88 88 ASP N N 88 120.189 120.189 119.827 0.362 19282 1296 1 2 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.604 -0.027 19282 1297 1 2 . 1 1 88 88 ASP C C 88 177.211 177.211 177.487 -0.276 19282 1298 1 2 . 1 1 88 88 ASP CA C 88 55.987 55.987 55.797 0.190 19282 1299 1 2 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.812 -0.172 19282 1300 1 2 . 1 1 88 88 ASP H H 88 8.464 8.464 7.916 0.548 19282 1301 1 2 . 1 1 89 89 VAL N N 89 118.259 118.259 115.855 2.404 19282 1302 1 2 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.030 -0.043 19282 1303 1 2 . 1 1 89 89 VAL C C 89 175.071 175.071 175.429 -0.358 19282 1304 1 2 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.313 0.121 19282 1305 1 2 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.551 0.412 19282 1306 1 2 . 1 1 89 89 VAL H H 89 7.783 7.783 7.633 0.150 19282 1307 1 2 . 1 1 90 90 LEU N N 90 118.198 118.198 115.440 2.758 19282 1308 1 2 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.577 -0.097 19282 1309 1 2 . 1 1 90 90 LEU C C 90 173.881 173.881 174.958 -1.077 19282 1310 1 2 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.870 1.496 19282 1311 1 2 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.343 -1.077 19282 1312 1 2 . 1 1 90 90 LEU H H 90 7.537 7.537 7.433 0.104 19282 1313 1 2 . 1 1 91 91 LYS N N 91 122.032 122.032 120.960 1.072 19282 1314 1 2 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.237 0.196 19282 1315 1 2 . 1 1 91 91 LYS C C 91 175.565 175.565 175.076 0.489 19282 1316 1 2 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.092 -1.917 19282 1317 1 2 . 1 1 91 91 LYS CB C 91 33.177 33.177 32.292 0.885 19282 1318 1 2 . 1 1 91 91 LYS H H 91 8.121 8.121 8.299 -0.178 19282 1319 1 2 . 1 1 92 92 ILE N N 92 123.168 123.168 122.675 0.493 19282 1320 1 2 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.304 -0.037 19282 1321 1 2 . 1 1 92 92 ILE C C 92 176.136 176.136 174.158 1.978 19282 1322 1 2 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.833 0.366 19282 1323 1 2 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.709 -3.681 19282 1324 1 2 . 1 1 92 92 ILE H H 92 8.086 8.086 8.013 0.073 19282 1325 1 2 . 1 1 93 93 THR N N 93 119.647 119.647 117.153 2.494 19282 1326 1 2 . 1 1 93 93 THR HA H 93 4.487 4.487 4.818 -0.331 19282 1327 1 2 . 1 1 93 93 THR C C 93 173.748 173.748 175.486 -1.738 19282 1328 1 2 . 1 1 93 93 THR CA C 93 61.605 61.605 60.244 1.361 19282 1329 1 2 . 1 1 93 93 THR CB C 93 70.404 70.404 70.442 -0.038 19282 1330 1 2 . 1 1 93 93 THR H H 93 8.238 8.238 8.147 0.091 19282 1331 1 2 . 1 1 94 94 GLY N N 94 111.397 111.397 110.790 0.607 19282 1332 1 2 . 1 1 94 94 GLY C C 94 172.757 172.757 173.441 -0.684 19282 1333 1 2 . 1 1 94 94 GLY CA C 94 44.714 44.714 46.061 -1.347 19282 1334 1 2 . 1 1 94 94 GLY H H 94 8.133 8.133 8.750 -0.617 19282 1335 1 2 . 1 1 95 95 ASP N N 95 119.905 119.905 117.958 1.947 19282 1336 1 2 . 1 1 95 95 ASP HA H 95 4.743 4.743 5.354 -0.611 19282 1337 1 2 . 1 1 95 95 ASP C C 95 175.600 175.600 175.748 -0.148 19282 1338 1 2 . 1 1 95 95 ASP CA C 95 54.183 54.183 52.565 1.618 19282 1339 1 2 . 1 1 95 95 ASP CB C 95 41.877 41.877 42.045 -0.168 19282 1340 1 2 . 1 1 95 95 ASP H H 95 8.285 8.285 7.879 0.406 19282 1341 1 2 . 1 1 96 96 THR N N 96 115.409 115.409 117.649 -2.240 19282 1342 1 2 . 1 1 96 96 THR HA H 96 4.136 4.136 4.514 -0.378 19282 1343 1 2 . 1 1 96 96 THR C C 96 173.508 173.508 174.902 -1.394 19282 1344 1 2 . 1 1 96 96 THR CA C 96 61.369 61.369 61.435 -0.066 19282 1345 1 2 . 1 1 96 96 THR CB C 96 69.775 69.775 70.612 -0.837 19282 1346 1 2 . 1 1 96 96 THR H H 96 7.936 7.936 8.275 -0.339 19282 1347 1 2 . 1 1 97 97 GLU N N 97 123.162 123.162 119.111 4.051 19282 1348 1 2 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.116 0.108 19282 1349 1 2 . 1 1 97 97 GLU C C 97 175.455 175.455 175.321 0.134 19282 1350 1 2 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.679 -1.517 19282 1351 1 2 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.805 2.883 19282 1352 1 2 . 1 1 97 97 GLU H H 97 8.186 8.186 8.529 -0.343 19282 1353 1 2 . 1 1 98 98 ASN N N 98 117.342 117.342 116.914 0.428 19282 1354 1 2 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.883 -0.362 19282 1355 1 2 . 1 1 98 98 ASN C C 98 174.251 174.251 174.322 -0.071 19282 1356 1 2 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.169 1.280 19282 1357 1 2 . 1 1 98 98 ASN CB C 98 40.229 40.229 39.386 0.843 19282 1358 1 2 . 1 1 98 98 ASN H H 98 7.997 7.997 8.067 -0.070 19282 1359 1 2 . 1 1 99 99 ASP N N 99 120.235 120.235 119.561 0.674 19282 1360 1 2 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.590 0.003 19282 1361 1 2 . 1 1 99 99 ASP C C 99 176.261 176.261 175.900 0.361 19282 1362 1 2 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.756 1.382 19282 1363 1 2 . 1 1 99 99 ASP CB C 99 40.395 40.395 41.330 -0.935 19282 1364 1 2 . 1 1 99 99 ASP H H 99 8.365 8.365 8.570 -0.205 19282 1365 1 2 . 1 1 100 100 SER N N 100 116.248 116.248 115.408 0.840 19282 1366 1 2 . 1 1 100 100 SER HA H 100 4.990 4.990 4.561 0.429 19282 1367 1 2 . 1 1 100 100 SER C C 100 172.411 172.411 173.948 -1.537 19282 1368 1 2 . 1 1 100 100 SER CA C 100 59.212 59.212 58.689 0.523 19282 1369 1 2 . 1 1 100 100 SER CB C 100 66.127 66.127 64.339 1.788 19282 1370 1 2 . 1 1 100 100 SER H H 100 7.862 7.862 7.580 0.282 19282 1371 1 2 . 1 1 101 101 CYS N N 101 121.559 121.559 119.226 2.333 19282 1372 1 2 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.441 -0.385 19282 1373 1 2 . 1 1 101 101 CYS C C 101 172.356 172.356 173.729 -1.373 19282 1374 1 2 . 1 1 101 101 CYS CA C 101 59.446 59.446 54.828 4.618 19282 1375 1 2 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.180 15.451 19282 1376 1 2 . 1 1 101 101 CYS H H 101 9.231 9.231 8.839 0.392 19282 1377 1 2 . 1 1 102 102 ALA N N 102 124.390 124.390 122.825 1.565 19282 1378 1 2 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.460 -0.080 19282 1379 1 2 . 1 1 102 102 ALA C C 102 175.442 175.442 175.747 -0.305 19282 1380 1 2 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.234 1.393 19282 1381 1 2 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.599 0.372 19282 1382 1 2 . 1 1 102 102 ALA H H 102 8.393 8.393 8.745 -0.352 19282 1383 1 2 . 1 1 103 103 ALA N N 103 120.824 120.824 122.991 -2.167 19282 1384 1 2 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.430 0.061 19282 1385 1 2 . 1 1 103 103 ALA C C 103 176.664 176.664 175.490 1.174 19282 1386 1 2 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.321 0.062 19282 1387 1 2 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.666 0.346 19282 1388 1 2 . 1 1 103 103 ALA H H 103 8.859 8.859 9.267 -0.408 19282 1389 1 2 . 1 1 104 104 ILE N N 104 119.488 119.488 120.890 -1.402 19282 1390 1 2 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.658 -0.040 19282 1391 1 2 . 1 1 104 104 ILE C C 104 175.968 175.968 175.865 0.103 19282 1392 1 2 . 1 1 104 104 ILE CA C 104 61.121 61.121 61.046 0.075 19282 1393 1 2 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.545 2.748 19282 1394 1 2 . 1 1 104 104 ILE H H 104 9.301 9.301 8.865 0.436 19282 1395 1 2 . 1 1 105 105 SER N N 105 121.988 121.988 122.955 -0.967 19282 1396 1 2 . 1 1 105 105 SER HA H 105 4.793 4.793 4.907 -0.114 19282 1397 1 2 . 1 1 105 105 SER C C 105 175.288 175.288 175.131 0.157 19282 1398 1 2 . 1 1 105 105 SER CA C 105 56.729 56.729 58.774 -2.045 19282 1399 1 2 . 1 1 105 105 SER CB C 105 64.136 64.136 64.781 -0.645 19282 1400 1 2 . 1 1 105 105 SER H H 105 8.747 8.747 8.120 0.627 19282 1401 1 2 . 1 1 106 106 GLY N N 106 117.934 117.934 109.586 8.348 19282 1402 1 2 . 1 1 106 106 GLY C C 106 173.274 173.274 174.673 -1.399 19282 1403 1 2 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.386 2.475 19282 1404 1 2 . 1 1 106 106 GLY H H 106 9.283 9.283 7.835 1.448 19282 1405 1 2 . 1 1 107 107 ASP N N 107 122.936 122.936 119.283 3.653 19282 1406 1 2 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.683 -0.050 19282 1407 1 2 . 1 1 107 107 ASP C C 107 174.997 174.997 175.232 -0.235 19282 1408 1 2 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.670 -1.168 19282 1409 1 2 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.068 -0.140 19282 1410 1 2 . 1 1 107 107 ASP H H 107 8.420 8.420 8.502 -0.082 19282 1411 1 2 . 1 1 108 108 LYS N N 108 116.770 116.770 118.511 -1.741 19282 1412 1 2 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.674 0.050 19282 1413 1 2 . 1 1 108 108 LYS C C 108 173.949 173.949 174.708 -0.759 19282 1414 1 2 . 1 1 108 108 LYS CA C 108 54.743 54.743 54.466 0.277 19282 1415 1 2 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.822 -0.399 19282 1416 1 2 . 1 1 108 108 LYS H H 108 7.764 7.764 7.387 0.377 19282 1417 1 2 . 1 1 109 109 VAL N N 109 120.190 120.190 120.355 -0.165 19282 1418 1 2 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.392 0.339 19282 1419 1 2 . 1 1 109 109 VAL C C 109 175.297 175.297 175.997 -0.700 19282 1420 1 2 . 1 1 109 109 VAL CA C 109 62.009 62.009 62.025 -0.016 19282 1421 1 2 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.192 -0.196 19282 1422 1 2 . 1 1 109 109 VAL H H 109 8.315 8.315 8.520 -0.205 19282 1423 1 2 . 1 1 110 110 THR N N 110 121.358 121.358 117.650 3.708 19282 1424 1 2 . 1 1 110 110 THR HA H 110 4.765 4.765 4.621 0.144 19282 1425 1 2 . 1 1 110 110 THR C C 110 172.026 172.026 173.663 -1.637 19282 1426 1 2 . 1 1 110 110 THR CA C 110 59.150 59.150 60.026 -0.876 19282 1427 1 2 . 1 1 110 110 THR CB C 110 71.063 71.063 71.742 -0.679 19282 1428 1 2 . 1 1 110 110 THR H H 110 9.253 9.253 8.991 0.262 19282 1429 1 2 . 1 1 111 111 PHE N N 111 116.390 116.390 120.401 -4.011 19282 1430 1 2 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.657 -0.054 19282 1431 1 2 . 1 1 111 111 PHE C C 111 174.645 174.645 174.634 0.011 19282 1432 1 2 . 1 1 111 111 PHE CA C 111 55.962 55.962 55.540 0.422 19282 1433 1 2 . 1 1 111 111 PHE CB C 111 41.976 41.976 41.714 0.262 19282 1434 1 2 . 1 1 111 111 PHE H H 111 7.934 7.934 7.989 -0.055 19282 1435 1 2 . 1 1 112 112 GLU N N 112 119.577 119.577 119.512 0.065 19282 1436 1 2 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.785 0.135 19282 1437 1 2 . 1 1 112 112 GLU C C 112 175.303 175.303 174.871 0.432 19282 1438 1 2 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.512 0.175 19282 1439 1 2 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.105 2.050 19282 1440 1 2 . 1 1 112 112 GLU H H 112 9.266 9.266 9.681 -0.415 19282 1441 1 2 . 1 1 113 113 SER N N 113 114.911 114.911 115.449 -0.538 19282 1442 1 2 . 1 1 113 113 SER HA H 113 4.706 4.706 4.771 -0.065 19282 1443 1 2 . 1 1 113 113 SER C C 113 178.063 178.063 175.846 2.217 19282 1444 1 2 . 1 1 113 113 SER CA C 113 59.218 59.218 58.934 0.284 19282 1445 1 2 . 1 1 113 113 SER CB C 113 63.646 63.646 63.601 0.045 19282 1446 1 2 . 1 1 113 113 SER H H 113 8.880 8.880 8.828 0.052 19282 1447 1 2 . 1 1 114 114 CYS N N 114 125.039 125.039 123.178 1.861 19282 1448 1 2 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.600 0.671 19282 1449 1 2 . 1 1 114 114 CYS C C 114 174.382 174.382 175.752 -1.370 19282 1450 1 2 . 1 1 114 114 CYS CA C 114 59.652 59.652 61.204 -1.552 19282 1451 1 2 . 1 1 114 114 CYS CB C 114 45.624 45.624 26.594 19.030 19282 1452 1 2 . 1 1 114 114 CYS H H 114 9.143 9.143 9.095 0.047 19282 1453 1 2 . 1 1 115 115 ASN N N 115 116.644 116.644 114.708 1.936 19282 1454 1 2 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.600 0.476 19282 1455 1 2 . 1 1 115 115 ASN C C 115 175.268 175.268 175.416 -0.148 19282 1456 1 2 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.447 -0.342 19282 1457 1 2 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.361 -0.277 19282 1458 1 2 . 1 1 115 115 ASN H H 115 8.251 8.251 8.419 -0.168 19282 1459 1 2 . 1 1 116 116 SER N N 116 117.296 117.296 117.332 -0.036 19282 1460 1 2 . 1 1 116 116 SER HA H 116 4.509 4.509 4.528 -0.019 19282 1461 1 2 . 1 1 116 116 SER C C 116 170.342 170.342 174.246 -3.904 19282 1462 1 2 . 1 1 116 116 SER CA C 116 59.592 59.592 58.477 1.115 19282 1463 1 2 . 1 1 116 116 SER CB C 116 63.948 63.948 64.667 -0.719 19282 1464 1 2 . 1 1 116 116 SER H H 116 7.988 7.988 8.186 -0.198 19282 1465 1 2 . 1 1 117 117 ASP N N 117 119.393 119.393 124.669 -5.276 19282 1466 1 2 . 1 1 117 117 ASP HA H 117 4.833 4.833 4.867 -0.034 19282 1467 1 2 . 1 1 117 117 ASP C C 117 174.981 174.981 175.386 -0.405 19282 1468 1 2 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.594 -1.263 19282 1469 1 2 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.609 1.023 19282 1470 1 2 . 1 1 117 117 ASP H H 117 8.027 8.027 8.601 -0.574 19282 1471 1 2 . 1 1 118 118 ASN N N 118 121.127 121.127 124.001 -2.874 19282 1472 1 2 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.924 0.016 19282 1473 1 2 . 1 1 118 118 ASN C C 118 176.169 176.169 174.076 2.093 19282 1474 1 2 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.179 -0.105 19282 1475 1 2 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.361 -1.129 19282 1476 1 2 . 1 1 118 118 ASN H H 118 8.634 8.634 8.698 -0.064 19282 1477 1 2 . 1 1 119 119 ARG N N 119 118.108 118.108 118.440 -0.332 19282 1478 1 2 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.886 -1.395 19282 1479 1 2 . 1 1 119 119 ARG C C 119 174.125 174.125 176.089 -1.964 19282 1480 1 2 . 1 1 119 119 ARG CA C 119 56.668 56.668 54.771 1.897 19282 1481 1 2 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.654 -0.311 19282 1482 1 2 . 1 1 119 119 ARG H H 119 6.943 6.943 8.936 -1.993 19282 1483 1 2 . 1 1 120 120 TRP N N 120 113.700 113.700 115.883 -2.183 19282 1484 1 2 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.510 0.215 19282 1485 1 2 . 1 1 120 120 TRP C C 120 173.109 173.109 173.779 -0.670 19282 1486 1 2 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.582 1.066 19282 1487 1 2 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.372 0.699 19282 1488 1 2 . 1 1 120 120 TRP H H 120 8.511 8.511 8.153 0.358 19282 1489 1 2 . 1 1 121 121 ILE N N 121 117.255 117.255 120.375 -3.120 19282 1490 1 2 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.969 0.369 19282 1491 1 2 . 1 1 121 121 ILE C C 121 176.617 176.617 175.220 1.397 19282 1492 1 2 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.468 -0.038 19282 1493 1 2 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.465 0.943 19282 1494 1 2 . 1 1 121 121 ILE H H 121 7.551 7.551 8.737 -1.186 19282 1495 1 2 . 1 1 122 122 CYS N N 122 122.116 122.116 126.766 -4.650 19282 1496 1 2 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.153 0.851 19282 1497 1 2 . 1 1 122 122 CYS C C 122 174.897 174.897 173.643 1.254 19282 1498 1 2 . 1 1 122 122 CYS CA C 122 51.576 51.576 58.005 -6.429 19282 1499 1 2 . 1 1 122 122 CYS CB C 122 39.418 39.418 27.934 11.484 19282 1500 1 2 . 1 1 122 122 CYS H H 122 9.449 9.449 9.090 0.359 19282 1501 1 2 . 1 1 123 123 GLN N N 123 118.635 118.635 121.471 -2.836 19282 1502 1 2 . 1 1 123 123 GLN HA H 123 6.227 6.227 5.956 0.271 19282 1503 1 2 . 1 1 123 123 GLN C C 123 174.014 174.014 174.502 -0.488 19282 1504 1 2 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.378 -0.549 19282 1505 1 2 . 1 1 123 123 GLN CB C 123 34.972 34.972 32.922 2.050 19282 1506 1 2 . 1 1 123 123 GLN H H 123 10.073 10.073 9.667 0.406 19282 1507 1 2 . 1 1 124 124 LYS N N 124 121.677 121.677 123.671 -1.994 19282 1508 1 2 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.717 0.122 19282 1509 1 2 . 1 1 124 124 LYS C C 124 174.809 174.809 175.208 -0.399 19282 1510 1 2 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.920 0.482 19282 1511 1 2 . 1 1 124 124 LYS CB C 124 37.577 37.577 34.689 2.888 19282 1512 1 2 . 1 1 124 124 LYS H H 124 9.115 9.115 8.985 0.130 19282 1513 1 2 . 1 1 125 125 GLU N N 125 122.487 122.487 126.502 -4.015 19282 1514 1 2 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.407 0.168 19282 1515 1 2 . 1 1 125 125 GLU C C 125 176.057 176.057 175.763 0.294 19282 1516 1 2 . 1 1 125 125 GLU CA C 125 56.021 56.021 55.933 0.088 19282 1517 1 2 . 1 1 125 125 GLU CB C 125 31.152 31.152 30.509 0.644 19282 1518 1 2 . 1 1 125 125 GLU H H 125 8.695 8.695 8.807 -0.112 19282 1519 1 2 . 1 1 126 126 LEU N N 126 123.898 123.898 127.906 -4.008 19282 1520 1 2 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.204 -0.065 19282 1521 1 2 . 1 1 126 126 LEU C C 126 176.479 176.479 176.465 0.014 19282 1522 1 2 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.291 0.292 19282 1523 1 2 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.685 -0.060 19282 1524 1 2 . 1 1 126 126 LEU H H 126 8.332 8.332 8.734 -0.402 19282 1525 1 2 . 1 1 127 127 TYR N N 127 118.052 118.052 114.334 3.718 19282 1526 1 2 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.519 0.010 19282 1527 1 2 . 1 1 127 127 TYR C C 127 175.072 175.072 173.714 1.358 19282 1528 1 2 . 1 1 127 127 TYR CA C 127 57.486 57.486 56.854 0.632 19282 1529 1 2 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.618 -3.749 19282 1530 1 2 . 1 1 127 127 TYR H H 127 8.028 8.028 7.795 0.233 19282 1531 1 2 . 1 1 128 128 HIS N N 128 120.723 120.723 114.730 5.993 19282 1532 1 2 . 1 1 128 128 HIS HA H 128 4.584 4.584 5.179 -0.595 19282 1533 1 2 . 1 1 128 128 HIS C C 128 174.487 174.487 173.387 1.100 19282 1534 1 2 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.570 1.118 19282 1535 1 2 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.903 -2.388 19282 1536 1 2 . 1 1 128 128 HIS H H 128 8.014 8.014 8.423 -0.409 19282 1537 1 2 . 1 1 129 129 GLU N N 129 122.855 122.855 119.580 3.275 19282 1538 1 2 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.830 -0.546 19282 1539 1 2 . 1 1 129 129 GLU C C 129 176.492 176.492 175.230 1.262 19282 1540 1 2 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.666 2.151 19282 1541 1 2 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.286 -2.814 19282 1542 1 2 . 1 1 129 129 GLU H H 129 8.424 8.424 9.033 -0.609 19282 1543 1 2 . 1 1 130 130 THR N N 130 116.228 116.228 115.724 0.504 19282 1544 1 2 . 1 1 130 130 THR HA H 130 4.339 4.339 4.697 -0.358 19282 1545 1 2 . 1 1 130 130 THR C C 130 174.589 174.589 173.414 1.175 19282 1546 1 2 . 1 1 130 130 THR CA C 130 62.205 62.205 62.898 -0.693 19282 1547 1 2 . 1 1 130 130 THR CB C 130 69.939 69.939 69.176 0.763 19282 1548 1 2 . 1 1 130 130 THR H H 130 8.311 8.311 8.668 -0.357 19282 1549 1 2 . 1 1 131 131 LEU N N 131 124.856 124.856 129.290 -4.434 19282 1550 1 2 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.701 -0.291 19282 1551 1 2 . 1 1 131 131 LEU C C 131 177.438 177.438 175.443 1.995 19282 1552 1 2 . 1 1 131 131 LEU CA C 131 55.362 55.362 55.030 0.332 19282 1553 1 2 . 1 1 131 131 LEU CB C 131 42.356 42.356 43.196 -0.840 19282 1554 1 2 . 1 1 131 131 LEU H H 131 8.294 8.294 8.608 -0.314 19282 1555 1 2 . 1 1 132 132 SER N N 132 116.127 116.127 116.076 0.051 19282 1556 1 2 . 1 1 132 132 SER HA H 132 4.397 4.397 4.592 -0.195 19282 1557 1 2 . 1 1 132 132 SER C C 132 174.250 174.250 172.612 1.638 19282 1558 1 2 . 1 1 132 132 SER CA C 132 58.571 58.571 58.636 -0.065 19282 1559 1 2 . 1 1 132 132 SER CB C 132 63.862 63.862 64.191 -0.329 19282 1560 1 2 . 1 1 132 132 SER H H 132 8.255 8.255 8.039 0.216 19282 1561 1 2 . 1 1 133 133 ASN N N 133 120.181 120.181 119.701 0.480 19282 1562 1 2 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.741 -0.049 19282 1563 1 2 . 1 1 133 133 ASN C C 133 174.658 174.658 173.470 1.188 19282 1564 1 2 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.651 -0.312 19282 1565 1 2 . 1 1 133 133 ASN CB C 133 38.838 38.838 40.807 -1.969 19282 1566 1 2 . 1 1 133 133 ASN H H 133 8.293 8.293 8.735 -0.442 19282 1567 1 2 . 1 1 134 134 TYR N N 134 120.605 120.605 118.155 2.450 19282 1568 1 2 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.678 -0.105 19282 1569 1 2 . 1 1 134 134 TYR C C 134 175.726 175.726 175.833 -0.107 19282 1570 1 2 . 1 1 134 134 TYR CA C 134 58.149 58.149 58.072 0.077 19282 1571 1 2 . 1 1 134 134 TYR CB C 134 38.845 38.845 41.507 -2.662 19282 1572 1 2 . 1 1 134 134 TYR H H 134 8.067 8.067 8.147 -0.080 19282 1573 1 2 . 1 1 135 135 VAL N N 135 122.466 122.466 120.685 1.781 19282 1574 1 2 . 1 1 135 135 VAL HA H 135 4.047 4.047 4.090 -0.043 19282 1575 1 2 . 1 1 135 135 VAL C C 135 176.130 176.130 176.710 -0.580 19282 1576 1 2 . 1 1 135 135 VAL CA C 135 62.546 62.546 62.437 0.109 19282 1577 1 2 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.715 0.063 19282 1578 1 2 . 1 1 135 135 VAL H H 135 7.952 7.952 8.633 -0.681 19282 1579 1 2 . 1 1 136 136 GLY N N 136 111.336 111.336 108.665 2.671 19282 1580 1 2 . 1 1 136 136 GLY C C 136 173.652 173.652 173.583 0.069 19282 1581 1 2 . 1 1 136 136 GLY CA C 136 45.218 45.218 46.349 -1.131 19282 1582 1 2 . 1 1 136 136 GLY H H 136 7.915 7.915 8.106 -0.191 19282 1583 1 2 . 1 1 137 137 TYR N N 137 119.801 119.801 122.526 -2.725 19282 1584 1 2 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.828 -0.264 19282 1585 1 2 . 1 1 137 137 TYR C C 137 176.375 176.375 176.355 0.020 19282 1586 1 2 . 1 1 137 137 TYR CA C 137 58.168 58.168 56.310 1.858 19282 1587 1 2 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.632 0.293 19282 1588 1 2 . 1 1 137 137 TYR H H 137 7.994 7.994 8.242 -0.248 19282 1589 1 2 . 1 1 138 138 GLY N N 138 110.979 110.979 108.261 2.718 19282 1590 1 2 . 1 1 138 138 GLY C C 138 173.159 173.159 174.562 -1.403 19282 1591 1 2 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.122 0.253 19282 1592 1 2 . 1 1 138 138 GLY H H 138 8.345 8.345 8.040 0.305 19282 1593 1 3 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.438 -0.054 19282 1594 1 3 . 1 1 2 2 ALA C C 2 177.184 177.184 177.585 -0.401 19282 1595 1 3 . 1 1 2 2 ALA CA C 2 52.459 52.459 51.963 0.496 19282 1596 1 3 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.313 0.175 19282 1597 1 3 . 1 1 3 3 LYS N N 3 120.996 120.996 122.031 -1.035 19282 1598 1 3 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.198 0.121 19282 1599 1 3 . 1 1 3 3 LYS C C 3 176.038 176.038 176.445 -0.407 19282 1600 1 3 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.359 -0.172 19282 1601 1 3 . 1 1 3 3 LYS CB C 3 33.261 33.261 31.730 1.531 19282 1602 1 3 . 1 1 3 3 LYS H H 3 8.272 8.272 8.304 -0.032 19282 1603 1 3 . 1 1 4 4 LEU N N 4 124.847 124.847 127.081 -2.234 19282 1604 1 3 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.253 0.143 19282 1605 1 3 . 1 1 4 4 LEU C C 4 175.745 175.745 176.583 -0.838 19282 1606 1 3 . 1 1 4 4 LEU CA C 4 54.792 54.792 54.414 0.378 19282 1607 1 3 . 1 1 4 4 LEU CB C 4 42.683 42.683 42.521 0.162 19282 1608 1 3 . 1 1 4 4 LEU H H 4 8.247 8.247 8.162 0.085 19282 1609 1 3 . 1 1 5 5 GLU N N 5 120.599 120.599 119.619 0.980 19282 1610 1 3 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.420 0.099 19282 1611 1 3 . 1 1 5 5 GLU C C 5 176.076 176.076 175.815 0.261 19282 1612 1 3 . 1 1 5 5 GLU CA C 5 54.997 54.997 56.183 -1.186 19282 1613 1 3 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.227 2.126 19282 1614 1 3 . 1 1 5 5 GLU H H 5 8.093 8.093 8.346 -0.253 19282 1615 1 3 . 1 1 6 6 CYS N N 6 120.079 120.079 120.352 -0.273 19282 1616 1 3 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.783 -0.047 19282 1617 1 3 . 1 1 6 6 CYS C C 6 172.237 172.237 172.494 -0.257 19282 1618 1 3 . 1 1 6 6 CYS CA C 6 53.218 53.218 54.903 -1.685 19282 1619 1 3 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.120 10.325 19282 1620 1 3 . 1 1 6 6 CYS H H 6 8.750 8.750 8.336 0.414 19282 1621 1 3 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.347 0.002 19282 1622 1 3 . 1 1 7 7 PRO C C 7 176.014 176.014 177.734 -1.720 19282 1623 1 3 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.847 -0.375 19282 1624 1 3 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.021 -0.820 19282 1625 1 3 . 1 1 8 8 GLN N N 8 120.940 120.940 120.551 0.389 19282 1626 1 3 . 1 1 8 8 GLN HA H 8 4.108 4.108 3.996 0.112 19282 1627 1 3 . 1 1 8 8 GLN C C 8 176.701 176.701 175.990 0.711 19282 1628 1 3 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.553 -0.467 19282 1629 1 3 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.524 0.319 19282 1630 1 3 . 1 1 8 8 GLN H H 8 8.443 8.443 8.665 -0.222 19282 1631 1 3 . 1 1 9 9 ASP N N 9 116.982 116.982 117.922 -0.940 19282 1632 1 3 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.766 -0.250 19282 1633 1 3 . 1 1 9 9 ASP C C 9 176.201 176.201 176.271 -0.070 19282 1634 1 3 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.597 2.016 19282 1635 1 3 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.951 -1.539 19282 1636 1 3 . 1 1 9 9 ASP H H 9 9.023 9.023 8.378 0.645 19282 1637 1 3 . 1 1 10 10 TRP N N 10 121.568 121.568 119.053 2.515 19282 1638 1 3 . 1 1 10 10 TRP HA H 10 5.063 5.063 4.889 0.174 19282 1639 1 3 . 1 1 10 10 TRP C C 10 175.997 175.997 177.001 -1.004 19282 1640 1 3 . 1 1 10 10 TRP CA C 10 57.664 57.664 57.072 0.592 19282 1641 1 3 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.122 -1.047 19282 1642 1 3 . 1 1 10 10 TRP H H 10 8.440 8.440 7.695 0.745 19282 1643 1 3 . 1 1 11 11 LEU N N 11 123.195 123.195 124.170 -0.975 19282 1644 1 3 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.711 0.053 19282 1645 1 3 . 1 1 11 11 LEU C C 11 176.837 176.837 176.602 0.235 19282 1646 1 3 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.881 0.726 19282 1647 1 3 . 1 1 11 11 LEU CB C 11 44.386 44.386 41.807 2.579 19282 1648 1 3 . 1 1 11 11 LEU H H 11 9.613 9.613 9.264 0.349 19282 1649 1 3 . 1 1 12 12 SER N N 12 116.705 116.705 121.111 -4.406 19282 1650 1 3 . 1 1 12 12 SER HA H 12 5.389 5.389 4.728 0.661 19282 1651 1 3 . 1 1 12 12 SER C C 12 174.164 174.164 173.869 0.295 19282 1652 1 3 . 1 1 12 12 SER CA C 12 57.066 57.066 57.504 -0.438 19282 1653 1 3 . 1 1 12 12 SER CB C 12 65.488 65.488 63.399 2.089 19282 1654 1 3 . 1 1 12 12 SER H H 12 8.733 8.733 8.759 -0.026 19282 1655 1 3 . 1 1 13 13 HIS N N 13 123.615 123.615 126.920 -3.305 19282 1656 1 3 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.430 -0.125 19282 1657 1 3 . 1 1 13 13 HIS C C 13 173.536 173.536 174.307 -0.771 19282 1658 1 3 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.536 1.741 19282 1659 1 3 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.717 0.235 19282 1660 1 3 . 1 1 13 13 HIS H H 13 8.303 8.303 8.434 -0.131 19282 1661 1 3 . 1 1 14 14 ARG N N 14 125.609 125.609 123.994 1.615 19282 1662 1 3 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.554 -0.032 19282 1663 1 3 . 1 1 14 14 ARG C C 14 175.434 175.434 174.837 0.597 19282 1664 1 3 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.682 -0.268 19282 1665 1 3 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.836 -1.054 19282 1666 1 3 . 1 1 14 14 ARG H H 14 8.858 8.858 8.747 0.111 19282 1667 1 3 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.756 0.007 19282 1668 1 3 . 1 1 15 15 ASP C C 15 174.250 174.250 174.443 -0.193 19282 1669 1 3 . 1 1 15 15 ASP CA C 15 54.485 54.485 53.469 1.016 19282 1670 1 3 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.902 -1.454 19282 1671 1 3 . 1 1 16 16 LYS N N 16 118.266 118.266 117.965 0.301 19282 1672 1 3 . 1 1 16 16 LYS HA H 16 5.016 5.016 5.015 0.001 19282 1673 1 3 . 1 1 16 16 LYS C C 16 175.472 175.472 173.849 1.623 19282 1674 1 3 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.936 0.628 19282 1675 1 3 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.299 1.006 19282 1676 1 3 . 1 1 16 16 LYS H H 16 8.289 8.289 8.012 0.277 19282 1677 1 3 . 1 1 17 17 CYS N N 17 118.232 118.232 118.889 -0.657 19282 1678 1 3 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.158 0.776 19282 1679 1 3 . 1 1 17 17 CYS C C 17 174.859 174.859 173.296 1.563 19282 1680 1 3 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.461 -4.914 19282 1681 1 3 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.314 13.883 19282 1682 1 3 . 1 1 17 17 CYS H H 17 8.492 8.492 8.427 0.065 19282 1683 1 3 . 1 1 18 18 PHE N N 18 121.121 121.121 124.748 -3.627 19282 1684 1 3 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.685 0.561 19282 1685 1 3 . 1 1 18 18 PHE C C 18 174.238 174.238 174.774 -0.536 19282 1686 1 3 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.663 1.764 19282 1687 1 3 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.128 1.062 19282 1688 1 3 . 1 1 18 18 PHE H H 18 10.029 10.029 9.224 0.805 19282 1689 1 3 . 1 1 19 19 HIS N N 19 122.393 122.393 119.900 2.493 19282 1690 1 3 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.510 -0.147 19282 1691 1 3 . 1 1 19 19 HIS C C 19 172.933 172.933 172.459 0.474 19282 1692 1 3 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.585 0.497 19282 1693 1 3 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.517 -2.118 19282 1694 1 3 . 1 1 19 19 HIS H H 19 8.624 8.624 9.018 -0.394 19282 1695 1 3 . 1 1 20 20 VAL N N 20 128.351 128.351 128.530 -0.179 19282 1696 1 3 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.841 0.350 19282 1697 1 3 . 1 1 20 20 VAL C C 20 174.971 174.971 175.010 -0.039 19282 1698 1 3 . 1 1 20 20 VAL CA C 20 61.049 61.049 61.826 -0.777 19282 1699 1 3 . 1 1 20 20 VAL CB C 20 32.109 32.109 30.477 1.632 19282 1700 1 3 . 1 1 20 20 VAL H H 20 7.880 7.880 8.205 -0.325 19282 1701 1 3 . 1 1 21 21 SER N N 21 123.985 123.985 124.787 -0.802 19282 1702 1 3 . 1 1 21 21 SER HA H 21 3.904 3.904 4.061 -0.157 19282 1703 1 3 . 1 1 21 21 SER C C 21 173.842 173.842 174.302 -0.460 19282 1704 1 3 . 1 1 21 21 SER CA C 21 59.417 59.417 58.098 1.319 19282 1705 1 3 . 1 1 21 21 SER CB C 21 62.993 62.993 62.514 0.479 19282 1706 1 3 . 1 1 21 21 SER H H 21 8.802 8.802 8.337 0.465 19282 1707 1 3 . 1 1 22 22 GLN N N 22 118.390 118.390 124.682 -6.292 19282 1708 1 3 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.321 -0.048 19282 1709 1 3 . 1 1 22 22 GLN C C 22 175.650 175.650 174.739 0.911 19282 1710 1 3 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.525 0.201 19282 1711 1 3 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.634 1.408 19282 1712 1 3 . 1 1 22 22 GLN H H 22 8.866 8.866 8.549 0.317 19282 1713 1 3 . 1 1 23 23 VAL N N 23 113.258 113.258 113.319 -0.061 19282 1714 1 3 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.395 -0.081 19282 1715 1 3 . 1 1 23 23 VAL C C 23 172.691 172.691 175.184 -2.493 19282 1716 1 3 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.154 0.632 19282 1717 1 3 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.444 0.924 19282 1718 1 3 . 1 1 23 23 VAL H H 23 6.897 6.897 7.174 -0.277 19282 1719 1 3 . 1 1 24 24 SER N N 24 115.205 115.205 119.128 -3.923 19282 1720 1 3 . 1 1 24 24 SER HA H 24 4.894 4.894 5.261 -0.367 19282 1721 1 3 . 1 1 24 24 SER C C 24 173.846 173.846 173.951 -0.105 19282 1722 1 3 . 1 1 24 24 SER CA C 24 56.040 56.040 58.318 -2.278 19282 1723 1 3 . 1 1 24 24 SER CB C 24 65.361 65.361 65.575 -0.214 19282 1724 1 3 . 1 1 24 24 SER H H 24 8.125 8.125 8.389 -0.264 19282 1725 1 3 . 1 1 25 25 ASN N N 25 122.669 122.669 119.308 3.361 19282 1726 1 3 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.173 -0.085 19282 1727 1 3 . 1 1 25 25 ASN C C 25 175.285 175.285 174.047 1.238 19282 1728 1 3 . 1 1 25 25 ASN CA C 25 53.030 53.030 51.929 1.101 19282 1729 1 3 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.876 -1.341 19282 1730 1 3 . 1 1 25 25 ASN H H 25 9.854 9.854 9.551 0.303 19282 1731 1 3 . 1 1 26 26 THR N N 26 113.569 113.569 112.222 1.347 19282 1732 1 3 . 1 1 26 26 THR HA H 26 5.520 5.520 5.470 0.050 19282 1733 1 3 . 1 1 26 26 THR C C 26 174.350 174.350 175.692 -1.342 19282 1734 1 3 . 1 1 26 26 THR CA C 26 61.930 61.930 60.761 1.169 19282 1735 1 3 . 1 1 26 26 THR CB C 26 70.719 70.719 69.985 0.734 19282 1736 1 3 . 1 1 26 26 THR H H 26 9.718 9.718 8.252 1.466 19282 1737 1 3 . 1 1 27 27 TRP N N 27 121.857 121.857 123.599 -1.742 19282 1738 1 3 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.114 -0.497 19282 1739 1 3 . 1 1 27 27 TRP C C 27 177.624 177.624 177.011 0.613 19282 1740 1 3 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.251 0.400 19282 1741 1 3 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.054 1.374 19282 1742 1 3 . 1 1 27 27 TRP H H 27 7.836 7.836 8.217 -0.381 19282 1743 1 3 . 1 1 28 28 GLU N N 28 114.949 114.949 116.488 -1.539 19282 1744 1 3 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.658 0.050 19282 1745 1 3 . 1 1 28 28 GLU C C 28 178.928 178.928 178.880 0.048 19282 1746 1 3 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.265 0.324 19282 1747 1 3 . 1 1 28 28 GLU CB C 28 29.480 29.480 28.069 1.411 19282 1748 1 3 . 1 1 28 28 GLU H H 28 8.827 8.827 8.662 0.165 19282 1749 1 3 . 1 1 29 29 GLU N N 29 118.462 118.462 120.266 -1.804 19282 1750 1 3 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.896 0.030 19282 1751 1 3 . 1 1 29 29 GLU C C 29 179.587 179.587 178.711 0.876 19282 1752 1 3 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.525 0.044 19282 1753 1 3 . 1 1 29 29 GLU CB C 29 28.133 28.133 28.884 -0.751 19282 1754 1 3 . 1 1 29 29 GLU H H 29 7.259 7.259 7.852 -0.593 19282 1755 1 3 . 1 1 30 30 GLY N N 30 112.186 112.186 107.614 4.572 19282 1756 1 3 . 1 1 30 30 GLY C C 30 173.516 173.516 175.735 -2.219 19282 1757 1 3 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.934 -0.192 19282 1758 1 3 . 1 1 30 30 GLY H H 30 7.871 7.871 7.808 0.063 19282 1759 1 3 . 1 1 31 31 LEU N N 31 122.216 122.216 123.120 -0.904 19282 1760 1 3 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.766 -0.421 19282 1761 1 3 . 1 1 31 31 LEU C C 31 179.828 179.828 178.284 1.544 19282 1762 1 3 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.579 1.376 19282 1763 1 3 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.069 0.405 19282 1764 1 3 . 1 1 31 31 LEU H H 31 7.610 7.610 7.527 0.083 19282 1765 1 3 . 1 1 32 32 VAL N N 32 118.301 118.301 118.692 -0.391 19282 1766 1 3 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.442 0.209 19282 1767 1 3 . 1 1 32 32 VAL C C 32 179.041 179.041 178.032 1.009 19282 1768 1 3 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.532 -0.665 19282 1769 1 3 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.331 0.645 19282 1770 1 3 . 1 1 32 32 VAL H H 32 7.571 7.571 7.639 -0.068 19282 1771 1 3 . 1 1 33 33 ASP N N 33 123.085 123.085 120.826 2.259 19282 1772 1 3 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.408 -0.031 19282 1773 1 3 . 1 1 33 33 ASP C C 33 179.766 179.766 178.682 1.084 19282 1774 1 3 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.192 -0.055 19282 1775 1 3 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.837 2.598 19282 1776 1 3 . 1 1 33 33 ASP H H 33 7.924 7.924 8.186 -0.262 19282 1777 1 3 . 1 1 34 34 CYS N N 34 115.181 115.181 117.897 -2.716 19282 1778 1 3 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.521 -0.017 19282 1779 1 3 . 1 1 34 34 CYS C C 34 177.697 177.697 177.707 -0.010 19282 1780 1 3 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.368 -5.298 19282 1781 1 3 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.390 8.031 19282 1782 1 3 . 1 1 34 34 CYS H H 34 8.486 8.486 8.083 0.403 19282 1783 1 3 . 1 1 35 35 ASP N N 35 123.300 123.300 121.620 1.680 19282 1784 1 3 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.713 0.041 19282 1785 1 3 . 1 1 35 35 ASP C C 35 180.457 180.457 179.281 1.176 19282 1786 1 3 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.850 0.420 19282 1787 1 3 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.404 1.739 19282 1788 1 3 . 1 1 35 35 ASP H H 35 8.458 8.458 8.396 0.062 19282 1789 1 3 . 1 1 36 36 GLY N N 36 107.140 107.140 107.732 -0.592 19282 1790 1 3 . 1 1 36 36 GLY C C 36 175.345 175.345 175.378 -0.033 19282 1791 1 3 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.788 0.088 19282 1792 1 3 . 1 1 36 36 GLY H H 36 8.281 8.281 8.170 0.111 19282 1793 1 3 . 1 1 37 37 LYS N N 37 119.450 119.450 120.068 -0.618 19282 1794 1 3 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.504 0.042 19282 1795 1 3 . 1 1 37 37 LYS C C 37 176.415 176.415 176.081 0.334 19282 1796 1 3 . 1 1 37 37 LYS CA C 37 55.830 55.830 55.094 0.736 19282 1797 1 3 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.515 1.239 19282 1798 1 3 . 1 1 37 37 LYS H H 37 7.587 7.587 7.733 -0.146 19282 1799 1 3 . 1 1 38 38 GLY N N 38 109.781 109.781 107.390 2.391 19282 1800 1 3 . 1 1 38 38 GLY C C 38 174.144 174.144 173.491 0.653 19282 1801 1 3 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.419 1.372 19282 1802 1 3 . 1 1 38 38 GLY H H 38 8.205 8.205 8.107 0.098 19282 1803 1 3 . 1 1 39 39 ALA N N 39 123.317 123.317 121.986 1.331 19282 1804 1 3 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.414 -0.298 19282 1805 1 3 . 1 1 39 39 ALA C C 39 174.817 174.817 175.432 -0.615 19282 1806 1 3 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.907 -0.733 19282 1807 1 3 . 1 1 39 39 ALA CB C 39 24.153 24.153 22.163 1.990 19282 1808 1 3 . 1 1 39 39 ALA H H 39 8.107 8.107 7.710 0.397 19282 1809 1 3 . 1 1 40 40 THR N N 40 108.747 108.747 110.288 -1.541 19282 1810 1 3 . 1 1 40 40 THR HA H 40 5.080 5.080 4.780 0.300 19282 1811 1 3 . 1 1 40 40 THR C C 40 175.723 175.723 173.864 1.859 19282 1812 1 3 . 1 1 40 40 THR CA C 40 60.173 60.173 59.556 0.617 19282 1813 1 3 . 1 1 40 40 THR CB C 40 72.452 72.452 71.576 0.876 19282 1814 1 3 . 1 1 40 40 THR H H 40 8.566 8.566 8.969 -0.403 19282 1815 1 3 . 1 1 41 41 LEU N N 41 123.750 123.750 123.296 0.454 19282 1816 1 3 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.631 0.423 19282 1817 1 3 . 1 1 41 41 LEU C C 41 177.800 177.800 177.088 0.712 19282 1818 1 3 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.244 1.432 19282 1819 1 3 . 1 1 41 41 LEU CB C 41 44.624 44.624 43.321 1.303 19282 1820 1 3 . 1 1 41 41 LEU H H 41 7.791 7.791 8.652 -0.861 19282 1821 1 3 . 1 1 42 42 MET N N 42 116.452 116.452 127.254 -10.802 19282 1822 1 3 . 1 1 42 42 MET HA H 42 4.098 4.098 4.351 -0.253 19282 1823 1 3 . 1 1 42 42 MET C C 42 174.097 174.097 174.528 -0.431 19282 1824 1 3 . 1 1 42 42 MET CA C 42 57.887 57.887 55.932 1.955 19282 1825 1 3 . 1 1 42 42 MET CB C 42 34.299 34.299 32.068 2.232 19282 1826 1 3 . 1 1 42 42 MET H H 42 7.983 7.983 9.081 -1.098 19282 1827 1 3 . 1 1 43 43 LEU N N 43 128.106 128.106 129.157 -1.051 19282 1828 1 3 . 1 1 43 43 LEU HA H 43 4.517 4.517 4.164 0.353 19282 1829 1 3 . 1 1 43 43 LEU C C 43 174.928 174.928 174.791 0.137 19282 1830 1 3 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.395 1.138 19282 1831 1 3 . 1 1 43 43 LEU CB C 43 42.828 42.828 40.999 1.829 19282 1832 1 3 . 1 1 43 43 LEU H H 43 8.078 8.078 8.740 -0.662 19282 1833 1 3 . 1 1 44 44 ILE N N 44 118.686 118.686 123.282 -4.596 19282 1834 1 3 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.836 0.366 19282 1835 1 3 . 1 1 44 44 ILE C C 44 175.736 175.736 176.133 -0.397 19282 1836 1 3 . 1 1 44 44 ILE CA C 44 61.051 61.051 62.553 -1.502 19282 1837 1 3 . 1 1 44 44 ILE CB C 44 38.168 38.168 37.688 0.480 19282 1838 1 3 . 1 1 44 44 ILE H H 44 5.273 5.273 7.882 -2.609 19282 1839 1 3 . 1 1 45 45 GLN N N 45 127.754 127.754 126.688 1.066 19282 1840 1 3 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.205 -0.026 19282 1841 1 3 . 1 1 45 45 GLN C C 45 175.402 175.402 175.619 -0.217 19282 1842 1 3 . 1 1 45 45 GLN CA C 45 57.103 57.103 57.083 0.020 19282 1843 1 3 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.541 0.292 19282 1844 1 3 . 1 1 45 45 GLN H H 45 9.722 9.722 8.581 1.141 19282 1845 1 3 . 1 1 46 46 ASP N N 46 114.490 114.490 115.958 -1.468 19282 1846 1 3 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.747 -0.103 19282 1847 1 3 . 1 1 46 46 ASP C C 46 175.286 175.286 175.372 -0.086 19282 1848 1 3 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.005 0.251 19282 1849 1 3 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.441 0.311 19282 1850 1 3 . 1 1 46 46 ASP H H 46 7.545 7.545 7.653 -0.108 19282 1851 1 3 . 1 1 47 47 GLN N N 47 118.745 118.745 119.921 -1.176 19282 1852 1 3 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.221 -0.218 19282 1853 1 3 . 1 1 47 47 GLN C C 47 177.858 177.858 177.793 0.065 19282 1854 1 3 . 1 1 47 47 GLN CA C 47 58.995 58.995 59.174 -0.179 19282 1855 1 3 . 1 1 47 47 GLN CB C 47 28.468 28.468 29.264 -0.796 19282 1856 1 3 . 1 1 47 47 GLN H H 47 8.954 8.954 8.797 0.157 19282 1857 1 3 . 1 1 48 48 GLU N N 48 121.721 121.721 119.826 1.895 19282 1858 1 3 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.068 0.014 19282 1859 1 3 . 1 1 48 48 GLU C C 48 179.073 179.073 178.867 0.206 19282 1860 1 3 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.419 0.532 19282 1861 1 3 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.338 -0.591 19282 1862 1 3 . 1 1 48 48 GLU H H 48 8.532 8.532 8.673 -0.141 19282 1863 1 3 . 1 1 49 49 GLU N N 49 120.709 120.709 119.843 0.866 19282 1864 1 3 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.223 -0.447 19282 1865 1 3 . 1 1 49 49 GLU C C 49 177.707 177.707 178.732 -1.025 19282 1866 1 3 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.829 -0.000 19282 1867 1 3 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.445 1.182 19282 1868 1 3 . 1 1 49 49 GLU H H 49 8.336 8.336 8.108 0.228 19282 1869 1 3 . 1 1 50 50 LEU N N 50 118.070 118.070 118.674 -0.604 19282 1870 1 3 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.957 -0.020 19282 1871 1 3 . 1 1 50 50 LEU C C 50 177.342 177.342 178.853 -1.511 19282 1872 1 3 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.844 0.431 19282 1873 1 3 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.462 0.243 19282 1874 1 3 . 1 1 50 50 LEU H H 50 7.175 7.175 7.473 -0.298 19282 1875 1 3 . 1 1 51 51 ARG N N 51 117.898 117.898 119.290 -1.392 19282 1876 1 3 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.027 -0.220 19282 1877 1 3 . 1 1 51 51 ARG C C 51 177.876 177.876 178.680 -0.804 19282 1878 1 3 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.327 1.046 19282 1879 1 3 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.416 0.512 19282 1880 1 3 . 1 1 51 51 ARG H H 51 8.135 8.135 8.121 0.014 19282 1881 1 3 . 1 1 52 52 PHE N N 52 118.865 118.865 121.599 -2.734 19282 1882 1 3 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.216 -0.088 19282 1883 1 3 . 1 1 52 52 PHE C C 52 178.379 178.379 177.438 0.941 19282 1884 1 3 . 1 1 52 52 PHE CA C 52 61.280 61.280 61.173 0.107 19282 1885 1 3 . 1 1 52 52 PHE CB C 52 38.514 38.514 38.971 -0.457 19282 1886 1 3 . 1 1 52 52 PHE H H 52 8.003 8.003 8.210 -0.207 19282 1887 1 3 . 1 1 53 53 LEU N N 53 122.451 122.451 122.138 0.313 19282 1888 1 3 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.873 -0.469 19282 1889 1 3 . 1 1 53 53 LEU C C 53 178.870 178.870 179.052 -0.182 19282 1890 1 3 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.794 -0.498 19282 1891 1 3 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.754 0.577 19282 1892 1 3 . 1 1 53 53 LEU H H 53 7.824 7.824 8.260 -0.436 19282 1893 1 3 . 1 1 54 54 LEU N N 54 117.828 117.828 119.048 -1.220 19282 1894 1 3 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.738 0.049 19282 1895 1 3 . 1 1 54 54 LEU C C 54 179.783 179.783 179.468 0.315 19282 1896 1 3 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.165 -0.232 19282 1897 1 3 . 1 1 54 54 LEU CB C 54 40.931 40.931 41.054 -0.123 19282 1898 1 3 . 1 1 54 54 LEU H H 54 8.361 8.361 8.552 -0.191 19282 1899 1 3 . 1 1 55 55 ASP N N 55 116.846 116.846 117.795 -0.949 19282 1900 1 3 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.248 0.129 19282 1901 1 3 . 1 1 55 55 ASP C C 55 177.824 177.824 178.003 -0.179 19282 1902 1 3 . 1 1 55 55 ASP CA C 55 56.232 56.232 57.356 -1.125 19282 1903 1 3 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.718 0.115 19282 1904 1 3 . 1 1 55 55 ASP H H 55 7.933 7.933 7.669 0.264 19282 1905 1 3 . 1 1 56 56 SER N N 56 114.399 114.399 114.954 -0.555 19282 1906 1 3 . 1 1 56 56 SER HA H 56 4.122 4.122 4.103 0.019 19282 1907 1 3 . 1 1 56 56 SER C C 56 174.277 174.277 176.186 -1.909 19282 1908 1 3 . 1 1 56 56 SER CA C 56 60.677 60.677 60.472 0.205 19282 1909 1 3 . 1 1 56 56 SER CB C 56 63.675 63.675 63.513 0.162 19282 1910 1 3 . 1 1 56 56 SER H H 56 7.441 7.441 7.443 -0.002 19282 1911 1 3 . 1 1 57 57 ILE N N 57 121.159 121.159 122.008 -0.849 19282 1912 1 3 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.569 0.228 19282 1913 1 3 . 1 1 57 57 ILE C C 57 175.873 175.873 177.228 -1.355 19282 1914 1 3 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.691 -0.880 19282 1915 1 3 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.355 1.211 19282 1916 1 3 . 1 1 57 57 ILE H H 57 7.378 7.378 8.343 -0.965 19282 1917 1 3 . 1 1 58 58 LYS N N 58 124.292 124.292 117.504 6.788 19282 1918 1 3 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.729 0.435 19282 1919 1 3 . 1 1 58 58 LYS C C 58 177.266 177.266 176.725 0.541 19282 1920 1 3 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.853 -1.530 19282 1921 1 3 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.259 2.031 19282 1922 1 3 . 1 1 58 58 LYS H H 58 8.218 8.218 7.585 0.633 19282 1923 1 3 . 1 1 59 59 GLU N N 59 119.807 119.807 118.901 0.906 19282 1924 1 3 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.048 0.303 19282 1925 1 3 . 1 1 59 59 GLU C C 59 176.023 176.023 178.229 -2.206 19282 1926 1 3 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.188 -2.273 19282 1927 1 3 . 1 1 59 59 GLU CB C 59 28.831 28.831 30.174 -1.343 19282 1928 1 3 . 1 1 59 59 GLU H H 59 7.761 7.761 8.243 -0.482 19282 1929 1 3 . 1 1 60 60 LYS N N 60 120.606 120.606 114.809 5.797 19282 1930 1 3 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.954 0.203 19282 1931 1 3 . 1 1 60 60 LYS C C 60 176.229 176.229 175.966 0.263 19282 1932 1 3 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.259 -1.251 19282 1933 1 3 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.959 1.472 19282 1934 1 3 . 1 1 60 60 LYS H H 60 8.051 8.051 8.596 -0.545 19282 1935 1 3 . 1 1 61 61 TYR N N 61 115.876 115.876 118.401 -2.525 19282 1936 1 3 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.566 0.028 19282 1937 1 3 . 1 1 61 61 TYR C C 61 175.714 175.714 175.806 -0.092 19282 1938 1 3 . 1 1 61 61 TYR CA C 61 57.110 57.110 57.535 -0.425 19282 1939 1 3 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.025 0.474 19282 1940 1 3 . 1 1 61 61 TYR H H 61 7.756 7.756 7.470 0.286 19282 1941 1 3 . 1 1 62 62 ASN N N 62 118.634 118.634 117.096 1.538 19282 1942 1 3 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.672 0.058 19282 1943 1 3 . 1 1 62 62 ASN C C 62 173.016 173.016 173.370 -0.354 19282 1944 1 3 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.676 0.978 19282 1945 1 3 . 1 1 62 62 ASN CB C 62 41.378 41.378 40.941 0.437 19282 1946 1 3 . 1 1 62 62 ASN H H 62 7.477 7.477 7.621 -0.144 19282 1947 1 3 . 1 1 63 63 SER N N 63 115.211 115.211 114.541 0.670 19282 1948 1 3 . 1 1 63 63 SER HA H 63 5.256 5.256 5.301 -0.045 19282 1949 1 3 . 1 1 63 63 SER C C 63 172.817 172.817 172.553 0.264 19282 1950 1 3 . 1 1 63 63 SER CA C 63 57.506 57.506 57.466 0.040 19282 1951 1 3 . 1 1 63 63 SER CB C 63 63.821 63.821 65.695 -1.874 19282 1952 1 3 . 1 1 63 63 SER H H 63 8.107 8.107 7.784 0.323 19282 1953 1 3 . 1 1 64 64 PHE N N 64 118.959 118.959 121.855 -2.896 19282 1954 1 3 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.028 -0.440 19282 1955 1 3 . 1 1 64 64 PHE C C 64 175.495 175.495 175.430 0.065 19282 1956 1 3 . 1 1 64 64 PHE CA C 64 55.442 55.442 56.137 -0.695 19282 1957 1 3 . 1 1 64 64 PHE CB C 64 42.226 42.226 41.435 0.791 19282 1958 1 3 . 1 1 64 64 PHE H H 64 8.735 8.735 8.673 0.062 19282 1959 1 3 . 1 1 65 65 TRP N N 65 124.651 124.651 125.092 -0.441 19282 1960 1 3 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.997 0.746 19282 1961 1 3 . 1 1 65 65 TRP C C 65 175.951 175.951 176.656 -0.705 19282 1962 1 3 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.281 -0.203 19282 1963 1 3 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.096 2.580 19282 1964 1 3 . 1 1 65 65 TRP H H 65 10.282 10.282 9.161 1.121 19282 1965 1 3 . 1 1 66 66 ILE N N 66 109.430 109.430 116.241 -6.811 19282 1966 1 3 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.110 0.164 19282 1967 1 3 . 1 1 66 66 ILE C C 66 177.380 177.380 177.259 0.121 19282 1968 1 3 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.143 1.455 19282 1969 1 3 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.821 0.944 19282 1970 1 3 . 1 1 66 66 ILE H H 66 8.443 8.443 8.783 -0.340 19282 1971 1 3 . 1 1 67 67 GLY N N 67 111.319 111.319 110.152 1.167 19282 1972 1 3 . 1 1 67 67 GLY C C 67 172.897 172.897 173.401 -0.504 19282 1973 1 3 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.889 4.106 19282 1974 1 3 . 1 1 67 67 GLY H H 67 10.395 10.395 9.356 1.039 19282 1975 1 3 . 1 1 68 68 LEU N N 68 127.499 127.499 122.402 5.097 19282 1976 1 3 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.535 0.349 19282 1977 1 3 . 1 1 68 68 LEU C C 68 173.367 173.367 175.509 -2.142 19282 1978 1 3 . 1 1 68 68 LEU CA C 68 54.637 54.637 53.894 0.743 19282 1979 1 3 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.836 3.245 19282 1980 1 3 . 1 1 68 68 LEU H H 68 8.446 8.446 8.284 0.162 19282 1981 1 3 . 1 1 69 69 ARG N N 69 124.432 124.432 122.594 1.838 19282 1982 1 3 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.729 0.181 19282 1983 1 3 . 1 1 69 69 ARG C C 69 173.026 173.026 174.416 -1.390 19282 1984 1 3 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.689 1.789 19282 1985 1 3 . 1 1 69 69 ARG CB C 69 34.344 34.344 32.806 1.538 19282 1986 1 3 . 1 1 69 69 ARG H H 69 8.479 8.479 8.844 -0.365 19282 1987 1 3 . 1 1 70 70 TYR N N 70 128.687 128.687 128.422 0.265 19282 1988 1 3 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.757 0.119 19282 1989 1 3 . 1 1 70 70 TYR C C 70 175.118 175.118 173.843 1.275 19282 1990 1 3 . 1 1 70 70 TYR CA C 70 57.747 57.747 55.995 1.752 19282 1991 1 3 . 1 1 70 70 TYR CB C 70 38.231 38.231 37.799 0.432 19282 1992 1 3 . 1 1 70 70 TYR H H 70 7.936 7.936 8.359 -0.423 19282 1993 1 3 . 1 1 71 71 THR N N 71 120.097 120.097 122.873 -2.776 19282 1994 1 3 . 1 1 71 71 THR HA H 71 4.477 4.477 4.321 0.156 19282 1995 1 3 . 1 1 71 71 THR C C 71 172.547 172.547 173.038 -0.491 19282 1996 1 3 . 1 1 71 71 THR CA C 71 60.631 60.631 60.869 -0.238 19282 1997 1 3 . 1 1 71 71 THR CB C 71 71.324 71.324 69.294 2.030 19282 1998 1 3 . 1 1 71 71 THR H H 71 7.701 7.701 7.597 0.104 19282 1999 1 3 . 1 1 72 72 LEU N N 72 125.241 125.241 126.024 -0.783 19282 2000 1 3 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.682 -0.416 19282 2001 1 3 . 1 1 72 72 LEU C C 72 175.916 175.916 175.071 0.845 19282 2002 1 3 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.747 1.127 19282 2003 1 3 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.168 -1.348 19282 2004 1 3 . 1 1 72 72 LEU H H 72 8.487 8.487 8.311 0.176 19282 2005 1 3 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.662 -0.253 19282 2006 1 3 . 1 1 73 73 PRO C C 73 176.278 176.278 175.381 0.897 19282 2007 1 3 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.514 1.035 19282 2008 1 3 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.829 1.307 19282 2009 1 3 . 1 1 74 74 ASP N N 74 123.018 123.018 120.888 2.130 19282 2010 1 3 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.485 -0.328 19282 2011 1 3 . 1 1 74 74 ASP C C 74 175.592 175.592 175.633 -0.041 19282 2012 1 3 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.347 2.181 19282 2013 1 3 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.558 -1.870 19282 2014 1 3 . 1 1 74 74 ASP H H 74 8.716 8.716 8.233 0.483 19282 2015 1 3 . 1 1 75 75 MET N N 75 113.361 113.361 115.591 -2.230 19282 2016 1 3 . 1 1 75 75 MET HA H 75 3.319 3.319 4.057 -0.738 19282 2017 1 3 . 1 1 75 75 MET C C 75 174.354 174.354 173.706 0.648 19282 2018 1 3 . 1 1 75 75 MET CA C 75 56.042 56.042 56.474 -0.432 19282 2019 1 3 . 1 1 75 75 MET CB C 75 29.181 29.181 30.047 -0.866 19282 2020 1 3 . 1 1 75 75 MET H H 75 8.421 8.421 7.735 0.686 19282 2021 1 3 . 1 1 76 76 ASN N N 76 112.997 112.997 113.824 -0.827 19282 2022 1 3 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.191 -0.383 19282 2023 1 3 . 1 1 76 76 ASN C C 76 173.984 173.984 173.787 0.197 19282 2024 1 3 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.157 -0.874 19282 2025 1 3 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.897 -1.074 19282 2026 1 3 . 1 1 76 76 ASN H H 76 6.883 6.883 7.491 -0.608 19282 2027 1 3 . 1 1 77 77 TRP N N 77 122.857 122.857 122.259 0.598 19282 2028 1 3 . 1 1 77 77 TRP HA H 77 4.534 4.534 4.861 -0.327 19282 2029 1 3 . 1 1 77 77 TRP C C 77 175.329 175.329 175.779 -0.450 19282 2030 1 3 . 1 1 77 77 TRP CA C 77 57.615 57.615 57.307 0.308 19282 2031 1 3 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.327 0.790 19282 2032 1 3 . 1 1 77 77 TRP H H 77 8.766 8.766 9.135 -0.369 19282 2033 1 3 . 1 1 78 78 LYS N N 78 121.731 121.731 121.935 -0.204 19282 2034 1 3 . 1 1 78 78 LYS HA H 78 4.969 4.969 5.045 -0.076 19282 2035 1 3 . 1 1 78 78 LYS C C 78 177.225 177.225 175.761 1.464 19282 2036 1 3 . 1 1 78 78 LYS CA C 78 55.149 55.149 55.074 0.075 19282 2037 1 3 . 1 1 78 78 LYS CB C 78 36.697 36.697 35.792 0.905 19282 2038 1 3 . 1 1 78 78 LYS H H 78 8.584 8.584 8.233 0.351 19282 2039 1 3 . 1 1 79 79 TRP N N 79 124.809 124.809 120.813 3.996 19282 2040 1 3 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.888 -0.211 19282 2041 1 3 . 1 1 79 79 TRP C C 79 180.969 180.969 179.315 1.654 19282 2042 1 3 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.065 0.628 19282 2043 1 3 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.873 1.071 19282 2044 1 3 . 1 1 79 79 TRP H H 79 9.045 9.045 9.124 -0.079 19282 2045 1 3 . 1 1 80 80 ILE N N 80 114.947 114.947 120.208 -5.261 19282 2046 1 3 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.767 0.588 19282 2047 1 3 . 1 1 80 80 ILE C C 80 175.690 175.690 176.268 -0.578 19282 2048 1 3 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.577 -0.795 19282 2049 1 3 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.582 0.702 19282 2050 1 3 . 1 1 80 80 ILE H H 80 8.493 8.493 8.565 -0.072 19282 2051 1 3 . 1 1 81 81 ASN N N 81 116.185 116.185 117.694 -1.509 19282 2052 1 3 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.702 0.190 19282 2053 1 3 . 1 1 81 81 ASN C C 81 176.344 176.344 176.177 0.167 19282 2054 1 3 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.692 0.095 19282 2055 1 3 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.224 -0.446 19282 2056 1 3 . 1 1 81 81 ASN H H 81 7.370 7.370 8.075 -0.705 19282 2057 1 3 . 1 1 82 82 GLY N N 82 108.864 108.864 108.324 0.540 19282 2058 1 3 . 1 1 82 82 GLY C C 82 174.321 174.321 173.988 0.333 19282 2059 1 3 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.008 0.298 19282 2060 1 3 . 1 1 82 82 GLY H H 82 8.621 8.621 8.344 0.277 19282 2061 1 3 . 1 1 83 83 SER N N 83 116.447 116.447 117.380 -0.933 19282 2062 1 3 . 1 1 83 83 SER HA H 83 4.688 4.688 5.289 -0.601 19282 2063 1 3 . 1 1 83 83 SER C C 83 174.042 174.042 174.342 -0.300 19282 2064 1 3 . 1 1 83 83 SER CA C 83 58.822 58.822 59.099 -0.277 19282 2065 1 3 . 1 1 83 83 SER CB C 83 64.512 64.512 64.509 0.003 19282 2066 1 3 . 1 1 83 83 SER H H 83 7.894 7.894 8.188 -0.294 19282 2067 1 3 . 1 1 84 84 THR N N 84 117.358 117.358 118.794 -1.436 19282 2068 1 3 . 1 1 84 84 THR HA H 84 4.628 4.628 4.999 -0.371 19282 2069 1 3 . 1 1 84 84 THR C C 84 174.906 174.906 174.322 0.584 19282 2070 1 3 . 1 1 84 84 THR CA C 84 62.727 62.727 62.092 0.635 19282 2071 1 3 . 1 1 84 84 THR CB C 84 70.047 70.047 71.414 -1.367 19282 2072 1 3 . 1 1 84 84 THR H H 84 8.710 8.710 8.303 0.407 19282 2073 1 3 . 1 1 85 85 LEU N N 85 125.457 125.457 127.443 -1.986 19282 2074 1 3 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.936 -0.517 19282 2075 1 3 . 1 1 85 85 LEU C C 85 175.973 175.973 176.200 -0.227 19282 2076 1 3 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.253 0.915 19282 2077 1 3 . 1 1 85 85 LEU CB C 85 43.460 43.460 43.623 -0.164 19282 2078 1 3 . 1 1 85 85 LEU H H 85 8.244 8.244 8.465 -0.221 19282 2079 1 3 . 1 1 86 86 ASN N N 86 126.729 126.729 124.112 2.617 19282 2080 1 3 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.844 0.218 19282 2081 1 3 . 1 1 86 86 ASN C C 86 176.112 176.112 175.657 0.455 19282 2082 1 3 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.756 -0.513 19282 2083 1 3 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.397 0.234 19282 2084 1 3 . 1 1 86 86 ASN H H 86 9.042 9.042 8.866 0.176 19282 2085 1 3 . 1 1 87 87 SER N N 87 120.386 120.386 120.571 -0.185 19282 2086 1 3 . 1 1 87 87 SER HA H 87 4.606 4.606 4.136 0.470 19282 2087 1 3 . 1 1 87 87 SER C C 87 174.673 174.673 174.703 -0.030 19282 2088 1 3 . 1 1 87 87 SER CA C 87 59.908 59.908 60.765 -0.857 19282 2089 1 3 . 1 1 87 87 SER CB C 87 63.602 63.602 63.235 0.367 19282 2090 1 3 . 1 1 87 87 SER H H 87 8.724 8.724 8.602 0.122 19282 2091 1 3 . 1 1 88 88 ASP N N 88 120.189 120.189 119.134 1.055 19282 2092 1 3 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.576 0.001 19282 2093 1 3 . 1 1 88 88 ASP C C 88 177.211 177.211 177.317 -0.106 19282 2094 1 3 . 1 1 88 88 ASP CA C 88 55.987 55.987 55.841 0.146 19282 2095 1 3 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.574 0.066 19282 2096 1 3 . 1 1 88 88 ASP H H 88 8.464 8.464 8.344 0.120 19282 2097 1 3 . 1 1 89 89 VAL N N 89 118.259 118.259 115.985 2.274 19282 2098 1 3 . 1 1 89 89 VAL HA H 89 3.987 3.987 3.912 0.075 19282 2099 1 3 . 1 1 89 89 VAL C C 89 175.071 175.071 175.311 -0.240 19282 2100 1 3 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.447 -0.013 19282 2101 1 3 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.464 0.499 19282 2102 1 3 . 1 1 89 89 VAL H H 89 7.783 7.783 7.489 0.294 19282 2103 1 3 . 1 1 90 90 LEU N N 90 118.198 118.198 114.896 3.302 19282 2104 1 3 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.592 -0.112 19282 2105 1 3 . 1 1 90 90 LEU C C 90 173.881 173.881 174.947 -1.066 19282 2106 1 3 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.697 1.669 19282 2107 1 3 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.721 -1.455 19282 2108 1 3 . 1 1 90 90 LEU H H 90 7.537 7.537 7.387 0.150 19282 2109 1 3 . 1 1 91 91 LYS N N 91 122.032 122.032 121.179 0.853 19282 2110 1 3 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.179 0.254 19282 2111 1 3 . 1 1 91 91 LYS C C 91 175.565 175.565 175.070 0.495 19282 2112 1 3 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.069 -1.894 19282 2113 1 3 . 1 1 91 91 LYS CB C 91 33.177 33.177 30.903 2.274 19282 2114 1 3 . 1 1 91 91 LYS H H 91 8.121 8.121 8.384 -0.263 19282 2115 1 3 . 1 1 92 92 ILE N N 92 123.168 123.168 125.038 -1.870 19282 2116 1 3 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.301 -0.034 19282 2117 1 3 . 1 1 92 92 ILE C C 92 176.136 176.136 174.895 1.241 19282 2118 1 3 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.758 0.440 19282 2119 1 3 . 1 1 92 92 ILE CB C 92 39.028 39.028 39.762 -0.734 19282 2120 1 3 . 1 1 92 92 ILE H H 92 8.086 8.086 7.793 0.293 19282 2121 1 3 . 1 1 93 93 THR N N 93 119.647 119.647 120.772 -1.125 19282 2122 1 3 . 1 1 93 93 THR HA H 93 4.487 4.487 4.223 0.264 19282 2123 1 3 . 1 1 93 93 THR C C 93 173.748 173.748 175.507 -1.759 19282 2124 1 3 . 1 1 93 93 THR CA C 93 61.605 61.605 62.922 -1.317 19282 2125 1 3 . 1 1 93 93 THR CB C 93 70.404 70.404 69.805 0.599 19282 2126 1 3 . 1 1 93 93 THR H H 93 8.238 8.238 8.225 0.013 19282 2127 1 3 . 1 1 94 94 GLY N N 94 111.397 111.397 112.029 -0.632 19282 2128 1 3 . 1 1 94 94 GLY C C 94 172.757 172.757 173.374 -0.617 19282 2129 1 3 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.154 -0.440 19282 2130 1 3 . 1 1 94 94 GLY H H 94 8.133 8.133 8.361 -0.228 19282 2131 1 3 . 1 1 95 95 ASP N N 95 119.905 119.905 117.796 2.109 19282 2132 1 3 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.587 0.156 19282 2133 1 3 . 1 1 95 95 ASP C C 95 175.600 175.600 175.250 0.350 19282 2134 1 3 . 1 1 95 95 ASP CA C 95 54.183 54.183 52.906 1.277 19282 2135 1 3 . 1 1 95 95 ASP CB C 95 41.877 41.877 42.513 -0.636 19282 2136 1 3 . 1 1 95 95 ASP H H 95 8.285 8.285 7.110 1.175 19282 2137 1 3 . 1 1 96 96 THR N N 96 115.409 115.409 118.233 -2.824 19282 2138 1 3 . 1 1 96 96 THR HA H 96 4.136 4.136 4.447 -0.311 19282 2139 1 3 . 1 1 96 96 THR C C 96 173.508 173.508 174.291 -0.783 19282 2140 1 3 . 1 1 96 96 THR CA C 96 61.369 61.369 61.208 0.161 19282 2141 1 3 . 1 1 96 96 THR CB C 96 69.775 69.775 69.791 -0.016 19282 2142 1 3 . 1 1 96 96 THR H H 96 7.936 7.936 8.233 -0.297 19282 2143 1 3 . 1 1 97 97 GLU N N 97 123.162 123.162 118.896 4.266 19282 2144 1 3 . 1 1 97 97 GLU HA H 97 4.224 4.224 3.976 0.248 19282 2145 1 3 . 1 1 97 97 GLU C C 97 175.455 175.455 175.228 0.227 19282 2146 1 3 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.990 -1.828 19282 2147 1 3 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.387 3.301 19282 2148 1 3 . 1 1 97 97 GLU H H 97 8.186 8.186 8.945 -0.759 19282 2149 1 3 . 1 1 98 98 ASN N N 98 117.342 117.342 116.273 1.069 19282 2150 1 3 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.863 -0.342 19282 2151 1 3 . 1 1 98 98 ASN C C 98 174.251 174.251 173.968 0.283 19282 2152 1 3 . 1 1 98 98 ASN CA C 98 53.449 53.449 51.513 1.936 19282 2153 1 3 . 1 1 98 98 ASN CB C 98 40.229 40.229 40.920 -0.691 19282 2154 1 3 . 1 1 98 98 ASN H H 98 7.997 7.997 8.106 -0.109 19282 2155 1 3 . 1 1 99 99 ASP N N 99 120.235 120.235 119.388 0.847 19282 2156 1 3 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.762 -0.169 19282 2157 1 3 . 1 1 99 99 ASP C C 99 176.261 176.261 175.643 0.618 19282 2158 1 3 . 1 1 99 99 ASP CA C 99 55.138 55.138 52.859 2.279 19282 2159 1 3 . 1 1 99 99 ASP CB C 99 40.395 40.395 41.092 -0.697 19282 2160 1 3 . 1 1 99 99 ASP H H 99 8.365 8.365 8.456 -0.091 19282 2161 1 3 . 1 1 100 100 SER N N 100 116.248 116.248 115.530 0.718 19282 2162 1 3 . 1 1 100 100 SER HA H 100 4.990 4.990 4.487 0.503 19282 2163 1 3 . 1 1 100 100 SER C C 100 172.411 172.411 173.861 -1.450 19282 2164 1 3 . 1 1 100 100 SER CA C 100 59.212 59.212 58.173 1.039 19282 2165 1 3 . 1 1 100 100 SER CB C 100 66.127 66.127 64.458 1.669 19282 2166 1 3 . 1 1 100 100 SER H H 100 7.862 7.862 7.586 0.276 19282 2167 1 3 . 1 1 101 101 CYS N N 101 121.559 121.559 119.372 2.187 19282 2168 1 3 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.491 -0.435 19282 2169 1 3 . 1 1 101 101 CYS C C 101 172.356 172.356 173.961 -1.605 19282 2170 1 3 . 1 1 101 101 CYS CA C 101 59.446 59.446 54.660 4.786 19282 2171 1 3 . 1 1 101 101 CYS CB C 101 45.631 45.631 29.780 15.851 19282 2172 1 3 . 1 1 101 101 CYS H H 101 9.231 9.231 8.700 0.531 19282 2173 1 3 . 1 1 102 102 ALA N N 102 124.390 124.390 123.247 1.143 19282 2174 1 3 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.569 -0.189 19282 2175 1 3 . 1 1 102 102 ALA C C 102 175.442 175.442 175.735 -0.293 19282 2176 1 3 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.205 1.422 19282 2177 1 3 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.708 0.263 19282 2178 1 3 . 1 1 102 102 ALA H H 102 8.393 8.393 8.529 -0.136 19282 2179 1 3 . 1 1 103 103 ALA N N 103 120.824 120.824 122.358 -1.534 19282 2180 1 3 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.492 -0.001 19282 2181 1 3 . 1 1 103 103 ALA C C 103 176.664 176.664 175.522 1.142 19282 2182 1 3 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.071 0.312 19282 2183 1 3 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.672 0.340 19282 2184 1 3 . 1 1 103 103 ALA H H 103 8.859 8.859 9.235 -0.376 19282 2185 1 3 . 1 1 104 104 ILE N N 104 119.488 119.488 120.718 -1.230 19282 2186 1 3 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.466 0.152 19282 2187 1 3 . 1 1 104 104 ILE C C 104 175.968 175.968 175.750 0.218 19282 2188 1 3 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.862 0.259 19282 2189 1 3 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.272 3.021 19282 2190 1 3 . 1 1 104 104 ILE H H 104 9.301 9.301 8.799 0.502 19282 2191 1 3 . 1 1 105 105 SER N N 105 121.988 121.988 121.706 0.282 19282 2192 1 3 . 1 1 105 105 SER HA H 105 4.793 4.793 5.259 -0.466 19282 2193 1 3 . 1 1 105 105 SER C C 105 175.288 175.288 173.818 1.470 19282 2194 1 3 . 1 1 105 105 SER CA C 105 56.729 56.729 56.504 0.225 19282 2195 1 3 . 1 1 105 105 SER CB C 105 64.136 64.136 63.945 0.191 19282 2196 1 3 . 1 1 105 105 SER H H 105 8.747 8.747 8.306 0.441 19282 2197 1 3 . 1 1 106 106 GLY N N 106 117.934 117.934 109.907 8.027 19282 2198 1 3 . 1 1 106 106 GLY C C 106 173.274 173.274 172.647 0.627 19282 2199 1 3 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.426 2.435 19282 2200 1 3 . 1 1 106 106 GLY H H 106 9.283 9.283 7.466 1.817 19282 2201 1 3 . 1 1 107 107 ASP N N 107 122.936 122.936 122.002 0.934 19282 2202 1 3 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.682 -0.049 19282 2203 1 3 . 1 1 107 107 ASP C C 107 174.997 174.997 175.695 -0.698 19282 2204 1 3 . 1 1 107 107 ASP CA C 107 53.502 53.502 55.121 -1.619 19282 2205 1 3 . 1 1 107 107 ASP CB C 107 40.928 40.928 40.965 -0.037 19282 2206 1 3 . 1 1 107 107 ASP H H 107 8.420 8.420 8.579 -0.159 19282 2207 1 3 . 1 1 108 108 LYS N N 108 116.770 116.770 117.515 -0.745 19282 2208 1 3 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.594 0.130 19282 2209 1 3 . 1 1 108 108 LYS C C 108 173.949 173.949 174.679 -0.730 19282 2210 1 3 . 1 1 108 108 LYS CA C 108 54.743 54.743 54.367 0.376 19282 2211 1 3 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.938 -0.515 19282 2212 1 3 . 1 1 108 108 LYS H H 108 7.764 7.764 7.396 0.368 19282 2213 1 3 . 1 1 109 109 VAL N N 109 120.190 120.190 120.003 0.187 19282 2214 1 3 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.692 0.039 19282 2215 1 3 . 1 1 109 109 VAL C C 109 175.297 175.297 176.198 -0.901 19282 2216 1 3 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.189 0.820 19282 2217 1 3 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.628 -0.632 19282 2218 1 3 . 1 1 109 109 VAL H H 109 8.315 8.315 8.477 -0.162 19282 2219 1 3 . 1 1 110 110 THR N N 110 121.358 121.358 115.035 6.323 19282 2220 1 3 . 1 1 110 110 THR HA H 110 4.765 4.765 4.665 0.100 19282 2221 1 3 . 1 1 110 110 THR C C 110 172.026 172.026 173.247 -1.221 19282 2222 1 3 . 1 1 110 110 THR CA C 110 59.150 59.150 59.665 -0.515 19282 2223 1 3 . 1 1 110 110 THR CB C 110 71.063 71.063 71.861 -0.798 19282 2224 1 3 . 1 1 110 110 THR H H 110 9.253 9.253 8.918 0.335 19282 2225 1 3 . 1 1 111 111 PHE N N 111 116.390 116.390 119.438 -3.048 19282 2226 1 3 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.663 -0.060 19282 2227 1 3 . 1 1 111 111 PHE C C 111 174.645 174.645 174.149 0.496 19282 2228 1 3 . 1 1 111 111 PHE CA C 111 55.962 55.962 55.429 0.533 19282 2229 1 3 . 1 1 111 111 PHE CB C 111 41.976 41.976 41.370 0.606 19282 2230 1 3 . 1 1 111 111 PHE H H 111 7.934 7.934 7.853 0.081 19282 2231 1 3 . 1 1 112 112 GLU N N 112 119.577 119.577 122.259 -2.682 19282 2232 1 3 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.897 0.023 19282 2233 1 3 . 1 1 112 112 GLU C C 112 175.303 175.303 175.131 0.172 19282 2234 1 3 . 1 1 112 112 GLU CA C 112 54.687 54.687 53.890 0.797 19282 2235 1 3 . 1 1 112 112 GLU CB C 112 34.154 34.154 33.472 0.682 19282 2236 1 3 . 1 1 112 112 GLU H H 112 9.266 9.266 9.465 -0.199 19282 2237 1 3 . 1 1 113 113 SER N N 113 114.911 114.911 116.408 -1.497 19282 2238 1 3 . 1 1 113 113 SER HA H 113 4.706 4.706 4.660 0.046 19282 2239 1 3 . 1 1 113 113 SER C C 113 178.063 178.063 175.807 2.256 19282 2240 1 3 . 1 1 113 113 SER CA C 113 59.218 59.218 58.789 0.429 19282 2241 1 3 . 1 1 113 113 SER CB C 113 63.646 63.646 63.859 -0.213 19282 2242 1 3 . 1 1 113 113 SER H H 113 8.880 8.880 8.693 0.187 19282 2243 1 3 . 1 1 114 114 CYS N N 114 125.039 125.039 122.007 3.032 19282 2244 1 3 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.782 0.489 19282 2245 1 3 . 1 1 114 114 CYS C C 114 174.382 174.382 175.843 -1.461 19282 2246 1 3 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.813 -1.161 19282 2247 1 3 . 1 1 114 114 CYS CB C 114 45.624 45.624 26.601 19.023 19282 2248 1 3 . 1 1 114 114 CYS H H 114 9.143 9.143 9.093 0.050 19282 2249 1 3 . 1 1 115 115 ASN N N 115 116.644 116.644 115.161 1.483 19282 2250 1 3 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.673 0.403 19282 2251 1 3 . 1 1 115 115 ASN C C 115 175.268 175.268 175.003 0.265 19282 2252 1 3 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.323 -0.218 19282 2253 1 3 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.151 -0.066 19282 2254 1 3 . 1 1 115 115 ASN H H 115 8.251 8.251 8.382 -0.131 19282 2255 1 3 . 1 1 116 116 SER N N 116 117.296 117.296 116.771 0.525 19282 2256 1 3 . 1 1 116 116 SER HA H 116 4.509 4.509 4.583 -0.074 19282 2257 1 3 . 1 1 116 116 SER C C 116 170.342 170.342 174.042 -3.700 19282 2258 1 3 . 1 1 116 116 SER CA C 116 59.592 59.592 58.034 1.558 19282 2259 1 3 . 1 1 116 116 SER CB C 116 63.948 63.948 64.967 -1.019 19282 2260 1 3 . 1 1 116 116 SER H H 116 7.988 7.988 8.074 -0.086 19282 2261 1 3 . 1 1 117 117 ASP N N 117 119.393 119.393 123.974 -4.581 19282 2262 1 3 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.047 -0.214 19282 2263 1 3 . 1 1 117 117 ASP C C 117 174.981 174.981 175.643 -0.662 19282 2264 1 3 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.132 -0.801 19282 2265 1 3 . 1 1 117 117 ASP CB C 117 41.632 41.632 41.181 0.451 19282 2266 1 3 . 1 1 117 117 ASP H H 117 8.027 8.027 8.692 -0.665 19282 2267 1 3 . 1 1 118 118 ASN N N 118 121.127 121.127 123.989 -2.862 19282 2268 1 3 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.922 0.018 19282 2269 1 3 . 1 1 118 118 ASN C C 118 176.169 176.169 174.285 1.884 19282 2270 1 3 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.093 -0.018 19282 2271 1 3 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.216 -0.984 19282 2272 1 3 . 1 1 118 118 ASN H H 118 8.634 8.634 9.116 -0.482 19282 2273 1 3 . 1 1 119 119 ARG N N 119 118.108 118.108 118.605 -0.497 19282 2274 1 3 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.691 -1.200 19282 2275 1 3 . 1 1 119 119 ARG C C 119 174.125 174.125 176.168 -2.043 19282 2276 1 3 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.275 1.393 19282 2277 1 3 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.370 -0.027 19282 2278 1 3 . 1 1 119 119 ARG H H 119 6.943 6.943 8.862 -1.919 19282 2279 1 3 . 1 1 120 120 TRP N N 120 113.700 113.700 115.584 -1.884 19282 2280 1 3 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.500 0.225 19282 2281 1 3 . 1 1 120 120 TRP C C 120 173.109 173.109 173.757 -0.648 19282 2282 1 3 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.702 0.946 19282 2283 1 3 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.229 0.842 19282 2284 1 3 . 1 1 120 120 TRP H H 120 8.511 8.511 8.138 0.373 19282 2285 1 3 . 1 1 121 121 ILE N N 121 117.255 117.255 119.659 -2.404 19282 2286 1 3 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.820 0.518 19282 2287 1 3 . 1 1 121 121 ILE C C 121 176.617 176.617 175.131 1.486 19282 2288 1 3 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.517 -0.087 19282 2289 1 3 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.856 0.552 19282 2290 1 3 . 1 1 121 121 ILE H H 121 7.551 7.551 8.570 -1.019 19282 2291 1 3 . 1 1 122 122 CYS N N 122 122.116 122.116 126.607 -4.491 19282 2292 1 3 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.443 0.561 19282 2293 1 3 . 1 1 122 122 CYS C C 122 174.897 174.897 173.939 0.958 19282 2294 1 3 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.460 -5.884 19282 2295 1 3 . 1 1 122 122 CYS CB C 122 39.418 39.418 28.728 10.690 19282 2296 1 3 . 1 1 122 122 CYS H H 122 9.449 9.449 9.175 0.274 19282 2297 1 3 . 1 1 123 123 GLN N N 123 118.635 118.635 121.082 -2.447 19282 2298 1 3 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.025 0.202 19282 2299 1 3 . 1 1 123 123 GLN C C 123 174.014 174.014 174.393 -0.379 19282 2300 1 3 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.041 -0.213 19282 2301 1 3 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.286 1.686 19282 2302 1 3 . 1 1 123 123 GLN H H 123 10.073 10.073 9.620 0.453 19282 2303 1 3 . 1 1 124 124 LYS N N 124 121.677 121.677 122.382 -0.705 19282 2304 1 3 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.780 0.059 19282 2305 1 3 . 1 1 124 124 LYS C C 124 174.809 174.809 175.482 -0.673 19282 2306 1 3 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.598 0.805 19282 2307 1 3 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.453 2.124 19282 2308 1 3 . 1 1 124 124 LYS H H 124 9.115 9.115 9.194 -0.079 19282 2309 1 3 . 1 1 125 125 GLU N N 125 122.487 122.487 127.678 -5.191 19282 2310 1 3 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.263 0.312 19282 2311 1 3 . 1 1 125 125 GLU C C 125 176.057 176.057 175.478 0.579 19282 2312 1 3 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.430 -1.409 19282 2313 1 3 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.639 1.513 19282 2314 1 3 . 1 1 125 125 GLU H H 125 8.695 8.695 9.018 -0.323 19282 2315 1 3 . 1 1 126 126 LEU N N 126 123.898 123.898 128.650 -4.752 19282 2316 1 3 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.329 -0.190 19282 2317 1 3 . 1 1 126 126 LEU C C 126 176.479 176.479 176.763 -0.284 19282 2318 1 3 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.303 0.280 19282 2319 1 3 . 1 1 126 126 LEU CB C 126 42.625 42.625 43.072 -0.447 19282 2320 1 3 . 1 1 126 126 LEU H H 126 8.332 8.332 8.547 -0.215 19282 2321 1 3 . 1 1 127 127 TYR N N 127 118.052 118.052 113.528 4.524 19282 2322 1 3 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.559 -0.030 19282 2323 1 3 . 1 1 127 127 TYR C C 127 175.072 175.072 173.819 1.253 19282 2324 1 3 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.071 0.415 19282 2325 1 3 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.442 -3.573 19282 2326 1 3 . 1 1 127 127 TYR H H 127 8.028 8.028 7.843 0.185 19282 2327 1 3 . 1 1 128 128 HIS N N 128 120.723 120.723 114.805 5.918 19282 2328 1 3 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.868 -0.284 19282 2329 1 3 . 1 1 128 128 HIS C C 128 174.487 174.487 173.758 0.729 19282 2330 1 3 . 1 1 128 128 HIS CA C 128 55.688 55.688 55.045 0.643 19282 2331 1 3 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.288 -1.774 19282 2332 1 3 . 1 1 128 128 HIS H H 128 8.014 8.014 8.385 -0.371 19282 2333 1 3 . 1 1 129 129 GLU N N 129 122.855 122.855 119.266 3.589 19282 2334 1 3 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.741 -0.457 19282 2335 1 3 . 1 1 129 129 GLU C C 129 176.492 176.492 175.103 1.389 19282 2336 1 3 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.093 2.724 19282 2337 1 3 . 1 1 129 129 GLU CB C 129 30.472 30.472 32.574 -2.102 19282 2338 1 3 . 1 1 129 129 GLU H H 129 8.424 8.424 8.743 -0.319 19282 2339 1 3 . 1 1 130 130 THR N N 130 116.228 116.228 115.982 0.246 19282 2340 1 3 . 1 1 130 130 THR HA H 130 4.339 4.339 4.772 -0.433 19282 2341 1 3 . 1 1 130 130 THR C C 130 174.589 174.589 173.169 1.420 19282 2342 1 3 . 1 1 130 130 THR CA C 130 62.205 62.205 62.522 -0.317 19282 2343 1 3 . 1 1 130 130 THR CB C 130 69.939 69.939 69.129 0.810 19282 2344 1 3 . 1 1 130 130 THR H H 130 8.311 8.311 8.422 -0.111 19282 2345 1 3 . 1 1 131 131 LEU N N 131 124.856 124.856 127.442 -2.586 19282 2346 1 3 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.885 -0.475 19282 2347 1 3 . 1 1 131 131 LEU C C 131 177.438 177.438 174.857 2.581 19282 2348 1 3 . 1 1 131 131 LEU CA C 131 55.362 55.362 53.979 1.383 19282 2349 1 3 . 1 1 131 131 LEU CB C 131 42.356 42.356 45.764 -3.408 19282 2350 1 3 . 1 1 131 131 LEU H H 131 8.294 8.294 7.983 0.311 19282 2351 1 3 . 1 1 132 132 SER N N 132 116.127 116.127 117.670 -1.543 19282 2352 1 3 . 1 1 132 132 SER HA H 132 4.397 4.397 4.873 -0.476 19282 2353 1 3 . 1 1 132 132 SER C C 132 174.250 174.250 173.329 0.921 19282 2354 1 3 . 1 1 132 132 SER CA C 132 58.571 58.571 57.060 1.511 19282 2355 1 3 . 1 1 132 132 SER CB C 132 63.862 63.862 65.122 -1.260 19282 2356 1 3 . 1 1 132 132 SER H H 132 8.255 8.255 8.332 -0.078 19282 2357 1 3 . 1 1 133 133 ASN N N 133 120.181 120.181 124.049 -3.868 19282 2358 1 3 . 1 1 133 133 ASN HA H 133 4.692 4.692 5.283 -0.591 19282 2359 1 3 . 1 1 133 133 ASN C C 133 174.658 174.658 173.996 0.662 19282 2360 1 3 . 1 1 133 133 ASN CA C 133 53.339 53.339 52.165 1.174 19282 2361 1 3 . 1 1 133 133 ASN CB C 133 38.838 38.838 40.829 -1.991 19282 2362 1 3 . 1 1 133 133 ASN H H 133 8.293 8.293 8.585 -0.292 19282 2363 1 3 . 1 1 134 134 TYR N N 134 120.605 120.605 121.287 -0.682 19282 2364 1 3 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.613 -0.040 19282 2365 1 3 . 1 1 134 134 TYR C C 134 175.726 175.726 176.997 -1.271 19282 2366 1 3 . 1 1 134 134 TYR CA C 134 58.149 58.149 58.223 -0.074 19282 2367 1 3 . 1 1 134 134 TYR CB C 134 38.845 38.845 40.462 -1.617 19282 2368 1 3 . 1 1 134 134 TYR H H 134 8.067 8.067 8.770 -0.703 19282 2369 1 3 . 1 1 135 135 VAL N N 135 122.466 122.466 116.350 6.116 19282 2370 1 3 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.573 0.474 19282 2371 1 3 . 1 1 135 135 VAL C C 135 176.130 176.130 175.896 0.234 19282 2372 1 3 . 1 1 135 135 VAL CA C 135 62.546 62.546 62.368 0.178 19282 2373 1 3 . 1 1 135 135 VAL CB C 135 32.778 32.778 29.993 2.785 19282 2374 1 3 . 1 1 135 135 VAL H H 135 7.952 7.952 8.374 -0.422 19282 2375 1 3 . 1 1 136 136 GLY N N 136 111.336 111.336 108.282 3.054 19282 2376 1 3 . 1 1 136 136 GLY C C 136 173.652 173.652 174.479 -0.827 19282 2377 1 3 . 1 1 136 136 GLY CA C 136 45.218 45.218 46.191 -0.973 19282 2378 1 3 . 1 1 136 136 GLY H H 136 7.915 7.915 7.380 0.535 19282 2379 1 3 . 1 1 137 137 TYR N N 137 119.801 119.801 117.432 2.369 19282 2380 1 3 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.616 -0.052 19282 2381 1 3 . 1 1 137 137 TYR C C 137 176.375 176.375 175.770 0.605 19282 2382 1 3 . 1 1 137 137 TYR CA C 137 58.168 58.168 57.844 0.324 19282 2383 1 3 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.135 0.790 19282 2384 1 3 . 1 1 137 137 TYR H H 137 7.994 7.994 7.682 0.312 19282 2385 1 3 . 1 1 138 138 GLY N N 138 110.979 110.979 105.661 5.318 19282 2386 1 3 . 1 1 138 138 GLY C C 138 173.159 173.159 173.922 -0.763 19282 2387 1 3 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.262 0.113 19282 2388 1 3 . 1 1 138 138 GLY H H 138 8.345 8.345 8.016 0.329 19282 2389 1 4 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.107 0.277 19282 2390 1 4 . 1 1 2 2 ALA C C 2 177.184 177.184 176.064 1.120 19282 2391 1 4 . 1 1 2 2 ALA CA C 2 52.459 52.459 52.474 -0.015 19282 2392 1 4 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.639 0.849 19282 2393 1 4 . 1 1 3 3 LYS N N 3 120.996 120.996 118.683 2.313 19282 2394 1 4 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.072 0.247 19282 2395 1 4 . 1 1 3 3 LYS C C 3 176.038 176.038 174.765 1.273 19282 2396 1 4 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.838 -0.650 19282 2397 1 4 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.364 0.897 19282 2398 1 4 . 1 1 3 3 LYS H H 3 8.272 8.272 8.576 -0.304 19282 2399 1 4 . 1 1 4 4 LEU N N 4 124.847 124.847 125.824 -0.977 19282 2400 1 4 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.587 -0.191 19282 2401 1 4 . 1 1 4 4 LEU C C 4 175.745 175.745 175.981 -0.236 19282 2402 1 4 . 1 1 4 4 LEU CA C 4 54.792 54.792 52.986 1.806 19282 2403 1 4 . 1 1 4 4 LEU CB C 4 42.683 42.683 44.634 -1.951 19282 2404 1 4 . 1 1 4 4 LEU H H 4 8.247 8.247 8.179 0.068 19282 2405 1 4 . 1 1 5 5 GLU N N 5 120.599 120.599 117.931 2.668 19282 2406 1 4 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.582 -0.063 19282 2407 1 4 . 1 1 5 5 GLU C C 5 176.076 176.076 175.972 0.104 19282 2408 1 4 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.406 -0.409 19282 2409 1 4 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.758 1.595 19282 2410 1 4 . 1 1 5 5 GLU H H 5 8.093 8.093 8.299 -0.206 19282 2411 1 4 . 1 1 6 6 CYS N N 6 120.079 120.079 118.418 1.661 19282 2412 1 4 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.828 -0.092 19282 2413 1 4 . 1 1 6 6 CYS C C 6 172.237 172.237 172.506 -0.269 19282 2414 1 4 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.108 -1.890 19282 2415 1 4 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.131 10.314 19282 2416 1 4 . 1 1 6 6 CYS H H 6 8.750 8.750 8.406 0.344 19282 2417 1 4 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.516 -0.167 19282 2418 1 4 . 1 1 7 7 PRO C C 7 176.014 176.014 177.857 -1.843 19282 2419 1 4 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.647 -0.175 19282 2420 1 4 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.252 -1.051 19282 2421 1 4 . 1 1 8 8 GLN N N 8 120.940 120.940 119.811 1.129 19282 2422 1 4 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.041 0.067 19282 2423 1 4 . 1 1 8 8 GLN C C 8 176.701 176.701 176.200 0.501 19282 2424 1 4 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.424 -0.338 19282 2425 1 4 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.540 0.303 19282 2426 1 4 . 1 1 8 8 GLN H H 8 8.443 8.443 8.735 -0.292 19282 2427 1 4 . 1 1 9 9 ASP N N 9 116.982 116.982 118.462 -1.480 19282 2428 1 4 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.716 -0.200 19282 2429 1 4 . 1 1 9 9 ASP C C 9 176.201 176.201 175.624 0.577 19282 2430 1 4 . 1 1 9 9 ASP CA C 9 56.613 56.613 55.295 1.318 19282 2431 1 4 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.680 -1.268 19282 2432 1 4 . 1 1 9 9 ASP H H 9 9.023 9.023 8.450 0.573 19282 2433 1 4 . 1 1 10 10 TRP N N 10 121.568 121.568 117.282 4.286 19282 2434 1 4 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.148 -0.085 19282 2435 1 4 . 1 1 10 10 TRP C C 10 175.997 175.997 176.400 -0.403 19282 2436 1 4 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.148 1.516 19282 2437 1 4 . 1 1 10 10 TRP CB C 10 29.075 29.075 31.077 -2.002 19282 2438 1 4 . 1 1 10 10 TRP H H 10 8.440 8.440 7.666 0.774 19282 2439 1 4 . 1 1 11 11 LEU N N 11 123.195 123.195 123.504 -0.309 19282 2440 1 4 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.757 0.007 19282 2441 1 4 . 1 1 11 11 LEU C C 11 176.837 176.837 176.627 0.210 19282 2442 1 4 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.992 0.615 19282 2443 1 4 . 1 1 11 11 LEU CB C 11 44.386 44.386 42.114 2.272 19282 2444 1 4 . 1 1 11 11 LEU H H 11 9.613 9.613 9.348 0.265 19282 2445 1 4 . 1 1 12 12 SER N N 12 116.705 116.705 120.979 -4.274 19282 2446 1 4 . 1 1 12 12 SER HA H 12 5.389 5.389 4.590 0.799 19282 2447 1 4 . 1 1 12 12 SER C C 12 174.164 174.164 173.646 0.518 19282 2448 1 4 . 1 1 12 12 SER CA C 12 57.066 57.066 58.155 -1.089 19282 2449 1 4 . 1 1 12 12 SER CB C 12 65.488 65.488 63.506 1.982 19282 2450 1 4 . 1 1 12 12 SER H H 12 8.733 8.733 8.911 -0.178 19282 2451 1 4 . 1 1 13 13 HIS N N 13 123.615 123.615 128.083 -4.468 19282 2452 1 4 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.522 -0.217 19282 2453 1 4 . 1 1 13 13 HIS C C 13 173.536 173.536 174.290 -0.754 19282 2454 1 4 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.390 1.887 19282 2455 1 4 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.089 0.863 19282 2456 1 4 . 1 1 13 13 HIS H H 13 8.303 8.303 8.814 -0.511 19282 2457 1 4 . 1 1 14 14 ARG N N 14 125.609 125.609 125.177 0.432 19282 2458 1 4 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.711 -0.189 19282 2459 1 4 . 1 1 14 14 ARG C C 14 175.434 175.434 175.531 -0.097 19282 2460 1 4 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.943 -0.529 19282 2461 1 4 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.556 -0.774 19282 2462 1 4 . 1 1 14 14 ARG H H 14 8.858 8.858 8.607 0.251 19282 2463 1 4 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.728 0.035 19282 2464 1 4 . 1 1 15 15 ASP C C 15 174.250 174.250 174.834 -0.584 19282 2465 1 4 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.831 1.654 19282 2466 1 4 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.993 -1.545 19282 2467 1 4 . 1 1 16 16 LYS N N 16 118.266 118.266 118.604 -0.338 19282 2468 1 4 . 1 1 16 16 LYS HA H 16 5.016 5.016 5.011 0.005 19282 2469 1 4 . 1 1 16 16 LYS C C 16 175.472 175.472 173.931 1.541 19282 2470 1 4 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.905 0.659 19282 2471 1 4 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.357 0.948 19282 2472 1 4 . 1 1 16 16 LYS H H 16 8.289 8.289 7.912 0.377 19282 2473 1 4 . 1 1 17 17 CYS N N 17 118.232 118.232 118.904 -0.672 19282 2474 1 4 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.191 0.743 19282 2475 1 4 . 1 1 17 17 CYS C C 17 174.859 174.859 173.296 1.563 19282 2476 1 4 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.652 -5.105 19282 2477 1 4 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.375 13.822 19282 2478 1 4 . 1 1 17 17 CYS H H 17 8.492 8.492 8.557 -0.065 19282 2479 1 4 . 1 1 18 18 PHE N N 18 121.121 121.121 124.780 -3.659 19282 2480 1 4 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.754 0.492 19282 2481 1 4 . 1 1 18 18 PHE C C 18 174.238 174.238 174.885 -0.647 19282 2482 1 4 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.586 1.841 19282 2483 1 4 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.141 1.049 19282 2484 1 4 . 1 1 18 18 PHE H H 18 10.029 10.029 9.374 0.655 19282 2485 1 4 . 1 1 19 19 HIS N N 19 122.393 122.393 120.312 2.081 19282 2486 1 4 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.555 -0.192 19282 2487 1 4 . 1 1 19 19 HIS C C 19 172.933 172.933 172.696 0.237 19282 2488 1 4 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.854 0.228 19282 2489 1 4 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.354 -1.955 19282 2490 1 4 . 1 1 19 19 HIS H H 19 8.624 8.624 9.202 -0.578 19282 2491 1 4 . 1 1 20 20 VAL N N 20 128.351 128.351 128.865 -0.514 19282 2492 1 4 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.790 0.401 19282 2493 1 4 . 1 1 20 20 VAL C C 20 174.971 174.971 174.784 0.187 19282 2494 1 4 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.065 -1.016 19282 2495 1 4 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.426 0.683 19282 2496 1 4 . 1 1 20 20 VAL H H 20 7.880 7.880 8.234 -0.354 19282 2497 1 4 . 1 1 21 21 SER N N 21 123.985 123.985 124.880 -0.895 19282 2498 1 4 . 1 1 21 21 SER HA H 21 3.904 3.904 4.041 -0.137 19282 2499 1 4 . 1 1 21 21 SER C C 21 173.842 173.842 174.248 -0.406 19282 2500 1 4 . 1 1 21 21 SER CA C 21 59.417 59.417 58.118 1.299 19282 2501 1 4 . 1 1 21 21 SER CB C 21 62.993 62.993 62.292 0.701 19282 2502 1 4 . 1 1 21 21 SER H H 21 8.802 8.802 8.242 0.560 19282 2503 1 4 . 1 1 22 22 GLN N N 22 118.390 118.390 124.698 -6.308 19282 2504 1 4 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.304 -0.031 19282 2505 1 4 . 1 1 22 22 GLN C C 22 175.650 175.650 174.587 1.063 19282 2506 1 4 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.799 -0.073 19282 2507 1 4 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.559 1.483 19282 2508 1 4 . 1 1 22 22 GLN H H 22 8.866 8.866 8.474 0.392 19282 2509 1 4 . 1 1 23 23 VAL N N 23 113.258 113.258 112.922 0.336 19282 2510 1 4 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.486 -0.172 19282 2511 1 4 . 1 1 23 23 VAL C C 23 172.691 172.691 174.811 -2.120 19282 2512 1 4 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.153 0.633 19282 2513 1 4 . 1 1 23 23 VAL CB C 23 34.368 34.368 34.117 0.251 19282 2514 1 4 . 1 1 23 23 VAL H H 23 6.897 6.897 7.112 -0.215 19282 2515 1 4 . 1 1 24 24 SER N N 24 115.205 115.205 118.449 -3.244 19282 2516 1 4 . 1 1 24 24 SER HA H 24 4.894 4.894 5.397 -0.503 19282 2517 1 4 . 1 1 24 24 SER C C 24 173.846 173.846 173.907 -0.061 19282 2518 1 4 . 1 1 24 24 SER CA C 24 56.040 56.040 57.762 -1.722 19282 2519 1 4 . 1 1 24 24 SER CB C 24 65.361 65.361 64.535 0.826 19282 2520 1 4 . 1 1 24 24 SER H H 24 8.125 8.125 8.515 -0.390 19282 2521 1 4 . 1 1 25 25 ASN N N 25 122.669 122.669 122.557 0.112 19282 2522 1 4 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.183 -0.095 19282 2523 1 4 . 1 1 25 25 ASN C C 25 175.285 175.285 174.227 1.058 19282 2524 1 4 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.277 0.753 19282 2525 1 4 . 1 1 25 25 ASN CB C 25 41.535 41.535 43.001 -1.466 19282 2526 1 4 . 1 1 25 25 ASN H H 25 9.854 9.854 9.522 0.332 19282 2527 1 4 . 1 1 26 26 THR N N 26 113.569 113.569 112.564 1.005 19282 2528 1 4 . 1 1 26 26 THR HA H 26 5.520 5.520 5.484 0.036 19282 2529 1 4 . 1 1 26 26 THR C C 26 174.350 174.350 176.011 -1.661 19282 2530 1 4 . 1 1 26 26 THR CA C 26 61.930 61.930 60.644 1.286 19282 2531 1 4 . 1 1 26 26 THR CB C 26 70.719 70.719 70.330 0.389 19282 2532 1 4 . 1 1 26 26 THR H H 26 9.718 9.718 8.605 1.113 19282 2533 1 4 . 1 1 27 27 TRP N N 27 121.857 121.857 122.466 -0.609 19282 2534 1 4 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.394 -0.777 19282 2535 1 4 . 1 1 27 27 TRP C C 27 177.624 177.624 177.409 0.215 19282 2536 1 4 . 1 1 27 27 TRP CA C 27 62.651 62.651 61.978 0.673 19282 2537 1 4 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.176 1.252 19282 2538 1 4 . 1 1 27 27 TRP H H 27 7.836 7.836 8.405 -0.569 19282 2539 1 4 . 1 1 28 28 GLU N N 28 114.949 114.949 116.980 -2.031 19282 2540 1 4 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.673 0.035 19282 2541 1 4 . 1 1 28 28 GLU C C 28 178.928 178.928 178.848 0.080 19282 2542 1 4 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.550 0.039 19282 2543 1 4 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.218 0.262 19282 2544 1 4 . 1 1 28 28 GLU H H 28 8.827 8.827 8.440 0.387 19282 2545 1 4 . 1 1 29 29 GLU N N 29 118.462 118.462 120.085 -1.623 19282 2546 1 4 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.896 0.030 19282 2547 1 4 . 1 1 29 29 GLU C C 29 179.587 179.587 179.012 0.575 19282 2548 1 4 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.693 -0.124 19282 2549 1 4 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.332 -1.199 19282 2550 1 4 . 1 1 29 29 GLU H H 29 7.259 7.259 7.530 -0.271 19282 2551 1 4 . 1 1 30 30 GLY N N 30 112.186 112.186 107.758 4.428 19282 2552 1 4 . 1 1 30 30 GLY C C 30 173.516 173.516 175.584 -2.068 19282 2553 1 4 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.909 -0.167 19282 2554 1 4 . 1 1 30 30 GLY H H 30 7.871 7.871 8.141 -0.270 19282 2555 1 4 . 1 1 31 31 LEU N N 31 122.216 122.216 123.092 -0.876 19282 2556 1 4 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.775 -0.430 19282 2557 1 4 . 1 1 31 31 LEU C C 31 179.828 179.828 178.617 1.211 19282 2558 1 4 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.482 1.473 19282 2559 1 4 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.045 0.430 19282 2560 1 4 . 1 1 31 31 LEU H H 31 7.610 7.610 7.699 -0.089 19282 2561 1 4 . 1 1 32 32 VAL N N 32 118.301 118.301 118.979 -0.678 19282 2562 1 4 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.842 -0.191 19282 2563 1 4 . 1 1 32 32 VAL C C 32 179.041 179.041 178.393 0.648 19282 2564 1 4 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.117 -0.250 19282 2565 1 4 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.579 0.397 19282 2566 1 4 . 1 1 32 32 VAL H H 32 7.571 7.571 7.581 -0.010 19282 2567 1 4 . 1 1 33 33 ASP N N 33 123.085 123.085 120.545 2.540 19282 2568 1 4 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.471 -0.094 19282 2569 1 4 . 1 1 33 33 ASP C C 33 179.766 179.766 178.872 0.894 19282 2570 1 4 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.289 -0.152 19282 2571 1 4 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.824 2.611 19282 2572 1 4 . 1 1 33 33 ASP H H 33 7.924 7.924 8.010 -0.086 19282 2573 1 4 . 1 1 34 34 CYS N N 34 115.181 115.181 117.522 -2.341 19282 2574 1 4 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.517 -0.013 19282 2575 1 4 . 1 1 34 34 CYS C C 34 177.697 177.697 177.294 0.403 19282 2576 1 4 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.299 -5.229 19282 2577 1 4 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.151 8.270 19282 2578 1 4 . 1 1 34 34 CYS H H 34 8.486 8.486 8.093 0.393 19282 2579 1 4 . 1 1 35 35 ASP N N 35 123.300 123.300 121.401 1.899 19282 2580 1 4 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.695 0.059 19282 2581 1 4 . 1 1 35 35 ASP C C 35 180.457 180.457 179.348 1.109 19282 2582 1 4 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.204 1.066 19282 2583 1 4 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.080 2.063 19282 2584 1 4 . 1 1 35 35 ASP H H 35 8.458 8.458 7.986 0.472 19282 2585 1 4 . 1 1 36 36 GLY N N 36 107.140 107.140 108.813 -1.673 19282 2586 1 4 . 1 1 36 36 GLY C C 36 175.345 175.345 175.549 -0.204 19282 2587 1 4 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.957 -0.081 19282 2588 1 4 . 1 1 36 36 GLY H H 36 8.281 8.281 8.031 0.250 19282 2589 1 4 . 1 1 37 37 LYS N N 37 119.450 119.450 119.496 -0.046 19282 2590 1 4 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.500 0.046 19282 2591 1 4 . 1 1 37 37 LYS C C 37 176.415 176.415 175.768 0.647 19282 2592 1 4 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.619 1.211 19282 2593 1 4 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.474 1.280 19282 2594 1 4 . 1 1 37 37 LYS H H 37 7.587 7.587 7.575 0.012 19282 2595 1 4 . 1 1 38 38 GLY N N 38 109.781 109.781 107.234 2.547 19282 2596 1 4 . 1 1 38 38 GLY C C 38 174.144 174.144 173.370 0.774 19282 2597 1 4 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.415 1.376 19282 2598 1 4 . 1 1 38 38 GLY H H 38 8.205 8.205 7.999 0.206 19282 2599 1 4 . 1 1 39 39 ALA N N 39 123.317 123.317 121.091 2.226 19282 2600 1 4 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.312 -0.196 19282 2601 1 4 . 1 1 39 39 ALA C C 39 174.817 174.817 175.378 -0.561 19282 2602 1 4 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.615 -0.441 19282 2603 1 4 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.907 2.246 19282 2604 1 4 . 1 1 39 39 ALA H H 39 8.107 8.107 7.584 0.523 19282 2605 1 4 . 1 1 40 40 THR N N 40 108.747 108.747 110.652 -1.905 19282 2606 1 4 . 1 1 40 40 THR HA H 40 5.080 5.080 4.758 0.322 19282 2607 1 4 . 1 1 40 40 THR C C 40 175.723 175.723 173.893 1.830 19282 2608 1 4 . 1 1 40 40 THR CA C 40 60.173 60.173 59.490 0.683 19282 2609 1 4 . 1 1 40 40 THR CB C 40 72.452 72.452 71.894 0.558 19282 2610 1 4 . 1 1 40 40 THR H H 40 8.566 8.566 9.070 -0.504 19282 2611 1 4 . 1 1 41 41 LEU N N 41 123.750 123.750 124.247 -0.497 19282 2612 1 4 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.539 0.515 19282 2613 1 4 . 1 1 41 41 LEU C C 41 177.800 177.800 177.375 0.425 19282 2614 1 4 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.296 1.380 19282 2615 1 4 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.858 1.766 19282 2616 1 4 . 1 1 41 41 LEU H H 41 7.791 7.791 8.607 -0.816 19282 2617 1 4 . 1 1 42 42 MET N N 42 116.452 116.452 127.816 -11.364 19282 2618 1 4 . 1 1 42 42 MET HA H 42 4.098 4.098 4.297 -0.199 19282 2619 1 4 . 1 1 42 42 MET C C 42 174.097 174.097 174.505 -0.408 19282 2620 1 4 . 1 1 42 42 MET CA C 42 57.887 57.887 56.107 1.780 19282 2621 1 4 . 1 1 42 42 MET CB C 42 34.299 34.299 32.124 2.175 19282 2622 1 4 . 1 1 42 42 MET H H 42 7.983 7.983 9.002 -1.019 19282 2623 1 4 . 1 1 43 43 LEU N N 43 128.106 128.106 128.154 -0.048 19282 2624 1 4 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.885 0.632 19282 2625 1 4 . 1 1 43 43 LEU C C 43 174.928 174.928 175.000 -0.072 19282 2626 1 4 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.240 1.293 19282 2627 1 4 . 1 1 43 43 LEU CB C 43 42.828 42.828 40.597 2.231 19282 2628 1 4 . 1 1 43 43 LEU H H 43 8.078 8.078 8.643 -0.565 19282 2629 1 4 . 1 1 44 44 ILE N N 44 118.686 118.686 122.229 -3.543 19282 2630 1 4 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.940 0.262 19282 2631 1 4 . 1 1 44 44 ILE C C 44 175.736 175.736 175.697 0.039 19282 2632 1 4 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.947 -0.896 19282 2633 1 4 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.399 -0.231 19282 2634 1 4 . 1 1 44 44 ILE H H 44 5.273 5.273 7.380 -2.107 19282 2635 1 4 . 1 1 45 45 GLN N N 45 127.754 127.754 126.612 1.142 19282 2636 1 4 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.438 -0.259 19282 2637 1 4 . 1 1 45 45 GLN C C 45 175.402 175.402 175.243 0.159 19282 2638 1 4 . 1 1 45 45 GLN CA C 45 57.103 57.103 55.917 1.186 19282 2639 1 4 . 1 1 45 45 GLN CB C 45 30.833 30.833 31.322 -0.489 19282 2640 1 4 . 1 1 45 45 GLN H H 45 9.722 9.722 9.388 0.334 19282 2641 1 4 . 1 1 46 46 ASP N N 46 114.490 114.490 115.315 -0.825 19282 2642 1 4 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.774 -0.130 19282 2643 1 4 . 1 1 46 46 ASP C C 46 175.286 175.286 175.561 -0.275 19282 2644 1 4 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.558 -0.302 19282 2645 1 4 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.594 0.158 19282 2646 1 4 . 1 1 46 46 ASP H H 46 7.545 7.545 7.632 -0.087 19282 2647 1 4 . 1 1 47 47 GLN N N 47 118.745 118.745 119.758 -1.013 19282 2648 1 4 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.196 -0.193 19282 2649 1 4 . 1 1 47 47 GLN C C 47 177.858 177.858 177.854 0.004 19282 2650 1 4 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.716 0.279 19282 2651 1 4 . 1 1 47 47 GLN CB C 47 28.468 28.468 29.162 -0.694 19282 2652 1 4 . 1 1 47 47 GLN H H 47 8.954 8.954 8.640 0.314 19282 2653 1 4 . 1 1 48 48 GLU N N 48 121.721 121.721 119.270 2.451 19282 2654 1 4 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.074 0.008 19282 2655 1 4 . 1 1 48 48 GLU C C 48 179.073 179.073 178.630 0.443 19282 2656 1 4 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.585 0.365 19282 2657 1 4 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.078 -0.331 19282 2658 1 4 . 1 1 48 48 GLU H H 48 8.532 8.532 8.890 -0.358 19282 2659 1 4 . 1 1 49 49 GLU N N 49 120.709 120.709 120.206 0.503 19282 2660 1 4 . 1 1 49 49 GLU HA H 49 3.776 3.776 3.868 -0.092 19282 2661 1 4 . 1 1 49 49 GLU C C 49 177.707 177.707 178.957 -1.250 19282 2662 1 4 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.215 0.614 19282 2663 1 4 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.314 1.312 19282 2664 1 4 . 1 1 49 49 GLU H H 49 8.336 8.336 8.129 0.207 19282 2665 1 4 . 1 1 50 50 LEU N N 50 118.070 118.070 118.597 -0.527 19282 2666 1 4 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.999 -0.062 19282 2667 1 4 . 1 1 50 50 LEU C C 50 177.342 177.342 178.742 -1.400 19282 2668 1 4 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.755 0.520 19282 2669 1 4 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.519 0.186 19282 2670 1 4 . 1 1 50 50 LEU H H 50 7.175 7.175 7.481 -0.306 19282 2671 1 4 . 1 1 51 51 ARG N N 51 117.898 117.898 120.036 -2.138 19282 2672 1 4 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.045 -0.238 19282 2673 1 4 . 1 1 51 51 ARG C C 51 177.876 177.876 178.008 -0.132 19282 2674 1 4 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.811 0.562 19282 2675 1 4 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.008 0.920 19282 2676 1 4 . 1 1 51 51 ARG H H 51 8.135 8.135 8.636 -0.501 19282 2677 1 4 . 1 1 52 52 PHE N N 52 118.865 118.865 121.164 -2.299 19282 2678 1 4 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.614 -0.486 19282 2679 1 4 . 1 1 52 52 PHE C C 52 178.379 178.379 177.036 1.343 19282 2680 1 4 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.262 1.018 19282 2681 1 4 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.529 -1.015 19282 2682 1 4 . 1 1 52 52 PHE H H 52 8.003 8.003 7.751 0.252 19282 2683 1 4 . 1 1 53 53 LEU N N 53 122.451 122.451 122.059 0.392 19282 2684 1 4 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.861 -0.457 19282 2685 1 4 . 1 1 53 53 LEU C C 53 178.870 178.870 179.071 -0.201 19282 2686 1 4 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.509 -0.213 19282 2687 1 4 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.792 0.539 19282 2688 1 4 . 1 1 53 53 LEU H H 53 7.824 7.824 8.201 -0.377 19282 2689 1 4 . 1 1 54 54 LEU N N 54 117.828 117.828 119.695 -1.867 19282 2690 1 4 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.782 0.005 19282 2691 1 4 . 1 1 54 54 LEU C C 54 179.783 179.783 179.343 0.440 19282 2692 1 4 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.321 -0.388 19282 2693 1 4 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.925 0.006 19282 2694 1 4 . 1 1 54 54 LEU H H 54 8.361 8.361 8.615 -0.254 19282 2695 1 4 . 1 1 55 55 ASP N N 55 116.846 116.846 119.809 -2.963 19282 2696 1 4 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.320 0.057 19282 2697 1 4 . 1 1 55 55 ASP C C 55 177.824 177.824 178.244 -0.420 19282 2698 1 4 . 1 1 55 55 ASP CA C 55 56.232 56.232 57.118 -0.887 19282 2699 1 4 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.660 0.173 19282 2700 1 4 . 1 1 55 55 ASP H H 55 7.933 7.933 8.063 -0.130 19282 2701 1 4 . 1 1 56 56 SER N N 56 114.399 114.399 114.303 0.096 19282 2702 1 4 . 1 1 56 56 SER HA H 56 4.122 4.122 4.197 -0.075 19282 2703 1 4 . 1 1 56 56 SER C C 56 174.277 174.277 176.454 -2.177 19282 2704 1 4 . 1 1 56 56 SER CA C 56 60.677 60.677 60.191 0.486 19282 2705 1 4 . 1 1 56 56 SER CB C 56 63.675 63.675 64.106 -0.431 19282 2706 1 4 . 1 1 56 56 SER H H 56 7.441 7.441 7.480 -0.039 19282 2707 1 4 . 1 1 57 57 ILE N N 57 121.159 121.159 122.377 -1.218 19282 2708 1 4 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.681 0.116 19282 2709 1 4 . 1 1 57 57 ILE C C 57 175.873 175.873 177.603 -1.730 19282 2710 1 4 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.472 -0.661 19282 2711 1 4 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.578 0.988 19282 2712 1 4 . 1 1 57 57 ILE H H 57 7.378 7.378 8.115 -0.737 19282 2713 1 4 . 1 1 58 58 LYS N N 58 124.292 124.292 118.675 5.617 19282 2714 1 4 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.843 0.321 19282 2715 1 4 . 1 1 58 58 LYS C C 58 177.266 177.266 177.495 -0.229 19282 2716 1 4 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.867 -1.543 19282 2717 1 4 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.335 1.955 19282 2718 1 4 . 1 1 58 58 LYS H H 58 8.218 8.218 8.337 -0.119 19282 2719 1 4 . 1 1 59 59 GLU N N 59 119.807 119.807 121.328 -1.521 19282 2720 1 4 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.155 0.196 19282 2721 1 4 . 1 1 59 59 GLU C C 59 176.023 176.023 177.299 -1.276 19282 2722 1 4 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.483 -2.569 19282 2723 1 4 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.816 -0.985 19282 2724 1 4 . 1 1 59 59 GLU H H 59 7.761 7.761 8.300 -0.539 19282 2725 1 4 . 1 1 60 60 LYS N N 60 120.606 120.606 112.601 8.005 19282 2726 1 4 . 1 1 60 60 LYS HA H 60 4.157 4.157 4.041 0.116 19282 2727 1 4 . 1 1 60 60 LYS C C 60 176.229 176.229 175.330 0.899 19282 2728 1 4 . 1 1 60 60 LYS CA C 60 57.008 57.008 57.707 -0.699 19282 2729 1 4 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.857 1.574 19282 2730 1 4 . 1 1 60 60 LYS H H 60 8.051 8.051 8.603 -0.552 19282 2731 1 4 . 1 1 61 61 TYR N N 61 115.876 115.876 117.066 -1.190 19282 2732 1 4 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.383 0.211 19282 2733 1 4 . 1 1 61 61 TYR C C 61 175.714 175.714 174.541 1.173 19282 2734 1 4 . 1 1 61 61 TYR CA C 61 57.110 57.110 58.306 -1.196 19282 2735 1 4 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.993 -0.494 19282 2736 1 4 . 1 1 61 61 TYR H H 61 7.756 7.756 8.134 -0.378 19282 2737 1 4 . 1 1 62 62 ASN N N 62 118.634 118.634 115.048 3.586 19282 2738 1 4 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.663 0.067 19282 2739 1 4 . 1 1 62 62 ASN C C 62 173.016 173.016 172.930 0.086 19282 2740 1 4 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.689 0.965 19282 2741 1 4 . 1 1 62 62 ASN CB C 62 41.378 41.378 41.072 0.306 19282 2742 1 4 . 1 1 62 62 ASN H H 62 7.477 7.477 7.611 -0.134 19282 2743 1 4 . 1 1 63 63 SER N N 63 115.211 115.211 114.266 0.945 19282 2744 1 4 . 1 1 63 63 SER HA H 63 5.256 5.256 5.303 -0.047 19282 2745 1 4 . 1 1 63 63 SER C C 63 172.817 172.817 172.451 0.366 19282 2746 1 4 . 1 1 63 63 SER CA C 63 57.506 57.506 57.306 0.200 19282 2747 1 4 . 1 1 63 63 SER CB C 63 63.821 63.821 65.906 -2.085 19282 2748 1 4 . 1 1 63 63 SER H H 63 8.107 8.107 7.863 0.244 19282 2749 1 4 . 1 1 64 64 PHE N N 64 118.959 118.959 121.207 -2.248 19282 2750 1 4 . 1 1 64 64 PHE HA H 64 4.588 4.588 4.974 -0.386 19282 2751 1 4 . 1 1 64 64 PHE C C 64 175.495 175.495 175.480 0.015 19282 2752 1 4 . 1 1 64 64 PHE CA C 64 55.442 55.442 56.177 -0.735 19282 2753 1 4 . 1 1 64 64 PHE CB C 64 42.226 42.226 41.324 0.902 19282 2754 1 4 . 1 1 64 64 PHE H H 64 8.735 8.735 8.539 0.196 19282 2755 1 4 . 1 1 65 65 TRP N N 65 124.651 124.651 125.270 -0.619 19282 2756 1 4 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.991 0.752 19282 2757 1 4 . 1 1 65 65 TRP C C 65 175.951 175.951 176.761 -0.810 19282 2758 1 4 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.416 -0.339 19282 2759 1 4 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.019 2.657 19282 2760 1 4 . 1 1 65 65 TRP H H 65 10.282 10.282 9.129 1.153 19282 2761 1 4 . 1 1 66 66 ILE N N 66 109.430 109.430 116.088 -6.658 19282 2762 1 4 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.129 0.145 19282 2763 1 4 . 1 1 66 66 ILE C C 66 177.380 177.380 177.403 -0.023 19282 2764 1 4 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.047 1.551 19282 2765 1 4 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.574 1.190 19282 2766 1 4 . 1 1 66 66 ILE H H 66 8.443 8.443 8.752 -0.309 19282 2767 1 4 . 1 1 67 67 GLY N N 67 111.319 111.319 109.966 1.353 19282 2768 1 4 . 1 1 67 67 GLY C C 67 172.897 172.897 173.330 -0.433 19282 2769 1 4 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.899 4.096 19282 2770 1 4 . 1 1 67 67 GLY H H 67 10.395 10.395 9.226 1.169 19282 2771 1 4 . 1 1 68 68 LEU N N 68 127.499 127.499 122.519 4.980 19282 2772 1 4 . 1 1 68 68 LEU HA H 68 4.884 4.884 5.005 -0.121 19282 2773 1 4 . 1 1 68 68 LEU C C 68 173.367 173.367 175.680 -2.313 19282 2774 1 4 . 1 1 68 68 LEU CA C 68 54.637 54.637 53.758 0.879 19282 2775 1 4 . 1 1 68 68 LEU CB C 68 46.081 46.081 43.403 2.678 19282 2776 1 4 . 1 1 68 68 LEU H H 68 8.446 8.446 8.501 -0.055 19282 2777 1 4 . 1 1 69 69 ARG N N 69 124.432 124.432 121.882 2.550 19282 2778 1 4 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.694 0.215 19282 2779 1 4 . 1 1 69 69 ARG C C 69 173.026 173.026 173.920 -0.894 19282 2780 1 4 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.595 1.883 19282 2781 1 4 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.562 0.782 19282 2782 1 4 . 1 1 69 69 ARG H H 69 8.479 8.479 8.700 -0.221 19282 2783 1 4 . 1 1 70 70 TYR N N 70 128.687 128.687 125.212 3.475 19282 2784 1 4 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.711 0.165 19282 2785 1 4 . 1 1 70 70 TYR C C 70 175.118 175.118 174.631 0.487 19282 2786 1 4 . 1 1 70 70 TYR CA C 70 57.747 57.747 56.178 1.569 19282 2787 1 4 . 1 1 70 70 TYR CB C 70 38.231 38.231 37.740 0.491 19282 2788 1 4 . 1 1 70 70 TYR H H 70 7.936 7.936 7.494 0.442 19282 2789 1 4 . 1 1 71 71 THR N N 71 120.097 120.097 121.554 -1.457 19282 2790 1 4 . 1 1 71 71 THR HA H 71 4.477 4.477 4.309 0.168 19282 2791 1 4 . 1 1 71 71 THR C C 71 172.547 172.547 173.097 -0.550 19282 2792 1 4 . 1 1 71 71 THR CA C 71 60.631 60.631 60.881 -0.250 19282 2793 1 4 . 1 1 71 71 THR CB C 71 71.324 71.324 69.496 1.828 19282 2794 1 4 . 1 1 71 71 THR H H 71 7.701 7.701 8.318 -0.617 19282 2795 1 4 . 1 1 72 72 LEU N N 72 125.241 125.241 126.371 -1.130 19282 2796 1 4 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.615 -0.349 19282 2797 1 4 . 1 1 72 72 LEU C C 72 175.916 175.916 175.068 0.848 19282 2798 1 4 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.539 1.335 19282 2799 1 4 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.313 -1.493 19282 2800 1 4 . 1 1 72 72 LEU H H 72 8.487 8.487 8.376 0.111 19282 2801 1 4 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.551 -0.142 19282 2802 1 4 . 1 1 73 73 PRO C C 73 176.278 176.278 175.363 0.915 19282 2803 1 4 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.580 0.969 19282 2804 1 4 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.676 1.460 19282 2805 1 4 . 1 1 74 74 ASP N N 74 123.018 123.018 121.655 1.363 19282 2806 1 4 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.427 -0.270 19282 2807 1 4 . 1 1 74 74 ASP C C 74 175.592 175.592 175.221 0.371 19282 2808 1 4 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.290 2.238 19282 2809 1 4 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.867 -2.179 19282 2810 1 4 . 1 1 74 74 ASP H H 74 8.716 8.716 8.269 0.447 19282 2811 1 4 . 1 1 75 75 MET N N 75 113.361 113.361 115.510 -2.149 19282 2812 1 4 . 1 1 75 75 MET HA H 75 3.319 3.319 3.831 -0.512 19282 2813 1 4 . 1 1 75 75 MET C C 75 174.354 174.354 173.933 0.421 19282 2814 1 4 . 1 1 75 75 MET CA C 75 56.042 56.042 56.420 -0.378 19282 2815 1 4 . 1 1 75 75 MET CB C 75 29.181 29.181 29.873 -0.692 19282 2816 1 4 . 1 1 75 75 MET H H 75 8.421 8.421 7.758 0.663 19282 2817 1 4 . 1 1 76 76 ASN N N 76 112.997 112.997 113.750 -0.753 19282 2818 1 4 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.287 -0.479 19282 2819 1 4 . 1 1 76 76 ASN C C 76 173.984 173.984 173.795 0.189 19282 2820 1 4 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.537 -1.254 19282 2821 1 4 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.672 -0.849 19282 2822 1 4 . 1 1 76 76 ASN H H 76 6.883 6.883 7.273 -0.390 19282 2823 1 4 . 1 1 77 77 TRP N N 77 122.857 122.857 121.128 1.729 19282 2824 1 4 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.309 -0.775 19282 2825 1 4 . 1 1 77 77 TRP C C 77 175.329 175.329 176.116 -0.787 19282 2826 1 4 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.907 0.709 19282 2827 1 4 . 1 1 77 77 TRP CB C 77 30.117 30.117 30.202 -0.085 19282 2828 1 4 . 1 1 77 77 TRP H H 77 8.766 8.766 9.028 -0.262 19282 2829 1 4 . 1 1 78 78 LYS N N 78 121.731 121.731 120.334 1.397 19282 2830 1 4 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.864 0.105 19282 2831 1 4 . 1 1 78 78 LYS C C 78 177.225 177.225 175.474 1.751 19282 2832 1 4 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.670 0.479 19282 2833 1 4 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.786 -0.089 19282 2834 1 4 . 1 1 78 78 LYS H H 78 8.584 8.584 8.863 -0.279 19282 2835 1 4 . 1 1 79 79 TRP N N 79 124.809 124.809 120.588 4.221 19282 2836 1 4 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.759 -0.082 19282 2837 1 4 . 1 1 79 79 TRP C C 79 180.969 180.969 179.342 1.627 19282 2838 1 4 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.217 0.476 19282 2839 1 4 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.411 1.533 19282 2840 1 4 . 1 1 79 79 TRP H H 79 9.045 9.045 8.798 0.247 19282 2841 1 4 . 1 1 80 80 ILE N N 80 114.947 114.947 121.161 -6.214 19282 2842 1 4 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.837 0.518 19282 2843 1 4 . 1 1 80 80 ILE C C 80 175.690 175.690 175.805 -0.115 19282 2844 1 4 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.691 -0.909 19282 2845 1 4 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.672 0.612 19282 2846 1 4 . 1 1 80 80 ILE H H 80 8.493 8.493 8.393 0.100 19282 2847 1 4 . 1 1 81 81 ASN N N 81 116.185 116.185 116.257 -0.072 19282 2848 1 4 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.652 0.240 19282 2849 1 4 . 1 1 81 81 ASN C C 81 176.344 176.344 176.193 0.151 19282 2850 1 4 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.699 0.088 19282 2851 1 4 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.089 -0.311 19282 2852 1 4 . 1 1 81 81 ASN H H 81 7.370 7.370 7.964 -0.594 19282 2853 1 4 . 1 1 82 82 GLY N N 82 108.864 108.864 108.647 0.217 19282 2854 1 4 . 1 1 82 82 GLY C C 82 174.321 174.321 173.946 0.375 19282 2855 1 4 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.062 0.244 19282 2856 1 4 . 1 1 82 82 GLY H H 82 8.621 8.621 8.439 0.182 19282 2857 1 4 . 1 1 83 83 SER N N 83 116.447 116.447 114.685 1.762 19282 2858 1 4 . 1 1 83 83 SER HA H 83 4.688 4.688 4.784 -0.096 19282 2859 1 4 . 1 1 83 83 SER C C 83 174.042 174.042 173.873 0.169 19282 2860 1 4 . 1 1 83 83 SER CA C 83 58.822 58.822 56.919 1.903 19282 2861 1 4 . 1 1 83 83 SER CB C 83 64.512 64.512 64.896 -0.384 19282 2862 1 4 . 1 1 83 83 SER H H 83 7.894 7.894 7.922 -0.028 19282 2863 1 4 . 1 1 84 84 THR N N 84 117.358 117.358 118.326 -0.968 19282 2864 1 4 . 1 1 84 84 THR HA H 84 4.628 4.628 4.631 -0.003 19282 2865 1 4 . 1 1 84 84 THR C C 84 174.906 174.906 174.550 0.356 19282 2866 1 4 . 1 1 84 84 THR CA C 84 62.727 62.727 62.713 0.014 19282 2867 1 4 . 1 1 84 84 THR CB C 84 70.047 70.047 70.414 -0.367 19282 2868 1 4 . 1 1 84 84 THR H H 84 8.710 8.710 8.792 -0.082 19282 2869 1 4 . 1 1 85 85 LEU N N 85 125.457 125.457 128.833 -3.376 19282 2870 1 4 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.456 -0.037 19282 2871 1 4 . 1 1 85 85 LEU C C 85 175.973 175.973 175.743 0.230 19282 2872 1 4 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.269 0.899 19282 2873 1 4 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.719 0.741 19282 2874 1 4 . 1 1 85 85 LEU H H 85 8.244 8.244 8.082 0.162 19282 2875 1 4 . 1 1 86 86 ASN N N 86 126.729 126.729 125.713 1.016 19282 2876 1 4 . 1 1 86 86 ASN HA H 86 5.062 5.062 5.085 -0.023 19282 2877 1 4 . 1 1 86 86 ASN C C 86 176.112 176.112 175.624 0.488 19282 2878 1 4 . 1 1 86 86 ASN CA C 86 52.243 52.243 53.043 -0.800 19282 2879 1 4 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.514 0.117 19282 2880 1 4 . 1 1 86 86 ASN H H 86 9.042 9.042 9.046 -0.004 19282 2881 1 4 . 1 1 87 87 SER N N 87 120.386 120.386 121.040 -0.654 19282 2882 1 4 . 1 1 87 87 SER HA H 87 4.606 4.606 4.319 0.287 19282 2883 1 4 . 1 1 87 87 SER C C 87 174.673 174.673 174.926 -0.253 19282 2884 1 4 . 1 1 87 87 SER CA C 87 59.908 59.908 60.216 -0.308 19282 2885 1 4 . 1 1 87 87 SER CB C 87 63.602 63.602 62.935 0.667 19282 2886 1 4 . 1 1 87 87 SER H H 87 8.724 8.724 8.556 0.168 19282 2887 1 4 . 1 1 88 88 ASP N N 88 120.189 120.189 120.652 -0.463 19282 2888 1 4 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.598 -0.021 19282 2889 1 4 . 1 1 88 88 ASP C C 88 177.211 177.211 177.666 -0.455 19282 2890 1 4 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.900 -0.913 19282 2891 1 4 . 1 1 88 88 ASP CB C 88 40.640 40.640 41.149 -0.509 19282 2892 1 4 . 1 1 88 88 ASP H H 88 8.464 8.464 7.663 0.801 19282 2893 1 4 . 1 1 89 89 VAL N N 89 118.259 118.259 113.372 4.887 19282 2894 1 4 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.199 -0.212 19282 2895 1 4 . 1 1 89 89 VAL C C 89 175.071 175.071 175.056 0.015 19282 2896 1 4 . 1 1 89 89 VAL CA C 89 64.434 64.434 63.042 1.392 19282 2897 1 4 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.607 0.356 19282 2898 1 4 . 1 1 89 89 VAL H H 89 7.783 7.783 7.884 -0.101 19282 2899 1 4 . 1 1 90 90 LEU N N 90 118.198 118.198 119.818 -1.620 19282 2900 1 4 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.708 -0.229 19282 2901 1 4 . 1 1 90 90 LEU C C 90 173.881 173.881 175.848 -1.967 19282 2902 1 4 . 1 1 90 90 LEU CA C 90 54.366 54.366 53.241 1.125 19282 2903 1 4 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.821 -1.555 19282 2904 1 4 . 1 1 90 90 LEU H H 90 7.537 7.537 7.317 0.220 19282 2905 1 4 . 1 1 91 91 LYS N N 91 122.032 122.032 122.757 -0.725 19282 2906 1 4 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.353 0.080 19282 2907 1 4 . 1 1 91 91 LYS C C 91 175.565 175.565 175.199 0.366 19282 2908 1 4 . 1 1 91 91 LYS CA C 91 55.175 55.175 56.291 -1.116 19282 2909 1 4 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.126 2.051 19282 2910 1 4 . 1 1 91 91 LYS H H 91 8.121 8.121 8.435 -0.314 19282 2911 1 4 . 1 1 92 92 ILE N N 92 123.168 123.168 123.987 -0.819 19282 2912 1 4 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.306 -0.039 19282 2913 1 4 . 1 1 92 92 ILE C C 92 176.136 176.136 175.134 1.002 19282 2914 1 4 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.636 0.562 19282 2915 1 4 . 1 1 92 92 ILE CB C 92 39.028 39.028 41.258 -2.230 19282 2916 1 4 . 1 1 92 92 ILE H H 92 8.086 8.086 7.548 0.538 19282 2917 1 4 . 1 1 93 93 THR N N 93 119.647 119.647 117.628 2.019 19282 2918 1 4 . 1 1 93 93 THR HA H 93 4.487 4.487 4.399 0.088 19282 2919 1 4 . 1 1 93 93 THR C C 93 173.748 173.748 174.664 -0.916 19282 2920 1 4 . 1 1 93 93 THR CA C 93 61.605 61.605 62.162 -0.557 19282 2921 1 4 . 1 1 93 93 THR CB C 93 70.404 70.404 70.138 0.266 19282 2922 1 4 . 1 1 93 93 THR H H 93 8.238 8.238 8.229 0.009 19282 2923 1 4 . 1 1 94 94 GLY N N 94 111.397 111.397 110.690 0.707 19282 2924 1 4 . 1 1 94 94 GLY C C 94 172.757 172.757 173.753 -0.996 19282 2925 1 4 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.185 -0.471 19282 2926 1 4 . 1 1 94 94 GLY H H 94 8.133 8.133 8.531 -0.398 19282 2927 1 4 . 1 1 95 95 ASP N N 95 119.905 119.905 119.674 0.231 19282 2928 1 4 . 1 1 95 95 ASP HA H 95 4.743 4.743 5.009 -0.266 19282 2929 1 4 . 1 1 95 95 ASP C C 95 175.600 175.600 174.870 0.730 19282 2930 1 4 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.196 0.987 19282 2931 1 4 . 1 1 95 95 ASP CB C 95 41.877 41.877 42.198 -0.321 19282 2932 1 4 . 1 1 95 95 ASP H H 95 8.285 8.285 7.764 0.521 19282 2933 1 4 . 1 1 96 96 THR N N 96 115.409 115.409 119.642 -4.233 19282 2934 1 4 . 1 1 96 96 THR HA H 96 4.136 4.136 4.513 -0.377 19282 2935 1 4 . 1 1 96 96 THR C C 96 173.508 173.508 175.378 -1.870 19282 2936 1 4 . 1 1 96 96 THR CA C 96 61.369 61.369 60.949 0.420 19282 2937 1 4 . 1 1 96 96 THR CB C 96 69.775 69.775 69.499 0.276 19282 2938 1 4 . 1 1 96 96 THR H H 96 7.936 7.936 8.850 -0.914 19282 2939 1 4 . 1 1 97 97 GLU N N 97 123.162 123.162 118.208 4.954 19282 2940 1 4 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.050 0.174 19282 2941 1 4 . 1 1 97 97 GLU C C 97 175.455 175.455 175.877 -0.422 19282 2942 1 4 . 1 1 97 97 GLU CA C 97 56.162 56.162 59.712 -3.550 19282 2943 1 4 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.892 2.796 19282 2944 1 4 . 1 1 97 97 GLU H H 97 8.186 8.186 8.274 -0.088 19282 2945 1 4 . 1 1 98 98 ASN N N 98 117.342 117.342 120.245 -2.903 19282 2946 1 4 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.796 -0.275 19282 2947 1 4 . 1 1 98 98 ASN C C 98 174.251 174.251 175.738 -1.487 19282 2948 1 4 . 1 1 98 98 ASN CA C 98 53.449 53.449 53.087 0.362 19282 2949 1 4 . 1 1 98 98 ASN CB C 98 40.229 40.229 38.777 1.452 19282 2950 1 4 . 1 1 98 98 ASN H H 98 7.997 7.997 8.070 -0.073 19282 2951 1 4 . 1 1 99 99 ASP N N 99 120.235 120.235 121.232 -0.997 19282 2952 1 4 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.455 0.139 19282 2953 1 4 . 1 1 99 99 ASP C C 99 176.261 176.261 176.141 0.120 19282 2954 1 4 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.816 1.322 19282 2955 1 4 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.274 0.121 19282 2956 1 4 . 1 1 99 99 ASP H H 99 8.365 8.365 8.697 -0.332 19282 2957 1 4 . 1 1 100 100 SER N N 100 116.248 116.248 115.107 1.141 19282 2958 1 4 . 1 1 100 100 SER HA H 100 4.990 4.990 4.410 0.580 19282 2959 1 4 . 1 1 100 100 SER C C 100 172.411 172.411 173.912 -1.501 19282 2960 1 4 . 1 1 100 100 SER CA C 100 59.212 59.212 59.140 0.072 19282 2961 1 4 . 1 1 100 100 SER CB C 100 66.127 66.127 64.388 1.739 19282 2962 1 4 . 1 1 100 100 SER H H 100 7.862 7.862 7.497 0.365 19282 2963 1 4 . 1 1 101 101 CYS N N 101 121.559 121.559 121.657 -0.098 19282 2964 1 4 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.203 -0.147 19282 2965 1 4 . 1 1 101 101 CYS C C 101 172.356 172.356 174.001 -1.645 19282 2966 1 4 . 1 1 101 101 CYS CA C 101 59.446 59.446 57.746 1.700 19282 2967 1 4 . 1 1 101 101 CYS CB C 101 45.631 45.631 29.892 15.739 19282 2968 1 4 . 1 1 101 101 CYS H H 101 9.231 9.231 8.730 0.501 19282 2969 1 4 . 1 1 102 102 ALA N N 102 124.390 124.390 124.523 -0.133 19282 2970 1 4 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.152 0.228 19282 2971 1 4 . 1 1 102 102 ALA C C 102 175.442 175.442 175.674 -0.232 19282 2972 1 4 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.557 1.070 19282 2973 1 4 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.111 0.860 19282 2974 1 4 . 1 1 102 102 ALA H H 102 8.393 8.393 8.725 -0.332 19282 2975 1 4 . 1 1 103 103 ALA N N 103 120.824 120.824 123.644 -2.820 19282 2976 1 4 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.415 0.076 19282 2977 1 4 . 1 1 103 103 ALA C C 103 176.664 176.664 175.530 1.134 19282 2978 1 4 . 1 1 103 103 ALA CA C 103 50.383 50.383 49.975 0.408 19282 2979 1 4 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.616 0.396 19282 2980 1 4 . 1 1 103 103 ALA H H 103 8.859 8.859 9.137 -0.278 19282 2981 1 4 . 1 1 104 104 ILE N N 104 119.488 119.488 121.032 -1.544 19282 2982 1 4 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.672 -0.054 19282 2983 1 4 . 1 1 104 104 ILE C C 104 175.968 175.968 175.472 0.496 19282 2984 1 4 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.500 0.621 19282 2985 1 4 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.640 2.653 19282 2986 1 4 . 1 1 104 104 ILE H H 104 9.301 9.301 8.724 0.577 19282 2987 1 4 . 1 1 105 105 SER N N 105 121.988 121.988 122.668 -0.680 19282 2988 1 4 . 1 1 105 105 SER HA H 105 4.793 4.793 5.155 -0.362 19282 2989 1 4 . 1 1 105 105 SER C C 105 175.288 175.288 174.616 0.672 19282 2990 1 4 . 1 1 105 105 SER CA C 105 56.729 56.729 56.022 0.707 19282 2991 1 4 . 1 1 105 105 SER CB C 105 64.136 64.136 63.879 0.258 19282 2992 1 4 . 1 1 105 105 SER H H 105 8.747 8.747 8.687 0.060 19282 2993 1 4 . 1 1 106 106 GLY N N 106 117.934 117.934 118.518 -0.584 19282 2994 1 4 . 1 1 106 106 GLY C C 106 173.274 173.274 174.292 -1.018 19282 2995 1 4 . 1 1 106 106 GLY CA C 106 47.861 47.861 46.088 1.773 19282 2996 1 4 . 1 1 106 106 GLY H H 106 9.283 9.283 8.661 0.622 19282 2997 1 4 . 1 1 107 107 ASP N N 107 122.936 122.936 125.716 -2.780 19282 2998 1 4 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.746 -0.113 19282 2999 1 4 . 1 1 107 107 ASP C C 107 174.997 174.997 175.947 -0.950 19282 3000 1 4 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.356 -0.854 19282 3001 1 4 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.294 -0.366 19282 3002 1 4 . 1 1 107 107 ASP H H 107 8.420 8.420 8.448 -0.028 19282 3003 1 4 . 1 1 108 108 LYS N N 108 116.770 116.770 118.443 -1.673 19282 3004 1 4 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.685 0.039 19282 3005 1 4 . 1 1 108 108 LYS C C 108 173.949 173.949 174.823 -0.874 19282 3006 1 4 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.398 1.345 19282 3007 1 4 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.384 0.039 19282 3008 1 4 . 1 1 108 108 LYS H H 108 7.764 7.764 7.556 0.208 19282 3009 1 4 . 1 1 109 109 VAL N N 109 120.190 120.190 121.206 -1.016 19282 3010 1 4 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.842 -0.111 19282 3011 1 4 . 1 1 109 109 VAL C C 109 175.297 175.297 175.249 0.048 19282 3012 1 4 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.161 0.848 19282 3013 1 4 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.626 -0.630 19282 3014 1 4 . 1 1 109 109 VAL H H 109 8.315 8.315 8.635 -0.320 19282 3015 1 4 . 1 1 110 110 THR N N 110 121.358 121.358 117.354 4.004 19282 3016 1 4 . 1 1 110 110 THR HA H 110 4.765 4.765 4.710 0.055 19282 3017 1 4 . 1 1 110 110 THR C C 110 172.026 172.026 173.835 -1.809 19282 3018 1 4 . 1 1 110 110 THR CA C 110 59.150 59.150 59.613 -0.463 19282 3019 1 4 . 1 1 110 110 THR CB C 110 71.063 71.063 71.632 -0.568 19282 3020 1 4 . 1 1 110 110 THR H H 110 9.253 9.253 8.928 0.325 19282 3021 1 4 . 1 1 111 111 PHE N N 111 116.390 116.390 120.487 -4.097 19282 3022 1 4 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.631 -0.028 19282 3023 1 4 . 1 1 111 111 PHE C C 111 174.645 174.645 174.919 -0.274 19282 3024 1 4 . 1 1 111 111 PHE CA C 111 55.962 55.962 55.742 0.220 19282 3025 1 4 . 1 1 111 111 PHE CB C 111 41.976 41.976 40.881 1.095 19282 3026 1 4 . 1 1 111 111 PHE H H 111 7.934 7.934 8.047 -0.113 19282 3027 1 4 . 1 1 112 112 GLU N N 112 119.577 119.577 121.515 -1.938 19282 3028 1 4 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.784 0.136 19282 3029 1 4 . 1 1 112 112 GLU C C 112 175.303 175.303 175.676 -0.373 19282 3030 1 4 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.000 0.687 19282 3031 1 4 . 1 1 112 112 GLU CB C 112 34.154 34.154 33.525 0.629 19282 3032 1 4 . 1 1 112 112 GLU H H 112 9.266 9.266 9.574 -0.308 19282 3033 1 4 . 1 1 113 113 SER N N 113 114.911 114.911 116.331 -1.420 19282 3034 1 4 . 1 1 113 113 SER HA H 113 4.706 4.706 4.507 0.199 19282 3035 1 4 . 1 1 113 113 SER C C 113 178.063 178.063 175.657 2.406 19282 3036 1 4 . 1 1 113 113 SER CA C 113 59.218 59.218 59.771 -0.553 19282 3037 1 4 . 1 1 113 113 SER CB C 113 63.646 63.646 63.634 0.012 19282 3038 1 4 . 1 1 113 113 SER H H 113 8.880 8.880 8.786 0.094 19282 3039 1 4 . 1 1 114 114 CYS N N 114 125.039 125.039 123.171 1.868 19282 3040 1 4 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.746 0.525 19282 3041 1 4 . 1 1 114 114 CYS C C 114 174.382 174.382 175.846 -1.464 19282 3042 1 4 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.438 -0.786 19282 3043 1 4 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.925 19.699 19282 3044 1 4 . 1 1 114 114 CYS H H 114 9.143 9.143 9.117 0.026 19282 3045 1 4 . 1 1 115 115 ASN N N 115 116.644 116.644 114.916 1.728 19282 3046 1 4 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.619 0.457 19282 3047 1 4 . 1 1 115 115 ASN C C 115 175.268 175.268 174.887 0.381 19282 3048 1 4 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.275 -0.170 19282 3049 1 4 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.107 -0.022 19282 3050 1 4 . 1 1 115 115 ASN H H 115 8.251 8.251 8.298 -0.047 19282 3051 1 4 . 1 1 116 116 SER N N 116 117.296 117.296 115.941 1.355 19282 3052 1 4 . 1 1 116 116 SER HA H 116 4.509 4.509 4.531 -0.022 19282 3053 1 4 . 1 1 116 116 SER C C 116 170.342 170.342 174.134 -3.792 19282 3054 1 4 . 1 1 116 116 SER CA C 116 59.592 59.592 58.361 1.230 19282 3055 1 4 . 1 1 116 116 SER CB C 116 63.948 63.948 65.447 -1.499 19282 3056 1 4 . 1 1 116 116 SER H H 116 7.988 7.988 8.115 -0.127 19282 3057 1 4 . 1 1 117 117 ASP N N 117 119.393 119.393 123.900 -4.507 19282 3058 1 4 . 1 1 117 117 ASP HA H 117 4.833 4.833 4.931 -0.098 19282 3059 1 4 . 1 1 117 117 ASP C C 117 174.981 174.981 175.291 -0.310 19282 3060 1 4 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.461 -1.130 19282 3061 1 4 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.620 1.012 19282 3062 1 4 . 1 1 117 117 ASP H H 117 8.027 8.027 8.719 -0.692 19282 3063 1 4 . 1 1 118 118 ASN N N 118 121.127 121.127 124.502 -3.375 19282 3064 1 4 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.949 -0.009 19282 3065 1 4 . 1 1 118 118 ASN C C 118 176.169 176.169 174.351 1.818 19282 3066 1 4 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.267 -0.193 19282 3067 1 4 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.244 -1.012 19282 3068 1 4 . 1 1 118 118 ASN H H 118 8.634 8.634 9.028 -0.394 19282 3069 1 4 . 1 1 119 119 ARG N N 119 118.108 118.108 118.983 -0.875 19282 3070 1 4 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.838 -1.347 19282 3071 1 4 . 1 1 119 119 ARG C C 119 174.125 174.125 176.442 -2.317 19282 3072 1 4 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.714 0.954 19282 3073 1 4 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.249 0.093 19282 3074 1 4 . 1 1 119 119 ARG H H 119 6.943 6.943 8.671 -1.728 19282 3075 1 4 . 1 1 120 120 TRP N N 120 113.700 113.700 115.537 -1.837 19282 3076 1 4 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.392 0.333 19282 3077 1 4 . 1 1 120 120 TRP C C 120 173.109 173.109 173.774 -0.665 19282 3078 1 4 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.722 0.926 19282 3079 1 4 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.295 0.776 19282 3080 1 4 . 1 1 120 120 TRP H H 120 8.511 8.511 8.250 0.261 19282 3081 1 4 . 1 1 121 121 ILE N N 121 117.255 117.255 119.392 -2.137 19282 3082 1 4 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.728 0.610 19282 3083 1 4 . 1 1 121 121 ILE C C 121 176.617 176.617 175.056 1.561 19282 3084 1 4 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.547 -0.117 19282 3085 1 4 . 1 1 121 121 ILE CB C 121 41.408 41.408 41.038 0.369 19282 3086 1 4 . 1 1 121 121 ILE H H 121 7.551 7.551 8.741 -1.190 19282 3087 1 4 . 1 1 122 122 CYS N N 122 122.116 122.116 126.456 -4.340 19282 3088 1 4 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.426 0.578 19282 3089 1 4 . 1 1 122 122 CYS C C 122 174.897 174.897 173.945 0.952 19282 3090 1 4 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.445 -5.869 19282 3091 1 4 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.018 10.400 19282 3092 1 4 . 1 1 122 122 CYS H H 122 9.449 9.449 9.144 0.305 19282 3093 1 4 . 1 1 123 123 GLN N N 123 118.635 118.635 120.963 -2.328 19282 3094 1 4 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.099 0.128 19282 3095 1 4 . 1 1 123 123 GLN C C 123 174.014 174.014 174.617 -0.603 19282 3096 1 4 . 1 1 123 123 GLN CA C 123 53.829 53.829 53.989 -0.160 19282 3097 1 4 . 1 1 123 123 GLN CB C 123 34.972 34.972 32.978 1.994 19282 3098 1 4 . 1 1 123 123 GLN H H 123 10.073 10.073 9.637 0.436 19282 3099 1 4 . 1 1 124 124 LYS N N 124 121.677 121.677 122.554 -0.877 19282 3100 1 4 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.682 0.157 19282 3101 1 4 . 1 1 124 124 LYS C C 124 174.809 174.809 175.253 -0.444 19282 3102 1 4 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.722 0.681 19282 3103 1 4 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.052 2.525 19282 3104 1 4 . 1 1 124 124 LYS H H 124 9.115 9.115 9.249 -0.134 19282 3105 1 4 . 1 1 125 125 GLU N N 125 122.487 122.487 127.486 -4.999 19282 3106 1 4 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.263 0.312 19282 3107 1 4 . 1 1 125 125 GLU C C 125 176.057 176.057 175.620 0.437 19282 3108 1 4 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.002 -0.981 19282 3109 1 4 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.613 1.539 19282 3110 1 4 . 1 1 125 125 GLU H H 125 8.695 8.695 8.960 -0.265 19282 3111 1 4 . 1 1 126 126 LEU N N 126 123.898 123.898 127.813 -3.915 19282 3112 1 4 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.133 0.006 19282 3113 1 4 . 1 1 126 126 LEU C C 126 176.479 176.479 176.047 0.432 19282 3114 1 4 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.368 0.215 19282 3115 1 4 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.834 -0.209 19282 3116 1 4 . 1 1 126 126 LEU H H 126 8.332 8.332 8.341 -0.009 19282 3117 1 4 . 1 1 127 127 TYR N N 127 118.052 118.052 112.336 5.716 19282 3118 1 4 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.492 0.037 19282 3119 1 4 . 1 1 127 127 TYR C C 127 175.072 175.072 172.949 2.123 19282 3120 1 4 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.243 0.243 19282 3121 1 4 . 1 1 127 127 TYR CB C 127 38.869 38.869 41.985 -3.116 19282 3122 1 4 . 1 1 127 127 TYR H H 127 8.028 8.028 7.931 0.097 19282 3123 1 4 . 1 1 128 128 HIS N N 128 120.723 120.723 115.590 5.133 19282 3124 1 4 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.916 -0.332 19282 3125 1 4 . 1 1 128 128 HIS C C 128 174.487 174.487 173.419 1.068 19282 3126 1 4 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.463 1.225 19282 3127 1 4 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.157 -1.642 19282 3128 1 4 . 1 1 128 128 HIS H H 128 8.014 8.014 8.091 -0.077 19282 3129 1 4 . 1 1 129 129 GLU N N 129 122.855 122.855 122.791 0.064 19282 3130 1 4 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.767 -0.483 19282 3131 1 4 . 1 1 129 129 GLU C C 129 176.492 176.492 175.860 0.632 19282 3132 1 4 . 1 1 129 129 GLU CA C 129 56.817 56.817 55.158 1.659 19282 3133 1 4 . 1 1 129 129 GLU CB C 129 30.472 30.472 32.413 -1.941 19282 3134 1 4 . 1 1 129 129 GLU H H 129 8.424 8.424 8.673 -0.249 19282 3135 1 4 . 1 1 130 130 THR N N 130 116.228 116.228 117.958 -1.730 19282 3136 1 4 . 1 1 130 130 THR HA H 130 4.339 4.339 4.735 -0.396 19282 3137 1 4 . 1 1 130 130 THR C C 130 174.589 174.589 173.369 1.220 19282 3138 1 4 . 1 1 130 130 THR CA C 130 62.205 62.205 61.620 0.585 19282 3139 1 4 . 1 1 130 130 THR CB C 130 69.939 69.939 70.399 -0.460 19282 3140 1 4 . 1 1 130 130 THR H H 130 8.311 8.311 8.458 -0.147 19282 3141 1 4 . 1 1 131 131 LEU N N 131 124.856 124.856 126.016 -1.160 19282 3142 1 4 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.972 -0.562 19282 3143 1 4 . 1 1 131 131 LEU C C 131 177.438 177.438 176.163 1.275 19282 3144 1 4 . 1 1 131 131 LEU CA C 131 55.362 55.362 52.689 2.673 19282 3145 1 4 . 1 1 131 131 LEU CB C 131 42.356 42.356 43.167 -0.812 19282 3146 1 4 . 1 1 131 131 LEU H H 131 8.294 8.294 8.480 -0.186 19282 3147 1 4 . 1 1 132 132 SER N N 132 116.127 116.127 115.988 0.139 19282 3148 1 4 . 1 1 132 132 SER HA H 132 4.397 4.397 4.794 -0.397 19282 3149 1 4 . 1 1 132 132 SER C C 132 174.250 174.250 173.092 1.158 19282 3150 1 4 . 1 1 132 132 SER CA C 132 58.571 58.571 58.018 0.553 19282 3151 1 4 . 1 1 132 132 SER CB C 132 63.862 63.862 64.016 -0.154 19282 3152 1 4 . 1 1 132 132 SER H H 132 8.255 8.255 8.432 -0.177 19282 3153 1 4 . 1 1 133 133 ASN N N 133 120.181 120.181 122.021 -1.840 19282 3154 1 4 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.953 -0.261 19282 3155 1 4 . 1 1 133 133 ASN C C 133 174.658 174.658 173.560 1.098 19282 3156 1 4 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.702 -0.363 19282 3157 1 4 . 1 1 133 133 ASN CB C 133 38.838 38.838 42.176 -3.338 19282 3158 1 4 . 1 1 133 133 ASN H H 133 8.293 8.293 8.452 -0.159 19282 3159 1 4 . 1 1 134 134 TYR N N 134 120.605 120.605 121.094 -0.489 19282 3160 1 4 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.628 -0.055 19282 3161 1 4 . 1 1 134 134 TYR C C 134 175.726 175.726 174.627 1.099 19282 3162 1 4 . 1 1 134 134 TYR CA C 134 58.149 58.149 58.496 -0.347 19282 3163 1 4 . 1 1 134 134 TYR CB C 134 38.845 38.845 39.247 -0.402 19282 3164 1 4 . 1 1 134 134 TYR H H 134 8.067 8.067 8.589 -0.522 19282 3165 1 4 . 1 1 135 135 VAL N N 135 122.466 122.466 126.957 -4.491 19282 3166 1 4 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.751 0.296 19282 3167 1 4 . 1 1 135 135 VAL C C 135 176.130 176.130 176.152 -0.022 19282 3168 1 4 . 1 1 135 135 VAL CA C 135 62.546 62.546 63.025 -0.479 19282 3169 1 4 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.379 0.399 19282 3170 1 4 . 1 1 135 135 VAL H H 135 7.952 7.952 8.366 -0.414 19282 3171 1 4 . 1 1 136 136 GLY N N 136 111.336 111.336 106.513 4.823 19282 3172 1 4 . 1 1 136 136 GLY C C 136 173.652 173.652 175.151 -1.499 19282 3173 1 4 . 1 1 136 136 GLY CA C 136 45.218 45.218 45.565 -0.347 19282 3174 1 4 . 1 1 136 136 GLY H H 136 7.915 7.915 7.070 0.845 19282 3175 1 4 . 1 1 137 137 TYR N N 137 119.801 119.801 123.860 -4.059 19282 3176 1 4 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.563 0.001 19282 3177 1 4 . 1 1 137 137 TYR C C 137 176.375 176.375 177.313 -0.938 19282 3178 1 4 . 1 1 137 137 TYR CA C 137 58.168 58.168 59.137 -0.969 19282 3179 1 4 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.909 0.016 19282 3180 1 4 . 1 1 137 137 TYR H H 137 7.994 7.994 8.380 -0.386 19282 3181 1 4 . 1 1 138 138 GLY N N 138 110.979 110.979 106.679 4.300 19282 3182 1 4 . 1 1 138 138 GLY C C 138 173.159 173.159 173.134 0.025 19282 3183 1 4 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.002 0.373 19282 3184 1 4 . 1 1 138 138 GLY H H 138 8.345 8.345 8.034 0.311 19282 3185 1 5 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.233 0.151 19282 3186 1 5 . 1 1 2 2 ALA C C 2 177.184 177.184 177.859 -0.675 19282 3187 1 5 . 1 1 2 2 ALA CA C 2 52.459 52.459 53.322 -0.863 19282 3188 1 5 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.205 0.283 19282 3189 1 5 . 1 1 3 3 LYS N N 3 120.996 120.996 118.688 2.308 19282 3190 1 5 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.446 -0.127 19282 3191 1 5 . 1 1 3 3 LYS C C 3 176.038 176.038 176.046 -0.008 19282 3192 1 5 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.200 -0.012 19282 3193 1 5 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.675 0.587 19282 3194 1 5 . 1 1 3 3 LYS H H 3 8.272 8.272 7.671 0.601 19282 3195 1 5 . 1 1 4 4 LEU N N 4 124.847 124.847 119.382 5.465 19282 3196 1 5 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.467 -0.071 19282 3197 1 5 . 1 1 4 4 LEU C C 4 175.745 175.745 176.697 -0.952 19282 3198 1 5 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.358 1.434 19282 3199 1 5 . 1 1 4 4 LEU CB C 4 42.683 42.683 42.970 -0.287 19282 3200 1 5 . 1 1 4 4 LEU H H 4 8.247 8.247 7.979 0.268 19282 3201 1 5 . 1 1 5 5 GLU N N 5 120.599 120.599 119.007 1.592 19282 3202 1 5 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.732 -0.213 19282 3203 1 5 . 1 1 5 5 GLU C C 5 176.076 176.076 175.560 0.516 19282 3204 1 5 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.331 -0.334 19282 3205 1 5 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.713 1.640 19282 3206 1 5 . 1 1 5 5 GLU H H 5 8.093 8.093 8.360 -0.267 19282 3207 1 5 . 1 1 6 6 CYS N N 6 120.079 120.079 119.411 0.668 19282 3208 1 5 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.912 -0.176 19282 3209 1 5 . 1 1 6 6 CYS C C 6 172.237 172.237 172.612 -0.375 19282 3210 1 5 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.030 -1.812 19282 3211 1 5 . 1 1 6 6 CYS CB C 6 37.445 37.445 26.904 10.540 19282 3212 1 5 . 1 1 6 6 CYS H H 6 8.750 8.750 8.501 0.249 19282 3213 1 5 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.426 -0.077 19282 3214 1 5 . 1 1 7 7 PRO C C 7 176.014 176.014 177.667 -1.653 19282 3215 1 5 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.884 -0.412 19282 3216 1 5 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.270 -1.069 19282 3217 1 5 . 1 1 8 8 GLN N N 8 120.940 120.940 118.928 2.012 19282 3218 1 5 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.087 0.021 19282 3219 1 5 . 1 1 8 8 GLN C C 8 176.701 176.701 175.848 0.853 19282 3220 1 5 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.279 -0.194 19282 3221 1 5 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.781 0.062 19282 3222 1 5 . 1 1 8 8 GLN H H 8 8.443 8.443 8.640 -0.197 19282 3223 1 5 . 1 1 9 9 ASP N N 9 116.982 116.982 119.079 -2.097 19282 3224 1 5 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.876 -0.360 19282 3225 1 5 . 1 1 9 9 ASP C C 9 176.201 176.201 175.047 1.154 19282 3226 1 5 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.456 2.156 19282 3227 1 5 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.747 -1.335 19282 3228 1 5 . 1 1 9 9 ASP H H 9 9.023 9.023 8.516 0.507 19282 3229 1 5 . 1 1 10 10 TRP N N 10 121.568 121.568 119.204 2.364 19282 3230 1 5 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.287 -0.224 19282 3231 1 5 . 1 1 10 10 TRP C C 10 175.997 175.997 176.131 -0.134 19282 3232 1 5 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.278 1.386 19282 3233 1 5 . 1 1 10 10 TRP CB C 10 29.075 29.075 32.106 -3.031 19282 3234 1 5 . 1 1 10 10 TRP H H 10 8.440 8.440 7.792 0.648 19282 3235 1 5 . 1 1 11 11 LEU N N 11 123.195 123.195 125.338 -2.143 19282 3236 1 5 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.766 -0.002 19282 3237 1 5 . 1 1 11 11 LEU C C 11 176.837 176.837 176.654 0.183 19282 3238 1 5 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.737 0.870 19282 3239 1 5 . 1 1 11 11 LEU CB C 11 44.386 44.386 42.010 2.376 19282 3240 1 5 . 1 1 11 11 LEU H H 11 9.613 9.613 9.466 0.147 19282 3241 1 5 . 1 1 12 12 SER N N 12 116.705 116.705 120.982 -4.277 19282 3242 1 5 . 1 1 12 12 SER HA H 12 5.389 5.389 4.620 0.769 19282 3243 1 5 . 1 1 12 12 SER C C 12 174.164 174.164 174.046 0.118 19282 3244 1 5 . 1 1 12 12 SER CA C 12 57.066 57.066 57.873 -0.807 19282 3245 1 5 . 1 1 12 12 SER CB C 12 65.488 65.488 63.610 1.878 19282 3246 1 5 . 1 1 12 12 SER H H 12 8.733 8.733 8.737 -0.004 19282 3247 1 5 . 1 1 13 13 HIS N N 13 123.615 123.615 127.215 -3.600 19282 3248 1 5 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.344 -0.039 19282 3249 1 5 . 1 1 13 13 HIS C C 13 173.536 173.536 174.291 -0.755 19282 3250 1 5 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.731 1.546 19282 3251 1 5 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.306 0.646 19282 3252 1 5 . 1 1 13 13 HIS H H 13 8.303 8.303 8.707 -0.404 19282 3253 1 5 . 1 1 14 14 ARG N N 14 125.609 125.609 124.637 0.972 19282 3254 1 5 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.595 -0.073 19282 3255 1 5 . 1 1 14 14 ARG C C 14 175.434 175.434 175.545 -0.111 19282 3256 1 5 . 1 1 14 14 ARG CA C 14 58.414 58.414 59.104 -0.690 19282 3257 1 5 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.718 -0.937 19282 3258 1 5 . 1 1 14 14 ARG H H 14 8.858 8.858 8.807 0.051 19282 3259 1 5 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.840 -0.077 19282 3260 1 5 . 1 1 15 15 ASP C C 15 174.250 174.250 174.733 -0.483 19282 3261 1 5 . 1 1 15 15 ASP CA C 15 54.485 54.485 53.670 0.815 19282 3262 1 5 . 1 1 15 15 ASP CB C 15 40.448 40.448 42.539 -2.091 19282 3263 1 5 . 1 1 16 16 LYS N N 16 118.266 118.266 118.145 0.121 19282 3264 1 5 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.786 0.230 19282 3265 1 5 . 1 1 16 16 LYS C C 16 175.472 175.472 173.688 1.784 19282 3266 1 5 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.855 0.709 19282 3267 1 5 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.335 0.970 19282 3268 1 5 . 1 1 16 16 LYS H H 16 8.289 8.289 7.853 0.436 19282 3269 1 5 . 1 1 17 17 CYS N N 17 118.232 118.232 119.191 -0.959 19282 3270 1 5 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.220 0.714 19282 3271 1 5 . 1 1 17 17 CYS C C 17 174.859 174.859 173.201 1.658 19282 3272 1 5 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.229 -4.682 19282 3273 1 5 . 1 1 17 17 CYS CB C 17 43.197 43.197 28.910 14.287 19282 3274 1 5 . 1 1 17 17 CYS H H 17 8.492 8.492 8.340 0.152 19282 3275 1 5 . 1 1 18 18 PHE N N 18 121.121 121.121 125.409 -4.288 19282 3276 1 5 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.691 0.555 19282 3277 1 5 . 1 1 18 18 PHE C C 18 174.238 174.238 174.743 -0.505 19282 3278 1 5 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.934 1.493 19282 3279 1 5 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.437 0.753 19282 3280 1 5 . 1 1 18 18 PHE H H 18 10.029 10.029 9.364 0.665 19282 3281 1 5 . 1 1 19 19 HIS N N 19 122.393 122.393 119.614 2.779 19282 3282 1 5 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.525 -0.162 19282 3283 1 5 . 1 1 19 19 HIS C C 19 172.933 172.933 172.952 -0.019 19282 3284 1 5 . 1 1 19 19 HIS CA C 19 55.082 55.082 55.271 -0.189 19282 3285 1 5 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.202 -1.803 19282 3286 1 5 . 1 1 19 19 HIS H H 19 8.624 8.624 9.204 -0.580 19282 3287 1 5 . 1 1 20 20 VAL N N 20 128.351 128.351 128.253 0.098 19282 3288 1 5 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.935 0.256 19282 3289 1 5 . 1 1 20 20 VAL C C 20 174.971 174.971 175.094 -0.123 19282 3290 1 5 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.205 -1.156 19282 3291 1 5 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.064 1.044 19282 3292 1 5 . 1 1 20 20 VAL H H 20 7.880 7.880 8.154 -0.274 19282 3293 1 5 . 1 1 21 21 SER N N 21 123.985 123.985 124.715 -0.730 19282 3294 1 5 . 1 1 21 21 SER HA H 21 3.904 3.904 4.182 -0.278 19282 3295 1 5 . 1 1 21 21 SER C C 21 173.842 173.842 174.401 -0.559 19282 3296 1 5 . 1 1 21 21 SER CA C 21 59.417 59.417 57.969 1.448 19282 3297 1 5 . 1 1 21 21 SER CB C 21 62.993 62.993 62.730 0.263 19282 3298 1 5 . 1 1 21 21 SER H H 21 8.802 8.802 8.290 0.512 19282 3299 1 5 . 1 1 22 22 GLN N N 22 118.390 118.390 124.315 -5.925 19282 3300 1 5 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.374 -0.101 19282 3301 1 5 . 1 1 22 22 GLN C C 22 175.650 175.650 174.897 0.753 19282 3302 1 5 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.331 0.395 19282 3303 1 5 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.673 1.369 19282 3304 1 5 . 1 1 22 22 GLN H H 22 8.866 8.866 8.516 0.350 19282 3305 1 5 . 1 1 23 23 VAL N N 23 113.258 113.258 112.612 0.646 19282 3306 1 5 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.298 0.016 19282 3307 1 5 . 1 1 23 23 VAL C C 23 172.691 172.691 174.795 -2.104 19282 3308 1 5 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.864 -0.078 19282 3309 1 5 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.078 1.290 19282 3310 1 5 . 1 1 23 23 VAL H H 23 6.897 6.897 7.093 -0.196 19282 3311 1 5 . 1 1 24 24 SER N N 24 115.205 115.205 119.492 -4.287 19282 3312 1 5 . 1 1 24 24 SER HA H 24 4.894 4.894 5.165 -0.271 19282 3313 1 5 . 1 1 24 24 SER C C 24 173.846 173.846 174.080 -0.234 19282 3314 1 5 . 1 1 24 24 SER CA C 24 56.040 56.040 58.067 -2.027 19282 3315 1 5 . 1 1 24 24 SER CB C 24 65.361 65.361 65.201 0.160 19282 3316 1 5 . 1 1 24 24 SER H H 24 8.125 8.125 8.399 -0.274 19282 3317 1 5 . 1 1 25 25 ASN N N 25 122.669 122.669 120.531 2.138 19282 3318 1 5 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.212 -0.124 19282 3319 1 5 . 1 1 25 25 ASN C C 25 175.285 175.285 174.287 0.998 19282 3320 1 5 . 1 1 25 25 ASN CA C 25 53.030 53.030 51.771 1.259 19282 3321 1 5 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.729 -1.194 19282 3322 1 5 . 1 1 25 25 ASN H H 25 9.854 9.854 9.542 0.312 19282 3323 1 5 . 1 1 26 26 THR N N 26 113.569 113.569 113.093 0.476 19282 3324 1 5 . 1 1 26 26 THR HA H 26 5.520 5.520 5.109 0.411 19282 3325 1 5 . 1 1 26 26 THR C C 26 174.350 174.350 175.694 -1.344 19282 3326 1 5 . 1 1 26 26 THR CA C 26 61.930 61.930 61.541 0.389 19282 3327 1 5 . 1 1 26 26 THR CB C 26 70.719 70.719 69.689 1.030 19282 3328 1 5 . 1 1 26 26 THR H H 26 9.718 9.718 8.271 1.447 19282 3329 1 5 . 1 1 27 27 TRP N N 27 121.857 121.857 124.382 -2.525 19282 3330 1 5 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.188 -0.571 19282 3331 1 5 . 1 1 27 27 TRP C C 27 177.624 177.624 177.228 0.396 19282 3332 1 5 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.650 0.001 19282 3333 1 5 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.038 1.391 19282 3334 1 5 . 1 1 27 27 TRP H H 27 7.836 7.836 8.480 -0.644 19282 3335 1 5 . 1 1 28 28 GLU N N 28 114.949 114.949 117.494 -2.545 19282 3336 1 5 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.683 0.025 19282 3337 1 5 . 1 1 28 28 GLU C C 28 178.928 178.928 178.912 0.016 19282 3338 1 5 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.709 -0.120 19282 3339 1 5 . 1 1 28 28 GLU CB C 28 29.480 29.480 28.966 0.514 19282 3340 1 5 . 1 1 28 28 GLU H H 28 8.827 8.827 8.585 0.242 19282 3341 1 5 . 1 1 29 29 GLU N N 29 118.462 118.462 119.092 -0.630 19282 3342 1 5 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.930 -0.004 19282 3343 1 5 . 1 1 29 29 GLU C C 29 179.587 179.587 179.018 0.569 19282 3344 1 5 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.794 -0.225 19282 3345 1 5 . 1 1 29 29 GLU CB C 29 28.133 28.133 28.860 -0.727 19282 3346 1 5 . 1 1 29 29 GLU H H 29 7.259 7.259 8.054 -0.795 19282 3347 1 5 . 1 1 30 30 GLY N N 30 112.186 112.186 107.641 4.545 19282 3348 1 5 . 1 1 30 30 GLY C C 30 173.516 173.516 175.635 -2.119 19282 3349 1 5 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.810 -0.068 19282 3350 1 5 . 1 1 30 30 GLY H H 30 7.871 7.871 8.017 -0.146 19282 3351 1 5 . 1 1 31 31 LEU N N 31 122.216 122.216 122.968 -0.752 19282 3352 1 5 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.771 -0.426 19282 3353 1 5 . 1 1 31 31 LEU C C 31 179.828 179.828 178.432 1.396 19282 3354 1 5 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.449 1.506 19282 3355 1 5 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.129 0.346 19282 3356 1 5 . 1 1 31 31 LEU H H 31 7.610 7.610 7.428 0.182 19282 3357 1 5 . 1 1 32 32 VAL N N 32 118.301 118.301 118.825 -0.524 19282 3358 1 5 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.537 0.114 19282 3359 1 5 . 1 1 32 32 VAL C C 32 179.041 179.041 178.177 0.864 19282 3360 1 5 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.233 -0.366 19282 3361 1 5 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.368 0.608 19282 3362 1 5 . 1 1 32 32 VAL H H 32 7.571 7.571 7.412 0.159 19282 3363 1 5 . 1 1 33 33 ASP N N 33 123.085 123.085 120.582 2.503 19282 3364 1 5 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.447 -0.070 19282 3365 1 5 . 1 1 33 33 ASP C C 33 179.766 179.766 178.773 0.993 19282 3366 1 5 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.131 0.006 19282 3367 1 5 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.713 2.722 19282 3368 1 5 . 1 1 33 33 ASP H H 33 7.924 7.924 7.860 0.064 19282 3369 1 5 . 1 1 34 34 CYS N N 34 115.181 115.181 117.618 -2.437 19282 3370 1 5 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.458 0.046 19282 3371 1 5 . 1 1 34 34 CYS C C 34 177.697 177.697 177.082 0.615 19282 3372 1 5 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.614 -5.545 19282 3373 1 5 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.325 8.096 19282 3374 1 5 . 1 1 34 34 CYS H H 34 8.486 8.486 7.781 0.705 19282 3375 1 5 . 1 1 35 35 ASP N N 35 123.300 123.300 121.317 1.983 19282 3376 1 5 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.640 0.114 19282 3377 1 5 . 1 1 35 35 ASP C C 35 180.457 180.457 179.433 1.024 19282 3378 1 5 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.602 0.668 19282 3379 1 5 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.301 1.842 19282 3380 1 5 . 1 1 35 35 ASP H H 35 8.458 8.458 8.139 0.319 19282 3381 1 5 . 1 1 36 36 GLY N N 36 107.140 107.140 109.121 -1.981 19282 3382 1 5 . 1 1 36 36 GLY C C 36 175.345 175.345 175.559 -0.214 19282 3383 1 5 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.906 -0.030 19282 3384 1 5 . 1 1 36 36 GLY H H 36 8.281 8.281 8.343 -0.062 19282 3385 1 5 . 1 1 37 37 LYS N N 37 119.450 119.450 119.947 -0.497 19282 3386 1 5 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.434 0.112 19282 3387 1 5 . 1 1 37 37 LYS C C 37 176.415 176.415 176.150 0.265 19282 3388 1 5 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.724 1.106 19282 3389 1 5 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.127 1.627 19282 3390 1 5 . 1 1 37 37 LYS H H 37 7.587 7.587 7.794 -0.207 19282 3391 1 5 . 1 1 38 38 GLY N N 38 109.781 109.781 107.040 2.741 19282 3392 1 5 . 1 1 38 38 GLY C C 38 174.144 174.144 173.506 0.638 19282 3393 1 5 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.450 1.341 19282 3394 1 5 . 1 1 38 38 GLY H H 38 8.205 8.205 7.950 0.255 19282 3395 1 5 . 1 1 39 39 ALA N N 39 123.317 123.317 121.372 1.945 19282 3396 1 5 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.181 -0.065 19282 3397 1 5 . 1 1 39 39 ALA C C 39 174.817 174.817 175.617 -0.800 19282 3398 1 5 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.473 -0.299 19282 3399 1 5 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.477 2.676 19282 3400 1 5 . 1 1 39 39 ALA H H 39 8.107 8.107 7.698 0.409 19282 3401 1 5 . 1 1 40 40 THR N N 40 108.747 108.747 111.002 -2.255 19282 3402 1 5 . 1 1 40 40 THR HA H 40 5.080 5.080 4.693 0.387 19282 3403 1 5 . 1 1 40 40 THR C C 40 175.723 175.723 173.956 1.767 19282 3404 1 5 . 1 1 40 40 THR CA C 40 60.173 60.173 59.546 0.627 19282 3405 1 5 . 1 1 40 40 THR CB C 40 72.452 72.452 71.746 0.706 19282 3406 1 5 . 1 1 40 40 THR H H 40 8.566 8.566 9.060 -0.494 19282 3407 1 5 . 1 1 41 41 LEU N N 41 123.750 123.750 124.189 -0.439 19282 3408 1 5 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.636 0.418 19282 3409 1 5 . 1 1 41 41 LEU C C 41 177.800 177.800 177.431 0.369 19282 3410 1 5 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.197 1.479 19282 3411 1 5 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.944 1.680 19282 3412 1 5 . 1 1 41 41 LEU H H 41 7.791 7.791 8.559 -0.768 19282 3413 1 5 . 1 1 42 42 MET N N 42 116.452 116.452 127.559 -11.107 19282 3414 1 5 . 1 1 42 42 MET HA H 42 4.098 4.098 4.345 -0.247 19282 3415 1 5 . 1 1 42 42 MET C C 42 174.097 174.097 174.532 -0.435 19282 3416 1 5 . 1 1 42 42 MET CA C 42 57.887 57.887 56.114 1.772 19282 3417 1 5 . 1 1 42 42 MET CB C 42 34.299 34.299 32.178 2.122 19282 3418 1 5 . 1 1 42 42 MET H H 42 7.983 7.983 9.031 -1.048 19282 3419 1 5 . 1 1 43 43 LEU N N 43 128.106 128.106 128.338 -0.232 19282 3420 1 5 . 1 1 43 43 LEU HA H 43 4.517 4.517 4.009 0.508 19282 3421 1 5 . 1 1 43 43 LEU C C 43 174.928 174.928 175.143 -0.215 19282 3422 1 5 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.410 1.123 19282 3423 1 5 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.176 1.651 19282 3424 1 5 . 1 1 43 43 LEU H H 43 8.078 8.078 8.414 -0.336 19282 3425 1 5 . 1 1 44 44 ILE N N 44 118.686 118.686 123.570 -4.884 19282 3426 1 5 . 1 1 44 44 ILE HA H 44 4.202 4.202 4.001 0.201 19282 3427 1 5 . 1 1 44 44 ILE C C 44 175.736 175.736 175.782 -0.046 19282 3428 1 5 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.770 -0.719 19282 3429 1 5 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.997 -0.829 19282 3430 1 5 . 1 1 44 44 ILE H H 44 5.273 5.273 7.533 -2.260 19282 3431 1 5 . 1 1 45 45 GLN N N 45 127.754 127.754 123.793 3.961 19282 3432 1 5 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.462 -0.283 19282 3433 1 5 . 1 1 45 45 GLN C C 45 175.402 175.402 175.359 0.043 19282 3434 1 5 . 1 1 45 45 GLN CA C 45 57.103 57.103 56.689 0.414 19282 3435 1 5 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.190 0.643 19282 3436 1 5 . 1 1 45 45 GLN H H 45 9.722 9.722 8.549 1.173 19282 3437 1 5 . 1 1 46 46 ASP N N 46 114.490 114.490 116.038 -1.548 19282 3438 1 5 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.876 -0.232 19282 3439 1 5 . 1 1 46 46 ASP C C 46 175.286 175.286 175.539 -0.253 19282 3440 1 5 . 1 1 46 46 ASP CA C 46 53.256 53.256 52.717 0.539 19282 3441 1 5 . 1 1 46 46 ASP CB C 46 42.752 42.752 43.043 -0.291 19282 3442 1 5 . 1 1 46 46 ASP H H 46 7.545 7.545 7.416 0.129 19282 3443 1 5 . 1 1 47 47 GLN N N 47 118.745 118.745 119.555 -0.810 19282 3444 1 5 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.164 -0.161 19282 3445 1 5 . 1 1 47 47 GLN C C 47 177.858 177.858 177.666 0.192 19282 3446 1 5 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.750 0.245 19282 3447 1 5 . 1 1 47 47 GLN CB C 47 28.468 28.468 29.029 -0.561 19282 3448 1 5 . 1 1 47 47 GLN H H 47 8.954 8.954 8.740 0.214 19282 3449 1 5 . 1 1 48 48 GLU N N 48 121.721 121.721 119.373 2.348 19282 3450 1 5 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.062 0.020 19282 3451 1 5 . 1 1 48 48 GLU C C 48 179.073 179.073 179.019 0.054 19282 3452 1 5 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.430 0.520 19282 3453 1 5 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.416 -0.669 19282 3454 1 5 . 1 1 48 48 GLU H H 48 8.532 8.532 8.681 -0.149 19282 3455 1 5 . 1 1 49 49 GLU N N 49 120.709 120.709 119.751 0.958 19282 3456 1 5 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.396 -0.620 19282 3457 1 5 . 1 1 49 49 GLU C C 49 177.707 177.707 179.148 -1.441 19282 3458 1 5 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.061 0.768 19282 3459 1 5 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.327 1.300 19282 3460 1 5 . 1 1 49 49 GLU H H 49 8.336 8.336 7.758 0.578 19282 3461 1 5 . 1 1 50 50 LEU N N 50 118.070 118.070 119.397 -1.327 19282 3462 1 5 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.939 -0.002 19282 3463 1 5 . 1 1 50 50 LEU C C 50 177.342 177.342 178.820 -1.478 19282 3464 1 5 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.761 0.514 19282 3465 1 5 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.419 0.286 19282 3466 1 5 . 1 1 50 50 LEU H H 50 7.175 7.175 7.445 -0.270 19282 3467 1 5 . 1 1 51 51 ARG N N 51 117.898 117.898 119.709 -1.811 19282 3468 1 5 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.019 -0.212 19282 3469 1 5 . 1 1 51 51 ARG C C 51 177.876 177.876 178.835 -0.959 19282 3470 1 5 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.522 0.851 19282 3471 1 5 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.467 0.461 19282 3472 1 5 . 1 1 51 51 ARG H H 51 8.135 8.135 8.461 -0.326 19282 3473 1 5 . 1 1 52 52 PHE N N 52 118.865 118.865 121.451 -2.586 19282 3474 1 5 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.292 -0.164 19282 3475 1 5 . 1 1 52 52 PHE C C 52 178.379 178.379 177.506 0.873 19282 3476 1 5 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.313 0.967 19282 3477 1 5 . 1 1 52 52 PHE CB C 52 38.514 38.514 38.999 -0.485 19282 3478 1 5 . 1 1 52 52 PHE H H 52 8.003 8.003 7.797 0.206 19282 3479 1 5 . 1 1 53 53 LEU N N 53 122.451 122.451 122.196 0.255 19282 3480 1 5 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.822 -0.418 19282 3481 1 5 . 1 1 53 53 LEU C C 53 178.870 178.870 179.020 -0.150 19282 3482 1 5 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.624 -0.328 19282 3483 1 5 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.756 0.575 19282 3484 1 5 . 1 1 53 53 LEU H H 53 7.824 7.824 7.990 -0.166 19282 3485 1 5 . 1 1 54 54 LEU N N 54 117.828 117.828 118.784 -0.956 19282 3486 1 5 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.779 0.008 19282 3487 1 5 . 1 1 54 54 LEU C C 54 179.783 179.783 179.489 0.294 19282 3488 1 5 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.024 -0.091 19282 3489 1 5 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.940 -0.009 19282 3490 1 5 . 1 1 54 54 LEU H H 54 8.361 8.361 8.617 -0.256 19282 3491 1 5 . 1 1 55 55 ASP N N 55 116.846 116.846 118.407 -1.561 19282 3492 1 5 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.341 0.036 19282 3493 1 5 . 1 1 55 55 ASP C C 55 177.824 177.824 177.858 -0.034 19282 3494 1 5 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.860 -0.628 19282 3495 1 5 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.465 0.368 19282 3496 1 5 . 1 1 55 55 ASP H H 55 7.933 7.933 7.731 0.202 19282 3497 1 5 . 1 1 56 56 SER N N 56 114.399 114.399 114.965 -0.566 19282 3498 1 5 . 1 1 56 56 SER HA H 56 4.122 4.122 4.140 -0.018 19282 3499 1 5 . 1 1 56 56 SER C C 56 174.277 174.277 176.332 -2.055 19282 3500 1 5 . 1 1 56 56 SER CA C 56 60.677 60.677 60.221 0.456 19282 3501 1 5 . 1 1 56 56 SER CB C 56 63.675 63.675 63.781 -0.106 19282 3502 1 5 . 1 1 56 56 SER H H 56 7.441 7.441 7.470 -0.029 19282 3503 1 5 . 1 1 57 57 ILE N N 57 121.159 121.159 121.839 -0.680 19282 3504 1 5 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.535 0.262 19282 3505 1 5 . 1 1 57 57 ILE C C 57 175.873 175.873 177.313 -1.440 19282 3506 1 5 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.941 -1.130 19282 3507 1 5 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.396 1.170 19282 3508 1 5 . 1 1 57 57 ILE H H 57 7.378 7.378 8.325 -0.947 19282 3509 1 5 . 1 1 58 58 LYS N N 58 124.292 124.292 118.088 6.204 19282 3510 1 5 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.820 0.344 19282 3511 1 5 . 1 1 58 58 LYS C C 58 177.266 177.266 177.143 0.123 19282 3512 1 5 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.763 -1.439 19282 3513 1 5 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.384 1.906 19282 3514 1 5 . 1 1 58 58 LYS H H 58 8.218 8.218 7.533 0.685 19282 3515 1 5 . 1 1 59 59 GLU N N 59 119.807 119.807 119.336 0.471 19282 3516 1 5 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.283 0.068 19282 3517 1 5 . 1 1 59 59 GLU C C 59 176.023 176.023 177.980 -1.957 19282 3518 1 5 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.433 -2.519 19282 3519 1 5 . 1 1 59 59 GLU CB C 59 28.831 28.831 30.339 -1.508 19282 3520 1 5 . 1 1 59 59 GLU H H 59 7.761 7.761 8.348 -0.587 19282 3521 1 5 . 1 1 60 60 LYS N N 60 120.606 120.606 114.267 6.339 19282 3522 1 5 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.949 0.208 19282 3523 1 5 . 1 1 60 60 LYS C C 60 176.229 176.229 177.899 -1.670 19282 3524 1 5 . 1 1 60 60 LYS CA C 60 57.008 57.008 59.121 -2.113 19282 3525 1 5 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.420 2.011 19282 3526 1 5 . 1 1 60 60 LYS H H 60 8.051 8.051 8.377 -0.326 19282 3527 1 5 . 1 1 61 61 TYR N N 61 115.876 115.876 118.376 -2.500 19282 3528 1 5 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.243 0.351 19282 3529 1 5 . 1 1 61 61 TYR C C 61 175.714 175.714 176.402 -0.688 19282 3530 1 5 . 1 1 61 61 TYR CA C 61 57.110 57.110 59.450 -2.340 19282 3531 1 5 . 1 1 61 61 TYR CB C 61 37.499 37.499 38.037 -0.538 19282 3532 1 5 . 1 1 61 61 TYR H H 61 7.756 7.756 8.240 -0.484 19282 3533 1 5 . 1 1 62 62 ASN N N 62 118.634 118.634 116.638 1.996 19282 3534 1 5 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.520 0.210 19282 3535 1 5 . 1 1 62 62 ASN C C 62 173.016 173.016 173.370 -0.354 19282 3536 1 5 . 1 1 62 62 ASN CA C 62 52.654 52.654 53.298 -0.644 19282 3537 1 5 . 1 1 62 62 ASN CB C 62 41.378 41.378 40.069 1.310 19282 3538 1 5 . 1 1 62 62 ASN H H 62 7.477 7.477 7.772 -0.295 19282 3539 1 5 . 1 1 63 63 SER N N 63 115.211 115.211 114.576 0.635 19282 3540 1 5 . 1 1 63 63 SER HA H 63 5.256 5.256 5.043 0.213 19282 3541 1 5 . 1 1 63 63 SER C C 63 172.817 172.817 172.404 0.413 19282 3542 1 5 . 1 1 63 63 SER CA C 63 57.506 57.506 57.332 0.174 19282 3543 1 5 . 1 1 63 63 SER CB C 63 63.821 63.821 65.058 -1.237 19282 3544 1 5 . 1 1 63 63 SER H H 63 8.107 8.107 7.735 0.372 19282 3545 1 5 . 1 1 64 64 PHE N N 64 118.959 118.959 121.922 -2.963 19282 3546 1 5 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.064 -0.476 19282 3547 1 5 . 1 1 64 64 PHE C C 64 175.495 175.495 175.539 -0.044 19282 3548 1 5 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.798 -0.356 19282 3549 1 5 . 1 1 64 64 PHE CB C 64 42.226 42.226 40.682 1.544 19282 3550 1 5 . 1 1 64 64 PHE H H 64 8.735 8.735 8.579 0.156 19282 3551 1 5 . 1 1 65 65 TRP N N 65 124.651 124.651 125.472 -0.821 19282 3552 1 5 . 1 1 65 65 TRP HA H 65 5.743 5.743 5.009 0.734 19282 3553 1 5 . 1 1 65 65 TRP C C 65 175.951 175.951 176.879 -0.928 19282 3554 1 5 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.316 -0.238 19282 3555 1 5 . 1 1 65 65 TRP CB C 65 32.676 32.676 29.962 2.713 19282 3556 1 5 . 1 1 65 65 TRP H H 65 10.282 10.282 9.129 1.153 19282 3557 1 5 . 1 1 66 66 ILE N N 66 109.430 109.430 116.313 -6.883 19282 3558 1 5 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.168 0.106 19282 3559 1 5 . 1 1 66 66 ILE C C 66 177.380 177.380 177.248 0.132 19282 3560 1 5 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.087 1.510 19282 3561 1 5 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.770 0.994 19282 3562 1 5 . 1 1 66 66 ILE H H 66 8.443 8.443 8.832 -0.389 19282 3563 1 5 . 1 1 67 67 GLY N N 67 111.319 111.319 110.345 0.974 19282 3564 1 5 . 1 1 67 67 GLY C C 67 172.897 172.897 173.281 -0.384 19282 3565 1 5 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.915 4.080 19282 3566 1 5 . 1 1 67 67 GLY H H 67 10.395 10.395 9.186 1.209 19282 3567 1 5 . 1 1 68 68 LEU N N 68 127.499 127.499 121.907 5.592 19282 3568 1 5 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.714 0.170 19282 3569 1 5 . 1 1 68 68 LEU C C 68 173.367 173.367 175.326 -1.959 19282 3570 1 5 . 1 1 68 68 LEU CA C 68 54.637 54.637 53.763 0.874 19282 3571 1 5 . 1 1 68 68 LEU CB C 68 46.081 46.081 44.405 1.676 19282 3572 1 5 . 1 1 68 68 LEU H H 68 8.446 8.446 8.626 -0.180 19282 3573 1 5 . 1 1 69 69 ARG N N 69 124.432 124.432 121.012 3.420 19282 3574 1 5 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.811 0.099 19282 3575 1 5 . 1 1 69 69 ARG C C 69 173.026 173.026 173.822 -0.796 19282 3576 1 5 . 1 1 69 69 ARG CA C 69 55.478 55.478 54.073 1.405 19282 3577 1 5 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.246 1.098 19282 3578 1 5 . 1 1 69 69 ARG H H 69 8.479 8.479 8.569 -0.090 19282 3579 1 5 . 1 1 70 70 TYR N N 70 128.687 128.687 126.817 1.870 19282 3580 1 5 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.753 0.123 19282 3581 1 5 . 1 1 70 70 TYR C C 70 175.118 175.118 174.184 0.934 19282 3582 1 5 . 1 1 70 70 TYR CA C 70 57.747 57.747 56.588 1.159 19282 3583 1 5 . 1 1 70 70 TYR CB C 70 38.231 38.231 37.588 0.643 19282 3584 1 5 . 1 1 70 70 TYR H H 70 7.936 7.936 8.466 -0.530 19282 3585 1 5 . 1 1 71 71 THR N N 71 120.097 120.097 120.557 -0.460 19282 3586 1 5 . 1 1 71 71 THR HA H 71 4.477 4.477 4.371 0.106 19282 3587 1 5 . 1 1 71 71 THR C C 71 172.547 172.547 173.085 -0.538 19282 3588 1 5 . 1 1 71 71 THR CA C 71 60.631 60.631 60.374 0.257 19282 3589 1 5 . 1 1 71 71 THR CB C 71 71.324 71.324 69.955 1.369 19282 3590 1 5 . 1 1 71 71 THR H H 71 7.701 7.701 8.320 -0.619 19282 3591 1 5 . 1 1 72 72 LEU N N 72 125.241 125.241 125.070 0.171 19282 3592 1 5 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.708 -0.442 19282 3593 1 5 . 1 1 72 72 LEU C C 72 175.916 175.916 174.762 1.154 19282 3594 1 5 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.629 1.245 19282 3595 1 5 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.059 -1.239 19282 3596 1 5 . 1 1 72 72 LEU H H 72 8.487 8.487 8.496 -0.009 19282 3597 1 5 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.559 -0.150 19282 3598 1 5 . 1 1 73 73 PRO C C 73 176.278 176.278 175.368 0.910 19282 3599 1 5 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.776 0.773 19282 3600 1 5 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.340 1.796 19282 3601 1 5 . 1 1 74 74 ASP N N 74 123.018 123.018 123.345 -0.327 19282 3602 1 5 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.447 -0.290 19282 3603 1 5 . 1 1 74 74 ASP C C 74 175.592 175.592 175.584 0.008 19282 3604 1 5 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.542 1.986 19282 3605 1 5 . 1 1 74 74 ASP CB C 74 39.688 39.688 42.829 -3.141 19282 3606 1 5 . 1 1 74 74 ASP H H 74 8.716 8.716 8.015 0.701 19282 3607 1 5 . 1 1 75 75 MET N N 75 113.361 113.361 114.497 -1.136 19282 3608 1 5 . 1 1 75 75 MET HA H 75 3.319 3.319 3.502 -0.183 19282 3609 1 5 . 1 1 75 75 MET C C 75 174.354 174.354 173.512 0.842 19282 3610 1 5 . 1 1 75 75 MET CA C 75 56.042 56.042 56.893 -0.851 19282 3611 1 5 . 1 1 75 75 MET CB C 75 29.181 29.181 30.678 -1.497 19282 3612 1 5 . 1 1 75 75 MET H H 75 8.421 8.421 8.114 0.307 19282 3613 1 5 . 1 1 76 76 ASN N N 76 112.997 112.997 114.389 -1.392 19282 3614 1 5 . 1 1 76 76 ASN HA H 76 4.808 4.808 4.989 -0.181 19282 3615 1 5 . 1 1 76 76 ASN C C 76 173.984 173.984 173.839 0.145 19282 3616 1 5 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.487 -1.204 19282 3617 1 5 . 1 1 76 76 ASN CB C 76 41.823 41.823 41.178 0.645 19282 3618 1 5 . 1 1 76 76 ASN H H 76 6.883 6.883 7.472 -0.589 19282 3619 1 5 . 1 1 77 77 TRP N N 77 122.857 122.857 121.486 1.371 19282 3620 1 5 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.161 -0.627 19282 3621 1 5 . 1 1 77 77 TRP C C 77 175.329 175.329 175.819 -0.490 19282 3622 1 5 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.496 1.119 19282 3623 1 5 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.165 0.952 19282 3624 1 5 . 1 1 77 77 TRP H H 77 8.766 8.766 8.941 -0.175 19282 3625 1 5 . 1 1 78 78 LYS N N 78 121.731 121.731 122.164 -0.433 19282 3626 1 5 . 1 1 78 78 LYS HA H 78 4.969 4.969 5.233 -0.264 19282 3627 1 5 . 1 1 78 78 LYS C C 78 177.225 177.225 176.455 0.770 19282 3628 1 5 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.916 0.233 19282 3629 1 5 . 1 1 78 78 LYS CB C 78 36.697 36.697 35.232 1.465 19282 3630 1 5 . 1 1 78 78 LYS H H 78 8.584 8.584 8.129 0.455 19282 3631 1 5 . 1 1 79 79 TRP N N 79 124.809 124.809 121.899 2.910 19282 3632 1 5 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.725 -0.048 19282 3633 1 5 . 1 1 79 79 TRP C C 79 180.969 180.969 179.488 1.481 19282 3634 1 5 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.427 0.265 19282 3635 1 5 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.378 1.566 19282 3636 1 5 . 1 1 79 79 TRP H H 79 9.045 9.045 8.669 0.376 19282 3637 1 5 . 1 1 80 80 ILE N N 80 114.947 114.947 119.343 -4.396 19282 3638 1 5 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.989 0.366 19282 3639 1 5 . 1 1 80 80 ILE C C 80 175.690 175.690 176.216 -0.526 19282 3640 1 5 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.317 -0.535 19282 3641 1 5 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.473 0.811 19282 3642 1 5 . 1 1 80 80 ILE H H 80 8.493 8.493 8.626 -0.133 19282 3643 1 5 . 1 1 81 81 ASN N N 81 116.185 116.185 116.775 -0.590 19282 3644 1 5 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.756 0.136 19282 3645 1 5 . 1 1 81 81 ASN C C 81 176.344 176.344 176.442 -0.098 19282 3646 1 5 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.895 -0.108 19282 3647 1 5 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.361 -0.583 19282 3648 1 5 . 1 1 81 81 ASN H H 81 7.370 7.370 8.219 -0.849 19282 3649 1 5 . 1 1 82 82 GLY N N 82 108.864 108.864 107.418 1.446 19282 3650 1 5 . 1 1 82 82 GLY C C 82 174.321 174.321 174.041 0.280 19282 3651 1 5 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.533 -0.227 19282 3652 1 5 . 1 1 82 82 GLY H H 82 8.621 8.621 8.407 0.214 19282 3653 1 5 . 1 1 83 83 SER N N 83 116.447 116.447 114.581 1.866 19282 3654 1 5 . 1 1 83 83 SER HA H 83 4.688 4.688 4.715 -0.027 19282 3655 1 5 . 1 1 83 83 SER C C 83 174.042 174.042 174.292 -0.250 19282 3656 1 5 . 1 1 83 83 SER CA C 83 58.822 58.822 57.256 1.566 19282 3657 1 5 . 1 1 83 83 SER CB C 83 64.512 64.512 64.811 -0.299 19282 3658 1 5 . 1 1 83 83 SER H H 83 7.894 7.894 8.165 -0.271 19282 3659 1 5 . 1 1 84 84 THR N N 84 117.358 117.358 118.171 -0.813 19282 3660 1 5 . 1 1 84 84 THR HA H 84 4.628 4.628 4.718 -0.090 19282 3661 1 5 . 1 1 84 84 THR C C 84 174.906 174.906 174.931 -0.025 19282 3662 1 5 . 1 1 84 84 THR CA C 84 62.727 62.727 62.756 -0.029 19282 3663 1 5 . 1 1 84 84 THR CB C 84 70.047 70.047 70.431 -0.384 19282 3664 1 5 . 1 1 84 84 THR H H 84 8.710 8.710 8.630 0.080 19282 3665 1 5 . 1 1 85 85 LEU N N 85 125.457 125.457 129.222 -3.765 19282 3666 1 5 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.649 -0.230 19282 3667 1 5 . 1 1 85 85 LEU C C 85 175.973 175.973 175.796 0.177 19282 3668 1 5 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.050 1.118 19282 3669 1 5 . 1 1 85 85 LEU CB C 85 43.460 43.460 43.040 0.420 19282 3670 1 5 . 1 1 85 85 LEU H H 85 8.244 8.244 8.321 -0.077 19282 3671 1 5 . 1 1 86 86 ASN N N 86 126.729 126.729 124.732 1.997 19282 3672 1 5 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.775 0.287 19282 3673 1 5 . 1 1 86 86 ASN C C 86 176.112 176.112 175.704 0.408 19282 3674 1 5 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.519 -0.276 19282 3675 1 5 . 1 1 86 86 ASN CB C 86 38.631 38.631 37.715 0.916 19282 3676 1 5 . 1 1 86 86 ASN H H 86 9.042 9.042 9.112 -0.070 19282 3677 1 5 . 1 1 87 87 SER N N 87 120.386 120.386 120.385 0.001 19282 3678 1 5 . 1 1 87 87 SER HA H 87 4.606 4.606 4.272 0.334 19282 3679 1 5 . 1 1 87 87 SER C C 87 174.673 174.673 174.832 -0.159 19282 3680 1 5 . 1 1 87 87 SER CA C 87 59.908 59.908 60.031 -0.123 19282 3681 1 5 . 1 1 87 87 SER CB C 87 63.602 63.602 62.998 0.604 19282 3682 1 5 . 1 1 87 87 SER H H 87 8.724 8.724 8.229 0.495 19282 3683 1 5 . 1 1 88 88 ASP N N 88 120.189 120.189 119.032 1.157 19282 3684 1 5 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.670 -0.093 19282 3685 1 5 . 1 1 88 88 ASP C C 88 177.211 177.211 177.563 -0.352 19282 3686 1 5 . 1 1 88 88 ASP CA C 88 55.987 55.987 55.923 0.064 19282 3687 1 5 . 1 1 88 88 ASP CB C 88 40.640 40.640 41.275 -0.635 19282 3688 1 5 . 1 1 88 88 ASP H H 88 8.464 8.464 7.845 0.619 19282 3689 1 5 . 1 1 89 89 VAL N N 89 118.259 118.259 115.708 2.551 19282 3690 1 5 . 1 1 89 89 VAL HA H 89 3.987 3.987 3.923 0.064 19282 3691 1 5 . 1 1 89 89 VAL C C 89 175.071 175.071 175.255 -0.184 19282 3692 1 5 . 1 1 89 89 VAL CA C 89 64.434 64.434 63.916 0.518 19282 3693 1 5 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.519 0.444 19282 3694 1 5 . 1 1 89 89 VAL H H 89 7.783 7.783 7.407 0.376 19282 3695 1 5 . 1 1 90 90 LEU N N 90 118.198 118.198 117.585 0.613 19282 3696 1 5 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.542 -0.062 19282 3697 1 5 . 1 1 90 90 LEU C C 90 173.881 173.881 175.466 -1.585 19282 3698 1 5 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.251 2.115 19282 3699 1 5 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.603 -1.337 19282 3700 1 5 . 1 1 90 90 LEU H H 90 7.537 7.537 7.394 0.143 19282 3701 1 5 . 1 1 91 91 LYS N N 91 122.032 122.032 121.220 0.812 19282 3702 1 5 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.190 0.243 19282 3703 1 5 . 1 1 91 91 LYS C C 91 175.565 175.565 175.230 0.335 19282 3704 1 5 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.171 -1.996 19282 3705 1 5 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.802 1.375 19282 3706 1 5 . 1 1 91 91 LYS H H 91 8.121 8.121 8.317 -0.196 19282 3707 1 5 . 1 1 92 92 ILE N N 92 123.168 123.168 124.189 -1.021 19282 3708 1 5 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.328 -0.061 19282 3709 1 5 . 1 1 92 92 ILE C C 92 176.136 176.136 174.624 1.512 19282 3710 1 5 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.019 1.179 19282 3711 1 5 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.058 -3.030 19282 3712 1 5 . 1 1 92 92 ILE H H 92 8.086 8.086 8.056 0.030 19282 3713 1 5 . 1 1 93 93 THR N N 93 119.647 119.647 115.164 4.483 19282 3714 1 5 . 1 1 93 93 THR HA H 93 4.487 4.487 4.217 0.270 19282 3715 1 5 . 1 1 93 93 THR C C 93 173.748 173.748 174.431 -0.683 19282 3716 1 5 . 1 1 93 93 THR CA C 93 61.605 61.605 61.497 0.108 19282 3717 1 5 . 1 1 93 93 THR CB C 93 70.404 70.404 69.343 1.062 19282 3718 1 5 . 1 1 93 93 THR H H 93 8.238 8.238 7.454 0.784 19282 3719 1 5 . 1 1 94 94 GLY N N 94 111.397 111.397 110.241 1.156 19282 3720 1 5 . 1 1 94 94 GLY C C 94 172.757 172.757 173.266 -0.509 19282 3721 1 5 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.153 -0.439 19282 3722 1 5 . 1 1 94 94 GLY H H 94 8.133 8.133 8.619 -0.486 19282 3723 1 5 . 1 1 95 95 ASP N N 95 119.905 119.905 120.649 -0.744 19282 3724 1 5 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.791 -0.048 19282 3725 1 5 . 1 1 95 95 ASP C C 95 175.600 175.600 175.173 0.427 19282 3726 1 5 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.285 0.898 19282 3727 1 5 . 1 1 95 95 ASP CB C 95 41.877 41.877 41.919 -0.042 19282 3728 1 5 . 1 1 95 95 ASP H H 95 8.285 8.285 7.587 0.698 19282 3729 1 5 . 1 1 96 96 THR N N 96 115.409 115.409 117.759 -2.350 19282 3730 1 5 . 1 1 96 96 THR HA H 96 4.136 4.136 4.396 -0.260 19282 3731 1 5 . 1 1 96 96 THR C C 96 173.508 173.508 173.915 -0.407 19282 3732 1 5 . 1 1 96 96 THR CA C 96 61.369 61.369 62.390 -1.021 19282 3733 1 5 . 1 1 96 96 THR CB C 96 69.775 69.775 70.382 -0.607 19282 3734 1 5 . 1 1 96 96 THR H H 96 7.936 7.936 8.164 -0.228 19282 3735 1 5 . 1 1 97 97 GLU N N 97 123.162 123.162 120.288 2.874 19282 3736 1 5 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.190 0.034 19282 3737 1 5 . 1 1 97 97 GLU C C 97 175.455 175.455 174.613 0.842 19282 3738 1 5 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.787 -1.625 19282 3739 1 5 . 1 1 97 97 GLU CB C 97 30.688 30.688 28.277 2.411 19282 3740 1 5 . 1 1 97 97 GLU H H 97 8.186 8.186 8.188 -0.002 19282 3741 1 5 . 1 1 98 98 ASN N N 98 117.342 117.342 117.822 -0.480 19282 3742 1 5 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.836 -0.315 19282 3743 1 5 . 1 1 98 98 ASN C C 98 174.251 174.251 173.143 1.108 19282 3744 1 5 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.144 1.305 19282 3745 1 5 . 1 1 98 98 ASN CB C 98 40.229 40.229 40.658 -0.429 19282 3746 1 5 . 1 1 98 98 ASN H H 98 7.997 7.997 8.140 -0.143 19282 3747 1 5 . 1 1 99 99 ASP N N 99 120.235 120.235 119.054 1.181 19282 3748 1 5 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.788 -0.195 19282 3749 1 5 . 1 1 99 99 ASP C C 99 176.261 176.261 175.476 0.785 19282 3750 1 5 . 1 1 99 99 ASP CA C 99 55.138 55.138 52.605 2.533 19282 3751 1 5 . 1 1 99 99 ASP CB C 99 40.395 40.395 41.065 -0.670 19282 3752 1 5 . 1 1 99 99 ASP H H 99 8.365 8.365 8.563 -0.198 19282 3753 1 5 . 1 1 100 100 SER N N 100 116.248 116.248 115.360 0.888 19282 3754 1 5 . 1 1 100 100 SER HA H 100 4.990 4.990 4.607 0.383 19282 3755 1 5 . 1 1 100 100 SER C C 100 172.411 172.411 174.461 -2.050 19282 3756 1 5 . 1 1 100 100 SER CA C 100 59.212 59.212 58.574 0.638 19282 3757 1 5 . 1 1 100 100 SER CB C 100 66.127 66.127 63.346 2.780 19282 3758 1 5 . 1 1 100 100 SER H H 100 7.862 7.862 7.692 0.170 19282 3759 1 5 . 1 1 101 101 CYS N N 101 121.559 121.559 117.858 3.701 19282 3760 1 5 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.336 -0.280 19282 3761 1 5 . 1 1 101 101 CYS C C 101 172.356 172.356 173.830 -1.474 19282 3762 1 5 . 1 1 101 101 CYS CA C 101 59.446 59.446 55.202 4.244 19282 3763 1 5 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.603 15.028 19282 3764 1 5 . 1 1 101 101 CYS H H 101 9.231 9.231 9.054 0.177 19282 3765 1 5 . 1 1 102 102 ALA N N 102 124.390 124.390 121.892 2.498 19282 3766 1 5 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.759 -0.379 19282 3767 1 5 . 1 1 102 102 ALA C C 102 175.442 175.442 175.715 -0.273 19282 3768 1 5 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.091 1.536 19282 3769 1 5 . 1 1 102 102 ALA CB C 102 21.971 21.971 22.066 -0.095 19282 3770 1 5 . 1 1 102 102 ALA H H 102 8.393 8.393 8.516 -0.123 19282 3771 1 5 . 1 1 103 103 ALA N N 103 120.824 120.824 122.346 -1.522 19282 3772 1 5 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.407 0.084 19282 3773 1 5 . 1 1 103 103 ALA C C 103 176.664 176.664 175.454 1.210 19282 3774 1 5 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.387 -0.004 19282 3775 1 5 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.577 0.435 19282 3776 1 5 . 1 1 103 103 ALA H H 103 8.859 8.859 9.199 -0.340 19282 3777 1 5 . 1 1 104 104 ILE N N 104 119.488 119.488 121.496 -2.008 19282 3778 1 5 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.508 0.110 19282 3779 1 5 . 1 1 104 104 ILE C C 104 175.968 175.968 175.568 0.400 19282 3780 1 5 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.752 0.368 19282 3781 1 5 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.804 2.489 19282 3782 1 5 . 1 1 104 104 ILE H H 104 9.301 9.301 8.761 0.540 19282 3783 1 5 . 1 1 105 105 SER N N 105 121.988 121.988 122.815 -0.827 19282 3784 1 5 . 1 1 105 105 SER HA H 105 4.793 4.793 4.964 -0.171 19282 3785 1 5 . 1 1 105 105 SER C C 105 175.288 175.288 174.210 1.078 19282 3786 1 5 . 1 1 105 105 SER CA C 105 56.729 56.729 56.927 -0.198 19282 3787 1 5 . 1 1 105 105 SER CB C 105 64.136 64.136 63.739 0.397 19282 3788 1 5 . 1 1 105 105 SER H H 105 8.747 8.747 8.174 0.573 19282 3789 1 5 . 1 1 106 106 GLY N N 106 117.934 117.934 117.037 0.897 19282 3790 1 5 . 1 1 106 106 GLY C C 106 173.274 173.274 173.131 0.143 19282 3791 1 5 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.302 2.559 19282 3792 1 5 . 1 1 106 106 GLY H H 106 9.283 9.283 8.592 0.691 19282 3793 1 5 . 1 1 107 107 ASP N N 107 122.936 122.936 125.516 -2.580 19282 3794 1 5 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.737 -0.104 19282 3795 1 5 . 1 1 107 107 ASP C C 107 174.997 174.997 175.365 -0.368 19282 3796 1 5 . 1 1 107 107 ASP CA C 107 53.502 53.502 53.738 -0.236 19282 3797 1 5 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.120 -0.192 19282 3798 1 5 . 1 1 107 107 ASP H H 107 8.420 8.420 8.376 0.044 19282 3799 1 5 . 1 1 108 108 LYS N N 108 116.770 116.770 118.073 -1.303 19282 3800 1 5 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.687 0.037 19282 3801 1 5 . 1 1 108 108 LYS C C 108 173.949 173.949 174.561 -0.612 19282 3802 1 5 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.583 1.160 19282 3803 1 5 . 1 1 108 108 LYS CB C 108 35.423 35.423 36.163 -0.740 19282 3804 1 5 . 1 1 108 108 LYS H H 108 7.764 7.764 7.238 0.526 19282 3805 1 5 . 1 1 109 109 VAL N N 109 120.190 120.190 119.785 0.405 19282 3806 1 5 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.569 0.162 19282 3807 1 5 . 1 1 109 109 VAL C C 109 175.297 175.297 176.106 -0.809 19282 3808 1 5 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.238 0.771 19282 3809 1 5 . 1 1 109 109 VAL CB C 109 31.996 31.996 33.286 -1.290 19282 3810 1 5 . 1 1 109 109 VAL H H 109 8.315 8.315 8.528 -0.213 19282 3811 1 5 . 1 1 110 110 THR N N 110 121.358 121.358 116.544 4.814 19282 3812 1 5 . 1 1 110 110 THR HA H 110 4.765 4.765 4.308 0.457 19282 3813 1 5 . 1 1 110 110 THR C C 110 172.026 172.026 172.527 -0.501 19282 3814 1 5 . 1 1 110 110 THR CA C 110 59.150 59.150 59.596 -0.446 19282 3815 1 5 . 1 1 110 110 THR CB C 110 71.063 71.063 71.907 -0.844 19282 3816 1 5 . 1 1 110 110 THR H H 110 9.253 9.253 9.010 0.243 19282 3817 1 5 . 1 1 111 111 PHE N N 111 116.390 116.390 115.334 1.056 19282 3818 1 5 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.867 -0.264 19282 3819 1 5 . 1 1 111 111 PHE C C 111 174.645 174.645 174.305 0.340 19282 3820 1 5 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.382 -0.420 19282 3821 1 5 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.908 -0.932 19282 3822 1 5 . 1 1 111 111 PHE H H 111 7.934 7.934 7.876 0.058 19282 3823 1 5 . 1 1 112 112 GLU N N 112 119.577 119.577 119.971 -0.394 19282 3824 1 5 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.818 0.102 19282 3825 1 5 . 1 1 112 112 GLU C C 112 175.303 175.303 174.727 0.576 19282 3826 1 5 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.913 -0.226 19282 3827 1 5 . 1 1 112 112 GLU CB C 112 34.154 34.154 31.607 2.547 19282 3828 1 5 . 1 1 112 112 GLU H H 112 9.266 9.266 9.685 -0.419 19282 3829 1 5 . 1 1 113 113 SER N N 113 114.911 114.911 115.508 -0.597 19282 3830 1 5 . 1 1 113 113 SER HA H 113 4.706 4.706 4.563 0.143 19282 3831 1 5 . 1 1 113 113 SER C C 113 178.063 178.063 175.815 2.248 19282 3832 1 5 . 1 1 113 113 SER CA C 113 59.218 59.218 59.554 -0.336 19282 3833 1 5 . 1 1 113 113 SER CB C 113 63.646 63.646 63.563 0.083 19282 3834 1 5 . 1 1 113 113 SER H H 113 8.880 8.880 8.735 0.145 19282 3835 1 5 . 1 1 114 114 CYS N N 114 125.039 125.039 122.577 2.462 19282 3836 1 5 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.756 0.515 19282 3837 1 5 . 1 1 114 114 CYS C C 114 174.382 174.382 175.728 -1.346 19282 3838 1 5 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.934 -1.282 19282 3839 1 5 . 1 1 114 114 CYS CB C 114 45.624 45.624 26.512 19.112 19282 3840 1 5 . 1 1 114 114 CYS H H 114 9.143 9.143 9.013 0.130 19282 3841 1 5 . 1 1 115 115 ASN N N 115 116.644 116.644 115.832 0.812 19282 3842 1 5 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.668 0.408 19282 3843 1 5 . 1 1 115 115 ASN C C 115 175.268 175.268 175.210 0.058 19282 3844 1 5 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.620 -0.515 19282 3845 1 5 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.431 -0.346 19282 3846 1 5 . 1 1 115 115 ASN H H 115 8.251 8.251 8.526 -0.275 19282 3847 1 5 . 1 1 116 116 SER N N 116 117.296 117.296 117.499 -0.203 19282 3848 1 5 . 1 1 116 116 SER HA H 116 4.509 4.509 4.617 -0.108 19282 3849 1 5 . 1 1 116 116 SER C C 116 170.342 170.342 173.941 -3.599 19282 3850 1 5 . 1 1 116 116 SER CA C 116 59.592 59.592 58.226 1.366 19282 3851 1 5 . 1 1 116 116 SER CB C 116 63.948 63.948 64.620 -0.672 19282 3852 1 5 . 1 1 116 116 SER H H 116 7.988 7.988 7.873 0.115 19282 3853 1 5 . 1 1 117 117 ASP N N 117 119.393 119.393 124.391 -4.998 19282 3854 1 5 . 1 1 117 117 ASP HA H 117 4.833 4.833 4.866 -0.033 19282 3855 1 5 . 1 1 117 117 ASP C C 117 174.981 174.981 175.456 -0.475 19282 3856 1 5 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.198 -0.867 19282 3857 1 5 . 1 1 117 117 ASP CB C 117 41.632 41.632 41.011 0.620 19282 3858 1 5 . 1 1 117 117 ASP H H 117 8.027 8.027 8.752 -0.725 19282 3859 1 5 . 1 1 118 118 ASN N N 118 121.127 121.127 124.253 -3.126 19282 3860 1 5 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.992 -0.052 19282 3861 1 5 . 1 1 118 118 ASN C C 118 176.169 176.169 174.713 1.456 19282 3862 1 5 . 1 1 118 118 ASN CA C 118 52.074 52.074 51.886 0.188 19282 3863 1 5 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.459 -1.227 19282 3864 1 5 . 1 1 118 118 ASN H H 118 8.634 8.634 9.092 -0.458 19282 3865 1 5 . 1 1 119 119 ARG N N 119 118.108 118.108 118.771 -0.663 19282 3866 1 5 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.748 -1.257 19282 3867 1 5 . 1 1 119 119 ARG C C 119 174.125 174.125 176.183 -2.058 19282 3868 1 5 . 1 1 119 119 ARG CA C 119 56.668 56.668 56.067 0.601 19282 3869 1 5 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.396 -0.053 19282 3870 1 5 . 1 1 119 119 ARG H H 119 6.943 6.943 8.515 -1.572 19282 3871 1 5 . 1 1 120 120 TRP N N 120 113.700 113.700 115.950 -2.250 19282 3872 1 5 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.261 0.464 19282 3873 1 5 . 1 1 120 120 TRP C C 120 173.109 173.109 173.652 -0.543 19282 3874 1 5 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.887 0.761 19282 3875 1 5 . 1 1 120 120 TRP CB C 120 33.071 33.071 31.886 1.185 19282 3876 1 5 . 1 1 120 120 TRP H H 120 8.511 8.511 8.195 0.316 19282 3877 1 5 . 1 1 121 121 ILE N N 121 117.255 117.255 119.521 -2.266 19282 3878 1 5 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.930 0.408 19282 3879 1 5 . 1 1 121 121 ILE C C 121 176.617 176.617 175.271 1.346 19282 3880 1 5 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.611 -0.181 19282 3881 1 5 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.998 0.410 19282 3882 1 5 . 1 1 121 121 ILE H H 121 7.551 7.551 8.905 -1.354 19282 3883 1 5 . 1 1 122 122 CYS N N 122 122.116 122.116 126.443 -4.327 19282 3884 1 5 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.548 0.456 19282 3885 1 5 . 1 1 122 122 CYS C C 122 174.897 174.897 173.902 0.995 19282 3886 1 5 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.316 -5.740 19282 3887 1 5 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.656 9.762 19282 3888 1 5 . 1 1 122 122 CYS H H 122 9.449 9.449 9.271 0.178 19282 3889 1 5 . 1 1 123 123 GLN N N 123 118.635 118.635 119.796 -1.161 19282 3890 1 5 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.026 0.201 19282 3891 1 5 . 1 1 123 123 GLN C C 123 174.014 174.014 174.379 -0.365 19282 3892 1 5 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.208 -0.379 19282 3893 1 5 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.169 1.804 19282 3894 1 5 . 1 1 123 123 GLN H H 123 10.073 10.073 9.647 0.426 19282 3895 1 5 . 1 1 124 124 LYS N N 124 121.677 121.677 122.076 -0.399 19282 3896 1 5 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.680 0.159 19282 3897 1 5 . 1 1 124 124 LYS C C 124 174.809 174.809 175.365 -0.556 19282 3898 1 5 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.487 0.916 19282 3899 1 5 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.377 2.200 19282 3900 1 5 . 1 1 124 124 LYS H H 124 9.115 9.115 9.179 -0.064 19282 3901 1 5 . 1 1 125 125 GLU N N 125 122.487 122.487 127.529 -5.042 19282 3902 1 5 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.186 0.389 19282 3903 1 5 . 1 1 125 125 GLU C C 125 176.057 176.057 175.510 0.547 19282 3904 1 5 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.415 -1.394 19282 3905 1 5 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.466 1.686 19282 3906 1 5 . 1 1 125 125 GLU H H 125 8.695 8.695 8.856 -0.161 19282 3907 1 5 . 1 1 126 126 LEU N N 126 123.898 123.898 127.997 -4.099 19282 3908 1 5 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.291 -0.152 19282 3909 1 5 . 1 1 126 126 LEU C C 126 176.479 176.479 176.666 -0.187 19282 3910 1 5 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.030 0.553 19282 3911 1 5 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.980 -0.355 19282 3912 1 5 . 1 1 126 126 LEU H H 126 8.332 8.332 8.562 -0.230 19282 3913 1 5 . 1 1 127 127 TYR N N 127 118.052 118.052 113.982 4.070 19282 3914 1 5 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.716 -0.187 19282 3915 1 5 . 1 1 127 127 TYR C C 127 175.072 175.072 173.836 1.236 19282 3916 1 5 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.032 0.454 19282 3917 1 5 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.677 -3.808 19282 3918 1 5 . 1 1 127 127 TYR H H 127 8.028 8.028 7.776 0.252 19282 3919 1 5 . 1 1 128 128 HIS N N 128 120.723 120.723 112.042 8.681 19282 3920 1 5 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.983 -0.399 19282 3921 1 5 . 1 1 128 128 HIS C C 128 174.487 174.487 173.143 1.344 19282 3922 1 5 . 1 1 128 128 HIS CA C 128 55.688 55.688 55.070 0.618 19282 3923 1 5 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.194 -1.679 19282 3924 1 5 . 1 1 128 128 HIS H H 128 8.014 8.014 8.596 -0.582 19282 3925 1 5 . 1 1 129 129 GLU N N 129 122.855 122.855 120.502 2.353 19282 3926 1 5 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.493 -0.209 19282 3927 1 5 . 1 1 129 129 GLU C C 129 176.492 176.492 175.045 1.447 19282 3928 1 5 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.242 2.575 19282 3929 1 5 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.313 -2.841 19282 3930 1 5 . 1 1 129 129 GLU H H 129 8.424 8.424 8.837 -0.413 19282 3931 1 5 . 1 1 130 130 THR N N 130 116.228 116.228 117.591 -1.363 19282 3932 1 5 . 1 1 130 130 THR HA H 130 4.339 4.339 4.883 -0.544 19282 3933 1 5 . 1 1 130 130 THR C C 130 174.589 174.589 173.437 1.152 19282 3934 1 5 . 1 1 130 130 THR CA C 130 62.205 62.205 62.248 -0.043 19282 3935 1 5 . 1 1 130 130 THR CB C 130 69.939 69.939 69.121 0.818 19282 3936 1 5 . 1 1 130 130 THR H H 130 8.311 8.311 8.538 -0.227 19282 3937 1 5 . 1 1 131 131 LEU N N 131 124.856 124.856 127.920 -3.064 19282 3938 1 5 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.787 -0.377 19282 3939 1 5 . 1 1 131 131 LEU C C 131 177.438 177.438 175.809 1.629 19282 3940 1 5 . 1 1 131 131 LEU CA C 131 55.362 55.362 54.464 0.898 19282 3941 1 5 . 1 1 131 131 LEU CB C 131 42.356 42.356 45.535 -3.179 19282 3942 1 5 . 1 1 131 131 LEU H H 131 8.294 8.294 8.326 -0.032 19282 3943 1 5 . 1 1 132 132 SER N N 132 116.127 116.127 114.192 1.935 19282 3944 1 5 . 1 1 132 132 SER HA H 132 4.397 4.397 4.203 0.194 19282 3945 1 5 . 1 1 132 132 SER C C 132 174.250 174.250 173.133 1.117 19282 3946 1 5 . 1 1 132 132 SER CA C 132 58.571 58.571 59.319 -0.748 19282 3947 1 5 . 1 1 132 132 SER CB C 132 63.862 63.862 63.172 0.690 19282 3948 1 5 . 1 1 132 132 SER H H 132 8.255 8.255 8.626 -0.371 19282 3949 1 5 . 1 1 133 133 ASN N N 133 120.181 120.181 117.424 2.757 19282 3950 1 5 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.954 -0.262 19282 3951 1 5 . 1 1 133 133 ASN C C 133 174.658 174.658 173.448 1.210 19282 3952 1 5 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.748 -0.409 19282 3953 1 5 . 1 1 133 133 ASN CB C 133 38.838 38.838 41.692 -2.854 19282 3954 1 5 . 1 1 133 133 ASN H H 133 8.293 8.293 8.859 -0.566 19282 3955 1 5 . 1 1 134 134 TYR N N 134 120.605 120.605 112.766 7.839 19282 3956 1 5 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.973 -0.400 19282 3957 1 5 . 1 1 134 134 TYR C C 134 175.726 175.726 174.052 1.674 19282 3958 1 5 . 1 1 134 134 TYR CA C 134 58.149 58.149 56.529 1.620 19282 3959 1 5 . 1 1 134 134 TYR CB C 134 38.845 38.845 39.395 -0.550 19282 3960 1 5 . 1 1 134 134 TYR H H 134 8.067 8.067 7.657 0.410 19282 3961 1 5 . 1 1 135 135 VAL N N 135 122.466 122.466 120.517 1.949 19282 3962 1 5 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.766 0.281 19282 3963 1 5 . 1 1 135 135 VAL C C 135 176.130 176.130 177.094 -0.964 19282 3964 1 5 . 1 1 135 135 VAL CA C 135 62.546 62.546 63.993 -1.447 19282 3965 1 5 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.440 0.338 19282 3966 1 5 . 1 1 135 135 VAL H H 135 7.952 7.952 8.898 -0.946 19282 3967 1 5 . 1 1 136 136 GLY N N 136 111.336 111.336 107.387 3.949 19282 3968 1 5 . 1 1 136 136 GLY C C 136 173.652 173.652 174.232 -0.580 19282 3969 1 5 . 1 1 136 136 GLY CA C 136 45.218 45.218 46.235 -1.017 19282 3970 1 5 . 1 1 136 136 GLY H H 136 7.915 7.915 7.838 0.077 19282 3971 1 5 . 1 1 137 137 TYR N N 137 119.801 119.801 122.905 -3.104 19282 3972 1 5 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.550 0.014 19282 3973 1 5 . 1 1 137 137 TYR C C 137 176.375 176.375 176.044 0.331 19282 3974 1 5 . 1 1 137 137 TYR CA C 137 58.168 58.168 56.973 1.195 19282 3975 1 5 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.444 0.481 19282 3976 1 5 . 1 1 137 137 TYR H H 137 7.994 7.994 7.964 0.030 19282 3977 1 5 . 1 1 138 138 GLY N N 138 110.979 110.979 108.381 2.598 19282 3978 1 5 . 1 1 138 138 GLY C C 138 173.159 173.159 173.208 -0.049 19282 3979 1 5 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.122 0.253 19282 3980 1 5 . 1 1 138 138 GLY H H 138 8.345 8.345 8.135 0.210 19282 3981 1 6 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.599 -0.215 19282 3982 1 6 . 1 1 2 2 ALA C C 2 177.184 177.184 177.261 -0.077 19282 3983 1 6 . 1 1 2 2 ALA CA C 2 52.459 52.459 50.782 1.677 19282 3984 1 6 . 1 1 2 2 ALA CB C 2 19.488 19.488 21.182 -1.694 19282 3985 1 6 . 1 1 3 3 LYS N N 3 120.996 120.996 123.886 -2.890 19282 3986 1 6 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.099 0.220 19282 3987 1 6 . 1 1 3 3 LYS C C 3 176.038 176.038 176.542 -0.504 19282 3988 1 6 . 1 1 3 3 LYS CA C 3 56.188 56.188 57.773 -1.585 19282 3989 1 6 . 1 1 3 3 LYS CB C 3 33.261 33.261 33.047 0.214 19282 3990 1 6 . 1 1 3 3 LYS H H 3 8.272 8.272 8.669 -0.397 19282 3991 1 6 . 1 1 4 4 LEU N N 4 124.847 124.847 118.110 6.737 19282 3992 1 6 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.582 -0.186 19282 3993 1 6 . 1 1 4 4 LEU C C 4 175.745 175.745 175.823 -0.078 19282 3994 1 6 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.127 1.665 19282 3995 1 6 . 1 1 4 4 LEU CB C 4 42.683 42.683 44.317 -1.634 19282 3996 1 6 . 1 1 4 4 LEU H H 4 8.247 8.247 7.548 0.699 19282 3997 1 6 . 1 1 5 5 GLU N N 5 120.599 120.599 119.484 1.115 19282 3998 1 6 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.342 0.177 19282 3999 1 6 . 1 1 5 5 GLU C C 5 176.076 176.076 175.908 0.168 19282 4000 1 6 . 1 1 5 5 GLU CA C 5 54.997 54.997 56.060 -1.063 19282 4001 1 6 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.420 1.933 19282 4002 1 6 . 1 1 5 5 GLU H H 5 8.093 8.093 8.416 -0.323 19282 4003 1 6 . 1 1 6 6 CYS N N 6 120.079 120.079 119.414 0.665 19282 4004 1 6 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.731 0.005 19282 4005 1 6 . 1 1 6 6 CYS C C 6 172.237 172.237 172.698 -0.461 19282 4006 1 6 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.489 -2.271 19282 4007 1 6 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.630 9.815 19282 4008 1 6 . 1 1 6 6 CYS H H 6 8.750 8.750 8.351 0.399 19282 4009 1 6 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.434 -0.085 19282 4010 1 6 . 1 1 7 7 PRO C C 7 176.014 176.014 177.727 -1.713 19282 4011 1 6 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.604 -0.132 19282 4012 1 6 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.173 -0.972 19282 4013 1 6 . 1 1 8 8 GLN N N 8 120.940 120.940 118.397 2.543 19282 4014 1 6 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.079 0.029 19282 4015 1 6 . 1 1 8 8 GLN C C 8 176.701 176.701 175.958 0.743 19282 4016 1 6 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.336 -0.250 19282 4017 1 6 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.679 0.164 19282 4018 1 6 . 1 1 8 8 GLN H H 8 8.443 8.443 8.617 -0.174 19282 4019 1 6 . 1 1 9 9 ASP N N 9 116.982 116.982 119.037 -2.055 19282 4020 1 6 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.835 -0.319 19282 4021 1 6 . 1 1 9 9 ASP C C 9 176.201 176.201 175.153 1.048 19282 4022 1 6 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.511 2.102 19282 4023 1 6 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.746 -1.334 19282 4024 1 6 . 1 1 9 9 ASP H H 9 9.023 9.023 8.479 0.544 19282 4025 1 6 . 1 1 10 10 TRP N N 10 121.568 121.568 117.993 3.575 19282 4026 1 6 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.219 -0.156 19282 4027 1 6 . 1 1 10 10 TRP C C 10 175.997 175.997 176.323 -0.326 19282 4028 1 6 . 1 1 10 10 TRP CA C 10 57.664 57.664 55.888 1.776 19282 4029 1 6 . 1 1 10 10 TRP CB C 10 29.075 29.075 31.468 -2.393 19282 4030 1 6 . 1 1 10 10 TRP H H 10 8.440 8.440 7.634 0.806 19282 4031 1 6 . 1 1 11 11 LEU N N 11 123.195 123.195 123.868 -0.673 19282 4032 1 6 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.778 -0.014 19282 4033 1 6 . 1 1 11 11 LEU C C 11 176.837 176.837 176.797 0.040 19282 4034 1 6 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.801 0.806 19282 4035 1 6 . 1 1 11 11 LEU CB C 11 44.386 44.386 42.414 1.972 19282 4036 1 6 . 1 1 11 11 LEU H H 11 9.613 9.613 9.373 0.240 19282 4037 1 6 . 1 1 12 12 SER N N 12 116.705 116.705 120.823 -4.118 19282 4038 1 6 . 1 1 12 12 SER HA H 12 5.389 5.389 4.642 0.747 19282 4039 1 6 . 1 1 12 12 SER C C 12 174.164 174.164 173.764 0.400 19282 4040 1 6 . 1 1 12 12 SER CA C 12 57.066 57.066 57.693 -0.627 19282 4041 1 6 . 1 1 12 12 SER CB C 12 65.488 65.488 63.715 1.773 19282 4042 1 6 . 1 1 12 12 SER H H 12 8.733 8.733 8.888 -0.155 19282 4043 1 6 . 1 1 13 13 HIS N N 13 123.615 123.615 126.500 -2.885 19282 4044 1 6 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.444 -0.139 19282 4045 1 6 . 1 1 13 13 HIS C C 13 173.536 173.536 173.989 -0.453 19282 4046 1 6 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.485 1.792 19282 4047 1 6 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.482 0.470 19282 4048 1 6 . 1 1 13 13 HIS H H 13 8.303 8.303 8.636 -0.333 19282 4049 1 6 . 1 1 14 14 ARG N N 14 125.609 125.609 123.686 1.923 19282 4050 1 6 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.611 -0.089 19282 4051 1 6 . 1 1 14 14 ARG C C 14 175.434 175.434 175.643 -0.209 19282 4052 1 6 . 1 1 14 14 ARG CA C 14 58.414 58.414 59.278 -0.864 19282 4053 1 6 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.670 -0.888 19282 4054 1 6 . 1 1 14 14 ARG H H 14 8.858 8.858 8.867 -0.009 19282 4055 1 6 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.819 -0.056 19282 4056 1 6 . 1 1 15 15 ASP C C 15 174.250 174.250 174.960 -0.710 19282 4057 1 6 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.787 1.698 19282 4058 1 6 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.476 -1.028 19282 4059 1 6 . 1 1 16 16 LYS N N 16 118.266 118.266 118.749 -0.483 19282 4060 1 6 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.950 0.066 19282 4061 1 6 . 1 1 16 16 LYS C C 16 175.472 175.472 173.901 1.571 19282 4062 1 6 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.634 0.930 19282 4063 1 6 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.059 1.246 19282 4064 1 6 . 1 1 16 16 LYS H H 16 8.289 8.289 7.872 0.417 19282 4065 1 6 . 1 1 17 17 CYS N N 17 118.232 118.232 119.510 -1.278 19282 4066 1 6 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.241 0.693 19282 4067 1 6 . 1 1 17 17 CYS C C 17 174.859 174.859 173.133 1.726 19282 4068 1 6 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.409 -4.862 19282 4069 1 6 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.298 13.899 19282 4070 1 6 . 1 1 17 17 CYS H H 17 8.492 8.492 8.308 0.184 19282 4071 1 6 . 1 1 18 18 PHE N N 18 121.121 121.121 125.145 -4.024 19282 4072 1 6 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.756 0.490 19282 4073 1 6 . 1 1 18 18 PHE C C 18 174.238 174.238 174.795 -0.557 19282 4074 1 6 . 1 1 18 18 PHE CA C 18 56.427 56.427 55.061 1.366 19282 4075 1 6 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.319 0.871 19282 4076 1 6 . 1 1 18 18 PHE H H 18 10.029 10.029 9.328 0.701 19282 4077 1 6 . 1 1 19 19 HIS N N 19 122.393 122.393 121.473 0.920 19282 4078 1 6 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.582 -0.219 19282 4079 1 6 . 1 1 19 19 HIS C C 19 172.933 172.933 172.799 0.134 19282 4080 1 6 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.826 0.256 19282 4081 1 6 . 1 1 19 19 HIS CB C 19 30.399 30.399 31.907 -1.508 19282 4082 1 6 . 1 1 19 19 HIS H H 19 8.624 8.624 9.277 -0.653 19282 4083 1 6 . 1 1 20 20 VAL N N 20 128.351 128.351 128.913 -0.562 19282 4084 1 6 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.765 0.426 19282 4085 1 6 . 1 1 20 20 VAL C C 20 174.971 174.971 174.908 0.063 19282 4086 1 6 . 1 1 20 20 VAL CA C 20 61.049 61.049 61.863 -0.814 19282 4087 1 6 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.241 0.868 19282 4088 1 6 . 1 1 20 20 VAL H H 20 7.880 7.880 8.223 -0.343 19282 4089 1 6 . 1 1 21 21 SER N N 21 123.985 123.985 124.712 -0.727 19282 4090 1 6 . 1 1 21 21 SER HA H 21 3.904 3.904 4.094 -0.190 19282 4091 1 6 . 1 1 21 21 SER C C 21 173.842 173.842 174.402 -0.560 19282 4092 1 6 . 1 1 21 21 SER CA C 21 59.417 59.417 58.068 1.349 19282 4093 1 6 . 1 1 21 21 SER CB C 21 62.993 62.993 62.375 0.618 19282 4094 1 6 . 1 1 21 21 SER H H 21 8.802 8.802 8.230 0.572 19282 4095 1 6 . 1 1 22 22 GLN N N 22 118.390 118.390 124.470 -6.080 19282 4096 1 6 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.269 0.004 19282 4097 1 6 . 1 1 22 22 GLN C C 22 175.650 175.650 174.673 0.977 19282 4098 1 6 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.791 -0.065 19282 4099 1 6 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.200 1.842 19282 4100 1 6 . 1 1 22 22 GLN H H 22 8.866 8.866 8.446 0.420 19282 4101 1 6 . 1 1 23 23 VAL N N 23 113.258 113.258 111.902 1.356 19282 4102 1 6 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.414 -0.100 19282 4103 1 6 . 1 1 23 23 VAL C C 23 172.691 172.691 174.876 -2.185 19282 4104 1 6 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.096 0.690 19282 4105 1 6 . 1 1 23 23 VAL CB C 23 34.368 34.368 34.049 0.319 19282 4106 1 6 . 1 1 23 23 VAL H H 23 6.897 6.897 7.186 -0.289 19282 4107 1 6 . 1 1 24 24 SER N N 24 115.205 115.205 118.361 -3.156 19282 4108 1 6 . 1 1 24 24 SER HA H 24 4.894 4.894 5.406 -0.512 19282 4109 1 6 . 1 1 24 24 SER C C 24 173.846 173.846 173.972 -0.126 19282 4110 1 6 . 1 1 24 24 SER CA C 24 56.040 56.040 58.274 -2.234 19282 4111 1 6 . 1 1 24 24 SER CB C 24 65.361 65.361 64.865 0.496 19282 4112 1 6 . 1 1 24 24 SER H H 24 8.125 8.125 8.548 -0.423 19282 4113 1 6 . 1 1 25 25 ASN N N 25 122.669 122.669 120.211 2.458 19282 4114 1 6 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.160 -0.072 19282 4115 1 6 . 1 1 25 25 ASN C C 25 175.285 175.285 173.892 1.393 19282 4116 1 6 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.242 0.788 19282 4117 1 6 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.593 -1.058 19282 4118 1 6 . 1 1 25 25 ASN H H 25 9.854 9.854 9.354 0.500 19282 4119 1 6 . 1 1 26 26 THR N N 26 113.569 113.569 112.073 1.496 19282 4120 1 6 . 1 1 26 26 THR HA H 26 5.520 5.520 5.239 0.281 19282 4121 1 6 . 1 1 26 26 THR C C 26 174.350 174.350 176.019 -1.669 19282 4122 1 6 . 1 1 26 26 THR CA C 26 61.930 61.930 61.442 0.488 19282 4123 1 6 . 1 1 26 26 THR CB C 26 70.719 70.719 70.275 0.444 19282 4124 1 6 . 1 1 26 26 THR H H 26 9.718 9.718 8.217 1.501 19282 4125 1 6 . 1 1 27 27 TRP N N 27 121.857 121.857 123.127 -1.270 19282 4126 1 6 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.175 -0.558 19282 4127 1 6 . 1 1 27 27 TRP C C 27 177.624 177.624 177.441 0.183 19282 4128 1 6 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.147 0.504 19282 4129 1 6 . 1 1 27 27 TRP CB C 27 30.428 30.428 28.983 1.445 19282 4130 1 6 . 1 1 27 27 TRP H H 27 7.836 7.836 8.602 -0.766 19282 4131 1 6 . 1 1 28 28 GLU N N 28 114.949 114.949 116.671 -1.722 19282 4132 1 6 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.519 0.189 19282 4133 1 6 . 1 1 28 28 GLU C C 28 178.928 178.928 178.521 0.407 19282 4134 1 6 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.362 0.227 19282 4135 1 6 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.002 0.478 19282 4136 1 6 . 1 1 28 28 GLU H H 28 8.827 8.827 8.446 0.381 19282 4137 1 6 . 1 1 29 29 GLU N N 29 118.462 118.462 120.270 -1.808 19282 4138 1 6 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.935 -0.009 19282 4139 1 6 . 1 1 29 29 GLU C C 29 179.587 179.587 178.843 0.744 19282 4140 1 6 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.681 -0.112 19282 4141 1 6 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.047 -0.913 19282 4142 1 6 . 1 1 29 29 GLU H H 29 7.259 7.259 7.489 -0.230 19282 4143 1 6 . 1 1 30 30 GLY N N 30 112.186 112.186 107.078 5.108 19282 4144 1 6 . 1 1 30 30 GLY C C 30 173.516 173.516 175.406 -1.890 19282 4145 1 6 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.933 -0.191 19282 4146 1 6 . 1 1 30 30 GLY H H 30 7.871 7.871 8.055 -0.184 19282 4147 1 6 . 1 1 31 31 LEU N N 31 122.216 122.216 122.831 -0.615 19282 4148 1 6 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.759 -0.414 19282 4149 1 6 . 1 1 31 31 LEU C C 31 179.828 179.828 178.518 1.310 19282 4150 1 6 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.257 1.698 19282 4151 1 6 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.770 -0.295 19282 4152 1 6 . 1 1 31 31 LEU H H 31 7.610 7.610 7.436 0.174 19282 4153 1 6 . 1 1 32 32 VAL N N 32 118.301 118.301 117.966 0.335 19282 4154 1 6 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.806 -0.155 19282 4155 1 6 . 1 1 32 32 VAL C C 32 179.041 179.041 178.583 0.458 19282 4156 1 6 . 1 1 32 32 VAL CA C 32 65.867 65.867 65.397 0.470 19282 4157 1 6 . 1 1 32 32 VAL CB C 32 31.976 31.976 30.570 1.406 19282 4158 1 6 . 1 1 32 32 VAL H H 32 7.571 7.571 7.878 -0.307 19282 4159 1 6 . 1 1 33 33 ASP N N 33 123.085 123.085 120.790 2.295 19282 4160 1 6 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.389 -0.012 19282 4161 1 6 . 1 1 33 33 ASP C C 33 179.766 179.766 178.615 1.151 19282 4162 1 6 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.009 0.128 19282 4163 1 6 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.955 2.480 19282 4164 1 6 . 1 1 33 33 ASP H H 33 7.924 7.924 7.884 0.040 19282 4165 1 6 . 1 1 34 34 CYS N N 34 115.181 115.181 117.186 -2.005 19282 4166 1 6 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.467 0.037 19282 4167 1 6 . 1 1 34 34 CYS C C 34 177.697 177.697 177.288 0.409 19282 4168 1 6 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.248 -5.178 19282 4169 1 6 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.209 8.211 19282 4170 1 6 . 1 1 34 34 CYS H H 34 8.486 8.486 7.986 0.500 19282 4171 1 6 . 1 1 35 35 ASP N N 35 123.300 123.300 120.816 2.484 19282 4172 1 6 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.610 0.144 19282 4173 1 6 . 1 1 35 35 ASP C C 35 180.457 180.457 179.134 1.323 19282 4174 1 6 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.904 0.366 19282 4175 1 6 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.408 1.735 19282 4176 1 6 . 1 1 35 35 ASP H H 35 8.458 8.458 8.003 0.455 19282 4177 1 6 . 1 1 36 36 GLY N N 36 107.140 107.140 108.395 -1.255 19282 4178 1 6 . 1 1 36 36 GLY C C 36 175.345 175.345 175.430 -0.085 19282 4179 1 6 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.858 0.018 19282 4180 1 6 . 1 1 36 36 GLY H H 36 8.281 8.281 7.707 0.574 19282 4181 1 6 . 1 1 37 37 LYS N N 37 119.450 119.450 119.695 -0.245 19282 4182 1 6 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.506 0.040 19282 4183 1 6 . 1 1 37 37 LYS C C 37 176.415 176.415 176.194 0.221 19282 4184 1 6 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.538 1.292 19282 4185 1 6 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.824 0.930 19282 4186 1 6 . 1 1 37 37 LYS H H 37 7.587 7.587 7.530 0.057 19282 4187 1 6 . 1 1 38 38 GLY N N 38 109.781 109.781 107.094 2.687 19282 4188 1 6 . 1 1 38 38 GLY C C 38 174.144 174.144 173.157 0.987 19282 4189 1 6 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.333 1.458 19282 4190 1 6 . 1 1 38 38 GLY H H 38 8.205 8.205 7.874 0.331 19282 4191 1 6 . 1 1 39 39 ALA N N 39 123.317 123.317 121.126 2.191 19282 4192 1 6 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.295 -0.179 19282 4193 1 6 . 1 1 39 39 ALA C C 39 174.817 174.817 175.510 -0.693 19282 4194 1 6 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.721 -0.547 19282 4195 1 6 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.798 2.355 19282 4196 1 6 . 1 1 39 39 ALA H H 39 8.107 8.107 7.923 0.184 19282 4197 1 6 . 1 1 40 40 THR N N 40 108.747 108.747 111.220 -2.473 19282 4198 1 6 . 1 1 40 40 THR HA H 40 5.080 5.080 4.753 0.327 19282 4199 1 6 . 1 1 40 40 THR C C 40 175.723 175.723 173.789 1.934 19282 4200 1 6 . 1 1 40 40 THR CA C 40 60.173 60.173 59.562 0.611 19282 4201 1 6 . 1 1 40 40 THR CB C 40 72.452 72.452 72.009 0.443 19282 4202 1 6 . 1 1 40 40 THR H H 40 8.566 8.566 8.955 -0.389 19282 4203 1 6 . 1 1 41 41 LEU N N 41 123.750 123.750 124.370 -0.620 19282 4204 1 6 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.619 0.435 19282 4205 1 6 . 1 1 41 41 LEU C C 41 177.800 177.800 177.480 0.320 19282 4206 1 6 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.340 1.336 19282 4207 1 6 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.877 1.748 19282 4208 1 6 . 1 1 41 41 LEU H H 41 7.791 7.791 8.611 -0.820 19282 4209 1 6 . 1 1 42 42 MET N N 42 116.452 116.452 127.853 -11.401 19282 4210 1 6 . 1 1 42 42 MET HA H 42 4.098 4.098 4.362 -0.264 19282 4211 1 6 . 1 1 42 42 MET C C 42 174.097 174.097 174.477 -0.380 19282 4212 1 6 . 1 1 42 42 MET CA C 42 57.887 57.887 56.173 1.714 19282 4213 1 6 . 1 1 42 42 MET CB C 42 34.299 34.299 32.148 2.151 19282 4214 1 6 . 1 1 42 42 MET H H 42 7.983 7.983 8.986 -1.003 19282 4215 1 6 . 1 1 43 43 LEU N N 43 128.106 128.106 128.018 0.088 19282 4216 1 6 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.893 0.624 19282 4217 1 6 . 1 1 43 43 LEU C C 43 174.928 174.928 175.037 -0.109 19282 4218 1 6 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.477 1.056 19282 4219 1 6 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.249 1.579 19282 4220 1 6 . 1 1 43 43 LEU H H 43 8.078 8.078 8.471 -0.393 19282 4221 1 6 . 1 1 44 44 ILE N N 44 118.686 118.686 123.751 -5.065 19282 4222 1 6 . 1 1 44 44 ILE HA H 44 4.202 4.202 4.065 0.137 19282 4223 1 6 . 1 1 44 44 ILE C C 44 175.736 175.736 175.745 -0.009 19282 4224 1 6 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.460 -0.409 19282 4225 1 6 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.723 -0.555 19282 4226 1 6 . 1 1 44 44 ILE H H 44 5.273 5.273 7.480 -2.207 19282 4227 1 6 . 1 1 45 45 GLN N N 45 127.754 127.754 126.294 1.460 19282 4228 1 6 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.196 -0.017 19282 4229 1 6 . 1 1 45 45 GLN C C 45 175.402 175.402 175.336 0.066 19282 4230 1 6 . 1 1 45 45 GLN CA C 45 57.103 57.103 57.246 -0.143 19282 4231 1 6 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.197 0.636 19282 4232 1 6 . 1 1 45 45 GLN H H 45 9.722 9.722 8.809 0.913 19282 4233 1 6 . 1 1 46 46 ASP N N 46 114.490 114.490 112.997 1.493 19282 4234 1 6 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.826 -0.182 19282 4235 1 6 . 1 1 46 46 ASP C C 46 175.286 175.286 175.918 -0.632 19282 4236 1 6 . 1 1 46 46 ASP CA C 46 53.256 53.256 52.406 0.850 19282 4237 1 6 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.575 0.176 19282 4238 1 6 . 1 1 46 46 ASP H H 46 7.545 7.545 7.720 -0.175 19282 4239 1 6 . 1 1 47 47 GLN N N 47 118.745 118.745 119.268 -0.523 19282 4240 1 6 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.061 -0.058 19282 4241 1 6 . 1 1 47 47 GLN C C 47 177.858 177.858 177.944 -0.086 19282 4242 1 6 . 1 1 47 47 GLN CA C 47 58.995 58.995 59.328 -0.333 19282 4243 1 6 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.995 -0.527 19282 4244 1 6 . 1 1 47 47 GLN H H 47 8.954 8.954 8.821 0.133 19282 4245 1 6 . 1 1 48 48 GLU N N 48 121.721 121.721 119.014 2.707 19282 4246 1 6 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.078 0.004 19282 4247 1 6 . 1 1 48 48 GLU C C 48 179.073 179.073 179.040 0.033 19282 4248 1 6 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.474 0.476 19282 4249 1 6 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.500 -0.753 19282 4250 1 6 . 1 1 48 48 GLU H H 48 8.532 8.532 8.362 0.170 19282 4251 1 6 . 1 1 49 49 GLU N N 49 120.709 120.709 119.704 1.005 19282 4252 1 6 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.315 -0.539 19282 4253 1 6 . 1 1 49 49 GLU C C 49 177.707 177.707 179.066 -1.359 19282 4254 1 6 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.053 0.776 19282 4255 1 6 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.394 1.233 19282 4256 1 6 . 1 1 49 49 GLU H H 49 8.336 8.336 7.781 0.555 19282 4257 1 6 . 1 1 50 50 LEU N N 50 118.070 118.070 119.130 -1.060 19282 4258 1 6 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.906 0.031 19282 4259 1 6 . 1 1 50 50 LEU C C 50 177.342 177.342 178.980 -1.638 19282 4260 1 6 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.682 0.593 19282 4261 1 6 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.500 0.205 19282 4262 1 6 . 1 1 50 50 LEU H H 50 7.175 7.175 7.559 -0.384 19282 4263 1 6 . 1 1 51 51 ARG N N 51 117.898 117.898 119.858 -1.960 19282 4264 1 6 . 1 1 51 51 ARG HA H 51 3.807 3.807 3.959 -0.152 19282 4265 1 6 . 1 1 51 51 ARG C C 51 177.876 177.876 178.790 -0.914 19282 4266 1 6 . 1 1 51 51 ARG CA C 51 59.373 59.373 59.693 -0.320 19282 4267 1 6 . 1 1 51 51 ARG CB C 51 29.928 29.928 30.043 -0.115 19282 4268 1 6 . 1 1 51 51 ARG H H 51 8.135 8.135 8.107 0.028 19282 4269 1 6 . 1 1 52 52 PHE N N 52 118.865 118.865 121.146 -2.281 19282 4270 1 6 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.256 -0.128 19282 4271 1 6 . 1 1 52 52 PHE C C 52 178.379 178.379 177.273 1.106 19282 4272 1 6 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.335 0.945 19282 4273 1 6 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.010 -0.496 19282 4274 1 6 . 1 1 52 52 PHE H H 52 8.003 8.003 8.023 -0.020 19282 4275 1 6 . 1 1 53 53 LEU N N 53 122.451 122.451 122.212 0.239 19282 4276 1 6 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.750 -0.346 19282 4277 1 6 . 1 1 53 53 LEU C C 53 178.870 178.870 178.967 -0.097 19282 4278 1 6 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.720 -0.424 19282 4279 1 6 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.663 0.668 19282 4280 1 6 . 1 1 53 53 LEU H H 53 7.824 7.824 7.918 -0.094 19282 4281 1 6 . 1 1 54 54 LEU N N 54 117.828 117.828 118.912 -1.084 19282 4282 1 6 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.763 0.024 19282 4283 1 6 . 1 1 54 54 LEU C C 54 179.783 179.783 179.388 0.395 19282 4284 1 6 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.159 -0.226 19282 4285 1 6 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.979 -0.048 19282 4286 1 6 . 1 1 54 54 LEU H H 54 8.361 8.361 8.471 -0.110 19282 4287 1 6 . 1 1 55 55 ASP N N 55 116.846 116.846 118.426 -1.580 19282 4288 1 6 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.325 0.052 19282 4289 1 6 . 1 1 55 55 ASP C C 55 177.824 177.824 177.996 -0.172 19282 4290 1 6 . 1 1 55 55 ASP CA C 55 56.232 56.232 57.189 -0.957 19282 4291 1 6 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.755 0.078 19282 4292 1 6 . 1 1 55 55 ASP H H 55 7.933 7.933 7.667 0.266 19282 4293 1 6 . 1 1 56 56 SER N N 56 114.399 114.399 114.604 -0.205 19282 4294 1 6 . 1 1 56 56 SER HA H 56 4.122 4.122 4.175 -0.053 19282 4295 1 6 . 1 1 56 56 SER C C 56 174.277 174.277 176.306 -2.029 19282 4296 1 6 . 1 1 56 56 SER CA C 56 60.677 60.677 60.213 0.464 19282 4297 1 6 . 1 1 56 56 SER CB C 56 63.675 63.675 63.806 -0.131 19282 4298 1 6 . 1 1 56 56 SER H H 56 7.441 7.441 7.546 -0.105 19282 4299 1 6 . 1 1 57 57 ILE N N 57 121.159 121.159 122.084 -0.925 19282 4300 1 6 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.628 0.169 19282 4301 1 6 . 1 1 57 57 ILE C C 57 175.873 175.873 177.096 -1.223 19282 4302 1 6 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.506 -0.695 19282 4303 1 6 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.508 1.058 19282 4304 1 6 . 1 1 57 57 ILE H H 57 7.378 7.378 8.296 -0.918 19282 4305 1 6 . 1 1 58 58 LYS N N 58 124.292 124.292 117.548 6.744 19282 4306 1 6 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.700 0.464 19282 4307 1 6 . 1 1 58 58 LYS C C 58 177.266 177.266 177.764 -0.498 19282 4308 1 6 . 1 1 58 58 LYS CA C 58 57.324 57.324 59.081 -1.757 19282 4309 1 6 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.093 2.197 19282 4310 1 6 . 1 1 58 58 LYS H H 58 8.218 8.218 7.664 0.554 19282 4311 1 6 . 1 1 59 59 GLU N N 59 119.807 119.807 118.998 0.809 19282 4312 1 6 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.187 0.164 19282 4313 1 6 . 1 1 59 59 GLU C C 59 176.023 176.023 177.291 -1.268 19282 4314 1 6 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.954 -3.040 19282 4315 1 6 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.875 -1.044 19282 4316 1 6 . 1 1 59 59 GLU H H 59 7.761 7.761 8.375 -0.614 19282 4317 1 6 . 1 1 60 60 LYS N N 60 120.606 120.606 112.119 8.487 19282 4318 1 6 . 1 1 60 60 LYS HA H 60 4.157 4.157 4.065 0.092 19282 4319 1 6 . 1 1 60 60 LYS C C 60 176.229 176.229 175.923 0.306 19282 4320 1 6 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.014 -1.006 19282 4321 1 6 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.895 1.536 19282 4322 1 6 . 1 1 60 60 LYS H H 60 8.051 8.051 8.517 -0.466 19282 4323 1 6 . 1 1 61 61 TYR N N 61 115.876 115.876 117.511 -1.635 19282 4324 1 6 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.392 0.202 19282 4325 1 6 . 1 1 61 61 TYR C C 61 175.714 175.714 175.287 0.427 19282 4326 1 6 . 1 1 61 61 TYR CA C 61 57.110 57.110 58.218 -1.107 19282 4327 1 6 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.515 -0.016 19282 4328 1 6 . 1 1 61 61 TYR H H 61 7.756 7.756 8.240 -0.484 19282 4329 1 6 . 1 1 62 62 ASN N N 62 118.634 118.634 116.114 2.520 19282 4330 1 6 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.703 0.027 19282 4331 1 6 . 1 1 62 62 ASN C C 62 173.016 173.016 172.945 0.071 19282 4332 1 6 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.887 0.767 19282 4333 1 6 . 1 1 62 62 ASN CB C 62 41.378 41.378 41.895 -0.517 19282 4334 1 6 . 1 1 62 62 ASN H H 62 7.477 7.477 7.531 -0.054 19282 4335 1 6 . 1 1 63 63 SER N N 63 115.211 115.211 115.116 0.095 19282 4336 1 6 . 1 1 63 63 SER HA H 63 5.256 5.256 5.280 -0.024 19282 4337 1 6 . 1 1 63 63 SER C C 63 172.817 172.817 172.398 0.419 19282 4338 1 6 . 1 1 63 63 SER CA C 63 57.506 57.506 56.907 0.599 19282 4339 1 6 . 1 1 63 63 SER CB C 63 63.821 63.821 65.566 -1.745 19282 4340 1 6 . 1 1 63 63 SER H H 63 8.107 8.107 7.892 0.215 19282 4341 1 6 . 1 1 64 64 PHE N N 64 118.959 118.959 122.048 -3.089 19282 4342 1 6 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.036 -0.448 19282 4343 1 6 . 1 1 64 64 PHE C C 64 175.495 175.495 175.484 0.011 19282 4344 1 6 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.567 -0.125 19282 4345 1 6 . 1 1 64 64 PHE CB C 64 42.226 42.226 40.726 1.500 19282 4346 1 6 . 1 1 64 64 PHE H H 64 8.735 8.735 8.562 0.173 19282 4347 1 6 . 1 1 65 65 TRP N N 65 124.651 124.651 124.980 -0.329 19282 4348 1 6 . 1 1 65 65 TRP HA H 65 5.743 5.743 5.005 0.738 19282 4349 1 6 . 1 1 65 65 TRP C C 65 175.951 175.951 176.818 -0.867 19282 4350 1 6 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.311 -0.233 19282 4351 1 6 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.176 2.500 19282 4352 1 6 . 1 1 65 65 TRP H H 65 10.282 10.282 9.173 1.109 19282 4353 1 6 . 1 1 66 66 ILE N N 66 109.430 109.430 116.171 -6.741 19282 4354 1 6 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.159 0.115 19282 4355 1 6 . 1 1 66 66 ILE C C 66 177.380 177.380 177.436 -0.056 19282 4356 1 6 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.125 1.473 19282 4357 1 6 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.710 1.054 19282 4358 1 6 . 1 1 66 66 ILE H H 66 8.443 8.443 8.795 -0.352 19282 4359 1 6 . 1 1 67 67 GLY N N 67 111.319 111.319 110.000 1.319 19282 4360 1 6 . 1 1 67 67 GLY C C 67 172.897 172.897 173.477 -0.580 19282 4361 1 6 . 1 1 67 67 GLY CA C 67 49.995 49.995 46.005 3.990 19282 4362 1 6 . 1 1 67 67 GLY H H 67 10.395 10.395 9.239 1.156 19282 4363 1 6 . 1 1 68 68 LEU N N 68 127.499 127.499 122.078 5.421 19282 4364 1 6 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.464 0.420 19282 4365 1 6 . 1 1 68 68 LEU C C 68 173.367 173.367 175.552 -2.185 19282 4366 1 6 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.008 0.629 19282 4367 1 6 . 1 1 68 68 LEU CB C 68 46.081 46.081 43.057 3.024 19282 4368 1 6 . 1 1 68 68 LEU H H 68 8.446 8.446 8.331 0.115 19282 4369 1 6 . 1 1 69 69 ARG N N 69 124.432 124.432 122.107 2.325 19282 4370 1 6 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.751 0.159 19282 4371 1 6 . 1 1 69 69 ARG C C 69 173.026 173.026 173.869 -0.843 19282 4372 1 6 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.763 1.715 19282 4373 1 6 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.192 1.152 19282 4374 1 6 . 1 1 69 69 ARG H H 69 8.479 8.479 8.575 -0.096 19282 4375 1 6 . 1 1 70 70 TYR N N 70 128.687 128.687 127.281 1.406 19282 4376 1 6 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.867 0.009 19282 4377 1 6 . 1 1 70 70 TYR C C 70 175.118 175.118 174.539 0.579 19282 4378 1 6 . 1 1 70 70 TYR CA C 70 57.747 57.747 57.072 0.675 19282 4379 1 6 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.218 0.013 19282 4380 1 6 . 1 1 70 70 TYR H H 70 7.936 7.936 8.333 -0.397 19282 4381 1 6 . 1 1 71 71 THR N N 71 120.097 120.097 121.408 -1.311 19282 4382 1 6 . 1 1 71 71 THR HA H 71 4.477 4.477 4.265 0.212 19282 4383 1 6 . 1 1 71 71 THR C C 71 172.547 172.547 172.882 -0.335 19282 4384 1 6 . 1 1 71 71 THR CA C 71 60.631 60.631 60.703 -0.072 19282 4385 1 6 . 1 1 71 71 THR CB C 71 71.324 71.324 69.336 1.988 19282 4386 1 6 . 1 1 71 71 THR H H 71 7.701 7.701 7.918 -0.217 19282 4387 1 6 . 1 1 72 72 LEU N N 72 125.241 125.241 126.064 -0.823 19282 4388 1 6 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.689 -0.423 19282 4389 1 6 . 1 1 72 72 LEU C C 72 175.916 175.916 174.819 1.097 19282 4390 1 6 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.518 1.356 19282 4391 1 6 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.382 -1.562 19282 4392 1 6 . 1 1 72 72 LEU H H 72 8.487 8.487 8.269 0.218 19282 4393 1 6 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.571 -0.162 19282 4394 1 6 . 1 1 73 73 PRO C C 73 176.278 176.278 175.359 0.919 19282 4395 1 6 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.805 0.744 19282 4396 1 6 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.551 1.585 19282 4397 1 6 . 1 1 74 74 ASP N N 74 123.018 123.018 122.302 0.716 19282 4398 1 6 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.486 -0.329 19282 4399 1 6 . 1 1 74 74 ASP C C 74 175.592 175.592 175.894 -0.302 19282 4400 1 6 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.291 2.236 19282 4401 1 6 . 1 1 74 74 ASP CB C 74 39.688 39.688 42.415 -2.727 19282 4402 1 6 . 1 1 74 74 ASP H H 74 8.716 8.716 8.109 0.607 19282 4403 1 6 . 1 1 75 75 MET N N 75 113.361 113.361 114.939 -1.578 19282 4404 1 6 . 1 1 75 75 MET HA H 75 3.319 3.319 3.468 -0.149 19282 4405 1 6 . 1 1 75 75 MET C C 75 174.354 174.354 173.764 0.590 19282 4406 1 6 . 1 1 75 75 MET CA C 75 56.042 56.042 57.209 -1.167 19282 4407 1 6 . 1 1 75 75 MET CB C 75 29.181 29.181 31.293 -2.112 19282 4408 1 6 . 1 1 75 75 MET H H 75 8.421 8.421 8.236 0.185 19282 4409 1 6 . 1 1 76 76 ASN N N 76 112.997 112.997 114.910 -1.913 19282 4410 1 6 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.203 -0.395 19282 4411 1 6 . 1 1 76 76 ASN C C 76 173.984 173.984 173.684 0.300 19282 4412 1 6 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.418 -1.135 19282 4413 1 6 . 1 1 76 76 ASN CB C 76 41.823 41.823 41.916 -0.093 19282 4414 1 6 . 1 1 76 76 ASN H H 76 6.883 6.883 7.428 -0.545 19282 4415 1 6 . 1 1 77 77 TRP N N 77 122.857 122.857 120.872 1.985 19282 4416 1 6 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.031 -0.497 19282 4417 1 6 . 1 1 77 77 TRP C C 77 175.329 175.329 175.670 -0.341 19282 4418 1 6 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.977 0.638 19282 4419 1 6 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.181 0.936 19282 4420 1 6 . 1 1 77 77 TRP H H 77 8.766 8.766 9.182 -0.416 19282 4421 1 6 . 1 1 78 78 LYS N N 78 121.731 121.731 121.536 0.195 19282 4422 1 6 . 1 1 78 78 LYS HA H 78 4.969 4.969 5.031 -0.062 19282 4423 1 6 . 1 1 78 78 LYS C C 78 177.225 177.225 175.780 1.445 19282 4424 1 6 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.806 0.343 19282 4425 1 6 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.026 0.671 19282 4426 1 6 . 1 1 78 78 LYS H H 78 8.584 8.584 8.197 0.387 19282 4427 1 6 . 1 1 79 79 TRP N N 79 124.809 124.809 119.933 4.876 19282 4428 1 6 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.877 -0.200 19282 4429 1 6 . 1 1 79 79 TRP C C 79 180.969 180.969 179.401 1.568 19282 4430 1 6 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.037 0.655 19282 4431 1 6 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.858 1.086 19282 4432 1 6 . 1 1 79 79 TRP H H 79 9.045 9.045 8.891 0.154 19282 4433 1 6 . 1 1 80 80 ILE N N 80 114.947 114.947 118.941 -3.994 19282 4434 1 6 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.884 0.471 19282 4435 1 6 . 1 1 80 80 ILE C C 80 175.690 175.690 176.379 -0.689 19282 4436 1 6 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.327 -0.545 19282 4437 1 6 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.624 0.660 19282 4438 1 6 . 1 1 80 80 ILE H H 80 8.493 8.493 8.492 0.001 19282 4439 1 6 . 1 1 81 81 ASN N N 81 116.185 116.185 118.013 -1.828 19282 4440 1 6 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.666 0.226 19282 4441 1 6 . 1 1 81 81 ASN C C 81 176.344 176.344 176.664 -0.320 19282 4442 1 6 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.882 -0.095 19282 4443 1 6 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.127 -0.349 19282 4444 1 6 . 1 1 81 81 ASN H H 81 7.370 7.370 8.242 -0.872 19282 4445 1 6 . 1 1 82 82 GLY N N 82 108.864 108.864 108.866 -0.002 19282 4446 1 6 . 1 1 82 82 GLY C C 82 174.321 174.321 174.837 -0.516 19282 4447 1 6 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.023 0.283 19282 4448 1 6 . 1 1 82 82 GLY H H 82 8.621 8.621 7.720 0.901 19282 4449 1 6 . 1 1 83 83 SER N N 83 116.447 116.447 116.766 -0.319 19282 4450 1 6 . 1 1 83 83 SER HA H 83 4.688 4.688 5.075 -0.387 19282 4451 1 6 . 1 1 83 83 SER C C 83 174.042 174.042 174.419 -0.377 19282 4452 1 6 . 1 1 83 83 SER CA C 83 58.822 58.822 58.059 0.763 19282 4453 1 6 . 1 1 83 83 SER CB C 83 64.512 64.512 65.198 -0.686 19282 4454 1 6 . 1 1 83 83 SER H H 83 7.894 7.894 8.273 -0.379 19282 4455 1 6 . 1 1 84 84 THR N N 84 117.358 117.358 117.717 -0.359 19282 4456 1 6 . 1 1 84 84 THR HA H 84 4.628 4.628 4.865 -0.237 19282 4457 1 6 . 1 1 84 84 THR C C 84 174.906 174.906 174.521 0.385 19282 4458 1 6 . 1 1 84 84 THR CA C 84 62.727 62.727 62.335 0.392 19282 4459 1 6 . 1 1 84 84 THR CB C 84 70.047 70.047 70.921 -0.874 19282 4460 1 6 . 1 1 84 84 THR H H 84 8.710 8.710 8.267 0.443 19282 4461 1 6 . 1 1 85 85 LEU N N 85 125.457 125.457 127.398 -1.941 19282 4462 1 6 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.971 -0.552 19282 4463 1 6 . 1 1 85 85 LEU C C 85 175.973 175.973 176.186 -0.213 19282 4464 1 6 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.029 1.139 19282 4465 1 6 . 1 1 85 85 LEU CB C 85 43.460 43.460 43.427 0.033 19282 4466 1 6 . 1 1 85 85 LEU H H 85 8.244 8.244 8.205 0.039 19282 4467 1 6 . 1 1 86 86 ASN N N 86 126.729 126.729 123.205 3.524 19282 4468 1 6 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.844 0.218 19282 4469 1 6 . 1 1 86 86 ASN C C 86 176.112 176.112 175.316 0.796 19282 4470 1 6 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.675 -0.432 19282 4471 1 6 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.883 -0.252 19282 4472 1 6 . 1 1 86 86 ASN H H 86 9.042 9.042 8.907 0.135 19282 4473 1 6 . 1 1 87 87 SER N N 87 120.386 120.386 120.563 -0.177 19282 4474 1 6 . 1 1 87 87 SER HA H 87 4.606 4.606 4.354 0.252 19282 4475 1 6 . 1 1 87 87 SER C C 87 174.673 174.673 174.436 0.237 19282 4476 1 6 . 1 1 87 87 SER CA C 87 59.908 59.908 59.724 0.184 19282 4477 1 6 . 1 1 87 87 SER CB C 87 63.602 63.602 63.246 0.356 19282 4478 1 6 . 1 1 87 87 SER H H 87 8.724 8.724 8.627 0.097 19282 4479 1 6 . 1 1 88 88 ASP N N 88 120.189 120.189 118.924 1.265 19282 4480 1 6 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.621 -0.044 19282 4481 1 6 . 1 1 88 88 ASP C C 88 177.211 177.211 177.483 -0.272 19282 4482 1 6 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.356 -0.369 19282 4483 1 6 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.981 -0.341 19282 4484 1 6 . 1 1 88 88 ASP H H 88 8.464 8.464 8.301 0.163 19282 4485 1 6 . 1 1 89 89 VAL N N 89 118.259 118.259 115.246 3.013 19282 4486 1 6 . 1 1 89 89 VAL HA H 89 3.987 3.987 3.987 0.000 19282 4487 1 6 . 1 1 89 89 VAL C C 89 175.071 175.071 175.820 -0.749 19282 4488 1 6 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.695 -0.261 19282 4489 1 6 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.402 0.561 19282 4490 1 6 . 1 1 89 89 VAL H H 89 7.783 7.783 7.375 0.408 19282 4491 1 6 . 1 1 90 90 LEU N N 90 118.198 118.198 116.126 2.072 19282 4492 1 6 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.617 -0.137 19282 4493 1 6 . 1 1 90 90 LEU C C 90 173.881 173.881 175.071 -1.190 19282 4494 1 6 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.486 1.880 19282 4495 1 6 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.927 -1.661 19282 4496 1 6 . 1 1 90 90 LEU H H 90 7.537 7.537 7.361 0.176 19282 4497 1 6 . 1 1 91 91 LYS N N 91 122.032 122.032 121.189 0.843 19282 4498 1 6 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.271 0.162 19282 4499 1 6 . 1 1 91 91 LYS C C 91 175.565 175.565 175.261 0.304 19282 4500 1 6 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.120 -1.945 19282 4501 1 6 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.741 1.436 19282 4502 1 6 . 1 1 91 91 LYS H H 91 8.121 8.121 8.360 -0.239 19282 4503 1 6 . 1 1 92 92 ILE N N 92 123.168 123.168 124.835 -1.667 19282 4504 1 6 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.458 -0.191 19282 4505 1 6 . 1 1 92 92 ILE C C 92 176.136 176.136 174.925 1.211 19282 4506 1 6 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.707 0.491 19282 4507 1 6 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.246 -3.219 19282 4508 1 6 . 1 1 92 92 ILE H H 92 8.086 8.086 8.107 -0.021 19282 4509 1 6 . 1 1 93 93 THR N N 93 119.647 119.647 119.853 -0.206 19282 4510 1 6 . 1 1 93 93 THR HA H 93 4.487 4.487 4.425 0.062 19282 4511 1 6 . 1 1 93 93 THR C C 93 173.748 173.748 175.606 -1.858 19282 4512 1 6 . 1 1 93 93 THR CA C 93 61.605 61.605 62.698 -1.093 19282 4513 1 6 . 1 1 93 93 THR CB C 93 70.404 70.404 69.427 0.977 19282 4514 1 6 . 1 1 93 93 THR H H 93 8.238 8.238 7.913 0.325 19282 4515 1 6 . 1 1 94 94 GLY N N 94 111.397 111.397 109.489 1.908 19282 4516 1 6 . 1 1 94 94 GLY C C 94 172.757 172.757 172.923 -0.166 19282 4517 1 6 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.282 -0.568 19282 4518 1 6 . 1 1 94 94 GLY H H 94 8.133 8.133 8.266 -0.133 19282 4519 1 6 . 1 1 95 95 ASP N N 95 119.905 119.905 117.158 2.747 19282 4520 1 6 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.437 0.306 19282 4521 1 6 . 1 1 95 95 ASP C C 95 175.600 175.600 174.675 0.925 19282 4522 1 6 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.360 0.823 19282 4523 1 6 . 1 1 95 95 ASP CB C 95 41.877 41.877 41.838 0.039 19282 4524 1 6 . 1 1 95 95 ASP H H 95 8.285 8.285 7.591 0.694 19282 4525 1 6 . 1 1 96 96 THR N N 96 115.409 115.409 117.502 -2.093 19282 4526 1 6 . 1 1 96 96 THR HA H 96 4.136 4.136 4.345 -0.209 19282 4527 1 6 . 1 1 96 96 THR C C 96 173.508 173.508 174.236 -0.728 19282 4528 1 6 . 1 1 96 96 THR CA C 96 61.369 61.369 60.559 0.810 19282 4529 1 6 . 1 1 96 96 THR CB C 96 69.775 69.775 69.020 0.755 19282 4530 1 6 . 1 1 96 96 THR H H 96 7.936 7.936 7.847 0.089 19282 4531 1 6 . 1 1 97 97 GLU N N 97 123.162 123.162 117.634 5.528 19282 4532 1 6 . 1 1 97 97 GLU HA H 97 4.224 4.224 3.993 0.231 19282 4533 1 6 . 1 1 97 97 GLU C C 97 175.455 175.455 175.016 0.439 19282 4534 1 6 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.820 -1.658 19282 4535 1 6 . 1 1 97 97 GLU CB C 97 30.688 30.688 28.123 2.565 19282 4536 1 6 . 1 1 97 97 GLU H H 97 8.186 8.186 8.027 0.159 19282 4537 1 6 . 1 1 98 98 ASN N N 98 117.342 117.342 116.749 0.593 19282 4538 1 6 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.815 -0.294 19282 4539 1 6 . 1 1 98 98 ASN C C 98 174.251 174.251 174.433 -0.182 19282 4540 1 6 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.271 1.178 19282 4541 1 6 . 1 1 98 98 ASN CB C 98 40.229 40.229 39.256 0.973 19282 4542 1 6 . 1 1 98 98 ASN H H 98 7.997 7.997 7.790 0.207 19282 4543 1 6 . 1 1 99 99 ASP N N 99 120.235 120.235 119.165 1.070 19282 4544 1 6 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.822 -0.229 19282 4545 1 6 . 1 1 99 99 ASP C C 99 176.261 176.261 175.563 0.698 19282 4546 1 6 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.074 2.064 19282 4547 1 6 . 1 1 99 99 ASP CB C 99 40.395 40.395 41.277 -0.882 19282 4548 1 6 . 1 1 99 99 ASP H H 99 8.365 8.365 8.407 -0.042 19282 4549 1 6 . 1 1 100 100 SER N N 100 116.248 116.248 115.696 0.552 19282 4550 1 6 . 1 1 100 100 SER HA H 100 4.990 4.990 4.500 0.490 19282 4551 1 6 . 1 1 100 100 SER C C 100 172.411 172.411 173.905 -1.494 19282 4552 1 6 . 1 1 100 100 SER CA C 100 59.212 59.212 58.540 0.672 19282 4553 1 6 . 1 1 100 100 SER CB C 100 66.127 66.127 64.124 2.003 19282 4554 1 6 . 1 1 100 100 SER H H 100 7.862 7.862 7.569 0.293 19282 4555 1 6 . 1 1 101 101 CYS N N 101 121.559 121.559 120.267 1.292 19282 4556 1 6 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.388 -0.332 19282 4557 1 6 . 1 1 101 101 CYS C C 101 172.356 172.356 173.835 -1.479 19282 4558 1 6 . 1 1 101 101 CYS CA C 101 59.446 59.446 54.771 4.675 19282 4559 1 6 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.207 15.424 19282 4560 1 6 . 1 1 101 101 CYS H H 101 9.231 9.231 8.904 0.327 19282 4561 1 6 . 1 1 102 102 ALA N N 102 124.390 124.390 122.709 1.681 19282 4562 1 6 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.649 -0.269 19282 4563 1 6 . 1 1 102 102 ALA C C 102 175.442 175.442 175.729 -0.287 19282 4564 1 6 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.200 1.427 19282 4565 1 6 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.757 0.214 19282 4566 1 6 . 1 1 102 102 ALA H H 102 8.393 8.393 8.601 -0.208 19282 4567 1 6 . 1 1 103 103 ALA N N 103 120.824 120.824 122.868 -2.044 19282 4568 1 6 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.443 0.048 19282 4569 1 6 . 1 1 103 103 ALA C C 103 176.664 176.664 175.563 1.101 19282 4570 1 6 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.153 0.230 19282 4571 1 6 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.568 0.444 19282 4572 1 6 . 1 1 103 103 ALA H H 103 8.859 8.859 9.150 -0.291 19282 4573 1 6 . 1 1 104 104 ILE N N 104 119.488 119.488 121.933 -2.445 19282 4574 1 6 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.434 0.184 19282 4575 1 6 . 1 1 104 104 ILE C C 104 175.968 175.968 175.316 0.652 19282 4576 1 6 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.675 0.445 19282 4577 1 6 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.303 2.990 19282 4578 1 6 . 1 1 104 104 ILE H H 104 9.301 9.301 8.746 0.555 19282 4579 1 6 . 1 1 105 105 SER N N 105 121.988 121.988 123.213 -1.225 19282 4580 1 6 . 1 1 105 105 SER HA H 105 4.793 4.793 5.305 -0.512 19282 4581 1 6 . 1 1 105 105 SER C C 105 175.288 175.288 174.071 1.217 19282 4582 1 6 . 1 1 105 105 SER CA C 105 56.729 56.729 56.817 -0.088 19282 4583 1 6 . 1 1 105 105 SER CB C 105 64.136 64.136 63.766 0.370 19282 4584 1 6 . 1 1 105 105 SER H H 105 8.747 8.747 8.032 0.715 19282 4585 1 6 . 1 1 106 106 GLY N N 106 117.934 117.934 115.603 2.331 19282 4586 1 6 . 1 1 106 106 GLY C C 106 173.274 173.274 172.893 0.381 19282 4587 1 6 . 1 1 106 106 GLY CA C 106 47.861 47.861 44.764 3.097 19282 4588 1 6 . 1 1 106 106 GLY H H 106 9.283 9.283 8.190 1.093 19282 4589 1 6 . 1 1 107 107 ASP N N 107 122.936 122.936 122.675 0.261 19282 4590 1 6 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.730 -0.097 19282 4591 1 6 . 1 1 107 107 ASP C C 107 174.997 174.997 175.452 -0.455 19282 4592 1 6 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.261 -0.759 19282 4593 1 6 . 1 1 107 107 ASP CB C 107 40.928 40.928 40.567 0.361 19282 4594 1 6 . 1 1 107 107 ASP H H 107 8.420 8.420 8.390 0.030 19282 4595 1 6 . 1 1 108 108 LYS N N 108 116.770 116.770 118.983 -2.213 19282 4596 1 6 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.666 0.058 19282 4597 1 6 . 1 1 108 108 LYS C C 108 173.949 173.949 174.800 -0.851 19282 4598 1 6 . 1 1 108 108 LYS CA C 108 54.743 54.743 54.154 0.589 19282 4599 1 6 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.980 -0.557 19282 4600 1 6 . 1 1 108 108 LYS H H 108 7.764 7.764 7.310 0.454 19282 4601 1 6 . 1 1 109 109 VAL N N 109 120.190 120.190 119.942 0.248 19282 4602 1 6 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.371 0.360 19282 4603 1 6 . 1 1 109 109 VAL C C 109 175.297 175.297 176.048 -0.751 19282 4604 1 6 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.661 0.348 19282 4605 1 6 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.659 -0.663 19282 4606 1 6 . 1 1 109 109 VAL H H 109 8.315 8.315 8.528 -0.213 19282 4607 1 6 . 1 1 110 110 THR N N 110 121.358 121.358 115.290 6.068 19282 4608 1 6 . 1 1 110 110 THR HA H 110 4.765 4.765 4.286 0.479 19282 4609 1 6 . 1 1 110 110 THR C C 110 172.026 172.026 172.664 -0.638 19282 4610 1 6 . 1 1 110 110 THR CA C 110 59.150 59.150 59.157 -0.007 19282 4611 1 6 . 1 1 110 110 THR CB C 110 71.063 71.063 71.806 -0.743 19282 4612 1 6 . 1 1 110 110 THR H H 110 9.253 9.253 8.981 0.272 19282 4613 1 6 . 1 1 111 111 PHE N N 111 116.390 116.390 116.213 0.177 19282 4614 1 6 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.785 -0.182 19282 4615 1 6 . 1 1 111 111 PHE C C 111 174.645 174.645 173.851 0.794 19282 4616 1 6 . 1 1 111 111 PHE CA C 111 55.962 55.962 55.393 0.569 19282 4617 1 6 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.567 -0.591 19282 4618 1 6 . 1 1 111 111 PHE H H 111 7.934 7.934 7.409 0.525 19282 4619 1 6 . 1 1 112 112 GLU N N 112 119.577 119.577 119.333 0.244 19282 4620 1 6 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.754 0.166 19282 4621 1 6 . 1 1 112 112 GLU C C 112 175.303 175.303 174.805 0.498 19282 4622 1 6 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.459 0.228 19282 4623 1 6 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.002 2.152 19282 4624 1 6 . 1 1 112 112 GLU H H 112 9.266 9.266 9.673 -0.407 19282 4625 1 6 . 1 1 113 113 SER N N 113 114.911 114.911 115.535 -0.624 19282 4626 1 6 . 1 1 113 113 SER HA H 113 4.706 4.706 4.748 -0.042 19282 4627 1 6 . 1 1 113 113 SER C C 113 178.063 178.063 175.809 2.254 19282 4628 1 6 . 1 1 113 113 SER CA C 113 59.218 59.218 58.179 1.039 19282 4629 1 6 . 1 1 113 113 SER CB C 113 63.646 63.646 63.137 0.509 19282 4630 1 6 . 1 1 113 113 SER H H 113 8.880 8.880 8.736 0.144 19282 4631 1 6 . 1 1 114 114 CYS N N 114 125.039 125.039 125.096 -0.057 19282 4632 1 6 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.686 0.585 19282 4633 1 6 . 1 1 114 114 CYS C C 114 174.382 174.382 176.006 -1.624 19282 4634 1 6 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.999 -1.347 19282 4635 1 6 . 1 1 114 114 CYS CB C 114 45.624 45.624 26.084 19.540 19282 4636 1 6 . 1 1 114 114 CYS H H 114 9.143 9.143 9.079 0.064 19282 4637 1 6 . 1 1 115 115 ASN N N 115 116.644 116.644 115.627 1.017 19282 4638 1 6 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.595 0.481 19282 4639 1 6 . 1 1 115 115 ASN C C 115 175.268 175.268 175.186 0.082 19282 4640 1 6 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.586 -0.481 19282 4641 1 6 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.186 -0.101 19282 4642 1 6 . 1 1 115 115 ASN H H 115 8.251 8.251 8.425 -0.174 19282 4643 1 6 . 1 1 116 116 SER N N 116 117.296 117.296 116.975 0.321 19282 4644 1 6 . 1 1 116 116 SER HA H 116 4.509 4.509 4.505 0.004 19282 4645 1 6 . 1 1 116 116 SER C C 116 170.342 170.342 174.458 -4.116 19282 4646 1 6 . 1 1 116 116 SER CA C 116 59.592 59.592 58.419 1.173 19282 4647 1 6 . 1 1 116 116 SER CB C 116 63.948 63.948 64.448 -0.500 19282 4648 1 6 . 1 1 116 116 SER H H 116 7.988 7.988 8.176 -0.188 19282 4649 1 6 . 1 1 117 117 ASP N N 117 119.393 119.393 125.106 -5.713 19282 4650 1 6 . 1 1 117 117 ASP HA H 117 4.833 4.833 4.971 -0.138 19282 4651 1 6 . 1 1 117 117 ASP C C 117 174.981 174.981 175.975 -0.994 19282 4652 1 6 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.504 -1.173 19282 4653 1 6 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.871 0.761 19282 4654 1 6 . 1 1 117 117 ASP H H 117 8.027 8.027 8.743 -0.716 19282 4655 1 6 . 1 1 118 118 ASN N N 118 121.127 121.127 124.613 -3.486 19282 4656 1 6 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.986 -0.046 19282 4657 1 6 . 1 1 118 118 ASN C C 118 176.169 176.169 174.352 1.817 19282 4658 1 6 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.172 -0.098 19282 4659 1 6 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.448 -1.216 19282 4660 1 6 . 1 1 118 118 ASN H H 118 8.634 8.634 8.923 -0.289 19282 4661 1 6 . 1 1 119 119 ARG N N 119 118.108 118.108 118.770 -0.662 19282 4662 1 6 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.892 -1.401 19282 4663 1 6 . 1 1 119 119 ARG C C 119 174.125 174.125 176.318 -2.193 19282 4664 1 6 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.476 1.192 19282 4665 1 6 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.477 -0.134 19282 4666 1 6 . 1 1 119 119 ARG H H 119 6.943 6.943 8.758 -1.815 19282 4667 1 6 . 1 1 120 120 TRP N N 120 113.700 113.700 115.991 -2.291 19282 4668 1 6 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.555 0.170 19282 4669 1 6 . 1 1 120 120 TRP C C 120 173.109 173.109 173.713 -0.604 19282 4670 1 6 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.557 1.091 19282 4671 1 6 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.460 0.611 19282 4672 1 6 . 1 1 120 120 TRP H H 120 8.511 8.511 8.339 0.172 19282 4673 1 6 . 1 1 121 121 ILE N N 121 117.255 117.255 120.446 -3.191 19282 4674 1 6 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.823 0.515 19282 4675 1 6 . 1 1 121 121 ILE C C 121 176.617 176.617 175.302 1.315 19282 4676 1 6 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.443 -0.013 19282 4677 1 6 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.346 1.062 19282 4678 1 6 . 1 1 121 121 ILE H H 121 7.551 7.551 8.848 -1.297 19282 4679 1 6 . 1 1 122 122 CYS N N 122 122.116 122.116 126.894 -4.778 19282 4680 1 6 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.387 0.617 19282 4681 1 6 . 1 1 122 122 CYS C C 122 174.897 174.897 174.100 0.797 19282 4682 1 6 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.695 -6.119 19282 4683 1 6 . 1 1 122 122 CYS CB C 122 39.418 39.418 28.453 10.965 19282 4684 1 6 . 1 1 122 122 CYS H H 122 9.449 9.449 8.994 0.455 19282 4685 1 6 . 1 1 123 123 GLN N N 123 118.635 118.635 121.607 -2.972 19282 4686 1 6 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.055 0.172 19282 4687 1 6 . 1 1 123 123 GLN C C 123 174.014 174.014 174.588 -0.574 19282 4688 1 6 . 1 1 123 123 GLN CA C 123 53.829 53.829 53.916 -0.087 19282 4689 1 6 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.034 1.938 19282 4690 1 6 . 1 1 123 123 GLN H H 123 10.073 10.073 9.631 0.442 19282 4691 1 6 . 1 1 124 124 LYS N N 124 121.677 121.677 122.222 -0.545 19282 4692 1 6 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.678 0.161 19282 4693 1 6 . 1 1 124 124 LYS C C 124 174.809 174.809 175.342 -0.533 19282 4694 1 6 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.593 0.810 19282 4695 1 6 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.200 2.377 19282 4696 1 6 . 1 1 124 124 LYS H H 124 9.115 9.115 9.075 0.040 19282 4697 1 6 . 1 1 125 125 GLU N N 125 122.487 122.487 127.235 -4.748 19282 4698 1 6 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.211 0.364 19282 4699 1 6 . 1 1 125 125 GLU C C 125 176.057 176.057 175.645 0.412 19282 4700 1 6 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.219 -1.198 19282 4701 1 6 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.580 1.572 19282 4702 1 6 . 1 1 125 125 GLU H H 125 8.695 8.695 8.937 -0.242 19282 4703 1 6 . 1 1 126 126 LEU N N 126 123.898 123.898 128.848 -4.950 19282 4704 1 6 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.192 -0.053 19282 4705 1 6 . 1 1 126 126 LEU C C 126 176.479 176.479 176.621 -0.142 19282 4706 1 6 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.475 0.108 19282 4707 1 6 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.778 -0.153 19282 4708 1 6 . 1 1 126 126 LEU H H 126 8.332 8.332 8.383 -0.051 19282 4709 1 6 . 1 1 127 127 TYR N N 127 118.052 118.052 113.159 4.893 19282 4710 1 6 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.451 0.078 19282 4711 1 6 . 1 1 127 127 TYR C C 127 175.072 175.072 173.596 1.476 19282 4712 1 6 . 1 1 127 127 TYR CA C 127 57.486 57.486 56.954 0.532 19282 4713 1 6 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.332 -3.463 19282 4714 1 6 . 1 1 127 127 TYR H H 127 8.028 8.028 7.737 0.291 19282 4715 1 6 . 1 1 128 128 HIS N N 128 120.723 120.723 116.213 4.510 19282 4716 1 6 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.871 -0.287 19282 4717 1 6 . 1 1 128 128 HIS C C 128 174.487 174.487 173.666 0.821 19282 4718 1 6 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.756 0.932 19282 4719 1 6 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.597 -2.082 19282 4720 1 6 . 1 1 128 128 HIS H H 128 8.014 8.014 8.295 -0.281 19282 4721 1 6 . 1 1 129 129 GLU N N 129 122.855 122.855 119.147 3.708 19282 4722 1 6 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.793 -0.509 19282 4723 1 6 . 1 1 129 129 GLU C C 129 176.492 176.492 174.958 1.534 19282 4724 1 6 . 1 1 129 129 GLU CA C 129 56.817 56.817 55.230 1.587 19282 4725 1 6 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.517 -3.045 19282 4726 1 6 . 1 1 129 129 GLU H H 129 8.424 8.424 8.743 -0.319 19282 4727 1 6 . 1 1 130 130 THR N N 130 116.228 116.228 116.560 -0.332 19282 4728 1 6 . 1 1 130 130 THR HA H 130 4.339 4.339 4.598 -0.259 19282 4729 1 6 . 1 1 130 130 THR C C 130 174.589 174.589 173.125 1.464 19282 4730 1 6 . 1 1 130 130 THR CA C 130 62.205 62.205 61.779 0.426 19282 4731 1 6 . 1 1 130 130 THR CB C 130 69.939 69.939 69.824 0.115 19282 4732 1 6 . 1 1 130 130 THR H H 130 8.311 8.311 8.596 -0.285 19282 4733 1 6 . 1 1 131 131 LEU N N 131 124.856 124.856 126.600 -1.744 19282 4734 1 6 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.580 -0.170 19282 4735 1 6 . 1 1 131 131 LEU C C 131 177.438 177.438 174.896 2.542 19282 4736 1 6 . 1 1 131 131 LEU CA C 131 55.362 55.362 54.800 0.562 19282 4737 1 6 . 1 1 131 131 LEU CB C 131 42.356 42.356 43.892 -1.536 19282 4738 1 6 . 1 1 131 131 LEU H H 131 8.294 8.294 8.589 -0.295 19282 4739 1 6 . 1 1 132 132 SER N N 132 116.127 116.127 113.707 2.420 19282 4740 1 6 . 1 1 132 132 SER HA H 132 4.397 4.397 4.330 0.067 19282 4741 1 6 . 1 1 132 132 SER C C 132 174.250 174.250 173.197 1.053 19282 4742 1 6 . 1 1 132 132 SER CA C 132 58.571 58.571 58.808 -0.237 19282 4743 1 6 . 1 1 132 132 SER CB C 132 63.862 63.862 63.072 0.790 19282 4744 1 6 . 1 1 132 132 SER H H 132 8.255 8.255 8.606 -0.351 19282 4745 1 6 . 1 1 133 133 ASN N N 133 120.181 120.181 120.369 -0.188 19282 4746 1 6 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.937 -0.245 19282 4747 1 6 . 1 1 133 133 ASN C C 133 174.658 174.658 174.110 0.548 19282 4748 1 6 . 1 1 133 133 ASN CA C 133 53.339 53.339 54.312 -0.973 19282 4749 1 6 . 1 1 133 133 ASN CB C 133 38.838 38.838 40.444 -1.606 19282 4750 1 6 . 1 1 133 133 ASN H H 133 8.293 8.293 8.689 -0.396 19282 4751 1 6 . 1 1 134 134 TYR N N 134 120.605 120.605 111.951 8.654 19282 4752 1 6 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.728 -0.155 19282 4753 1 6 . 1 1 134 134 TYR C C 134 175.726 175.726 173.942 1.784 19282 4754 1 6 . 1 1 134 134 TYR CA C 134 58.149 58.149 57.414 0.735 19282 4755 1 6 . 1 1 134 134 TYR CB C 134 38.845 38.845 38.983 -0.138 19282 4756 1 6 . 1 1 134 134 TYR H H 134 8.067 8.067 7.477 0.590 19282 4757 1 6 . 1 1 135 135 VAL N N 135 122.466 122.466 120.038 2.428 19282 4758 1 6 . 1 1 135 135 VAL HA H 135 4.047 4.047 4.120 -0.073 19282 4759 1 6 . 1 1 135 135 VAL C C 135 176.130 176.130 175.934 0.196 19282 4760 1 6 . 1 1 135 135 VAL CA C 135 62.546 62.546 61.740 0.806 19282 4761 1 6 . 1 1 135 135 VAL CB C 135 32.778 32.778 33.516 -0.738 19282 4762 1 6 . 1 1 135 135 VAL H H 135 7.952 7.952 8.730 -0.778 19282 4763 1 6 . 1 1 136 136 GLY N N 136 111.336 111.336 104.368 6.968 19282 4764 1 6 . 1 1 136 136 GLY C C 136 173.652 173.652 174.637 -0.985 19282 4765 1 6 . 1 1 136 136 GLY CA C 136 45.218 45.218 44.696 0.522 19282 4766 1 6 . 1 1 136 136 GLY H H 136 7.915 7.915 7.355 0.560 19282 4767 1 6 . 1 1 137 137 TYR N N 137 119.801 119.801 119.802 -0.001 19282 4768 1 6 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.068 0.496 19282 4769 1 6 . 1 1 137 137 TYR C C 137 176.375 176.375 177.455 -1.080 19282 4770 1 6 . 1 1 137 137 TYR CA C 137 58.168 58.168 59.983 -1.815 19282 4771 1 6 . 1 1 137 137 TYR CB C 137 38.925 38.925 36.389 2.536 19282 4772 1 6 . 1 1 137 137 TYR H H 137 7.994 7.994 8.340 -0.346 19282 4773 1 6 . 1 1 138 138 GLY N N 138 110.979 110.979 107.658 3.321 19282 4774 1 6 . 1 1 138 138 GLY C C 138 173.159 173.159 174.375 -1.216 19282 4775 1 6 . 1 1 138 138 GLY CA C 138 45.375 45.375 46.388 -1.013 19282 4776 1 6 . 1 1 138 138 GLY H H 138 8.345 8.345 8.053 0.292 19282 4777 1 7 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.465 -0.081 19282 4778 1 7 . 1 1 2 2 ALA C C 2 177.184 177.184 177.712 -0.528 19282 4779 1 7 . 1 1 2 2 ALA CA C 2 52.459 52.459 52.424 0.035 19282 4780 1 7 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.363 0.125 19282 4781 1 7 . 1 1 3 3 LYS N N 3 120.996 120.996 122.217 -1.221 19282 4782 1 7 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.138 0.181 19282 4783 1 7 . 1 1 3 3 LYS C C 3 176.038 176.038 174.213 1.825 19282 4784 1 7 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.735 -0.547 19282 4785 1 7 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.247 1.014 19282 4786 1 7 . 1 1 3 3 LYS H H 3 8.272 8.272 8.590 -0.318 19282 4787 1 7 . 1 1 4 4 LEU N N 4 124.847 124.847 125.194 -0.347 19282 4788 1 7 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.404 -0.008 19282 4789 1 7 . 1 1 4 4 LEU C C 4 175.745 175.745 176.210 -0.465 19282 4790 1 7 . 1 1 4 4 LEU CA C 4 54.792 54.792 52.973 1.819 19282 4791 1 7 . 1 1 4 4 LEU CB C 4 42.683 42.683 43.543 -0.860 19282 4792 1 7 . 1 1 4 4 LEU H H 4 8.247 8.247 8.169 0.078 19282 4793 1 7 . 1 1 5 5 GLU N N 5 120.599 120.599 118.661 1.938 19282 4794 1 7 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.467 0.052 19282 4795 1 7 . 1 1 5 5 GLU C C 5 176.076 176.076 175.367 0.709 19282 4796 1 7 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.660 -0.662 19282 4797 1 7 . 1 1 5 5 GLU CB C 5 32.353 32.353 31.668 0.685 19282 4798 1 7 . 1 1 5 5 GLU H H 5 8.093 8.093 8.321 -0.228 19282 4799 1 7 . 1 1 6 6 CYS N N 6 120.079 120.079 118.136 1.943 19282 4800 1 7 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.701 0.035 19282 4801 1 7 . 1 1 6 6 CYS C C 6 172.237 172.237 172.403 -0.166 19282 4802 1 7 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.642 -2.424 19282 4803 1 7 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.283 10.162 19282 4804 1 7 . 1 1 6 6 CYS H H 6 8.750 8.750 8.327 0.423 19282 4805 1 7 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.422 -0.073 19282 4806 1 7 . 1 1 7 7 PRO C C 7 176.014 176.014 177.868 -1.854 19282 4807 1 7 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.704 -0.232 19282 4808 1 7 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.159 -0.958 19282 4809 1 7 . 1 1 8 8 GLN N N 8 120.940 120.940 119.142 1.798 19282 4810 1 7 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.048 0.060 19282 4811 1 7 . 1 1 8 8 GLN C C 8 176.701 176.701 176.019 0.682 19282 4812 1 7 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.550 -0.465 19282 4813 1 7 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.555 0.288 19282 4814 1 7 . 1 1 8 8 GLN H H 8 8.443 8.443 8.665 -0.222 19282 4815 1 7 . 1 1 9 9 ASP N N 9 116.982 116.982 118.442 -1.460 19282 4816 1 7 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.759 -0.243 19282 4817 1 7 . 1 1 9 9 ASP C C 9 176.201 176.201 175.913 0.288 19282 4818 1 7 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.638 1.975 19282 4819 1 7 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.816 -1.404 19282 4820 1 7 . 1 1 9 9 ASP H H 9 9.023 9.023 8.454 0.569 19282 4821 1 7 . 1 1 10 10 TRP N N 10 121.568 121.568 118.705 2.863 19282 4822 1 7 . 1 1 10 10 TRP HA H 10 5.063 5.063 4.957 0.106 19282 4823 1 7 . 1 1 10 10 TRP C C 10 175.997 175.997 176.517 -0.520 19282 4824 1 7 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.966 0.698 19282 4825 1 7 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.566 -1.491 19282 4826 1 7 . 1 1 10 10 TRP H H 10 8.440 8.440 7.715 0.725 19282 4827 1 7 . 1 1 11 11 LEU N N 11 123.195 123.195 124.051 -0.856 19282 4828 1 7 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.881 -0.117 19282 4829 1 7 . 1 1 11 11 LEU C C 11 176.837 176.837 175.899 0.938 19282 4830 1 7 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.463 1.144 19282 4831 1 7 . 1 1 11 11 LEU CB C 11 44.386 44.386 44.877 -0.491 19282 4832 1 7 . 1 1 11 11 LEU H H 11 9.613 9.613 9.403 0.210 19282 4833 1 7 . 1 1 12 12 SER N N 12 116.705 116.705 122.842 -6.137 19282 4834 1 7 . 1 1 12 12 SER HA H 12 5.389 5.389 4.722 0.667 19282 4835 1 7 . 1 1 12 12 SER C C 12 174.164 174.164 173.604 0.560 19282 4836 1 7 . 1 1 12 12 SER CA C 12 57.066 57.066 57.703 -0.637 19282 4837 1 7 . 1 1 12 12 SER CB C 12 65.488 65.488 64.143 1.345 19282 4838 1 7 . 1 1 12 12 SER H H 12 8.733 8.733 8.855 -0.122 19282 4839 1 7 . 1 1 13 13 HIS N N 13 123.615 123.615 125.994 -2.379 19282 4840 1 7 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.267 0.038 19282 4841 1 7 . 1 1 13 13 HIS C C 13 173.536 173.536 174.226 -0.690 19282 4842 1 7 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.920 1.357 19282 4843 1 7 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.619 0.333 19282 4844 1 7 . 1 1 13 13 HIS H H 13 8.303 8.303 8.666 -0.363 19282 4845 1 7 . 1 1 14 14 ARG N N 14 125.609 125.609 124.996 0.613 19282 4846 1 7 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.691 -0.169 19282 4847 1 7 . 1 1 14 14 ARG C C 14 175.434 175.434 175.623 -0.189 19282 4848 1 7 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.483 -0.070 19282 4849 1 7 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.352 -0.570 19282 4850 1 7 . 1 1 14 14 ARG H H 14 8.858 8.858 8.667 0.191 19282 4851 1 7 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.878 -0.115 19282 4852 1 7 . 1 1 15 15 ASP C C 15 174.250 174.250 174.676 -0.426 19282 4853 1 7 . 1 1 15 15 ASP CA C 15 54.485 54.485 53.698 0.787 19282 4854 1 7 . 1 1 15 15 ASP CB C 15 40.448 40.448 42.396 -1.948 19282 4855 1 7 . 1 1 16 16 LYS N N 16 118.266 118.266 118.552 -0.286 19282 4856 1 7 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.791 0.225 19282 4857 1 7 . 1 1 16 16 LYS C C 16 175.472 175.472 173.718 1.754 19282 4858 1 7 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.934 0.630 19282 4859 1 7 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.200 1.105 19282 4860 1 7 . 1 1 16 16 LYS H H 16 8.289 8.289 7.989 0.300 19282 4861 1 7 . 1 1 17 17 CYS N N 17 118.232 118.232 119.113 -0.881 19282 4862 1 7 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.116 0.818 19282 4863 1 7 . 1 1 17 17 CYS C C 17 174.859 174.859 173.135 1.724 19282 4864 1 7 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.509 -4.962 19282 4865 1 7 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.240 13.957 19282 4866 1 7 . 1 1 17 17 CYS H H 17 8.492 8.492 8.359 0.133 19282 4867 1 7 . 1 1 18 18 PHE N N 18 121.121 121.121 124.716 -3.595 19282 4868 1 7 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.782 0.464 19282 4869 1 7 . 1 1 18 18 PHE C C 18 174.238 174.238 174.689 -0.451 19282 4870 1 7 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.578 1.849 19282 4871 1 7 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.261 0.929 19282 4872 1 7 . 1 1 18 18 PHE H H 18 10.029 10.029 9.496 0.533 19282 4873 1 7 . 1 1 19 19 HIS N N 19 122.393 122.393 121.033 1.360 19282 4874 1 7 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.512 -0.149 19282 4875 1 7 . 1 1 19 19 HIS C C 19 172.933 172.933 172.644 0.289 19282 4876 1 7 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.592 0.490 19282 4877 1 7 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.368 -1.969 19282 4878 1 7 . 1 1 19 19 HIS H H 19 8.624 8.624 9.160 -0.536 19282 4879 1 7 . 1 1 20 20 VAL N N 20 128.351 128.351 128.666 -0.315 19282 4880 1 7 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.816 0.375 19282 4881 1 7 . 1 1 20 20 VAL C C 20 174.971 174.971 175.084 -0.113 19282 4882 1 7 . 1 1 20 20 VAL CA C 20 61.049 61.049 61.664 -0.615 19282 4883 1 7 . 1 1 20 20 VAL CB C 20 32.109 32.109 30.590 1.519 19282 4884 1 7 . 1 1 20 20 VAL H H 20 7.880 7.880 8.111 -0.231 19282 4885 1 7 . 1 1 21 21 SER N N 21 123.985 123.985 124.292 -0.307 19282 4886 1 7 . 1 1 21 21 SER HA H 21 3.904 3.904 4.168 -0.264 19282 4887 1 7 . 1 1 21 21 SER C C 21 173.842 173.842 174.395 -0.553 19282 4888 1 7 . 1 1 21 21 SER CA C 21 59.417 59.417 57.932 1.485 19282 4889 1 7 . 1 1 21 21 SER CB C 21 62.993 62.993 62.517 0.475 19282 4890 1 7 . 1 1 21 21 SER H H 21 8.802 8.802 8.194 0.608 19282 4891 1 7 . 1 1 22 22 GLN N N 22 118.390 118.390 124.755 -6.365 19282 4892 1 7 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.278 -0.005 19282 4893 1 7 . 1 1 22 22 GLN C C 22 175.650 175.650 174.715 0.935 19282 4894 1 7 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.932 -0.206 19282 4895 1 7 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.602 1.440 19282 4896 1 7 . 1 1 22 22 GLN H H 22 8.866 8.866 8.525 0.341 19282 4897 1 7 . 1 1 23 23 VAL N N 23 113.258 113.258 111.497 1.761 19282 4898 1 7 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.441 -0.127 19282 4899 1 7 . 1 1 23 23 VAL C C 23 172.691 172.691 175.190 -2.499 19282 4900 1 7 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.350 0.436 19282 4901 1 7 . 1 1 23 23 VAL CB C 23 34.368 34.368 34.300 0.069 19282 4902 1 7 . 1 1 23 23 VAL H H 23 6.897 6.897 7.168 -0.271 19282 4903 1 7 . 1 1 24 24 SER N N 24 115.205 115.205 119.285 -4.080 19282 4904 1 7 . 1 1 24 24 SER HA H 24 4.894 4.894 5.374 -0.480 19282 4905 1 7 . 1 1 24 24 SER C C 24 173.846 173.846 174.227 -0.381 19282 4906 1 7 . 1 1 24 24 SER CA C 24 56.040 56.040 58.354 -2.314 19282 4907 1 7 . 1 1 24 24 SER CB C 24 65.361 65.361 65.025 0.336 19282 4908 1 7 . 1 1 24 24 SER H H 24 8.125 8.125 8.411 -0.286 19282 4909 1 7 . 1 1 25 25 ASN N N 25 122.669 122.669 120.915 1.754 19282 4910 1 7 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.336 -0.248 19282 4911 1 7 . 1 1 25 25 ASN C C 25 175.285 175.285 174.200 1.085 19282 4912 1 7 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.344 0.686 19282 4913 1 7 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.815 -1.280 19282 4914 1 7 . 1 1 25 25 ASN H H 25 9.854 9.854 9.515 0.339 19282 4915 1 7 . 1 1 26 26 THR N N 26 113.569 113.569 112.443 1.126 19282 4916 1 7 . 1 1 26 26 THR HA H 26 5.520 5.520 5.403 0.117 19282 4917 1 7 . 1 1 26 26 THR C C 26 174.350 174.350 175.636 -1.286 19282 4918 1 7 . 1 1 26 26 THR CA C 26 61.930 61.930 60.702 1.228 19282 4919 1 7 . 1 1 26 26 THR CB C 26 70.719 70.719 70.648 0.071 19282 4920 1 7 . 1 1 26 26 THR H H 26 9.718 9.718 9.271 0.447 19282 4921 1 7 . 1 1 27 27 TRP N N 27 121.857 121.857 123.578 -1.721 19282 4922 1 7 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.185 -0.568 19282 4923 1 7 . 1 1 27 27 TRP C C 27 177.624 177.624 177.478 0.146 19282 4924 1 7 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.255 0.396 19282 4925 1 7 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.043 1.385 19282 4926 1 7 . 1 1 27 27 TRP H H 27 7.836 7.836 8.487 -0.651 19282 4927 1 7 . 1 1 28 28 GLU N N 28 114.949 114.949 116.046 -1.097 19282 4928 1 7 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.550 0.158 19282 4929 1 7 . 1 1 28 28 GLU C C 28 178.928 178.928 178.535 0.393 19282 4930 1 7 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.302 0.287 19282 4931 1 7 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.077 0.403 19282 4932 1 7 . 1 1 28 28 GLU H H 28 8.827 8.827 8.606 0.221 19282 4933 1 7 . 1 1 29 29 GLU N N 29 118.462 118.462 120.759 -2.297 19282 4934 1 7 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.956 -0.030 19282 4935 1 7 . 1 1 29 29 GLU C C 29 179.587 179.587 178.757 0.830 19282 4936 1 7 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.500 0.069 19282 4937 1 7 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.295 -1.162 19282 4938 1 7 . 1 1 29 29 GLU H H 29 7.259 7.259 7.679 -0.420 19282 4939 1 7 . 1 1 30 30 GLY N N 30 112.186 112.186 107.578 4.608 19282 4940 1 7 . 1 1 30 30 GLY C C 30 173.516 173.516 175.298 -1.782 19282 4941 1 7 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.895 -0.153 19282 4942 1 7 . 1 1 30 30 GLY H H 30 7.871 7.871 8.158 -0.287 19282 4943 1 7 . 1 1 31 31 LEU N N 31 122.216 122.216 122.563 -0.347 19282 4944 1 7 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.751 -0.406 19282 4945 1 7 . 1 1 31 31 LEU C C 31 179.828 179.828 178.579 1.249 19282 4946 1 7 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.308 1.647 19282 4947 1 7 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.773 -0.298 19282 4948 1 7 . 1 1 31 31 LEU H H 31 7.610 7.610 7.359 0.251 19282 4949 1 7 . 1 1 32 32 VAL N N 32 118.301 118.301 118.102 0.199 19282 4950 1 7 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.573 0.078 19282 4951 1 7 . 1 1 32 32 VAL C C 32 179.041 179.041 178.198 0.843 19282 4952 1 7 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.209 -0.342 19282 4953 1 7 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.276 0.700 19282 4954 1 7 . 1 1 32 32 VAL H H 32 7.571 7.571 7.596 -0.025 19282 4955 1 7 . 1 1 33 33 ASP N N 33 123.085 123.085 120.236 2.849 19282 4956 1 7 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.401 -0.024 19282 4957 1 7 . 1 1 33 33 ASP C C 33 179.766 179.766 178.097 1.669 19282 4958 1 7 . 1 1 33 33 ASP CA C 33 58.137 58.137 57.703 0.434 19282 4959 1 7 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.976 2.459 19282 4960 1 7 . 1 1 33 33 ASP H H 33 7.924 7.924 7.691 0.233 19282 4961 1 7 . 1 1 34 34 CYS N N 34 115.181 115.181 116.890 -1.709 19282 4962 1 7 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.458 0.046 19282 4963 1 7 . 1 1 34 34 CYS C C 34 177.697 177.697 177.268 0.429 19282 4964 1 7 . 1 1 34 34 CYS CA C 34 56.070 56.070 60.811 -4.741 19282 4965 1 7 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.511 7.910 19282 4966 1 7 . 1 1 34 34 CYS H H 34 8.486 8.486 7.901 0.585 19282 4967 1 7 . 1 1 35 35 ASP N N 35 123.300 123.300 120.956 2.344 19282 4968 1 7 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.657 0.097 19282 4969 1 7 . 1 1 35 35 ASP C C 35 180.457 180.457 179.291 1.166 19282 4970 1 7 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.850 0.420 19282 4971 1 7 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.434 1.709 19282 4972 1 7 . 1 1 35 35 ASP H H 35 8.458 8.458 7.949 0.509 19282 4973 1 7 . 1 1 36 36 GLY N N 36 107.140 107.140 109.143 -2.003 19282 4974 1 7 . 1 1 36 36 GLY C C 36 175.345 175.345 175.531 -0.186 19282 4975 1 7 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.980 -0.104 19282 4976 1 7 . 1 1 36 36 GLY H H 36 8.281 8.281 7.889 0.392 19282 4977 1 7 . 1 1 37 37 LYS N N 37 119.450 119.450 120.284 -0.834 19282 4978 1 7 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.521 0.025 19282 4979 1 7 . 1 1 37 37 LYS C C 37 176.415 176.415 176.044 0.371 19282 4980 1 7 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.152 1.678 19282 4981 1 7 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.390 1.364 19282 4982 1 7 . 1 1 37 37 LYS H H 37 7.587 7.587 7.566 0.021 19282 4983 1 7 . 1 1 38 38 GLY N N 38 109.781 109.781 106.996 2.785 19282 4984 1 7 . 1 1 38 38 GLY C C 38 174.144 174.144 173.542 0.602 19282 4985 1 7 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.519 1.272 19282 4986 1 7 . 1 1 38 38 GLY H H 38 8.205 8.205 7.957 0.248 19282 4987 1 7 . 1 1 39 39 ALA N N 39 123.317 123.317 121.307 2.010 19282 4988 1 7 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.350 -0.234 19282 4989 1 7 . 1 1 39 39 ALA C C 39 174.817 174.817 175.576 -0.759 19282 4990 1 7 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.521 -0.347 19282 4991 1 7 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.942 2.211 19282 4992 1 7 . 1 1 39 39 ALA H H 39 8.107 8.107 7.771 0.336 19282 4993 1 7 . 1 1 40 40 THR N N 40 108.747 108.747 110.236 -1.489 19282 4994 1 7 . 1 1 40 40 THR HA H 40 5.080 5.080 4.756 0.324 19282 4995 1 7 . 1 1 40 40 THR C C 40 175.723 175.723 173.748 1.975 19282 4996 1 7 . 1 1 40 40 THR CA C 40 60.173 60.173 59.523 0.650 19282 4997 1 7 . 1 1 40 40 THR CB C 40 72.452 72.452 71.637 0.815 19282 4998 1 7 . 1 1 40 40 THR H H 40 8.566 8.566 8.977 -0.411 19282 4999 1 7 . 1 1 41 41 LEU N N 41 123.750 123.750 123.847 -0.097 19282 5000 1 7 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.471 0.583 19282 5001 1 7 . 1 1 41 41 LEU C C 41 177.800 177.800 177.588 0.212 19282 5002 1 7 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.786 0.890 19282 5003 1 7 . 1 1 41 41 LEU CB C 41 44.624 44.624 43.045 1.579 19282 5004 1 7 . 1 1 41 41 LEU H H 41 7.791 7.791 8.581 -0.790 19282 5005 1 7 . 1 1 42 42 MET N N 42 116.452 116.452 127.133 -10.681 19282 5006 1 7 . 1 1 42 42 MET HA H 42 4.098 4.098 4.316 -0.218 19282 5007 1 7 . 1 1 42 42 MET C C 42 174.097 174.097 174.592 -0.495 19282 5008 1 7 . 1 1 42 42 MET CA C 42 57.887 57.887 55.791 2.096 19282 5009 1 7 . 1 1 42 42 MET CB C 42 34.299 34.299 32.184 2.115 19282 5010 1 7 . 1 1 42 42 MET H H 42 7.983 7.983 9.043 -1.060 19282 5011 1 7 . 1 1 43 43 LEU N N 43 128.106 128.106 128.639 -0.533 19282 5012 1 7 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.868 0.649 19282 5013 1 7 . 1 1 43 43 LEU C C 43 174.928 174.928 175.287 -0.359 19282 5014 1 7 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.421 1.112 19282 5015 1 7 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.109 1.719 19282 5016 1 7 . 1 1 43 43 LEU H H 43 8.078 8.078 8.303 -0.225 19282 5017 1 7 . 1 1 44 44 ILE N N 44 118.686 118.686 124.248 -5.562 19282 5018 1 7 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.951 0.251 19282 5019 1 7 . 1 1 44 44 ILE C C 44 175.736 175.736 175.727 0.009 19282 5020 1 7 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.538 -0.487 19282 5021 1 7 . 1 1 44 44 ILE CB C 44 38.168 38.168 37.895 0.273 19282 5022 1 7 . 1 1 44 44 ILE H H 44 5.273 5.273 7.419 -2.146 19282 5023 1 7 . 1 1 45 45 GLN N N 45 127.754 127.754 126.610 1.144 19282 5024 1 7 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.179 0.000 19282 5025 1 7 . 1 1 45 45 GLN C C 45 175.402 175.402 175.258 0.144 19282 5026 1 7 . 1 1 45 45 GLN CA C 45 57.103 57.103 57.343 -0.240 19282 5027 1 7 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.202 0.631 19282 5028 1 7 . 1 1 45 45 GLN H H 45 9.722 9.722 8.519 1.203 19282 5029 1 7 . 1 1 46 46 ASP N N 46 114.490 114.490 114.337 0.153 19282 5030 1 7 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.856 -0.212 19282 5031 1 7 . 1 1 46 46 ASP C C 46 175.286 175.286 175.561 -0.275 19282 5032 1 7 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.090 0.166 19282 5033 1 7 . 1 1 46 46 ASP CB C 46 42.752 42.752 43.098 -0.346 19282 5034 1 7 . 1 1 46 46 ASP H H 46 7.545 7.545 7.640 -0.095 19282 5035 1 7 . 1 1 47 47 GLN N N 47 118.745 118.745 119.373 -0.628 19282 5036 1 7 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.062 -0.059 19282 5037 1 7 . 1 1 47 47 GLN C C 47 177.858 177.858 177.546 0.312 19282 5038 1 7 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.712 0.282 19282 5039 1 7 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.817 -0.349 19282 5040 1 7 . 1 1 47 47 GLN H H 47 8.954 8.954 8.775 0.179 19282 5041 1 7 . 1 1 48 48 GLU N N 48 121.721 121.721 119.138 2.583 19282 5042 1 7 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.103 -0.021 19282 5043 1 7 . 1 1 48 48 GLU C C 48 179.073 179.073 179.163 -0.090 19282 5044 1 7 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.626 0.325 19282 5045 1 7 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.341 -0.594 19282 5046 1 7 . 1 1 48 48 GLU H H 48 8.532 8.532 8.723 -0.191 19282 5047 1 7 . 1 1 49 49 GLU N N 49 120.709 120.709 119.679 1.030 19282 5048 1 7 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.236 -0.460 19282 5049 1 7 . 1 1 49 49 GLU C C 49 177.707 177.707 179.173 -1.466 19282 5050 1 7 . 1 1 49 49 GLU CA C 49 59.829 59.829 58.873 0.956 19282 5051 1 7 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.252 1.375 19282 5052 1 7 . 1 1 49 49 GLU H H 49 8.336 8.336 7.817 0.519 19282 5053 1 7 . 1 1 50 50 LEU N N 50 118.070 118.070 119.762 -1.692 19282 5054 1 7 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.885 0.052 19282 5055 1 7 . 1 1 50 50 LEU C C 50 177.342 177.342 178.938 -1.596 19282 5056 1 7 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.867 0.408 19282 5057 1 7 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.469 0.236 19282 5058 1 7 . 1 1 50 50 LEU H H 50 7.175 7.175 7.468 -0.293 19282 5059 1 7 . 1 1 51 51 ARG N N 51 117.898 117.898 119.794 -1.896 19282 5060 1 7 . 1 1 51 51 ARG HA H 51 3.807 3.807 3.972 -0.165 19282 5061 1 7 . 1 1 51 51 ARG C C 51 177.876 177.876 178.702 -0.826 19282 5062 1 7 . 1 1 51 51 ARG CA C 51 59.373 59.373 59.469 -0.096 19282 5063 1 7 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.796 0.132 19282 5064 1 7 . 1 1 51 51 ARG H H 51 8.135 8.135 8.670 -0.535 19282 5065 1 7 . 1 1 52 52 PHE N N 52 118.865 118.865 120.707 -1.842 19282 5066 1 7 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.256 -0.128 19282 5067 1 7 . 1 1 52 52 PHE C C 52 178.379 178.379 177.564 0.815 19282 5068 1 7 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.675 0.605 19282 5069 1 7 . 1 1 52 52 PHE CB C 52 38.514 38.514 38.838 -0.324 19282 5070 1 7 . 1 1 52 52 PHE H H 52 8.003 8.003 7.704 0.299 19282 5071 1 7 . 1 1 53 53 LEU N N 53 122.451 122.451 121.948 0.503 19282 5072 1 7 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.876 -0.472 19282 5073 1 7 . 1 1 53 53 LEU C C 53 178.870 178.870 179.072 -0.202 19282 5074 1 7 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.687 -0.391 19282 5075 1 7 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.796 0.535 19282 5076 1 7 . 1 1 53 53 LEU H H 53 7.824 7.824 8.055 -0.231 19282 5077 1 7 . 1 1 54 54 LEU N N 54 117.828 117.828 119.196 -1.368 19282 5078 1 7 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.805 -0.018 19282 5079 1 7 . 1 1 54 54 LEU C C 54 179.783 179.783 179.479 0.304 19282 5080 1 7 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.130 -0.197 19282 5081 1 7 . 1 1 54 54 LEU CB C 54 40.931 40.931 41.085 -0.154 19282 5082 1 7 . 1 1 54 54 LEU H H 54 8.361 8.361 8.596 -0.235 19282 5083 1 7 . 1 1 55 55 ASP N N 55 116.846 116.846 117.473 -0.627 19282 5084 1 7 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.399 -0.022 19282 5085 1 7 . 1 1 55 55 ASP C C 55 177.824 177.824 177.442 0.382 19282 5086 1 7 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.897 -0.665 19282 5087 1 7 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.640 0.193 19282 5088 1 7 . 1 1 55 55 ASP H H 55 7.933 7.933 8.163 -0.230 19282 5089 1 7 . 1 1 56 56 SER N N 56 114.399 114.399 114.576 -0.177 19282 5090 1 7 . 1 1 56 56 SER HA H 56 4.122 4.122 4.205 -0.083 19282 5091 1 7 . 1 1 56 56 SER C C 56 174.277 174.277 176.189 -1.912 19282 5092 1 7 . 1 1 56 56 SER CA C 56 60.677 60.677 59.956 0.720 19282 5093 1 7 . 1 1 56 56 SER CB C 56 63.675 63.675 63.931 -0.256 19282 5094 1 7 . 1 1 56 56 SER H H 56 7.441 7.441 7.443 -0.002 19282 5095 1 7 . 1 1 57 57 ILE N N 57 121.159 121.159 122.142 -0.983 19282 5096 1 7 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.661 0.136 19282 5097 1 7 . 1 1 57 57 ILE C C 57 175.873 175.873 177.338 -1.465 19282 5098 1 7 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.685 -0.874 19282 5099 1 7 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.421 1.145 19282 5100 1 7 . 1 1 57 57 ILE H H 57 7.378 7.378 8.282 -0.904 19282 5101 1 7 . 1 1 58 58 LYS N N 58 124.292 124.292 117.297 6.995 19282 5102 1 7 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.690 0.474 19282 5103 1 7 . 1 1 58 58 LYS C C 58 177.266 177.266 177.832 -0.566 19282 5104 1 7 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.923 -1.599 19282 5105 1 7 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.123 2.167 19282 5106 1 7 . 1 1 58 58 LYS H H 58 8.218 8.218 7.541 0.677 19282 5107 1 7 . 1 1 59 59 GLU N N 59 119.807 119.807 118.687 1.120 19282 5108 1 7 . 1 1 59 59 GLU HA H 59 4.351 4.351 3.961 0.390 19282 5109 1 7 . 1 1 59 59 GLU C C 59 176.023 176.023 178.266 -2.243 19282 5110 1 7 . 1 1 59 59 GLU CA C 59 55.914 55.914 59.160 -3.245 19282 5111 1 7 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.801 -0.970 19282 5112 1 7 . 1 1 59 59 GLU H H 59 7.761 7.761 8.246 -0.485 19282 5113 1 7 . 1 1 60 60 LYS N N 60 120.606 120.606 111.898 8.708 19282 5114 1 7 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.837 0.320 19282 5115 1 7 . 1 1 60 60 LYS C C 60 176.229 176.229 176.797 -0.568 19282 5116 1 7 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.688 -1.681 19282 5117 1 7 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.278 2.153 19282 5118 1 7 . 1 1 60 60 LYS H H 60 8.051 8.051 8.482 -0.431 19282 5119 1 7 . 1 1 61 61 TYR N N 61 115.876 115.876 119.220 -3.344 19282 5120 1 7 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.411 0.183 19282 5121 1 7 . 1 1 61 61 TYR C C 61 175.714 175.714 175.707 0.007 19282 5122 1 7 . 1 1 61 61 TYR CA C 61 57.110 57.110 57.888 -0.778 19282 5123 1 7 . 1 1 61 61 TYR CB C 61 37.499 37.499 36.567 0.932 19282 5124 1 7 . 1 1 61 61 TYR H H 61 7.756 7.756 7.165 0.591 19282 5125 1 7 . 1 1 62 62 ASN N N 62 118.634 118.634 116.970 1.664 19282 5126 1 7 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.728 0.002 19282 5127 1 7 . 1 1 62 62 ASN C C 62 173.016 173.016 173.135 -0.119 19282 5128 1 7 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.623 1.031 19282 5129 1 7 . 1 1 62 62 ASN CB C 62 41.378 41.378 41.430 -0.052 19282 5130 1 7 . 1 1 62 62 ASN H H 62 7.477 7.477 7.817 -0.340 19282 5131 1 7 . 1 1 63 63 SER N N 63 115.211 115.211 114.822 0.389 19282 5132 1 7 . 1 1 63 63 SER HA H 63 5.256 5.256 5.349 -0.093 19282 5133 1 7 . 1 1 63 63 SER C C 63 172.817 172.817 172.588 0.229 19282 5134 1 7 . 1 1 63 63 SER CA C 63 57.506 57.506 57.497 0.009 19282 5135 1 7 . 1 1 63 63 SER CB C 63 63.821 63.821 65.375 -1.554 19282 5136 1 7 . 1 1 63 63 SER H H 63 8.107 8.107 7.785 0.322 19282 5137 1 7 . 1 1 64 64 PHE N N 64 118.959 118.959 122.214 -3.255 19282 5138 1 7 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.019 -0.431 19282 5139 1 7 . 1 1 64 64 PHE C C 64 175.495 175.495 175.474 0.021 19282 5140 1 7 . 1 1 64 64 PHE CA C 64 55.442 55.442 56.009 -0.567 19282 5141 1 7 . 1 1 64 64 PHE CB C 64 42.226 42.226 41.294 0.932 19282 5142 1 7 . 1 1 64 64 PHE H H 64 8.735 8.735 8.581 0.154 19282 5143 1 7 . 1 1 65 65 TRP N N 65 124.651 124.651 125.275 -0.624 19282 5144 1 7 . 1 1 65 65 TRP HA H 65 5.743 5.743 5.012 0.731 19282 5145 1 7 . 1 1 65 65 TRP C C 65 175.951 175.951 176.683 -0.732 19282 5146 1 7 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.204 -0.126 19282 5147 1 7 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.085 2.591 19282 5148 1 7 . 1 1 65 65 TRP H H 65 10.282 10.282 9.192 1.090 19282 5149 1 7 . 1 1 66 66 ILE N N 66 109.430 109.430 116.396 -6.966 19282 5150 1 7 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.139 0.135 19282 5151 1 7 . 1 1 66 66 ILE C C 66 177.380 177.380 177.490 -0.110 19282 5152 1 7 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.100 1.498 19282 5153 1 7 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.626 1.138 19282 5154 1 7 . 1 1 66 66 ILE H H 66 8.443 8.443 8.754 -0.311 19282 5155 1 7 . 1 1 67 67 GLY N N 67 111.319 111.319 110.468 0.851 19282 5156 1 7 . 1 1 67 67 GLY C C 67 172.897 172.897 173.529 -0.632 19282 5157 1 7 . 1 1 67 67 GLY CA C 67 49.995 49.995 46.045 3.950 19282 5158 1 7 . 1 1 67 67 GLY H H 67 10.395 10.395 9.275 1.120 19282 5159 1 7 . 1 1 68 68 LEU N N 68 127.499 127.499 122.104 5.395 19282 5160 1 7 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.298 0.586 19282 5161 1 7 . 1 1 68 68 LEU C C 68 173.367 173.367 175.514 -2.147 19282 5162 1 7 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.069 0.568 19282 5163 1 7 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.893 3.188 19282 5164 1 7 . 1 1 68 68 LEU H H 68 8.446 8.446 8.428 0.018 19282 5165 1 7 . 1 1 69 69 ARG N N 69 124.432 124.432 122.216 2.216 19282 5166 1 7 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.720 0.190 19282 5167 1 7 . 1 1 69 69 ARG C C 69 173.026 173.026 173.796 -0.770 19282 5168 1 7 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.759 1.719 19282 5169 1 7 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.124 1.220 19282 5170 1 7 . 1 1 69 69 ARG H H 69 8.479 8.479 8.496 -0.017 19282 5171 1 7 . 1 1 70 70 TYR N N 70 128.687 128.687 126.820 1.867 19282 5172 1 7 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.902 -0.026 19282 5173 1 7 . 1 1 70 70 TYR C C 70 175.118 175.118 174.324 0.794 19282 5174 1 7 . 1 1 70 70 TYR CA C 70 57.747 57.747 56.413 1.334 19282 5175 1 7 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.125 0.106 19282 5176 1 7 . 1 1 70 70 TYR H H 70 7.936 7.936 8.421 -0.485 19282 5177 1 7 . 1 1 71 71 THR N N 71 120.097 120.097 120.579 -0.482 19282 5178 1 7 . 1 1 71 71 THR HA H 71 4.477 4.477 4.508 -0.031 19282 5179 1 7 . 1 1 71 71 THR C C 71 172.547 172.547 173.137 -0.590 19282 5180 1 7 . 1 1 71 71 THR CA C 71 60.631 60.631 60.609 0.022 19282 5181 1 7 . 1 1 71 71 THR CB C 71 71.324 71.324 69.447 1.877 19282 5182 1 7 . 1 1 71 71 THR H H 71 7.701 7.701 7.924 -0.223 19282 5183 1 7 . 1 1 72 72 LEU N N 72 125.241 125.241 126.290 -1.049 19282 5184 1 7 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.746 -0.480 19282 5185 1 7 . 1 1 72 72 LEU C C 72 175.916 175.916 174.723 1.193 19282 5186 1 7 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.716 1.158 19282 5187 1 7 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.642 -1.822 19282 5188 1 7 . 1 1 72 72 LEU H H 72 8.487 8.487 8.776 -0.289 19282 5189 1 7 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.590 -0.181 19282 5190 1 7 . 1 1 73 73 PRO C C 73 176.278 176.278 175.264 1.014 19282 5191 1 7 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.698 0.851 19282 5192 1 7 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.586 1.550 19282 5193 1 7 . 1 1 74 74 ASP N N 74 123.018 123.018 122.968 0.050 19282 5194 1 7 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.486 -0.329 19282 5195 1 7 . 1 1 74 74 ASP C C 74 175.592 175.592 175.876 -0.284 19282 5196 1 7 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.428 2.100 19282 5197 1 7 . 1 1 74 74 ASP CB C 74 39.688 39.688 42.482 -2.794 19282 5198 1 7 . 1 1 74 74 ASP H H 74 8.716 8.716 8.063 0.653 19282 5199 1 7 . 1 1 75 75 MET N N 75 113.361 113.361 115.493 -2.132 19282 5200 1 7 . 1 1 75 75 MET HA H 75 3.319 3.319 3.807 -0.488 19282 5201 1 7 . 1 1 75 75 MET C C 75 174.354 174.354 174.373 -0.019 19282 5202 1 7 . 1 1 75 75 MET CA C 75 56.042 56.042 56.930 -0.888 19282 5203 1 7 . 1 1 75 75 MET CB C 75 29.181 29.181 31.253 -2.072 19282 5204 1 7 . 1 1 75 75 MET H H 75 8.421 8.421 7.855 0.566 19282 5205 1 7 . 1 1 76 76 ASN N N 76 112.997 112.997 115.997 -3.000 19282 5206 1 7 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.257 -0.449 19282 5207 1 7 . 1 1 76 76 ASN C C 76 173.984 173.984 173.559 0.425 19282 5208 1 7 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.335 -1.052 19282 5209 1 7 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.527 -0.704 19282 5210 1 7 . 1 1 76 76 ASN H H 76 6.883 6.883 7.865 -0.982 19282 5211 1 7 . 1 1 77 77 TRP N N 77 122.857 122.857 121.572 1.285 19282 5212 1 7 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.167 -0.633 19282 5213 1 7 . 1 1 77 77 TRP C C 77 175.329 175.329 176.004 -0.675 19282 5214 1 7 . 1 1 77 77 TRP CA C 77 57.615 57.615 57.002 0.613 19282 5215 1 7 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.374 0.743 19282 5216 1 7 . 1 1 77 77 TRP H H 77 8.766 8.766 8.929 -0.163 19282 5217 1 7 . 1 1 78 78 LYS N N 78 121.731 121.731 121.516 0.215 19282 5218 1 7 . 1 1 78 78 LYS HA H 78 4.969 4.969 5.059 -0.090 19282 5219 1 7 . 1 1 78 78 LYS C C 78 177.225 177.225 175.778 1.447 19282 5220 1 7 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.739 0.410 19282 5221 1 7 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.144 0.553 19282 5222 1 7 . 1 1 78 78 LYS H H 78 8.584 8.584 8.285 0.299 19282 5223 1 7 . 1 1 79 79 TRP N N 79 124.809 124.809 120.490 4.319 19282 5224 1 7 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.843 -0.166 19282 5225 1 7 . 1 1 79 79 TRP C C 79 180.969 180.969 179.367 1.602 19282 5226 1 7 . 1 1 79 79 TRP CA C 79 56.692 56.692 55.970 0.722 19282 5227 1 7 . 1 1 79 79 TRP CB C 79 31.944 31.944 31.006 0.938 19282 5228 1 7 . 1 1 79 79 TRP H H 79 9.045 9.045 8.751 0.294 19282 5229 1 7 . 1 1 80 80 ILE N N 80 114.947 114.947 118.806 -3.859 19282 5230 1 7 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.822 0.533 19282 5231 1 7 . 1 1 80 80 ILE C C 80 175.690 175.690 176.408 -0.718 19282 5232 1 7 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.424 -0.642 19282 5233 1 7 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.522 0.762 19282 5234 1 7 . 1 1 80 80 ILE H H 80 8.493 8.493 8.520 -0.027 19282 5235 1 7 . 1 1 81 81 ASN N N 81 116.185 116.185 117.001 -0.816 19282 5236 1 7 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.602 0.290 19282 5237 1 7 . 1 1 81 81 ASN C C 81 176.344 176.344 176.387 -0.043 19282 5238 1 7 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.992 -0.205 19282 5239 1 7 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.697 -0.919 19282 5240 1 7 . 1 1 81 81 ASN H H 81 7.370 7.370 8.068 -0.698 19282 5241 1 7 . 1 1 82 82 GLY N N 82 108.864 108.864 107.262 1.602 19282 5242 1 7 . 1 1 82 82 GLY C C 82 174.321 174.321 174.581 -0.260 19282 5243 1 7 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.009 0.297 19282 5244 1 7 . 1 1 82 82 GLY H H 82 8.621 8.621 8.132 0.489 19282 5245 1 7 . 1 1 83 83 SER N N 83 116.447 116.447 116.623 -0.176 19282 5246 1 7 . 1 1 83 83 SER HA H 83 4.688 4.688 4.622 0.066 19282 5247 1 7 . 1 1 83 83 SER C C 83 174.042 174.042 174.525 -0.483 19282 5248 1 7 . 1 1 83 83 SER CA C 83 58.822 58.822 59.563 -0.741 19282 5249 1 7 . 1 1 83 83 SER CB C 83 64.512 64.512 64.817 -0.305 19282 5250 1 7 . 1 1 83 83 SER H H 83 7.894 7.894 7.796 0.098 19282 5251 1 7 . 1 1 84 84 THR N N 84 117.358 117.358 116.849 0.509 19282 5252 1 7 . 1 1 84 84 THR HA H 84 4.628 4.628 4.857 -0.229 19282 5253 1 7 . 1 1 84 84 THR C C 84 174.906 174.906 173.858 1.048 19282 5254 1 7 . 1 1 84 84 THR CA C 84 62.727 62.727 62.271 0.456 19282 5255 1 7 . 1 1 84 84 THR CB C 84 70.047 70.047 71.276 -1.229 19282 5256 1 7 . 1 1 84 84 THR H H 84 8.710 8.710 8.576 0.134 19282 5257 1 7 . 1 1 85 85 LEU N N 85 125.457 125.457 126.846 -1.389 19282 5258 1 7 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.994 -0.575 19282 5259 1 7 . 1 1 85 85 LEU C C 85 175.973 175.973 176.411 -0.438 19282 5260 1 7 . 1 1 85 85 LEU CA C 85 56.168 56.168 54.360 1.808 19282 5261 1 7 . 1 1 85 85 LEU CB C 85 43.460 43.460 43.522 -0.062 19282 5262 1 7 . 1 1 85 85 LEU H H 85 8.244 8.244 8.190 0.054 19282 5263 1 7 . 1 1 86 86 ASN N N 86 126.729 126.729 124.691 2.038 19282 5264 1 7 . 1 1 86 86 ASN HA H 86 5.062 5.062 5.091 -0.029 19282 5265 1 7 . 1 1 86 86 ASN C C 86 176.112 176.112 175.654 0.458 19282 5266 1 7 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.422 -0.179 19282 5267 1 7 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.314 0.317 19282 5268 1 7 . 1 1 86 86 ASN H H 86 9.042 9.042 9.009 0.033 19282 5269 1 7 . 1 1 87 87 SER N N 87 120.386 120.386 121.098 -0.712 19282 5270 1 7 . 1 1 87 87 SER HA H 87 4.606 4.606 4.250 0.356 19282 5271 1 7 . 1 1 87 87 SER C C 87 174.673 174.673 175.559 -0.886 19282 5272 1 7 . 1 1 87 87 SER CA C 87 59.908 59.908 60.609 -0.701 19282 5273 1 7 . 1 1 87 87 SER CB C 87 63.602 63.602 62.958 0.644 19282 5274 1 7 . 1 1 87 87 SER H H 87 8.724 8.724 8.464 0.260 19282 5275 1 7 . 1 1 88 88 ASP N N 88 120.189 120.189 121.211 -1.022 19282 5276 1 7 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.571 0.006 19282 5277 1 7 . 1 1 88 88 ASP C C 88 177.211 177.211 177.237 -0.026 19282 5278 1 7 . 1 1 88 88 ASP CA C 88 55.987 55.987 55.795 0.192 19282 5279 1 7 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.462 0.179 19282 5280 1 7 . 1 1 88 88 ASP H H 88 8.464 8.464 8.482 -0.018 19282 5281 1 7 . 1 1 89 89 VAL N N 89 118.259 118.259 115.153 3.106 19282 5282 1 7 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.076 -0.089 19282 5283 1 7 . 1 1 89 89 VAL C C 89 175.071 175.071 175.889 -0.818 19282 5284 1 7 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.687 -0.253 19282 5285 1 7 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.650 0.313 19282 5286 1 7 . 1 1 89 89 VAL H H 89 7.783 7.783 7.518 0.265 19282 5287 1 7 . 1 1 90 90 LEU N N 90 118.198 118.198 118.400 -0.202 19282 5288 1 7 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.573 -0.093 19282 5289 1 7 . 1 1 90 90 LEU C C 90 173.881 173.881 175.327 -1.446 19282 5290 1 7 . 1 1 90 90 LEU CA C 90 54.366 54.366 53.278 1.089 19282 5291 1 7 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.492 -1.226 19282 5292 1 7 . 1 1 90 90 LEU H H 90 7.537 7.537 7.342 0.195 19282 5293 1 7 . 1 1 91 91 LYS N N 91 122.032 122.032 121.543 0.489 19282 5294 1 7 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.132 0.301 19282 5295 1 7 . 1 1 91 91 LYS C C 91 175.565 175.565 175.077 0.488 19282 5296 1 7 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.174 -1.999 19282 5297 1 7 . 1 1 91 91 LYS CB C 91 33.177 33.177 30.493 2.684 19282 5298 1 7 . 1 1 91 91 LYS H H 91 8.121 8.121 8.458 -0.337 19282 5299 1 7 . 1 1 92 92 ILE N N 92 123.168 123.168 124.066 -0.898 19282 5300 1 7 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.443 -0.176 19282 5301 1 7 . 1 1 92 92 ILE C C 92 176.136 176.136 174.820 1.316 19282 5302 1 7 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.760 0.438 19282 5303 1 7 . 1 1 92 92 ILE CB C 92 39.028 39.028 40.791 -1.763 19282 5304 1 7 . 1 1 92 92 ILE H H 92 8.086 8.086 7.573 0.513 19282 5305 1 7 . 1 1 93 93 THR N N 93 119.647 119.647 121.357 -1.710 19282 5306 1 7 . 1 1 93 93 THR HA H 93 4.487 4.487 4.125 0.362 19282 5307 1 7 . 1 1 93 93 THR C C 93 173.748 173.748 175.689 -1.941 19282 5308 1 7 . 1 1 93 93 THR CA C 93 61.605 61.605 64.149 -2.544 19282 5309 1 7 . 1 1 93 93 THR CB C 93 70.404 70.404 69.519 0.885 19282 5310 1 7 . 1 1 93 93 THR H H 93 8.238 8.238 8.120 0.118 19282 5311 1 7 . 1 1 94 94 GLY N N 94 111.397 111.397 112.155 -0.758 19282 5312 1 7 . 1 1 94 94 GLY C C 94 172.757 172.757 173.746 -0.989 19282 5313 1 7 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.417 -0.703 19282 5314 1 7 . 1 1 94 94 GLY H H 94 8.133 8.133 8.330 -0.197 19282 5315 1 7 . 1 1 95 95 ASP N N 95 119.905 119.905 119.663 0.242 19282 5316 1 7 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.346 0.397 19282 5317 1 7 . 1 1 95 95 ASP C C 95 175.600 175.600 175.172 0.428 19282 5318 1 7 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.207 0.976 19282 5319 1 7 . 1 1 95 95 ASP CB C 95 41.877 41.877 39.296 2.581 19282 5320 1 7 . 1 1 95 95 ASP H H 95 8.285 8.285 7.520 0.765 19282 5321 1 7 . 1 1 96 96 THR N N 96 115.409 115.409 117.093 -1.684 19282 5322 1 7 . 1 1 96 96 THR HA H 96 4.136 4.136 4.160 -0.024 19282 5323 1 7 . 1 1 96 96 THR C C 96 173.508 173.508 174.953 -1.445 19282 5324 1 7 . 1 1 96 96 THR CA C 96 61.369 61.369 62.672 -1.303 19282 5325 1 7 . 1 1 96 96 THR CB C 96 69.775 69.775 68.752 1.023 19282 5326 1 7 . 1 1 96 96 THR H H 96 7.936 7.936 7.060 0.876 19282 5327 1 7 . 1 1 97 97 GLU N N 97 123.162 123.162 114.872 8.290 19282 5328 1 7 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.044 0.180 19282 5329 1 7 . 1 1 97 97 GLU C C 97 175.455 175.455 174.828 0.627 19282 5330 1 7 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.949 -1.787 19282 5331 1 7 . 1 1 97 97 GLU CB C 97 30.688 30.688 28.306 2.382 19282 5332 1 7 . 1 1 97 97 GLU H H 97 8.186 8.186 8.487 -0.301 19282 5333 1 7 . 1 1 98 98 ASN N N 98 117.342 117.342 116.693 0.649 19282 5334 1 7 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.817 -0.296 19282 5335 1 7 . 1 1 98 98 ASN C C 98 174.251 174.251 174.549 -0.298 19282 5336 1 7 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.030 1.419 19282 5337 1 7 . 1 1 98 98 ASN CB C 98 40.229 40.229 39.928 0.300 19282 5338 1 7 . 1 1 98 98 ASN H H 98 7.997 7.997 7.690 0.307 19282 5339 1 7 . 1 1 99 99 ASP N N 99 120.235 120.235 121.193 -0.958 19282 5340 1 7 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.705 -0.112 19282 5341 1 7 . 1 1 99 99 ASP C C 99 176.261 176.261 176.001 0.260 19282 5342 1 7 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.708 1.430 19282 5343 1 7 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.191 0.204 19282 5344 1 7 . 1 1 99 99 ASP H H 99 8.365 8.365 8.663 -0.298 19282 5345 1 7 . 1 1 100 100 SER N N 100 116.248 116.248 115.236 1.012 19282 5346 1 7 . 1 1 100 100 SER HA H 100 4.990 4.990 4.231 0.759 19282 5347 1 7 . 1 1 100 100 SER C C 100 172.411 172.411 173.792 -1.381 19282 5348 1 7 . 1 1 100 100 SER CA C 100 59.212 59.212 58.803 0.409 19282 5349 1 7 . 1 1 100 100 SER CB C 100 66.127 66.127 64.282 1.845 19282 5350 1 7 . 1 1 100 100 SER H H 100 7.862 7.862 7.530 0.332 19282 5351 1 7 . 1 1 101 101 CYS N N 101 121.559 121.559 118.436 3.123 19282 5352 1 7 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.384 -0.328 19282 5353 1 7 . 1 1 101 101 CYS C C 101 172.356 172.356 173.966 -1.610 19282 5354 1 7 . 1 1 101 101 CYS CA C 101 59.446 59.446 54.739 4.707 19282 5355 1 7 . 1 1 101 101 CYS CB C 101 45.631 45.631 29.768 15.863 19282 5356 1 7 . 1 1 101 101 CYS H H 101 9.231 9.231 8.597 0.634 19282 5357 1 7 . 1 1 102 102 ALA N N 102 124.390 124.390 122.784 1.606 19282 5358 1 7 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.631 -0.251 19282 5359 1 7 . 1 1 102 102 ALA C C 102 175.442 175.442 175.745 -0.303 19282 5360 1 7 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.234 1.393 19282 5361 1 7 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.761 0.210 19282 5362 1 7 . 1 1 102 102 ALA H H 102 8.393 8.393 8.537 -0.144 19282 5363 1 7 . 1 1 103 103 ALA N N 103 120.824 120.824 122.210 -1.386 19282 5364 1 7 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.563 -0.072 19282 5365 1 7 . 1 1 103 103 ALA C C 103 176.664 176.664 175.571 1.093 19282 5366 1 7 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.096 0.287 19282 5367 1 7 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.723 0.289 19282 5368 1 7 . 1 1 103 103 ALA H H 103 8.859 8.859 9.177 -0.318 19282 5369 1 7 . 1 1 104 104 ILE N N 104 119.488 119.488 121.384 -1.896 19282 5370 1 7 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.496 0.122 19282 5371 1 7 . 1 1 104 104 ILE C C 104 175.968 175.968 175.283 0.685 19282 5372 1 7 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.539 0.582 19282 5373 1 7 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.650 2.643 19282 5374 1 7 . 1 1 104 104 ILE H H 104 9.301 9.301 8.671 0.630 19282 5375 1 7 . 1 1 105 105 SER N N 105 121.988 121.988 122.586 -0.598 19282 5376 1 7 . 1 1 105 105 SER HA H 105 4.793 4.793 5.304 -0.511 19282 5377 1 7 . 1 1 105 105 SER C C 105 175.288 175.288 174.458 0.830 19282 5378 1 7 . 1 1 105 105 SER CA C 105 56.729 56.729 56.504 0.225 19282 5379 1 7 . 1 1 105 105 SER CB C 105 64.136 64.136 63.805 0.331 19282 5380 1 7 . 1 1 105 105 SER H H 105 8.747 8.747 8.629 0.118 19282 5381 1 7 . 1 1 106 106 GLY N N 106 117.934 117.934 116.946 0.988 19282 5382 1 7 . 1 1 106 106 GLY C C 106 173.274 173.274 173.532 -0.258 19282 5383 1 7 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.379 2.482 19282 5384 1 7 . 1 1 106 106 GLY H H 106 9.283 9.283 8.641 0.642 19282 5385 1 7 . 1 1 107 107 ASP N N 107 122.936 122.936 125.996 -3.060 19282 5386 1 7 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.678 -0.045 19282 5387 1 7 . 1 1 107 107 ASP C C 107 174.997 174.997 175.822 -0.825 19282 5388 1 7 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.452 -0.950 19282 5389 1 7 . 1 1 107 107 ASP CB C 107 40.928 40.928 40.832 0.096 19282 5390 1 7 . 1 1 107 107 ASP H H 107 8.420 8.420 8.493 -0.073 19282 5391 1 7 . 1 1 108 108 LYS N N 108 116.770 116.770 117.892 -1.122 19282 5392 1 7 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.695 0.029 19282 5393 1 7 . 1 1 108 108 LYS C C 108 173.949 173.949 174.652 -0.703 19282 5394 1 7 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.506 1.237 19282 5395 1 7 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.527 -0.104 19282 5396 1 7 . 1 1 108 108 LYS H H 108 7.764 7.764 7.370 0.394 19282 5397 1 7 . 1 1 109 109 VAL N N 109 120.190 120.190 119.728 0.462 19282 5398 1 7 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.950 -0.219 19282 5399 1 7 . 1 1 109 109 VAL C C 109 175.297 175.297 175.986 -0.689 19282 5400 1 7 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.260 0.749 19282 5401 1 7 . 1 1 109 109 VAL CB C 109 31.996 31.996 33.170 -1.174 19282 5402 1 7 . 1 1 109 109 VAL H H 109 8.315 8.315 8.509 -0.194 19282 5403 1 7 . 1 1 110 110 THR N N 110 121.358 121.358 116.809 4.549 19282 5404 1 7 . 1 1 110 110 THR HA H 110 4.765 4.765 4.515 0.250 19282 5405 1 7 . 1 1 110 110 THR C C 110 172.026 172.026 172.766 -0.740 19282 5406 1 7 . 1 1 110 110 THR CA C 110 59.150 59.150 59.706 -0.556 19282 5407 1 7 . 1 1 110 110 THR CB C 110 71.063 71.063 71.930 -0.867 19282 5408 1 7 . 1 1 110 110 THR H H 110 9.253 9.253 9.238 0.015 19282 5409 1 7 . 1 1 111 111 PHE N N 111 116.390 116.390 114.778 1.612 19282 5410 1 7 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.699 -0.096 19282 5411 1 7 . 1 1 111 111 PHE C C 111 174.645 174.645 174.060 0.585 19282 5412 1 7 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.186 -0.224 19282 5413 1 7 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.899 -0.923 19282 5414 1 7 . 1 1 111 111 PHE H H 111 7.934 7.934 8.006 -0.072 19282 5415 1 7 . 1 1 112 112 GLU N N 112 119.577 119.577 119.014 0.563 19282 5416 1 7 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.794 0.126 19282 5417 1 7 . 1 1 112 112 GLU C C 112 175.303 175.303 174.885 0.418 19282 5418 1 7 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.336 0.351 19282 5419 1 7 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.296 1.858 19282 5420 1 7 . 1 1 112 112 GLU H H 112 9.266 9.266 9.668 -0.402 19282 5421 1 7 . 1 1 113 113 SER N N 113 114.911 114.911 115.473 -0.562 19282 5422 1 7 . 1 1 113 113 SER HA H 113 4.706 4.706 4.690 0.016 19282 5423 1 7 . 1 1 113 113 SER C C 113 178.063 178.063 175.740 2.323 19282 5424 1 7 . 1 1 113 113 SER CA C 113 59.218 59.218 58.872 0.346 19282 5425 1 7 . 1 1 113 113 SER CB C 113 63.646 63.646 63.386 0.260 19282 5426 1 7 . 1 1 113 113 SER H H 113 8.880 8.880 8.808 0.072 19282 5427 1 7 . 1 1 114 114 CYS N N 114 125.039 125.039 124.048 0.991 19282 5428 1 7 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.755 0.516 19282 5429 1 7 . 1 1 114 114 CYS C C 114 174.382 174.382 175.614 -1.232 19282 5430 1 7 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.431 -0.779 19282 5431 1 7 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.800 19.823 19282 5432 1 7 . 1 1 114 114 CYS H H 114 9.143 9.143 9.069 0.074 19282 5433 1 7 . 1 1 115 115 ASN N N 115 116.644 116.644 117.221 -0.577 19282 5434 1 7 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.735 0.341 19282 5435 1 7 . 1 1 115 115 ASN C C 115 175.268 175.268 175.084 0.184 19282 5436 1 7 . 1 1 115 115 ASN CA C 115 53.105 53.105 52.952 0.153 19282 5437 1 7 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.274 -0.189 19282 5438 1 7 . 1 1 115 115 ASN H H 115 8.251 8.251 8.677 -0.426 19282 5439 1 7 . 1 1 116 116 SER N N 116 117.296 117.296 116.302 0.994 19282 5440 1 7 . 1 1 116 116 SER HA H 116 4.509 4.509 4.606 -0.097 19282 5441 1 7 . 1 1 116 116 SER C C 116 170.342 170.342 173.462 -3.120 19282 5442 1 7 . 1 1 116 116 SER CA C 116 59.592 59.592 57.671 1.921 19282 5443 1 7 . 1 1 116 116 SER CB C 116 63.948 63.948 64.441 -0.493 19282 5444 1 7 . 1 1 116 116 SER H H 116 7.988 7.988 8.207 -0.219 19282 5445 1 7 . 1 1 117 117 ASP N N 117 119.393 119.393 121.283 -1.890 19282 5446 1 7 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.108 -0.275 19282 5447 1 7 . 1 1 117 117 ASP C C 117 174.981 174.981 175.702 -0.721 19282 5448 1 7 . 1 1 117 117 ASP CA C 117 53.331 53.331 53.605 -0.274 19282 5449 1 7 . 1 1 117 117 ASP CB C 117 41.632 41.632 41.225 0.407 19282 5450 1 7 . 1 1 117 117 ASP H H 117 8.027 8.027 8.681 -0.654 19282 5451 1 7 . 1 1 118 118 ASN N N 118 121.127 121.127 123.393 -2.266 19282 5452 1 7 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.986 -0.046 19282 5453 1 7 . 1 1 118 118 ASN C C 118 176.169 176.169 174.478 1.691 19282 5454 1 7 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.077 -0.003 19282 5455 1 7 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.055 -0.823 19282 5456 1 7 . 1 1 118 118 ASN H H 118 8.634 8.634 8.730 -0.096 19282 5457 1 7 . 1 1 119 119 ARG N N 119 118.108 118.108 118.898 -0.790 19282 5458 1 7 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.809 -1.318 19282 5459 1 7 . 1 1 119 119 ARG C C 119 174.125 174.125 176.539 -2.414 19282 5460 1 7 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.926 0.742 19282 5461 1 7 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.225 0.118 19282 5462 1 7 . 1 1 119 119 ARG H H 119 6.943 6.943 8.572 -1.629 19282 5463 1 7 . 1 1 120 120 TRP N N 120 113.700 113.700 115.905 -2.205 19282 5464 1 7 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.507 0.218 19282 5465 1 7 . 1 1 120 120 TRP C C 120 173.109 173.109 173.794 -0.685 19282 5466 1 7 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.651 0.997 19282 5467 1 7 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.362 0.709 19282 5468 1 7 . 1 1 120 120 TRP H H 120 8.511 8.511 8.223 0.288 19282 5469 1 7 . 1 1 121 121 ILE N N 121 117.255 117.255 119.345 -2.090 19282 5470 1 7 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.985 0.353 19282 5471 1 7 . 1 1 121 121 ILE C C 121 176.617 176.617 175.252 1.365 19282 5472 1 7 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.392 0.037 19282 5473 1 7 . 1 1 121 121 ILE CB C 121 41.408 41.408 41.136 0.272 19282 5474 1 7 . 1 1 121 121 ILE H H 121 7.551 7.551 8.652 -1.101 19282 5475 1 7 . 1 1 122 122 CYS N N 122 122.116 122.116 126.053 -3.937 19282 5476 1 7 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.437 0.567 19282 5477 1 7 . 1 1 122 122 CYS C C 122 174.897 174.897 173.867 1.030 19282 5478 1 7 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.345 -5.769 19282 5479 1 7 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.756 9.662 19282 5480 1 7 . 1 1 122 122 CYS H H 122 9.449 9.449 9.175 0.274 19282 5481 1 7 . 1 1 123 123 GLN N N 123 118.635 118.635 119.874 -1.239 19282 5482 1 7 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.088 0.139 19282 5483 1 7 . 1 1 123 123 GLN C C 123 174.014 174.014 174.512 -0.498 19282 5484 1 7 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.243 -0.415 19282 5485 1 7 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.088 1.884 19282 5486 1 7 . 1 1 123 123 GLN H H 123 10.073 10.073 9.597 0.476 19282 5487 1 7 . 1 1 124 124 LYS N N 124 121.677 121.677 122.138 -0.461 19282 5488 1 7 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.736 0.103 19282 5489 1 7 . 1 1 124 124 LYS C C 124 174.809 174.809 175.336 -0.527 19282 5490 1 7 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.362 1.041 19282 5491 1 7 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.824 1.753 19282 5492 1 7 . 1 1 124 124 LYS H H 124 9.115 9.115 9.182 -0.067 19282 5493 1 7 . 1 1 125 125 GLU N N 125 122.487 122.487 125.540 -3.053 19282 5494 1 7 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.271 0.304 19282 5495 1 7 . 1 1 125 125 GLU C C 125 176.057 176.057 175.729 0.328 19282 5496 1 7 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.208 -1.187 19282 5497 1 7 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.864 1.288 19282 5498 1 7 . 1 1 125 125 GLU H H 125 8.695 8.695 8.775 -0.080 19282 5499 1 7 . 1 1 126 126 LEU N N 126 123.898 123.898 126.776 -2.878 19282 5500 1 7 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.431 -0.292 19282 5501 1 7 . 1 1 126 126 LEU C C 126 176.479 176.479 176.713 -0.234 19282 5502 1 7 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.246 0.337 19282 5503 1 7 . 1 1 126 126 LEU CB C 126 42.625 42.625 43.059 -0.435 19282 5504 1 7 . 1 1 126 126 LEU H H 126 8.332 8.332 8.365 -0.033 19282 5505 1 7 . 1 1 127 127 TYR N N 127 118.052 118.052 112.801 5.251 19282 5506 1 7 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.546 -0.017 19282 5507 1 7 . 1 1 127 127 TYR C C 127 175.072 175.072 173.424 1.648 19282 5508 1 7 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.301 0.185 19282 5509 1 7 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.340 -3.471 19282 5510 1 7 . 1 1 127 127 TYR H H 127 8.028 8.028 7.790 0.238 19282 5511 1 7 . 1 1 128 128 HIS N N 128 120.723 120.723 116.270 4.453 19282 5512 1 7 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.859 -0.275 19282 5513 1 7 . 1 1 128 128 HIS C C 128 174.487 174.487 173.439 1.048 19282 5514 1 7 . 1 1 128 128 HIS CA C 128 55.688 55.688 55.284 0.404 19282 5515 1 7 . 1 1 128 128 HIS CB C 128 30.515 30.515 31.644 -1.129 19282 5516 1 7 . 1 1 128 128 HIS H H 128 8.014 8.014 8.312 -0.298 19282 5517 1 7 . 1 1 129 129 GLU N N 129 122.855 122.855 123.266 -0.411 19282 5518 1 7 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.807 -0.523 19282 5519 1 7 . 1 1 129 129 GLU C C 129 176.492 176.492 175.875 0.617 19282 5520 1 7 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.909 1.908 19282 5521 1 7 . 1 1 129 129 GLU CB C 129 30.472 30.472 32.851 -2.379 19282 5522 1 7 . 1 1 129 129 GLU H H 129 8.424 8.424 8.703 -0.279 19282 5523 1 7 . 1 1 130 130 THR N N 130 116.228 116.228 114.604 1.624 19282 5524 1 7 . 1 1 130 130 THR HA H 130 4.339 4.339 4.741 -0.402 19282 5525 1 7 . 1 1 130 130 THR C C 130 174.589 174.589 173.153 1.436 19282 5526 1 7 . 1 1 130 130 THR CA C 130 62.205 62.205 61.764 0.441 19282 5527 1 7 . 1 1 130 130 THR CB C 130 69.939 69.939 70.876 -0.937 19282 5528 1 7 . 1 1 130 130 THR H H 130 8.311 8.311 8.382 -0.071 19282 5529 1 7 . 1 1 131 131 LEU N N 131 124.856 124.856 125.235 -0.379 19282 5530 1 7 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.936 -0.526 19282 5531 1 7 . 1 1 131 131 LEU C C 131 177.438 177.438 175.360 2.078 19282 5532 1 7 . 1 1 131 131 LEU CA C 131 55.362 55.362 53.452 1.910 19282 5533 1 7 . 1 1 131 131 LEU CB C 131 42.356 42.356 44.000 -1.644 19282 5534 1 7 . 1 1 131 131 LEU H H 131 8.294 8.294 8.141 0.153 19282 5535 1 7 . 1 1 132 132 SER N N 132 116.127 116.127 115.207 0.920 19282 5536 1 7 . 1 1 132 132 SER HA H 132 4.397 4.397 4.754 -0.357 19282 5537 1 7 . 1 1 132 132 SER C C 132 174.250 174.250 173.284 0.966 19282 5538 1 7 . 1 1 132 132 SER CA C 132 58.571 58.571 57.983 0.588 19282 5539 1 7 . 1 1 132 132 SER CB C 132 63.862 63.862 64.300 -0.438 19282 5540 1 7 . 1 1 132 132 SER H H 132 8.255 8.255 8.446 -0.191 19282 5541 1 7 . 1 1 133 133 ASN N N 133 120.181 120.181 123.468 -3.287 19282 5542 1 7 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.935 -0.243 19282 5543 1 7 . 1 1 133 133 ASN C C 133 174.658 174.658 173.252 1.406 19282 5544 1 7 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.683 -0.344 19282 5545 1 7 . 1 1 133 133 ASN CB C 133 38.838 38.838 42.285 -3.447 19282 5546 1 7 . 1 1 133 133 ASN H H 133 8.293 8.293 8.478 -0.185 19282 5547 1 7 . 1 1 134 134 TYR N N 134 120.605 120.605 120.137 0.468 19282 5548 1 7 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.626 -0.053 19282 5549 1 7 . 1 1 134 134 TYR C C 134 175.726 175.726 174.413 1.313 19282 5550 1 7 . 1 1 134 134 TYR CA C 134 58.149 58.149 58.717 -0.568 19282 5551 1 7 . 1 1 134 134 TYR CB C 134 38.845 38.845 40.169 -1.324 19282 5552 1 7 . 1 1 134 134 TYR H H 134 8.067 8.067 8.661 -0.594 19282 5553 1 7 . 1 1 135 135 VAL N N 135 122.466 122.466 126.427 -3.961 19282 5554 1 7 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.803 0.244 19282 5555 1 7 . 1 1 135 135 VAL C C 135 176.130 176.130 176.445 -0.315 19282 5556 1 7 . 1 1 135 135 VAL CA C 135 62.546 62.546 63.215 -0.669 19282 5557 1 7 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.384 0.394 19282 5558 1 7 . 1 1 135 135 VAL H H 135 7.952 7.952 8.267 -0.315 19282 5559 1 7 . 1 1 136 136 GLY N N 136 111.336 111.336 106.562 4.774 19282 5560 1 7 . 1 1 136 136 GLY C C 136 173.652 173.652 175.003 -1.351 19282 5561 1 7 . 1 1 136 136 GLY CA C 136 45.218 45.218 46.191 -0.973 19282 5562 1 7 . 1 1 136 136 GLY H H 136 7.915 7.915 7.143 0.772 19282 5563 1 7 . 1 1 137 137 TYR N N 137 119.801 119.801 123.169 -3.368 19282 5564 1 7 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.638 -0.074 19282 5565 1 7 . 1 1 137 137 TYR C C 137 176.375 176.375 175.026 1.349 19282 5566 1 7 . 1 1 137 137 TYR CA C 137 58.168 58.168 57.706 0.462 19282 5567 1 7 . 1 1 137 137 TYR CB C 137 38.925 38.925 40.778 -1.853 19282 5568 1 7 . 1 1 137 137 TYR H H 137 7.994 7.994 7.686 0.308 19282 5569 1 7 . 1 1 138 138 GLY N N 138 110.979 110.979 106.306 4.673 19282 5570 1 7 . 1 1 138 138 GLY C C 138 173.159 173.159 173.484 -0.325 19282 5571 1 7 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.181 0.194 19282 5572 1 7 . 1 1 138 138 GLY H H 138 8.345 8.345 7.949 0.396 19282 5573 1 8 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.388 -0.004 19282 5574 1 8 . 1 1 2 2 ALA C C 2 177.184 177.184 174.925 2.259 19282 5575 1 8 . 1 1 2 2 ALA CA C 2 52.459 52.459 52.551 -0.092 19282 5576 1 8 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.396 0.092 19282 5577 1 8 . 1 1 3 3 LYS N N 3 120.996 120.996 119.142 1.854 19282 5578 1 8 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.365 -0.046 19282 5579 1 8 . 1 1 3 3 LYS C C 3 176.038 176.038 173.928 2.110 19282 5580 1 8 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.749 -0.561 19282 5581 1 8 . 1 1 3 3 LYS CB C 3 33.261 33.261 33.752 -0.491 19282 5582 1 8 . 1 1 3 3 LYS H H 3 8.272 8.272 7.813 0.459 19282 5583 1 8 . 1 1 4 4 LEU N N 4 124.847 124.847 123.994 0.853 19282 5584 1 8 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.492 -0.096 19282 5585 1 8 . 1 1 4 4 LEU C C 4 175.745 175.745 176.063 -0.318 19282 5586 1 8 . 1 1 4 4 LEU CA C 4 54.792 54.792 54.814 -0.022 19282 5587 1 8 . 1 1 4 4 LEU CB C 4 42.683 42.683 42.917 -0.234 19282 5588 1 8 . 1 1 4 4 LEU H H 4 8.247 8.247 8.642 -0.395 19282 5589 1 8 . 1 1 5 5 GLU N N 5 120.599 120.599 115.556 5.043 19282 5590 1 8 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.578 -0.059 19282 5591 1 8 . 1 1 5 5 GLU C C 5 176.076 176.076 174.458 1.618 19282 5592 1 8 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.819 -0.822 19282 5593 1 8 . 1 1 5 5 GLU CB C 5 32.353 32.353 33.510 -1.157 19282 5594 1 8 . 1 1 5 5 GLU H H 5 8.093 8.093 8.129 -0.036 19282 5595 1 8 . 1 1 6 6 CYS N N 6 120.079 120.079 120.014 0.065 19282 5596 1 8 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.668 0.068 19282 5597 1 8 . 1 1 6 6 CYS C C 6 172.237 172.237 172.568 -0.331 19282 5598 1 8 . 1 1 6 6 CYS CA C 6 53.218 53.218 56.370 -3.152 19282 5599 1 8 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.672 9.773 19282 5600 1 8 . 1 1 6 6 CYS H H 6 8.750 8.750 8.457 0.293 19282 5601 1 8 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.544 -0.195 19282 5602 1 8 . 1 1 7 7 PRO C C 7 176.014 176.014 177.838 -1.824 19282 5603 1 8 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.668 -0.196 19282 5604 1 8 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.336 -1.135 19282 5605 1 8 . 1 1 8 8 GLN N N 8 120.940 120.940 119.706 1.234 19282 5606 1 8 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.023 0.085 19282 5607 1 8 . 1 1 8 8 GLN C C 8 176.701 176.701 176.271 0.430 19282 5608 1 8 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.560 -0.474 19282 5609 1 8 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.428 0.415 19282 5610 1 8 . 1 1 8 8 GLN H H 8 8.443 8.443 8.773 -0.330 19282 5611 1 8 . 1 1 9 9 ASP N N 9 116.982 116.982 117.923 -0.941 19282 5612 1 8 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.652 -0.136 19282 5613 1 8 . 1 1 9 9 ASP C C 9 176.201 176.201 175.630 0.571 19282 5614 1 8 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.723 1.890 19282 5615 1 8 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.707 -1.295 19282 5616 1 8 . 1 1 9 9 ASP H H 9 9.023 9.023 8.439 0.584 19282 5617 1 8 . 1 1 10 10 TRP N N 10 121.568 121.568 119.541 2.027 19282 5618 1 8 . 1 1 10 10 TRP HA H 10 5.063 5.063 4.885 0.178 19282 5619 1 8 . 1 1 10 10 TRP C C 10 175.997 175.997 176.559 -0.562 19282 5620 1 8 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.817 0.847 19282 5621 1 8 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.364 -1.289 19282 5622 1 8 . 1 1 10 10 TRP H H 10 8.440 8.440 7.894 0.546 19282 5623 1 8 . 1 1 11 11 LEU N N 11 123.195 123.195 126.141 -2.946 19282 5624 1 8 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.636 0.128 19282 5625 1 8 . 1 1 11 11 LEU C C 11 176.837 176.837 176.999 -0.162 19282 5626 1 8 . 1 1 11 11 LEU CA C 11 54.607 54.607 54.171 0.436 19282 5627 1 8 . 1 1 11 11 LEU CB C 11 44.386 44.386 41.263 3.123 19282 5628 1 8 . 1 1 11 11 LEU H H 11 9.613 9.613 8.888 0.725 19282 5629 1 8 . 1 1 12 12 SER N N 12 116.705 116.705 120.365 -3.660 19282 5630 1 8 . 1 1 12 12 SER HA H 12 5.389 5.389 4.606 0.783 19282 5631 1 8 . 1 1 12 12 SER C C 12 174.164 174.164 174.038 0.126 19282 5632 1 8 . 1 1 12 12 SER CA C 12 57.066 57.066 57.944 -0.878 19282 5633 1 8 . 1 1 12 12 SER CB C 12 65.488 65.488 63.604 1.884 19282 5634 1 8 . 1 1 12 12 SER H H 12 8.733 8.733 8.421 0.312 19282 5635 1 8 . 1 1 13 13 HIS N N 13 123.615 123.615 126.850 -3.235 19282 5636 1 8 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.448 -0.143 19282 5637 1 8 . 1 1 13 13 HIS C C 13 173.536 173.536 174.035 -0.499 19282 5638 1 8 . 1 1 13 13 HIS CA C 13 57.277 57.277 54.942 2.335 19282 5639 1 8 . 1 1 13 13 HIS CB C 13 31.952 31.952 30.912 1.040 19282 5640 1 8 . 1 1 13 13 HIS H H 13 8.303 8.303 8.715 -0.412 19282 5641 1 8 . 1 1 14 14 ARG N N 14 125.609 125.609 123.904 1.705 19282 5642 1 8 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.684 -0.162 19282 5643 1 8 . 1 1 14 14 ARG C C 14 175.434 175.434 175.975 -0.541 19282 5644 1 8 . 1 1 14 14 ARG CA C 14 58.414 58.414 59.062 -0.648 19282 5645 1 8 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.514 -0.732 19282 5646 1 8 . 1 1 14 14 ARG H H 14 8.858 8.858 8.660 0.198 19282 5647 1 8 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.702 0.061 19282 5648 1 8 . 1 1 15 15 ASP C C 15 174.250 174.250 174.938 -0.688 19282 5649 1 8 . 1 1 15 15 ASP CA C 15 54.485 54.485 53.093 1.392 19282 5650 1 8 . 1 1 15 15 ASP CB C 15 40.448 40.448 40.676 -0.228 19282 5651 1 8 . 1 1 16 16 LYS N N 16 118.266 118.266 118.011 0.255 19282 5652 1 8 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.956 0.060 19282 5653 1 8 . 1 1 16 16 LYS C C 16 175.472 175.472 174.534 0.938 19282 5654 1 8 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.712 0.852 19282 5655 1 8 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.272 1.033 19282 5656 1 8 . 1 1 16 16 LYS H H 16 8.289 8.289 7.611 0.678 19282 5657 1 8 . 1 1 17 17 CYS N N 17 118.232 118.232 118.101 0.131 19282 5658 1 8 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.078 0.856 19282 5659 1 8 . 1 1 17 17 CYS C C 17 174.859 174.859 174.025 0.834 19282 5660 1 8 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.899 -5.352 19282 5661 1 8 . 1 1 17 17 CYS CB C 17 43.197 43.197 28.873 14.324 19282 5662 1 8 . 1 1 17 17 CYS H H 17 8.492 8.492 8.397 0.095 19282 5663 1 8 . 1 1 18 18 PHE N N 18 121.121 121.121 120.535 0.586 19282 5664 1 8 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.714 0.532 19282 5665 1 8 . 1 1 18 18 PHE C C 18 174.238 174.238 175.365 -1.127 19282 5666 1 8 . 1 1 18 18 PHE CA C 18 56.427 56.427 55.362 1.065 19282 5667 1 8 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.810 0.380 19282 5668 1 8 . 1 1 18 18 PHE H H 18 10.029 10.029 9.328 0.701 19282 5669 1 8 . 1 1 19 19 HIS N N 19 122.393 122.393 120.127 2.266 19282 5670 1 8 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.587 -0.224 19282 5671 1 8 . 1 1 19 19 HIS C C 19 172.933 172.933 172.648 0.285 19282 5672 1 8 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.449 0.633 19282 5673 1 8 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.396 -1.997 19282 5674 1 8 . 1 1 19 19 HIS H H 19 8.624 8.624 9.250 -0.626 19282 5675 1 8 . 1 1 20 20 VAL N N 20 128.351 128.351 128.302 0.049 19282 5676 1 8 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.804 0.387 19282 5677 1 8 . 1 1 20 20 VAL C C 20 174.971 174.971 174.786 0.185 19282 5678 1 8 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.017 -0.968 19282 5679 1 8 . 1 1 20 20 VAL CB C 20 32.109 32.109 30.184 1.925 19282 5680 1 8 . 1 1 20 20 VAL H H 20 7.880 7.880 8.315 -0.435 19282 5681 1 8 . 1 1 21 21 SER N N 21 123.985 123.985 123.882 0.103 19282 5682 1 8 . 1 1 21 21 SER HA H 21 3.904 3.904 3.826 0.078 19282 5683 1 8 . 1 1 21 21 SER C C 21 173.842 173.842 174.418 -0.576 19282 5684 1 8 . 1 1 21 21 SER CA C 21 59.417 59.417 58.084 1.333 19282 5685 1 8 . 1 1 21 21 SER CB C 21 62.993 62.993 62.618 0.375 19282 5686 1 8 . 1 1 21 21 SER H H 21 8.802 8.802 8.207 0.595 19282 5687 1 8 . 1 1 22 22 GLN N N 22 118.390 118.390 124.745 -6.355 19282 5688 1 8 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.345 -0.072 19282 5689 1 8 . 1 1 22 22 GLN C C 22 175.650 175.650 174.564 1.086 19282 5690 1 8 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.596 0.130 19282 5691 1 8 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.534 1.508 19282 5692 1 8 . 1 1 22 22 GLN H H 22 8.866 8.866 8.600 0.266 19282 5693 1 8 . 1 1 23 23 VAL N N 23 113.258 113.258 113.549 -0.291 19282 5694 1 8 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.394 -0.080 19282 5695 1 8 . 1 1 23 23 VAL C C 23 172.691 172.691 175.104 -2.413 19282 5696 1 8 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.515 0.271 19282 5697 1 8 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.493 0.875 19282 5698 1 8 . 1 1 23 23 VAL H H 23 6.897 6.897 7.207 -0.310 19282 5699 1 8 . 1 1 24 24 SER N N 24 115.205 115.205 118.975 -3.770 19282 5700 1 8 . 1 1 24 24 SER HA H 24 4.894 4.894 5.411 -0.517 19282 5701 1 8 . 1 1 24 24 SER C C 24 173.846 173.846 174.061 -0.215 19282 5702 1 8 . 1 1 24 24 SER CA C 24 56.040 56.040 58.115 -2.075 19282 5703 1 8 . 1 1 24 24 SER CB C 24 65.361 65.361 65.072 0.289 19282 5704 1 8 . 1 1 24 24 SER H H 24 8.125 8.125 8.498 -0.373 19282 5705 1 8 . 1 1 25 25 ASN N N 25 122.669 122.669 122.504 0.165 19282 5706 1 8 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.317 -0.229 19282 5707 1 8 . 1 1 25 25 ASN C C 25 175.285 175.285 174.402 0.883 19282 5708 1 8 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.506 0.524 19282 5709 1 8 . 1 1 25 25 ASN CB C 25 41.535 41.535 43.325 -1.790 19282 5710 1 8 . 1 1 25 25 ASN H H 25 9.854 9.854 9.467 0.387 19282 5711 1 8 . 1 1 26 26 THR N N 26 113.569 113.569 112.092 1.477 19282 5712 1 8 . 1 1 26 26 THR HA H 26 5.520 5.520 5.352 0.168 19282 5713 1 8 . 1 1 26 26 THR C C 26 174.350 174.350 175.970 -1.620 19282 5714 1 8 . 1 1 26 26 THR CA C 26 61.930 61.930 61.359 0.571 19282 5715 1 8 . 1 1 26 26 THR CB C 26 70.719 70.719 70.458 0.261 19282 5716 1 8 . 1 1 26 26 THR H H 26 9.718 9.718 9.325 0.393 19282 5717 1 8 . 1 1 27 27 TRP N N 27 121.857 121.857 122.915 -1.058 19282 5718 1 8 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.309 -0.692 19282 5719 1 8 . 1 1 27 27 TRP C C 27 177.624 177.624 177.374 0.250 19282 5720 1 8 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.501 0.150 19282 5721 1 8 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.038 1.390 19282 5722 1 8 . 1 1 27 27 TRP H H 27 7.836 7.836 8.582 -0.746 19282 5723 1 8 . 1 1 28 28 GLU N N 28 114.949 114.949 116.494 -1.545 19282 5724 1 8 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.706 0.002 19282 5725 1 8 . 1 1 28 28 GLU C C 28 178.928 178.928 178.839 0.089 19282 5726 1 8 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.449 0.140 19282 5727 1 8 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.146 0.334 19282 5728 1 8 . 1 1 28 28 GLU H H 28 8.827 8.827 8.694 0.133 19282 5729 1 8 . 1 1 29 29 GLU N N 29 118.462 118.462 120.166 -1.704 19282 5730 1 8 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.919 0.007 19282 5731 1 8 . 1 1 29 29 GLU C C 29 179.587 179.587 178.960 0.627 19282 5732 1 8 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.619 -0.050 19282 5733 1 8 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.366 -1.233 19282 5734 1 8 . 1 1 29 29 GLU H H 29 7.259 7.259 7.348 -0.089 19282 5735 1 8 . 1 1 30 30 GLY N N 30 112.186 112.186 107.684 4.502 19282 5736 1 8 . 1 1 30 30 GLY C C 30 173.516 173.516 175.523 -2.007 19282 5737 1 8 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.924 -0.182 19282 5738 1 8 . 1 1 30 30 GLY H H 30 7.871 7.871 8.155 -0.284 19282 5739 1 8 . 1 1 31 31 LEU N N 31 122.216 122.216 122.977 -0.761 19282 5740 1 8 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.768 -0.423 19282 5741 1 8 . 1 1 31 31 LEU C C 31 179.828 179.828 178.481 1.347 19282 5742 1 8 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.554 1.401 19282 5743 1 8 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.135 0.340 19282 5744 1 8 . 1 1 31 31 LEU H H 31 7.610 7.610 7.518 0.092 19282 5745 1 8 . 1 1 32 32 VAL N N 32 118.301 118.301 118.541 -0.240 19282 5746 1 8 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.559 0.092 19282 5747 1 8 . 1 1 32 32 VAL C C 32 179.041 179.041 178.230 0.811 19282 5748 1 8 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.160 -0.293 19282 5749 1 8 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.477 0.499 19282 5750 1 8 . 1 1 32 32 VAL H H 32 7.571 7.571 7.388 0.183 19282 5751 1 8 . 1 1 33 33 ASP N N 33 123.085 123.085 120.421 2.664 19282 5752 1 8 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.463 -0.087 19282 5753 1 8 . 1 1 33 33 ASP C C 33 179.766 179.766 178.473 1.293 19282 5754 1 8 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.023 0.114 19282 5755 1 8 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.754 2.681 19282 5756 1 8 . 1 1 33 33 ASP H H 33 7.924 7.924 7.813 0.111 19282 5757 1 8 . 1 1 34 34 CYS N N 34 115.181 115.181 117.080 -1.899 19282 5758 1 8 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.567 -0.063 19282 5759 1 8 . 1 1 34 34 CYS C C 34 177.697 177.697 177.161 0.536 19282 5760 1 8 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.086 -5.016 19282 5761 1 8 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.519 7.902 19282 5762 1 8 . 1 1 34 34 CYS H H 34 8.486 8.486 7.947 0.539 19282 5763 1 8 . 1 1 35 35 ASP N N 35 123.300 123.300 121.318 1.982 19282 5764 1 8 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.696 0.058 19282 5765 1 8 . 1 1 35 35 ASP C C 35 180.457 180.457 179.309 1.148 19282 5766 1 8 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.489 0.781 19282 5767 1 8 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.290 1.853 19282 5768 1 8 . 1 1 35 35 ASP H H 35 8.458 8.458 7.967 0.491 19282 5769 1 8 . 1 1 36 36 GLY N N 36 107.140 107.140 108.983 -1.843 19282 5770 1 8 . 1 1 36 36 GLY C C 36 175.345 175.345 175.585 -0.240 19282 5771 1 8 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.865 0.011 19282 5772 1 8 . 1 1 36 36 GLY H H 36 8.281 8.281 8.146 0.135 19282 5773 1 8 . 1 1 37 37 LYS N N 37 119.450 119.450 119.842 -0.392 19282 5774 1 8 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.537 0.009 19282 5775 1 8 . 1 1 37 37 LYS C C 37 176.415 176.415 175.606 0.809 19282 5776 1 8 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.553 1.276 19282 5777 1 8 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.617 1.137 19282 5778 1 8 . 1 1 37 37 LYS H H 37 7.587 7.587 7.644 -0.057 19282 5779 1 8 . 1 1 38 38 GLY N N 38 109.781 109.781 107.310 2.471 19282 5780 1 8 . 1 1 38 38 GLY C C 38 174.144 174.144 173.441 0.703 19282 5781 1 8 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.523 1.268 19282 5782 1 8 . 1 1 38 38 GLY H H 38 8.205 8.205 7.825 0.380 19282 5783 1 8 . 1 1 39 39 ALA N N 39 123.317 123.317 121.471 1.846 19282 5784 1 8 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.299 -0.183 19282 5785 1 8 . 1 1 39 39 ALA C C 39 174.817 174.817 175.200 -0.383 19282 5786 1 8 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.505 -0.332 19282 5787 1 8 . 1 1 39 39 ALA CB C 39 24.153 24.153 22.003 2.150 19282 5788 1 8 . 1 1 39 39 ALA H H 39 8.107 8.107 7.695 0.412 19282 5789 1 8 . 1 1 40 40 THR N N 40 108.747 108.747 111.836 -3.089 19282 5790 1 8 . 1 1 40 40 THR HA H 40 5.080 5.080 4.727 0.353 19282 5791 1 8 . 1 1 40 40 THR C C 40 175.723 175.723 174.352 1.371 19282 5792 1 8 . 1 1 40 40 THR CA C 40 60.173 60.173 60.107 0.066 19282 5793 1 8 . 1 1 40 40 THR CB C 40 72.452 72.452 71.702 0.750 19282 5794 1 8 . 1 1 40 40 THR H H 40 8.566 8.566 9.020 -0.454 19282 5795 1 8 . 1 1 41 41 LEU N N 41 123.750 123.750 126.967 -3.217 19282 5796 1 8 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.389 0.665 19282 5797 1 8 . 1 1 41 41 LEU C C 41 177.800 177.800 177.258 0.542 19282 5798 1 8 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.614 1.062 19282 5799 1 8 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.436 2.188 19282 5800 1 8 . 1 1 41 41 LEU H H 41 7.791 7.791 8.835 -1.044 19282 5801 1 8 . 1 1 42 42 MET N N 42 116.452 116.452 128.097 -11.645 19282 5802 1 8 . 1 1 42 42 MET HA H 42 4.098 4.098 4.371 -0.273 19282 5803 1 8 . 1 1 42 42 MET C C 42 174.097 174.097 174.693 -0.596 19282 5804 1 8 . 1 1 42 42 MET CA C 42 57.887 57.887 56.147 1.740 19282 5805 1 8 . 1 1 42 42 MET CB C 42 34.299 34.299 32.136 2.163 19282 5806 1 8 . 1 1 42 42 MET H H 42 7.983 7.983 8.890 -0.907 19282 5807 1 8 . 1 1 43 43 LEU N N 43 128.106 128.106 128.586 -0.480 19282 5808 1 8 . 1 1 43 43 LEU HA H 43 4.517 4.517 4.121 0.396 19282 5809 1 8 . 1 1 43 43 LEU C C 43 174.928 174.928 175.171 -0.243 19282 5810 1 8 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.645 0.888 19282 5811 1 8 . 1 1 43 43 LEU CB C 43 42.828 42.828 40.823 2.005 19282 5812 1 8 . 1 1 43 43 LEU H H 43 8.078 8.078 8.544 -0.466 19282 5813 1 8 . 1 1 44 44 ILE N N 44 118.686 118.686 124.790 -6.104 19282 5814 1 8 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.995 0.207 19282 5815 1 8 . 1 1 44 44 ILE C C 44 175.736 175.736 175.366 0.370 19282 5816 1 8 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.888 -0.837 19282 5817 1 8 . 1 1 44 44 ILE CB C 44 38.168 38.168 37.086 1.082 19282 5818 1 8 . 1 1 44 44 ILE H H 44 5.273 5.273 7.844 -2.571 19282 5819 1 8 . 1 1 45 45 GLN N N 45 127.754 127.754 123.543 4.211 19282 5820 1 8 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.423 -0.244 19282 5821 1 8 . 1 1 45 45 GLN C C 45 175.402 175.402 175.522 -0.120 19282 5822 1 8 . 1 1 45 45 GLN CA C 45 57.103 57.103 55.497 1.606 19282 5823 1 8 . 1 1 45 45 GLN CB C 45 30.833 30.833 29.894 0.939 19282 5824 1 8 . 1 1 45 45 GLN H H 45 9.722 9.722 8.424 1.298 19282 5825 1 8 . 1 1 46 46 ASP N N 46 114.490 114.490 117.115 -2.625 19282 5826 1 8 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.780 -0.136 19282 5827 1 8 . 1 1 46 46 ASP C C 46 175.286 175.286 175.289 -0.003 19282 5828 1 8 . 1 1 46 46 ASP CA C 46 53.256 53.256 53.011 0.245 19282 5829 1 8 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.742 0.010 19282 5830 1 8 . 1 1 46 46 ASP H H 46 7.545 7.545 7.566 -0.021 19282 5831 1 8 . 1 1 47 47 GLN N N 47 118.745 118.745 120.244 -1.499 19282 5832 1 8 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.229 -0.226 19282 5833 1 8 . 1 1 47 47 GLN C C 47 177.858 177.858 177.559 0.299 19282 5834 1 8 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.675 0.320 19282 5835 1 8 . 1 1 47 47 GLN CB C 47 28.468 28.468 29.159 -0.691 19282 5836 1 8 . 1 1 47 47 GLN H H 47 8.954 8.954 8.777 0.177 19282 5837 1 8 . 1 1 48 48 GLU N N 48 121.721 121.721 119.751 1.970 19282 5838 1 8 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.078 0.004 19282 5839 1 8 . 1 1 48 48 GLU C C 48 179.073 179.073 178.969 0.104 19282 5840 1 8 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.416 0.534 19282 5841 1 8 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.463 -0.716 19282 5842 1 8 . 1 1 48 48 GLU H H 48 8.532 8.532 8.610 -0.078 19282 5843 1 8 . 1 1 49 49 GLU N N 49 120.709 120.709 119.430 1.279 19282 5844 1 8 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.327 -0.551 19282 5845 1 8 . 1 1 49 49 GLU C C 49 177.707 177.707 179.010 -1.303 19282 5846 1 8 . 1 1 49 49 GLU CA C 49 59.829 59.829 58.971 0.858 19282 5847 1 8 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.181 1.446 19282 5848 1 8 . 1 1 49 49 GLU H H 49 8.336 8.336 7.928 0.408 19282 5849 1 8 . 1 1 50 50 LEU N N 50 118.070 118.070 119.653 -1.583 19282 5850 1 8 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.920 0.017 19282 5851 1 8 . 1 1 50 50 LEU C C 50 177.342 177.342 179.178 -1.836 19282 5852 1 8 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.981 0.294 19282 5853 1 8 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.277 0.428 19282 5854 1 8 . 1 1 50 50 LEU H H 50 7.175 7.175 7.588 -0.413 19282 5855 1 8 . 1 1 51 51 ARG N N 51 117.898 117.898 118.311 -0.413 19282 5856 1 8 . 1 1 51 51 ARG HA H 51 3.807 3.807 3.980 -0.173 19282 5857 1 8 . 1 1 51 51 ARG C C 51 177.876 177.876 178.806 -0.930 19282 5858 1 8 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.588 0.785 19282 5859 1 8 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.631 0.297 19282 5860 1 8 . 1 1 51 51 ARG H H 51 8.135 8.135 8.040 0.095 19282 5861 1 8 . 1 1 52 52 PHE N N 52 118.865 118.865 121.153 -2.288 19282 5862 1 8 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.624 -0.496 19282 5863 1 8 . 1 1 52 52 PHE C C 52 178.379 178.379 177.805 0.574 19282 5864 1 8 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.248 1.032 19282 5865 1 8 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.172 -0.658 19282 5866 1 8 . 1 1 52 52 PHE H H 52 8.003 8.003 7.988 0.015 19282 5867 1 8 . 1 1 53 53 LEU N N 53 122.451 122.451 121.701 0.750 19282 5868 1 8 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.646 -0.242 19282 5869 1 8 . 1 1 53 53 LEU C C 53 178.870 178.870 178.934 -0.064 19282 5870 1 8 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.908 -0.612 19282 5871 1 8 . 1 1 53 53 LEU CB C 53 41.331 41.331 41.599 -0.268 19282 5872 1 8 . 1 1 53 53 LEU H H 53 7.824 7.824 8.295 -0.471 19282 5873 1 8 . 1 1 54 54 LEU N N 54 117.828 117.828 117.907 -0.079 19282 5874 1 8 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.803 -0.016 19282 5875 1 8 . 1 1 54 54 LEU C C 54 179.783 179.783 179.184 0.599 19282 5876 1 8 . 1 1 54 54 LEU CA C 54 57.933 57.933 57.713 0.220 19282 5877 1 8 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.941 -0.010 19282 5878 1 8 . 1 1 54 54 LEU H H 54 8.361 8.361 8.529 -0.168 19282 5879 1 8 . 1 1 55 55 ASP N N 55 116.846 116.846 117.872 -1.026 19282 5880 1 8 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.291 0.086 19282 5881 1 8 . 1 1 55 55 ASP C C 55 177.824 177.824 177.495 0.329 19282 5882 1 8 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.974 -0.742 19282 5883 1 8 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.367 0.466 19282 5884 1 8 . 1 1 55 55 ASP H H 55 7.933 7.933 7.677 0.256 19282 5885 1 8 . 1 1 56 56 SER N N 56 114.399 114.399 113.899 0.500 19282 5886 1 8 . 1 1 56 56 SER HA H 56 4.122 4.122 4.216 -0.094 19282 5887 1 8 . 1 1 56 56 SER C C 56 174.277 174.277 176.089 -1.812 19282 5888 1 8 . 1 1 56 56 SER CA C 56 60.677 60.677 59.686 0.991 19282 5889 1 8 . 1 1 56 56 SER CB C 56 63.675 63.675 63.718 -0.043 19282 5890 1 8 . 1 1 56 56 SER H H 56 7.441 7.441 7.377 0.064 19282 5891 1 8 . 1 1 57 57 ILE N N 57 121.159 121.159 122.386 -1.227 19282 5892 1 8 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.456 0.341 19282 5893 1 8 . 1 1 57 57 ILE C C 57 175.873 175.873 177.446 -1.573 19282 5894 1 8 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.788 -0.977 19282 5895 1 8 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.370 1.196 19282 5896 1 8 . 1 1 57 57 ILE H H 57 7.378 7.378 8.135 -0.757 19282 5897 1 8 . 1 1 58 58 LYS N N 58 124.292 124.292 116.806 7.486 19282 5898 1 8 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.834 0.330 19282 5899 1 8 . 1 1 58 58 LYS C C 58 177.266 177.266 177.481 -0.215 19282 5900 1 8 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.853 -1.530 19282 5901 1 8 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.435 1.855 19282 5902 1 8 . 1 1 58 58 LYS H H 58 8.218 8.218 7.773 0.445 19282 5903 1 8 . 1 1 59 59 GLU N N 59 119.807 119.807 119.504 0.303 19282 5904 1 8 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.376 -0.025 19282 5905 1 8 . 1 1 59 59 GLU C C 59 176.023 176.023 177.533 -1.510 19282 5906 1 8 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.199 -2.285 19282 5907 1 8 . 1 1 59 59 GLU CB C 59 28.831 28.831 30.299 -1.468 19282 5908 1 8 . 1 1 59 59 GLU H H 59 7.761 7.761 8.399 -0.638 19282 5909 1 8 . 1 1 60 60 LYS N N 60 120.606 120.606 112.115 8.491 19282 5910 1 8 . 1 1 60 60 LYS HA H 60 4.157 4.157 4.071 0.087 19282 5911 1 8 . 1 1 60 60 LYS C C 60 176.229 176.229 175.716 0.513 19282 5912 1 8 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.454 -1.446 19282 5913 1 8 . 1 1 60 60 LYS CB C 60 32.431 32.431 31.128 1.303 19282 5914 1 8 . 1 1 60 60 LYS H H 60 8.051 8.051 8.735 -0.683 19282 5915 1 8 . 1 1 61 61 TYR N N 61 115.876 115.876 117.386 -1.510 19282 5916 1 8 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.445 0.149 19282 5917 1 8 . 1 1 61 61 TYR C C 61 175.714 175.714 175.381 0.333 19282 5918 1 8 . 1 1 61 61 TYR CA C 61 57.110 57.110 58.408 -1.298 19282 5919 1 8 . 1 1 61 61 TYR CB C 61 37.499 37.499 36.581 0.918 19282 5920 1 8 . 1 1 61 61 TYR H H 61 7.756 7.756 8.491 -0.735 19282 5921 1 8 . 1 1 62 62 ASN N N 62 118.634 118.634 115.948 2.686 19282 5922 1 8 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.808 -0.078 19282 5923 1 8 . 1 1 62 62 ASN C C 62 173.016 173.016 172.784 0.232 19282 5924 1 8 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.752 0.902 19282 5925 1 8 . 1 1 62 62 ASN CB C 62 41.378 41.378 42.205 -0.827 19282 5926 1 8 . 1 1 62 62 ASN H H 62 7.477 7.477 7.429 0.048 19282 5927 1 8 . 1 1 63 63 SER N N 63 115.211 115.211 115.422 -0.211 19282 5928 1 8 . 1 1 63 63 SER HA H 63 5.256 5.256 5.131 0.125 19282 5929 1 8 . 1 1 63 63 SER C C 63 172.817 172.817 172.389 0.428 19282 5930 1 8 . 1 1 63 63 SER CA C 63 57.506 57.506 57.045 0.461 19282 5931 1 8 . 1 1 63 63 SER CB C 63 63.821 63.821 65.042 -1.221 19282 5932 1 8 . 1 1 63 63 SER H H 63 8.107 8.107 7.963 0.144 19282 5933 1 8 . 1 1 64 64 PHE N N 64 118.959 118.959 122.614 -3.655 19282 5934 1 8 . 1 1 64 64 PHE HA H 64 4.588 4.588 4.891 -0.303 19282 5935 1 8 . 1 1 64 64 PHE C C 64 175.495 175.495 175.448 0.047 19282 5936 1 8 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.484 -0.042 19282 5937 1 8 . 1 1 64 64 PHE CB C 64 42.226 42.226 39.795 2.431 19282 5938 1 8 . 1 1 64 64 PHE H H 64 8.735 8.735 8.729 0.006 19282 5939 1 8 . 1 1 65 65 TRP N N 65 124.651 124.651 125.554 -0.903 19282 5940 1 8 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.932 0.811 19282 5941 1 8 . 1 1 65 65 TRP C C 65 175.951 175.951 176.754 -0.803 19282 5942 1 8 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.471 -0.393 19282 5943 1 8 . 1 1 65 65 TRP CB C 65 32.676 32.676 29.983 2.693 19282 5944 1 8 . 1 1 65 65 TRP H H 65 10.282 10.282 9.104 1.178 19282 5945 1 8 . 1 1 66 66 ILE N N 66 109.430 109.430 116.160 -6.730 19282 5946 1 8 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.213 0.061 19282 5947 1 8 . 1 1 66 66 ILE C C 66 177.380 177.380 176.690 0.690 19282 5948 1 8 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.087 1.511 19282 5949 1 8 . 1 1 66 66 ILE CB C 66 41.764 41.764 41.075 0.689 19282 5950 1 8 . 1 1 66 66 ILE H H 66 8.443 8.443 8.843 -0.400 19282 5951 1 8 . 1 1 67 67 GLY N N 67 111.319 111.319 108.217 3.102 19282 5952 1 8 . 1 1 67 67 GLY C C 67 172.897 172.897 173.869 -0.972 19282 5953 1 8 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.833 4.162 19282 5954 1 8 . 1 1 67 67 GLY H H 67 10.395 10.395 9.161 1.234 19282 5955 1 8 . 1 1 68 68 LEU N N 68 127.499 127.499 122.637 4.862 19282 5956 1 8 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.330 0.554 19282 5957 1 8 . 1 1 68 68 LEU C C 68 173.367 173.367 175.551 -2.184 19282 5958 1 8 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.093 0.545 19282 5959 1 8 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.274 3.807 19282 5960 1 8 . 1 1 68 68 LEU H H 68 8.446 8.446 7.938 0.508 19282 5961 1 8 . 1 1 69 69 ARG N N 69 124.432 124.432 122.395 2.037 19282 5962 1 8 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.509 0.401 19282 5963 1 8 . 1 1 69 69 ARG C C 69 173.026 173.026 173.837 -0.811 19282 5964 1 8 . 1 1 69 69 ARG CA C 69 55.478 55.478 54.001 1.478 19282 5965 1 8 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.191 1.153 19282 5966 1 8 . 1 1 69 69 ARG H H 69 8.479 8.479 8.826 -0.347 19282 5967 1 8 . 1 1 70 70 TYR N N 70 128.687 128.687 126.800 1.887 19282 5968 1 8 . 1 1 70 70 TYR HA H 70 3.876 3.876 4.075 -0.199 19282 5969 1 8 . 1 1 70 70 TYR C C 70 175.118 175.118 175.035 0.083 19282 5970 1 8 . 1 1 70 70 TYR CA C 70 57.747 57.747 55.481 2.266 19282 5971 1 8 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.065 0.166 19282 5972 1 8 . 1 1 70 70 TYR H H 70 7.936 7.936 8.123 -0.187 19282 5973 1 8 . 1 1 71 71 THR N N 71 120.097 120.097 121.579 -1.482 19282 5974 1 8 . 1 1 71 71 THR HA H 71 4.477 4.477 4.246 0.231 19282 5975 1 8 . 1 1 71 71 THR C C 71 172.547 172.547 172.831 -0.284 19282 5976 1 8 . 1 1 71 71 THR CA C 71 60.631 60.631 61.123 -0.492 19282 5977 1 8 . 1 1 71 71 THR CB C 71 71.324 71.324 68.800 2.524 19282 5978 1 8 . 1 1 71 71 THR H H 71 7.701 7.701 8.239 -0.538 19282 5979 1 8 . 1 1 72 72 LEU N N 72 125.241 125.241 126.378 -1.137 19282 5980 1 8 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.572 -0.306 19282 5981 1 8 . 1 1 72 72 LEU C C 72 175.916 175.916 174.549 1.367 19282 5982 1 8 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.458 1.416 19282 5983 1 8 . 1 1 72 72 LEU CB C 72 41.820 41.820 42.593 -0.773 19282 5984 1 8 . 1 1 72 72 LEU H H 72 8.487 8.487 8.024 0.463 19282 5985 1 8 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.561 -0.152 19282 5986 1 8 . 1 1 73 73 PRO C C 73 176.278 176.278 175.095 1.183 19282 5987 1 8 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.671 0.878 19282 5988 1 8 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.218 1.918 19282 5989 1 8 . 1 1 74 74 ASP N N 74 123.018 123.018 122.213 0.805 19282 5990 1 8 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.471 -0.314 19282 5991 1 8 . 1 1 74 74 ASP C C 74 175.592 175.592 175.602 -0.010 19282 5992 1 8 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.576 1.952 19282 5993 1 8 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.765 -2.077 19282 5994 1 8 . 1 1 74 74 ASP H H 74 8.716 8.716 7.904 0.812 19282 5995 1 8 . 1 1 75 75 MET N N 75 113.361 113.361 114.822 -1.461 19282 5996 1 8 . 1 1 75 75 MET HA H 75 3.319 3.319 3.356 -0.037 19282 5997 1 8 . 1 1 75 75 MET C C 75 174.354 174.354 173.943 0.411 19282 5998 1 8 . 1 1 75 75 MET CA C 75 56.042 56.042 57.143 -1.101 19282 5999 1 8 . 1 1 75 75 MET CB C 75 29.181 29.181 30.822 -1.641 19282 6000 1 8 . 1 1 75 75 MET H H 75 8.421 8.421 8.166 0.255 19282 6001 1 8 . 1 1 76 76 ASN N N 76 112.997 112.997 116.160 -3.163 19282 6002 1 8 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.142 -0.334 19282 6003 1 8 . 1 1 76 76 ASN C C 76 173.984 173.984 173.637 0.347 19282 6004 1 8 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.829 -1.546 19282 6005 1 8 . 1 1 76 76 ASN CB C 76 41.823 41.823 40.960 0.863 19282 6006 1 8 . 1 1 76 76 ASN H H 76 6.883 6.883 7.726 -0.843 19282 6007 1 8 . 1 1 77 77 TRP N N 77 122.857 122.857 122.199 0.658 19282 6008 1 8 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.207 -0.673 19282 6009 1 8 . 1 1 77 77 TRP C C 77 175.329 175.329 176.086 -0.757 19282 6010 1 8 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.981 0.634 19282 6011 1 8 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.309 0.808 19282 6012 1 8 . 1 1 77 77 TRP H H 77 8.766 8.766 9.136 -0.370 19282 6013 1 8 . 1 1 78 78 LYS N N 78 121.731 121.731 121.007 0.724 19282 6014 1 8 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.905 0.064 19282 6015 1 8 . 1 1 78 78 LYS C C 78 177.225 177.225 175.521 1.704 19282 6016 1 8 . 1 1 78 78 LYS CA C 78 55.149 55.149 55.097 0.051 19282 6017 1 8 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.781 -0.084 19282 6018 1 8 . 1 1 78 78 LYS H H 78 8.584 8.584 8.544 0.040 19282 6019 1 8 . 1 1 79 79 TRP N N 79 124.809 124.809 119.623 5.186 19282 6020 1 8 . 1 1 79 79 TRP HA H 79 5.677 5.677 6.009 -0.332 19282 6021 1 8 . 1 1 79 79 TRP C C 79 180.969 180.969 179.293 1.676 19282 6022 1 8 . 1 1 79 79 TRP CA C 79 56.692 56.692 55.985 0.707 19282 6023 1 8 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.697 1.247 19282 6024 1 8 . 1 1 79 79 TRP H H 79 9.045 9.045 8.631 0.414 19282 6025 1 8 . 1 1 80 80 ILE N N 80 114.947 114.947 118.760 -3.813 19282 6026 1 8 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.908 0.447 19282 6027 1 8 . 1 1 80 80 ILE C C 80 175.690 175.690 176.296 -0.606 19282 6028 1 8 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.358 -0.576 19282 6029 1 8 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.694 0.590 19282 6030 1 8 . 1 1 80 80 ILE H H 80 8.493 8.493 8.502 -0.009 19282 6031 1 8 . 1 1 81 81 ASN N N 81 116.185 116.185 118.056 -1.871 19282 6032 1 8 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.716 0.176 19282 6033 1 8 . 1 1 81 81 ASN C C 81 176.344 176.344 176.131 0.213 19282 6034 1 8 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.586 0.201 19282 6035 1 8 . 1 1 81 81 ASN CB C 81 37.778 37.778 37.669 0.110 19282 6036 1 8 . 1 1 81 81 ASN H H 81 7.370 7.370 8.027 -0.657 19282 6037 1 8 . 1 1 82 82 GLY N N 82 108.864 108.864 108.726 0.138 19282 6038 1 8 . 1 1 82 82 GLY C C 82 174.321 174.321 174.288 0.033 19282 6039 1 8 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.145 0.161 19282 6040 1 8 . 1 1 82 82 GLY H H 82 8.621 8.621 7.929 0.692 19282 6041 1 8 . 1 1 83 83 SER N N 83 116.447 116.447 116.179 0.268 19282 6042 1 8 . 1 1 83 83 SER HA H 83 4.688 4.688 4.827 -0.139 19282 6043 1 8 . 1 1 83 83 SER C C 83 174.042 174.042 174.308 -0.266 19282 6044 1 8 . 1 1 83 83 SER CA C 83 58.822 58.822 58.186 0.636 19282 6045 1 8 . 1 1 83 83 SER CB C 83 64.512 64.512 64.627 -0.115 19282 6046 1 8 . 1 1 83 83 SER H H 83 7.894 7.894 8.078 -0.184 19282 6047 1 8 . 1 1 84 84 THR N N 84 117.358 117.358 117.896 -0.538 19282 6048 1 8 . 1 1 84 84 THR HA H 84 4.628 4.628 4.812 -0.184 19282 6049 1 8 . 1 1 84 84 THR C C 84 174.906 174.906 174.814 0.092 19282 6050 1 8 . 1 1 84 84 THR CA C 84 62.727 62.727 62.291 0.436 19282 6051 1 8 . 1 1 84 84 THR CB C 84 70.047 70.047 71.003 -0.956 19282 6052 1 8 . 1 1 84 84 THR H H 84 8.710 8.710 8.620 0.090 19282 6053 1 8 . 1 1 85 85 LEU N N 85 125.457 125.457 128.321 -2.864 19282 6054 1 8 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.776 -0.357 19282 6055 1 8 . 1 1 85 85 LEU C C 85 175.973 175.973 176.031 -0.058 19282 6056 1 8 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.445 0.723 19282 6057 1 8 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.967 0.493 19282 6058 1 8 . 1 1 85 85 LEU H H 85 8.244 8.244 8.284 -0.040 19282 6059 1 8 . 1 1 86 86 ASN N N 86 126.729 126.729 125.455 1.274 19282 6060 1 8 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.791 0.271 19282 6061 1 8 . 1 1 86 86 ASN C C 86 176.112 176.112 175.599 0.513 19282 6062 1 8 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.089 0.154 19282 6063 1 8 . 1 1 86 86 ASN CB C 86 38.631 38.631 37.772 0.859 19282 6064 1 8 . 1 1 86 86 ASN H H 86 9.042 9.042 9.120 -0.078 19282 6065 1 8 . 1 1 87 87 SER N N 87 120.386 120.386 119.481 0.905 19282 6066 1 8 . 1 1 87 87 SER HA H 87 4.606 4.606 4.361 0.245 19282 6067 1 8 . 1 1 87 87 SER C C 87 174.673 174.673 175.292 -0.619 19282 6068 1 8 . 1 1 87 87 SER CA C 87 59.908 59.908 60.216 -0.308 19282 6069 1 8 . 1 1 87 87 SER CB C 87 63.602 63.602 63.254 0.348 19282 6070 1 8 . 1 1 87 87 SER H H 87 8.724 8.724 8.211 0.513 19282 6071 1 8 . 1 1 88 88 ASP N N 88 120.189 120.189 122.228 -2.039 19282 6072 1 8 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.559 0.018 19282 6073 1 8 . 1 1 88 88 ASP C C 88 177.211 177.211 177.855 -0.644 19282 6074 1 8 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.947 -0.960 19282 6075 1 8 . 1 1 88 88 ASP CB C 88 40.640 40.640 41.287 -0.647 19282 6076 1 8 . 1 1 88 88 ASP H H 88 8.464 8.464 7.896 0.568 19282 6077 1 8 . 1 1 89 89 VAL N N 89 118.259 118.259 113.923 4.336 19282 6078 1 8 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.098 -0.111 19282 6079 1 8 . 1 1 89 89 VAL C C 89 175.071 175.071 175.868 -0.797 19282 6080 1 8 . 1 1 89 89 VAL CA C 89 64.434 64.434 63.877 0.556 19282 6081 1 8 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.723 0.240 19282 6082 1 8 . 1 1 89 89 VAL H H 89 7.783 7.783 7.992 -0.209 19282 6083 1 8 . 1 1 90 90 LEU N N 90 118.198 118.198 121.298 -3.100 19282 6084 1 8 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.590 -0.110 19282 6085 1 8 . 1 1 90 90 LEU C C 90 173.881 173.881 175.915 -2.034 19282 6086 1 8 . 1 1 90 90 LEU CA C 90 54.366 54.366 53.615 0.751 19282 6087 1 8 . 1 1 90 90 LEU CB C 90 44.266 44.266 42.785 1.481 19282 6088 1 8 . 1 1 90 90 LEU H H 90 7.537 7.537 7.545 -0.008 19282 6089 1 8 . 1 1 91 91 LYS N N 91 122.032 122.032 123.557 -1.525 19282 6090 1 8 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.414 0.019 19282 6091 1 8 . 1 1 91 91 LYS C C 91 175.565 175.565 175.145 0.420 19282 6092 1 8 . 1 1 91 91 LYS CA C 91 55.175 55.175 55.857 -0.682 19282 6093 1 8 . 1 1 91 91 LYS CB C 91 33.177 33.177 32.079 1.098 19282 6094 1 8 . 1 1 91 91 LYS H H 91 8.121 8.121 8.490 -0.369 19282 6095 1 8 . 1 1 92 92 ILE N N 92 123.168 123.168 123.801 -0.633 19282 6096 1 8 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.245 0.022 19282 6097 1 8 . 1 1 92 92 ILE C C 92 176.136 176.136 174.979 1.157 19282 6098 1 8 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.278 0.920 19282 6099 1 8 . 1 1 92 92 ILE CB C 92 39.028 39.028 41.933 -2.905 19282 6100 1 8 . 1 1 92 92 ILE H H 92 8.086 8.086 8.007 0.079 19282 6101 1 8 . 1 1 93 93 THR N N 93 119.647 119.647 117.806 1.841 19282 6102 1 8 . 1 1 93 93 THR HA H 93 4.487 4.487 4.986 -0.499 19282 6103 1 8 . 1 1 93 93 THR C C 93 173.748 173.748 174.838 -1.090 19282 6104 1 8 . 1 1 93 93 THR CA C 93 61.605 61.605 61.306 0.298 19282 6105 1 8 . 1 1 93 93 THR CB C 93 70.404 70.404 70.349 0.055 19282 6106 1 8 . 1 1 93 93 THR H H 93 8.238 8.238 8.033 0.205 19282 6107 1 8 . 1 1 94 94 GLY N N 94 111.397 111.397 111.126 0.271 19282 6108 1 8 . 1 1 94 94 GLY C C 94 172.757 172.757 172.790 -0.033 19282 6109 1 8 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.420 -0.706 19282 6110 1 8 . 1 1 94 94 GLY H H 94 8.133 8.133 7.888 0.245 19282 6111 1 8 . 1 1 95 95 ASP N N 95 119.905 119.905 119.221 0.684 19282 6112 1 8 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.474 0.269 19282 6113 1 8 . 1 1 95 95 ASP C C 95 175.600 175.600 175.338 0.262 19282 6114 1 8 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.318 0.865 19282 6115 1 8 . 1 1 95 95 ASP CB C 95 41.877 41.877 40.083 1.794 19282 6116 1 8 . 1 1 95 95 ASP H H 95 8.285 8.285 7.500 0.785 19282 6117 1 8 . 1 1 96 96 THR N N 96 115.409 115.409 117.854 -2.445 19282 6118 1 8 . 1 1 96 96 THR HA H 96 4.136 4.136 4.460 -0.324 19282 6119 1 8 . 1 1 96 96 THR C C 96 173.508 173.508 174.009 -0.501 19282 6120 1 8 . 1 1 96 96 THR CA C 96 61.369 61.369 61.905 -0.536 19282 6121 1 8 . 1 1 96 96 THR CB C 96 69.775 69.775 69.915 -0.140 19282 6122 1 8 . 1 1 96 96 THR H H 96 7.936 7.936 8.313 -0.377 19282 6123 1 8 . 1 1 97 97 GLU N N 97 123.162 123.162 121.758 1.404 19282 6124 1 8 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.109 0.115 19282 6125 1 8 . 1 1 97 97 GLU C C 97 175.455 175.455 174.707 0.748 19282 6126 1 8 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.847 -1.685 19282 6127 1 8 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.970 2.718 19282 6128 1 8 . 1 1 97 97 GLU H H 97 8.186 8.186 8.193 -0.007 19282 6129 1 8 . 1 1 98 98 ASN N N 98 117.342 117.342 117.767 -0.425 19282 6130 1 8 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.892 -0.371 19282 6131 1 8 . 1 1 98 98 ASN C C 98 174.251 174.251 173.930 0.321 19282 6132 1 8 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.212 1.237 19282 6133 1 8 . 1 1 98 98 ASN CB C 98 40.229 40.229 41.924 -1.695 19282 6134 1 8 . 1 1 98 98 ASN H H 98 7.997 7.997 8.238 -0.241 19282 6135 1 8 . 1 1 99 99 ASP N N 99 120.235 120.235 119.893 0.342 19282 6136 1 8 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.633 -0.040 19282 6137 1 8 . 1 1 99 99 ASP C C 99 176.261 176.261 175.729 0.532 19282 6138 1 8 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.401 1.736 19282 6139 1 8 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.981 -0.586 19282 6140 1 8 . 1 1 99 99 ASP H H 99 8.365 8.365 8.712 -0.347 19282 6141 1 8 . 1 1 100 100 SER N N 100 116.248 116.248 114.838 1.410 19282 6142 1 8 . 1 1 100 100 SER HA H 100 4.990 4.990 5.097 -0.107 19282 6143 1 8 . 1 1 100 100 SER C C 100 172.411 172.411 174.084 -1.673 19282 6144 1 8 . 1 1 100 100 SER CA C 100 59.212 59.212 57.868 1.344 19282 6145 1 8 . 1 1 100 100 SER CB C 100 66.127 66.127 64.336 1.791 19282 6146 1 8 . 1 1 100 100 SER H H 100 7.862 7.862 7.630 0.232 19282 6147 1 8 . 1 1 101 101 CYS N N 101 121.559 121.559 115.576 5.983 19282 6148 1 8 . 1 1 101 101 CYS HA H 101 5.056 5.056 4.983 0.073 19282 6149 1 8 . 1 1 101 101 CYS C C 101 172.356 172.356 173.358 -1.002 19282 6150 1 8 . 1 1 101 101 CYS CA C 101 59.446 59.446 55.816 3.630 19282 6151 1 8 . 1 1 101 101 CYS CB C 101 45.631 45.631 31.050 14.581 19282 6152 1 8 . 1 1 101 101 CYS H H 101 9.231 9.231 9.243 -0.012 19282 6153 1 8 . 1 1 102 102 ALA N N 102 124.390 124.390 122.514 1.876 19282 6154 1 8 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.637 -0.257 19282 6155 1 8 . 1 1 102 102 ALA C C 102 175.442 175.442 175.787 -0.345 19282 6156 1 8 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.300 1.327 19282 6157 1 8 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.485 0.486 19282 6158 1 8 . 1 1 102 102 ALA H H 102 8.393 8.393 8.924 -0.531 19282 6159 1 8 . 1 1 103 103 ALA N N 103 120.824 120.824 122.958 -2.134 19282 6160 1 8 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.385 0.106 19282 6161 1 8 . 1 1 103 103 ALA C C 103 176.664 176.664 175.413 1.251 19282 6162 1 8 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.491 -0.108 19282 6163 1 8 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.704 0.308 19282 6164 1 8 . 1 1 103 103 ALA H H 103 8.859 8.859 9.294 -0.435 19282 6165 1 8 . 1 1 104 104 ILE N N 104 119.488 119.488 121.142 -1.654 19282 6166 1 8 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.595 0.024 19282 6167 1 8 . 1 1 104 104 ILE C C 104 175.968 175.968 176.128 -0.160 19282 6168 1 8 . 1 1 104 104 ILE CA C 104 61.121 61.121 61.070 0.051 19282 6169 1 8 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.797 2.496 19282 6170 1 8 . 1 1 104 104 ILE H H 104 9.301 9.301 8.850 0.451 19282 6171 1 8 . 1 1 105 105 SER N N 105 121.988 121.988 121.653 0.335 19282 6172 1 8 . 1 1 105 105 SER HA H 105 4.793 4.793 5.263 -0.470 19282 6173 1 8 . 1 1 105 105 SER C C 105 175.288 175.288 173.832 1.456 19282 6174 1 8 . 1 1 105 105 SER CA C 105 56.729 56.729 56.372 0.357 19282 6175 1 8 . 1 1 105 105 SER CB C 105 64.136 64.136 63.736 0.400 19282 6176 1 8 . 1 1 105 105 SER H H 105 8.747 8.747 8.396 0.351 19282 6177 1 8 . 1 1 106 106 GLY N N 106 117.934 117.934 109.962 7.972 19282 6178 1 8 . 1 1 106 106 GLY C C 106 173.274 173.274 173.287 -0.013 19282 6179 1 8 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.351 2.510 19282 6180 1 8 . 1 1 106 106 GLY H H 106 9.283 9.283 7.360 1.923 19282 6181 1 8 . 1 1 107 107 ASP N N 107 122.936 122.936 120.624 2.312 19282 6182 1 8 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.539 0.094 19282 6183 1 8 . 1 1 107 107 ASP C C 107 174.997 174.997 175.946 -0.949 19282 6184 1 8 . 1 1 107 107 ASP CA C 107 53.502 53.502 55.203 -1.701 19282 6185 1 8 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.219 -0.291 19282 6186 1 8 . 1 1 107 107 ASP H H 107 8.420 8.420 8.444 -0.024 19282 6187 1 8 . 1 1 108 108 LYS N N 108 116.770 116.770 118.575 -1.805 19282 6188 1 8 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.461 0.263 19282 6189 1 8 . 1 1 108 108 LYS C C 108 173.949 173.949 175.489 -1.540 19282 6190 1 8 . 1 1 108 108 LYS CA C 108 54.743 54.743 54.380 0.363 19282 6191 1 8 . 1 1 108 108 LYS CB C 108 35.423 35.423 33.520 1.903 19282 6192 1 8 . 1 1 108 108 LYS H H 108 7.764 7.764 7.660 0.104 19282 6193 1 8 . 1 1 109 109 VAL N N 109 120.190 120.190 121.311 -1.121 19282 6194 1 8 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.629 0.102 19282 6195 1 8 . 1 1 109 109 VAL C C 109 175.297 175.297 176.033 -0.736 19282 6196 1 8 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.937 0.072 19282 6197 1 8 . 1 1 109 109 VAL CB C 109 31.996 31.996 31.595 0.401 19282 6198 1 8 . 1 1 109 109 VAL H H 109 8.315 8.315 8.705 -0.390 19282 6199 1 8 . 1 1 110 110 THR N N 110 121.358 121.358 118.864 2.494 19282 6200 1 8 . 1 1 110 110 THR HA H 110 4.765 4.765 4.569 0.196 19282 6201 1 8 . 1 1 110 110 THR C C 110 172.026 172.026 172.738 -0.712 19282 6202 1 8 . 1 1 110 110 THR CA C 110 59.150 59.150 59.679 -0.529 19282 6203 1 8 . 1 1 110 110 THR CB C 110 71.063 71.063 71.626 -0.563 19282 6204 1 8 . 1 1 110 110 THR H H 110 9.253 9.253 9.124 0.129 19282 6205 1 8 . 1 1 111 111 PHE N N 111 116.390 116.390 114.448 1.942 19282 6206 1 8 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.604 -0.001 19282 6207 1 8 . 1 1 111 111 PHE C C 111 174.645 174.645 173.871 0.774 19282 6208 1 8 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.243 -0.281 19282 6209 1 8 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.516 -0.540 19282 6210 1 8 . 1 1 111 111 PHE H H 111 7.934 7.934 8.052 -0.118 19282 6211 1 8 . 1 1 112 112 GLU N N 112 119.577 119.577 121.796 -2.219 19282 6212 1 8 . 1 1 112 112 GLU HA H 112 4.920 4.920 5.001 -0.081 19282 6213 1 8 . 1 1 112 112 GLU C C 112 175.303 175.303 175.312 -0.009 19282 6214 1 8 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.082 0.605 19282 6215 1 8 . 1 1 112 112 GLU CB C 112 34.154 34.154 33.695 0.459 19282 6216 1 8 . 1 1 112 112 GLU H H 112 9.266 9.266 9.092 0.174 19282 6217 1 8 . 1 1 113 113 SER N N 113 114.911 114.911 116.692 -1.781 19282 6218 1 8 . 1 1 113 113 SER HA H 113 4.706 4.706 4.715 -0.009 19282 6219 1 8 . 1 1 113 113 SER C C 113 178.063 178.063 176.276 1.787 19282 6220 1 8 . 1 1 113 113 SER CA C 113 59.218 59.218 58.614 0.604 19282 6221 1 8 . 1 1 113 113 SER CB C 113 63.646 63.646 63.676 -0.030 19282 6222 1 8 . 1 1 113 113 SER H H 113 8.880 8.880 8.666 0.214 19282 6223 1 8 . 1 1 114 114 CYS N N 114 125.039 125.039 123.574 1.465 19282 6224 1 8 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.550 0.721 19282 6225 1 8 . 1 1 114 114 CYS C C 114 174.382 174.382 176.230 -1.848 19282 6226 1 8 . 1 1 114 114 CYS CA C 114 59.652 59.652 61.520 -1.868 19282 6227 1 8 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.898 19.726 19282 6228 1 8 . 1 1 114 114 CYS H H 114 9.143 9.143 8.294 0.849 19282 6229 1 8 . 1 1 115 115 ASN N N 115 116.644 116.644 114.905 1.739 19282 6230 1 8 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.583 0.493 19282 6231 1 8 . 1 1 115 115 ASN C C 115 175.268 175.268 175.356 -0.088 19282 6232 1 8 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.535 -0.430 19282 6233 1 8 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.401 -0.316 19282 6234 1 8 . 1 1 115 115 ASN H H 115 8.251 8.251 8.574 -0.323 19282 6235 1 8 . 1 1 116 116 SER N N 116 117.296 117.296 116.879 0.417 19282 6236 1 8 . 1 1 116 116 SER HA H 116 4.509 4.509 4.509 0.000 19282 6237 1 8 . 1 1 116 116 SER C C 116 170.342 170.342 174.223 -3.881 19282 6238 1 8 . 1 1 116 116 SER CA C 116 59.592 59.592 58.392 1.200 19282 6239 1 8 . 1 1 116 116 SER CB C 116 63.948 63.948 64.652 -0.704 19282 6240 1 8 . 1 1 116 116 SER H H 116 7.988 7.988 8.100 -0.112 19282 6241 1 8 . 1 1 117 117 ASP N N 117 119.393 119.393 123.712 -4.319 19282 6242 1 8 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.029 -0.196 19282 6243 1 8 . 1 1 117 117 ASP C C 117 174.981 174.981 175.361 -0.380 19282 6244 1 8 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.042 -0.711 19282 6245 1 8 . 1 1 117 117 ASP CB C 117 41.632 41.632 41.028 0.605 19282 6246 1 8 . 1 1 117 117 ASP H H 117 8.027 8.027 8.685 -0.658 19282 6247 1 8 . 1 1 118 118 ASN N N 118 121.127 121.127 122.911 -1.784 19282 6248 1 8 . 1 1 118 118 ASN HA H 118 4.940 4.940 5.015 -0.075 19282 6249 1 8 . 1 1 118 118 ASN C C 118 176.169 176.169 174.542 1.627 19282 6250 1 8 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.031 0.043 19282 6251 1 8 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.315 -1.083 19282 6252 1 8 . 1 1 118 118 ASN H H 118 8.634 8.634 9.049 -0.415 19282 6253 1 8 . 1 1 119 119 ARG N N 119 118.108 118.108 118.444 -0.336 19282 6254 1 8 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.955 -1.464 19282 6255 1 8 . 1 1 119 119 ARG C C 119 174.125 174.125 176.342 -2.217 19282 6256 1 8 . 1 1 119 119 ARG CA C 119 56.668 56.668 54.979 1.689 19282 6257 1 8 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.602 -0.259 19282 6258 1 8 . 1 1 119 119 ARG H H 119 6.943 6.943 8.661 -1.718 19282 6259 1 8 . 1 1 120 120 TRP N N 120 113.700 113.700 115.864 -2.164 19282 6260 1 8 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.388 0.337 19282 6261 1 8 . 1 1 120 120 TRP C C 120 173.109 173.109 173.618 -0.509 19282 6262 1 8 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.797 0.851 19282 6263 1 8 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.267 0.804 19282 6264 1 8 . 1 1 120 120 TRP H H 120 8.511 8.511 8.146 0.365 19282 6265 1 8 . 1 1 121 121 ILE N N 121 117.255 117.255 119.726 -2.471 19282 6266 1 8 . 1 1 121 121 ILE HA H 121 5.338 5.338 5.028 0.310 19282 6267 1 8 . 1 1 121 121 ILE C C 121 176.617 176.617 175.370 1.247 19282 6268 1 8 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.255 0.175 19282 6269 1 8 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.989 0.419 19282 6270 1 8 . 1 1 121 121 ILE H H 121 7.551 7.551 9.139 -1.588 19282 6271 1 8 . 1 1 122 122 CYS N N 122 122.116 122.116 126.293 -4.177 19282 6272 1 8 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.357 0.647 19282 6273 1 8 . 1 1 122 122 CYS C C 122 174.897 174.897 174.105 0.792 19282 6274 1 8 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.722 -6.146 19282 6275 1 8 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.323 10.095 19282 6276 1 8 . 1 1 122 122 CYS H H 122 9.449 9.449 9.174 0.275 19282 6277 1 8 . 1 1 123 123 GLN N N 123 118.635 118.635 120.626 -1.991 19282 6278 1 8 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.164 0.063 19282 6279 1 8 . 1 1 123 123 GLN C C 123 174.014 174.014 174.719 -0.705 19282 6280 1 8 . 1 1 123 123 GLN CA C 123 53.829 53.829 53.651 0.178 19282 6281 1 8 . 1 1 123 123 GLN CB C 123 34.972 34.972 32.950 2.022 19282 6282 1 8 . 1 1 123 123 GLN H H 123 10.073 10.073 9.752 0.321 19282 6283 1 8 . 1 1 124 124 LYS N N 124 121.677 121.677 121.836 -0.159 19282 6284 1 8 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.552 0.287 19282 6285 1 8 . 1 1 124 124 LYS C C 124 174.809 174.809 175.368 -0.559 19282 6286 1 8 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.554 0.849 19282 6287 1 8 . 1 1 124 124 LYS CB C 124 37.577 37.577 34.711 2.866 19282 6288 1 8 . 1 1 124 124 LYS H H 124 9.115 9.115 8.934 0.181 19282 6289 1 8 . 1 1 125 125 GLU N N 125 122.487 122.487 127.675 -5.188 19282 6290 1 8 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.189 0.386 19282 6291 1 8 . 1 1 125 125 GLU C C 125 176.057 176.057 175.617 0.440 19282 6292 1 8 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.355 -1.334 19282 6293 1 8 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.447 1.706 19282 6294 1 8 . 1 1 125 125 GLU H H 125 8.695 8.695 8.946 -0.251 19282 6295 1 8 . 1 1 126 126 LEU N N 126 123.898 123.898 128.049 -4.151 19282 6296 1 8 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.235 -0.096 19282 6297 1 8 . 1 1 126 126 LEU C C 126 176.479 176.479 176.126 0.353 19282 6298 1 8 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.016 0.567 19282 6299 1 8 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.942 -0.317 19282 6300 1 8 . 1 1 126 126 LEU H H 126 8.332 8.332 8.298 0.034 19282 6301 1 8 . 1 1 127 127 TYR N N 127 118.052 118.052 113.612 4.440 19282 6302 1 8 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.433 0.096 19282 6303 1 8 . 1 1 127 127 TYR C C 127 175.072 175.072 173.090 1.982 19282 6304 1 8 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.144 0.342 19282 6305 1 8 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.136 -3.267 19282 6306 1 8 . 1 1 127 127 TYR H H 127 8.028 8.028 7.531 0.497 19282 6307 1 8 . 1 1 128 128 HIS N N 128 120.723 120.723 115.404 5.319 19282 6308 1 8 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.929 -0.345 19282 6309 1 8 . 1 1 128 128 HIS C C 128 174.487 174.487 173.284 1.203 19282 6310 1 8 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.426 1.262 19282 6311 1 8 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.294 -1.779 19282 6312 1 8 . 1 1 128 128 HIS H H 128 8.014 8.014 8.233 -0.219 19282 6313 1 8 . 1 1 129 129 GLU N N 129 122.855 122.855 119.630 3.225 19282 6314 1 8 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.819 -0.535 19282 6315 1 8 . 1 1 129 129 GLU C C 129 176.492 176.492 175.198 1.294 19282 6316 1 8 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.965 1.852 19282 6317 1 8 . 1 1 129 129 GLU CB C 129 30.472 30.472 32.890 -2.418 19282 6318 1 8 . 1 1 129 129 GLU H H 129 8.424 8.424 8.753 -0.329 19282 6319 1 8 . 1 1 130 130 THR N N 130 116.228 116.228 113.508 2.720 19282 6320 1 8 . 1 1 130 130 THR HA H 130 4.339 4.339 4.584 -0.245 19282 6321 1 8 . 1 1 130 130 THR C C 130 174.589 174.589 173.484 1.105 19282 6322 1 8 . 1 1 130 130 THR CA C 130 62.205 62.205 61.238 0.967 19282 6323 1 8 . 1 1 130 130 THR CB C 130 69.939 69.939 70.250 -0.311 19282 6324 1 8 . 1 1 130 130 THR H H 130 8.311 8.311 8.326 -0.015 19282 6325 1 8 . 1 1 131 131 LEU N N 131 124.856 124.856 119.979 4.877 19282 6326 1 8 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.120 0.290 19282 6327 1 8 . 1 1 131 131 LEU C C 131 177.438 177.438 176.234 1.204 19282 6328 1 8 . 1 1 131 131 LEU CA C 131 55.362 55.362 55.276 0.086 19282 6329 1 8 . 1 1 131 131 LEU CB C 131 42.356 42.356 41.878 0.478 19282 6330 1 8 . 1 1 131 131 LEU H H 131 8.294 8.294 8.761 -0.467 19282 6331 1 8 . 1 1 132 132 SER N N 132 116.127 116.127 113.495 2.632 19282 6332 1 8 . 1 1 132 132 SER HA H 132 4.397 4.397 4.155 0.242 19282 6333 1 8 . 1 1 132 132 SER C C 132 174.250 174.250 173.147 1.103 19282 6334 1 8 . 1 1 132 132 SER CA C 132 58.571 58.571 59.397 -0.826 19282 6335 1 8 . 1 1 132 132 SER CB C 132 63.862 63.862 63.236 0.626 19282 6336 1 8 . 1 1 132 132 SER H H 132 8.255 8.255 8.579 -0.324 19282 6337 1 8 . 1 1 133 133 ASN N N 133 120.181 120.181 118.270 1.911 19282 6338 1 8 . 1 1 133 133 ASN HA H 133 4.692 4.692 5.028 -0.336 19282 6339 1 8 . 1 1 133 133 ASN C C 133 174.658 174.658 173.425 1.233 19282 6340 1 8 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.603 -0.265 19282 6341 1 8 . 1 1 133 133 ASN CB C 133 38.838 38.838 41.904 -3.066 19282 6342 1 8 . 1 1 133 133 ASN H H 133 8.293 8.293 8.515 -0.222 19282 6343 1 8 . 1 1 134 134 TYR N N 134 120.605 120.605 113.829 6.776 19282 6344 1 8 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.815 -0.242 19282 6345 1 8 . 1 1 134 134 TYR C C 134 175.726 175.726 173.577 2.149 19282 6346 1 8 . 1 1 134 134 TYR CA C 134 58.149 58.149 57.443 0.706 19282 6347 1 8 . 1 1 134 134 TYR CB C 134 38.845 38.845 38.769 0.076 19282 6348 1 8 . 1 1 134 134 TYR H H 134 8.067 8.067 7.487 0.580 19282 6349 1 8 . 1 1 135 135 VAL N N 135 122.466 122.466 122.976 -0.510 19282 6350 1 8 . 1 1 135 135 VAL HA H 135 4.047 4.047 4.105 -0.058 19282 6351 1 8 . 1 1 135 135 VAL C C 135 176.130 176.130 176.331 -0.201 19282 6352 1 8 . 1 1 135 135 VAL CA C 135 62.546 62.546 61.995 0.551 19282 6353 1 8 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.892 -0.114 19282 6354 1 8 . 1 1 135 135 VAL H H 135 7.952 7.952 8.570 -0.618 19282 6355 1 8 . 1 1 136 136 GLY N N 136 111.336 111.336 106.717 4.619 19282 6356 1 8 . 1 1 136 136 GLY C C 136 173.652 173.652 172.895 0.757 19282 6357 1 8 . 1 1 136 136 GLY CA C 136 45.218 45.218 45.927 -0.709 19282 6358 1 8 . 1 1 136 136 GLY H H 136 7.915 7.915 7.799 0.116 19282 6359 1 8 . 1 1 137 137 TYR N N 137 119.801 119.801 122.142 -2.341 19282 6360 1 8 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.750 -0.186 19282 6361 1 8 . 1 1 137 137 TYR C C 137 176.375 176.375 175.701 0.674 19282 6362 1 8 . 1 1 137 137 TYR CA C 137 58.168 58.168 57.425 0.744 19282 6363 1 8 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.873 0.052 19282 6364 1 8 . 1 1 137 137 TYR H H 137 7.994 7.994 8.581 -0.587 19282 6365 1 8 . 1 1 138 138 GLY N N 138 110.979 110.979 107.310 3.669 19282 6366 1 8 . 1 1 138 138 GLY C C 138 173.159 173.159 173.953 -0.794 19282 6367 1 8 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.224 0.151 19282 6368 1 8 . 1 1 138 138 GLY H H 138 8.345 8.345 8.482 -0.137 19282 6369 1 9 . 1 1 2 2 ALA HA H 2 4.384 4.384 5.064 -0.680 19282 6370 1 9 . 1 1 2 2 ALA C C 2 177.184 177.184 176.875 0.309 19282 6371 1 9 . 1 1 2 2 ALA CA C 2 52.459 52.459 51.279 1.180 19282 6372 1 9 . 1 1 2 2 ALA CB C 2 19.488 19.488 21.561 -2.074 19282 6373 1 9 . 1 1 3 3 LYS N N 3 120.996 120.996 121.269 -0.273 19282 6374 1 9 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.127 0.192 19282 6375 1 9 . 1 1 3 3 LYS C C 3 176.038 176.038 176.654 -0.616 19282 6376 1 9 . 1 1 3 3 LYS CA C 3 56.188 56.188 57.846 -1.658 19282 6377 1 9 . 1 1 3 3 LYS CB C 3 33.261 33.261 33.114 0.147 19282 6378 1 9 . 1 1 3 3 LYS H H 3 8.272 8.272 8.786 -0.514 19282 6379 1 9 . 1 1 4 4 LEU N N 4 124.847 124.847 117.395 7.452 19282 6380 1 9 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.650 -0.254 19282 6381 1 9 . 1 1 4 4 LEU C C 4 175.745 175.745 175.566 0.179 19282 6382 1 9 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.072 1.720 19282 6383 1 9 . 1 1 4 4 LEU CB C 4 42.683 42.683 45.181 -2.498 19282 6384 1 9 . 1 1 4 4 LEU H H 4 8.247 8.247 7.638 0.609 19282 6385 1 9 . 1 1 5 5 GLU N N 5 120.599 120.599 118.786 1.813 19282 6386 1 9 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.667 -0.148 19282 6387 1 9 . 1 1 5 5 GLU C C 5 176.076 176.076 175.797 0.279 19282 6388 1 9 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.090 -0.093 19282 6389 1 9 . 1 1 5 5 GLU CB C 5 32.353 32.353 31.478 0.875 19282 6390 1 9 . 1 1 5 5 GLU H H 5 8.093 8.093 8.397 -0.304 19282 6391 1 9 . 1 1 6 6 CYS N N 6 120.079 120.079 119.191 0.888 19282 6392 1 9 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.853 -0.117 19282 6393 1 9 . 1 1 6 6 CYS C C 6 172.237 172.237 172.623 -0.386 19282 6394 1 9 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.793 -2.575 19282 6395 1 9 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.816 9.629 19282 6396 1 9 . 1 1 6 6 CYS H H 6 8.750 8.750 8.476 0.274 19282 6397 1 9 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.608 -0.259 19282 6398 1 9 . 1 1 7 7 PRO C C 7 176.014 176.014 178.128 -2.114 19282 6399 1 9 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.627 -0.154 19282 6400 1 9 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.481 -1.280 19282 6401 1 9 . 1 1 8 8 GLN N N 8 120.940 120.940 119.156 1.784 19282 6402 1 9 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.021 0.087 19282 6403 1 9 . 1 1 8 8 GLN C C 8 176.701 176.701 176.436 0.265 19282 6404 1 9 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.702 -0.616 19282 6405 1 9 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.399 0.444 19282 6406 1 9 . 1 1 8 8 GLN H H 8 8.443 8.443 8.795 -0.352 19282 6407 1 9 . 1 1 9 9 ASP N N 9 116.982 116.982 118.386 -1.404 19282 6408 1 9 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.598 -0.082 19282 6409 1 9 . 1 1 9 9 ASP C C 9 176.201 176.201 175.581 0.620 19282 6410 1 9 . 1 1 9 9 ASP CA C 9 56.613 56.613 55.089 1.524 19282 6411 1 9 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.502 -1.091 19282 6412 1 9 . 1 1 9 9 ASP H H 9 9.023 9.023 8.478 0.545 19282 6413 1 9 . 1 1 10 10 TRP N N 10 121.568 121.568 119.484 2.084 19282 6414 1 9 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.112 -0.049 19282 6415 1 9 . 1 1 10 10 TRP C C 10 175.997 175.997 176.429 -0.432 19282 6416 1 9 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.398 1.266 19282 6417 1 9 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.166 -1.091 19282 6418 1 9 . 1 1 10 10 TRP H H 10 8.440 8.440 7.741 0.699 19282 6419 1 9 . 1 1 11 11 LEU N N 11 123.195 123.195 127.135 -3.940 19282 6420 1 9 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.533 0.231 19282 6421 1 9 . 1 1 11 11 LEU C C 11 176.837 176.837 177.331 -0.494 19282 6422 1 9 . 1 1 11 11 LEU CA C 11 54.607 54.607 54.349 0.258 19282 6423 1 9 . 1 1 11 11 LEU CB C 11 44.386 44.386 41.386 3.000 19282 6424 1 9 . 1 1 11 11 LEU H H 11 9.613 9.613 9.335 0.278 19282 6425 1 9 . 1 1 12 12 SER N N 12 116.705 116.705 120.628 -3.923 19282 6426 1 9 . 1 1 12 12 SER HA H 12 5.389 5.389 4.383 1.006 19282 6427 1 9 . 1 1 12 12 SER C C 12 174.164 174.164 173.951 0.213 19282 6428 1 9 . 1 1 12 12 SER CA C 12 57.066 57.066 58.627 -1.561 19282 6429 1 9 . 1 1 12 12 SER CB C 12 65.488 65.488 62.881 2.607 19282 6430 1 9 . 1 1 12 12 SER H H 12 8.733 8.733 8.597 0.136 19282 6431 1 9 . 1 1 13 13 HIS N N 13 123.615 123.615 127.004 -3.389 19282 6432 1 9 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.498 -0.193 19282 6433 1 9 . 1 1 13 13 HIS C C 13 173.536 173.536 174.462 -0.926 19282 6434 1 9 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.282 1.995 19282 6435 1 9 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.027 0.925 19282 6436 1 9 . 1 1 13 13 HIS H H 13 8.303 8.303 8.569 -0.266 19282 6437 1 9 . 1 1 14 14 ARG N N 14 125.609 125.609 125.249 0.360 19282 6438 1 9 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.518 0.004 19282 6439 1 9 . 1 1 14 14 ARG C C 14 175.434 175.434 176.310 -0.876 19282 6440 1 9 . 1 1 14 14 ARG CA C 14 58.414 58.414 59.449 -1.035 19282 6441 1 9 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.516 -0.734 19282 6442 1 9 . 1 1 14 14 ARG H H 14 8.858 8.858 8.523 0.335 19282 6443 1 9 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.712 0.051 19282 6444 1 9 . 1 1 15 15 ASP C C 15 174.250 174.250 174.719 -0.469 19282 6445 1 9 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.831 1.654 19282 6446 1 9 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.676 -1.228 19282 6447 1 9 . 1 1 16 16 LYS N N 16 118.266 118.266 117.890 0.376 19282 6448 1 9 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.716 0.300 19282 6449 1 9 . 1 1 16 16 LYS C C 16 175.472 175.472 174.119 1.353 19282 6450 1 9 . 1 1 16 16 LYS CA C 16 55.564 55.564 55.137 0.427 19282 6451 1 9 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.382 0.923 19282 6452 1 9 . 1 1 16 16 LYS H H 16 8.289 8.289 7.825 0.464 19282 6453 1 9 . 1 1 17 17 CYS N N 17 118.232 118.232 117.705 0.527 19282 6454 1 9 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.236 0.698 19282 6455 1 9 . 1 1 17 17 CYS C C 17 174.859 174.859 173.812 1.047 19282 6456 1 9 . 1 1 17 17 CYS CA C 17 52.547 52.547 58.144 -5.596 19282 6457 1 9 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.664 13.533 19282 6458 1 9 . 1 1 17 17 CYS H H 17 8.492 8.492 8.383 0.109 19282 6459 1 9 . 1 1 18 18 PHE N N 18 121.121 121.121 120.965 0.156 19282 6460 1 9 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.726 0.520 19282 6461 1 9 . 1 1 18 18 PHE C C 18 174.238 174.238 175.319 -1.081 19282 6462 1 9 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.966 1.461 19282 6463 1 9 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.366 0.824 19282 6464 1 9 . 1 1 18 18 PHE H H 18 10.029 10.029 9.040 0.989 19282 6465 1 9 . 1 1 19 19 HIS N N 19 122.393 122.393 120.903 1.490 19282 6466 1 9 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.710 -0.347 19282 6467 1 9 . 1 1 19 19 HIS C C 19 172.933 172.933 172.884 0.049 19282 6468 1 9 . 1 1 19 19 HIS CA C 19 55.082 55.082 55.128 -0.046 19282 6469 1 9 . 1 1 19 19 HIS CB C 19 30.399 30.399 33.077 -2.678 19282 6470 1 9 . 1 1 19 19 HIS H H 19 8.624 8.624 9.394 -0.770 19282 6471 1 9 . 1 1 20 20 VAL N N 20 128.351 128.351 128.887 -0.536 19282 6472 1 9 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.939 0.252 19282 6473 1 9 . 1 1 20 20 VAL C C 20 174.971 174.971 174.965 0.006 19282 6474 1 9 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.066 -1.017 19282 6475 1 9 . 1 1 20 20 VAL CB C 20 32.109 32.109 30.878 1.232 19282 6476 1 9 . 1 1 20 20 VAL H H 20 7.880 7.880 8.239 -0.359 19282 6477 1 9 . 1 1 21 21 SER N N 21 123.985 123.985 124.390 -0.405 19282 6478 1 9 . 1 1 21 21 SER HA H 21 3.904 3.904 4.143 -0.239 19282 6479 1 9 . 1 1 21 21 SER C C 21 173.842 173.842 174.274 -0.432 19282 6480 1 9 . 1 1 21 21 SER CA C 21 59.417 59.417 57.969 1.448 19282 6481 1 9 . 1 1 21 21 SER CB C 21 62.993 62.993 62.546 0.447 19282 6482 1 9 . 1 1 21 21 SER H H 21 8.802 8.802 8.030 0.772 19282 6483 1 9 . 1 1 22 22 GLN N N 22 118.390 118.390 124.206 -5.816 19282 6484 1 9 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.288 -0.015 19282 6485 1 9 . 1 1 22 22 GLN C C 22 175.650 175.650 174.705 0.945 19282 6486 1 9 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.697 0.029 19282 6487 1 9 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.675 1.367 19282 6488 1 9 . 1 1 22 22 GLN H H 22 8.866 8.866 8.476 0.390 19282 6489 1 9 . 1 1 23 23 VAL N N 23 113.258 113.258 113.336 -0.078 19282 6490 1 9 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.520 -0.206 19282 6491 1 9 . 1 1 23 23 VAL C C 23 172.691 172.691 175.284 -2.593 19282 6492 1 9 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.095 0.691 19282 6493 1 9 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.706 0.662 19282 6494 1 9 . 1 1 23 23 VAL H H 23 6.897 6.897 7.162 -0.265 19282 6495 1 9 . 1 1 24 24 SER N N 24 115.205 115.205 119.379 -4.174 19282 6496 1 9 . 1 1 24 24 SER HA H 24 4.894 4.894 5.241 -0.347 19282 6497 1 9 . 1 1 24 24 SER C C 24 173.846 173.846 173.871 -0.025 19282 6498 1 9 . 1 1 24 24 SER CA C 24 56.040 56.040 58.237 -2.197 19282 6499 1 9 . 1 1 24 24 SER CB C 24 65.361 65.361 64.858 0.503 19282 6500 1 9 . 1 1 24 24 SER H H 24 8.125 8.125 8.573 -0.448 19282 6501 1 9 . 1 1 25 25 ASN N N 25 122.669 122.669 119.883 2.786 19282 6502 1 9 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.164 -0.076 19282 6503 1 9 . 1 1 25 25 ASN C C 25 175.285 175.285 174.067 1.218 19282 6504 1 9 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.418 0.612 19282 6505 1 9 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.640 -1.105 19282 6506 1 9 . 1 1 25 25 ASN H H 25 9.854 9.854 9.509 0.345 19282 6507 1 9 . 1 1 26 26 THR N N 26 113.569 113.569 112.687 0.882 19282 6508 1 9 . 1 1 26 26 THR HA H 26 5.520 5.520 5.540 -0.020 19282 6509 1 9 . 1 1 26 26 THR C C 26 174.350 174.350 176.025 -1.675 19282 6510 1 9 . 1 1 26 26 THR CA C 26 61.930 61.930 61.156 0.774 19282 6511 1 9 . 1 1 26 26 THR CB C 26 70.719 70.719 70.459 0.260 19282 6512 1 9 . 1 1 26 26 THR H H 26 9.718 9.718 9.251 0.467 19282 6513 1 9 . 1 1 27 27 TRP N N 27 121.857 121.857 123.892 -2.035 19282 6514 1 9 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.129 -0.512 19282 6515 1 9 . 1 1 27 27 TRP C C 27 177.624 177.624 177.263 0.361 19282 6516 1 9 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.217 0.434 19282 6517 1 9 . 1 1 27 27 TRP CB C 27 30.428 30.428 28.963 1.465 19282 6518 1 9 . 1 1 27 27 TRP H H 27 7.836 7.836 8.586 -0.750 19282 6519 1 9 . 1 1 28 28 GLU N N 28 114.949 114.949 116.475 -1.526 19282 6520 1 9 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.623 0.085 19282 6521 1 9 . 1 1 28 28 GLU C C 28 178.928 178.928 178.822 0.106 19282 6522 1 9 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.419 0.170 19282 6523 1 9 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.139 0.341 19282 6524 1 9 . 1 1 28 28 GLU H H 28 8.827 8.827 8.377 0.450 19282 6525 1 9 . 1 1 29 29 GLU N N 29 118.462 118.462 120.237 -1.775 19282 6526 1 9 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.900 0.026 19282 6527 1 9 . 1 1 29 29 GLU C C 29 179.587 179.587 178.926 0.661 19282 6528 1 9 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.650 -0.081 19282 6529 1 9 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.287 -1.154 19282 6530 1 9 . 1 1 29 29 GLU H H 29 7.259 7.259 7.339 -0.080 19282 6531 1 9 . 1 1 30 30 GLY N N 30 112.186 112.186 107.785 4.401 19282 6532 1 9 . 1 1 30 30 GLY C C 30 173.516 173.516 175.475 -1.959 19282 6533 1 9 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.913 -0.171 19282 6534 1 9 . 1 1 30 30 GLY H H 30 7.871 7.871 8.052 -0.181 19282 6535 1 9 . 1 1 31 31 LEU N N 31 122.216 122.216 122.930 -0.714 19282 6536 1 9 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.780 -0.435 19282 6537 1 9 . 1 1 31 31 LEU C C 31 179.828 179.828 178.516 1.312 19282 6538 1 9 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.603 1.352 19282 6539 1 9 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.043 0.432 19282 6540 1 9 . 1 1 31 31 LEU H H 31 7.610 7.610 7.561 0.049 19282 6541 1 9 . 1 1 32 32 VAL N N 32 118.301 118.301 119.327 -1.026 19282 6542 1 9 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.707 -0.056 19282 6543 1 9 . 1 1 32 32 VAL C C 32 179.041 179.041 178.481 0.560 19282 6544 1 9 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.479 -0.612 19282 6545 1 9 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.280 0.696 19282 6546 1 9 . 1 1 32 32 VAL H H 32 7.571 7.571 7.723 -0.152 19282 6547 1 9 . 1 1 33 33 ASP N N 33 123.085 123.085 120.259 2.826 19282 6548 1 9 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.367 0.010 19282 6549 1 9 . 1 1 33 33 ASP C C 33 179.766 179.766 178.530 1.236 19282 6550 1 9 . 1 1 33 33 ASP CA C 33 58.137 58.137 57.972 0.165 19282 6551 1 9 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.929 2.506 19282 6552 1 9 . 1 1 33 33 ASP H H 33 7.924 7.924 7.952 -0.028 19282 6553 1 9 . 1 1 34 34 CYS N N 34 115.181 115.181 117.374 -2.193 19282 6554 1 9 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.458 0.046 19282 6555 1 9 . 1 1 34 34 CYS C C 34 177.697 177.697 177.178 0.519 19282 6556 1 9 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.527 -5.457 19282 6557 1 9 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.460 7.961 19282 6558 1 9 . 1 1 34 34 CYS H H 34 8.486 8.486 7.998 0.488 19282 6559 1 9 . 1 1 35 35 ASP N N 35 123.300 123.300 121.082 2.218 19282 6560 1 9 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.643 0.111 19282 6561 1 9 . 1 1 35 35 ASP C C 35 180.457 180.457 179.466 0.991 19282 6562 1 9 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.507 0.763 19282 6563 1 9 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.215 1.928 19282 6564 1 9 . 1 1 35 35 ASP H H 35 8.458 8.458 8.172 0.286 19282 6565 1 9 . 1 1 36 36 GLY N N 36 107.140 107.140 108.738 -1.598 19282 6566 1 9 . 1 1 36 36 GLY C C 36 175.345 175.345 175.463 -0.118 19282 6567 1 9 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.869 0.007 19282 6568 1 9 . 1 1 36 36 GLY H H 36 8.281 8.281 8.166 0.115 19282 6569 1 9 . 1 1 37 37 LYS N N 37 119.450 119.450 119.838 -0.388 19282 6570 1 9 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.590 -0.044 19282 6571 1 9 . 1 1 37 37 LYS C C 37 176.415 176.415 176.160 0.255 19282 6572 1 9 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.098 1.732 19282 6573 1 9 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.639 1.115 19282 6574 1 9 . 1 1 37 37 LYS H H 37 7.587 7.587 7.574 0.013 19282 6575 1 9 . 1 1 38 38 GLY N N 38 109.781 109.781 106.876 2.905 19282 6576 1 9 . 1 1 38 38 GLY C C 38 174.144 174.144 173.981 0.163 19282 6577 1 9 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.411 1.380 19282 6578 1 9 . 1 1 38 38 GLY H H 38 8.205 8.205 8.084 0.121 19282 6579 1 9 . 1 1 39 39 ALA N N 39 123.317 123.317 122.071 1.246 19282 6580 1 9 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.057 0.059 19282 6581 1 9 . 1 1 39 39 ALA C C 39 174.817 174.817 175.862 -1.045 19282 6582 1 9 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.459 -0.285 19282 6583 1 9 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.070 3.083 19282 6584 1 9 . 1 1 39 39 ALA H H 39 8.107 8.107 7.671 0.436 19282 6585 1 9 . 1 1 40 40 THR N N 40 108.747 108.747 110.152 -1.405 19282 6586 1 9 . 1 1 40 40 THR HA H 40 5.080 5.080 4.657 0.423 19282 6587 1 9 . 1 1 40 40 THR C C 40 175.723 175.723 173.502 2.221 19282 6588 1 9 . 1 1 40 40 THR CA C 40 60.173 60.173 59.541 0.632 19282 6589 1 9 . 1 1 40 40 THR CB C 40 72.452 72.452 71.477 0.975 19282 6590 1 9 . 1 1 40 40 THR H H 40 8.566 8.566 8.836 -0.270 19282 6591 1 9 . 1 1 41 41 LEU N N 41 123.750 123.750 123.894 -0.144 19282 6592 1 9 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.515 0.539 19282 6593 1 9 . 1 1 41 41 LEU C C 41 177.800 177.800 176.801 0.999 19282 6594 1 9 . 1 1 41 41 LEU CA C 41 56.676 56.676 54.680 1.996 19282 6595 1 9 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.992 1.632 19282 6596 1 9 . 1 1 41 41 LEU H H 41 7.791 7.791 8.585 -0.794 19282 6597 1 9 . 1 1 42 42 MET N N 42 116.452 116.452 127.630 -11.178 19282 6598 1 9 . 1 1 42 42 MET HA H 42 4.098 4.098 4.344 -0.246 19282 6599 1 9 . 1 1 42 42 MET C C 42 174.097 174.097 174.484 -0.387 19282 6600 1 9 . 1 1 42 42 MET CA C 42 57.887 57.887 56.102 1.786 19282 6601 1 9 . 1 1 42 42 MET CB C 42 34.299 34.299 32.158 2.141 19282 6602 1 9 . 1 1 42 42 MET H H 42 7.983 7.983 9.008 -1.025 19282 6603 1 9 . 1 1 43 43 LEU N N 43 128.106 128.106 128.147 -0.041 19282 6604 1 9 . 1 1 43 43 LEU HA H 43 4.517 4.517 4.070 0.447 19282 6605 1 9 . 1 1 43 43 LEU C C 43 174.928 174.928 175.028 -0.100 19282 6606 1 9 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.560 0.973 19282 6607 1 9 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.530 1.298 19282 6608 1 9 . 1 1 43 43 LEU H H 43 8.078 8.078 8.461 -0.383 19282 6609 1 9 . 1 1 44 44 ILE N N 44 118.686 118.686 123.144 -4.458 19282 6610 1 9 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.997 0.205 19282 6611 1 9 . 1 1 44 44 ILE C C 44 175.736 175.736 175.462 0.274 19282 6612 1 9 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.158 -0.107 19282 6613 1 9 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.743 -0.575 19282 6614 1 9 . 1 1 44 44 ILE H H 44 5.273 5.273 7.428 -2.155 19282 6615 1 9 . 1 1 45 45 GLN N N 45 127.754 127.754 127.413 0.341 19282 6616 1 9 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.289 -0.110 19282 6617 1 9 . 1 1 45 45 GLN C C 45 175.402 175.402 175.055 0.347 19282 6618 1 9 . 1 1 45 45 GLN CA C 45 57.103 57.103 56.636 0.467 19282 6619 1 9 . 1 1 45 45 GLN CB C 45 30.833 30.833 31.056 -0.223 19282 6620 1 9 . 1 1 45 45 GLN H H 45 9.722 9.722 9.379 0.343 19282 6621 1 9 . 1 1 46 46 ASP N N 46 114.490 114.490 114.143 0.347 19282 6622 1 9 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.793 -0.149 19282 6623 1 9 . 1 1 46 46 ASP C C 46 175.286 175.286 175.886 -0.600 19282 6624 1 9 . 1 1 46 46 ASP CA C 46 53.256 53.256 52.825 0.431 19282 6625 1 9 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.507 0.245 19282 6626 1 9 . 1 1 46 46 ASP H H 46 7.545 7.545 7.693 -0.148 19282 6627 1 9 . 1 1 47 47 GLN N N 47 118.745 118.745 117.790 0.955 19282 6628 1 9 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.127 -0.124 19282 6629 1 9 . 1 1 47 47 GLN C C 47 177.858 177.858 178.015 -0.157 19282 6630 1 9 . 1 1 47 47 GLN CA C 47 58.995 58.995 59.013 -0.018 19282 6631 1 9 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.805 -0.337 19282 6632 1 9 . 1 1 47 47 GLN H H 47 8.954 8.954 8.584 0.370 19282 6633 1 9 . 1 1 48 48 GLU N N 48 121.721 121.721 119.683 2.038 19282 6634 1 9 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.084 -0.002 19282 6635 1 9 . 1 1 48 48 GLU C C 48 179.073 179.073 178.988 0.085 19282 6636 1 9 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.336 0.614 19282 6637 1 9 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.377 -0.630 19282 6638 1 9 . 1 1 48 48 GLU H H 48 8.532 8.532 8.105 0.427 19282 6639 1 9 . 1 1 49 49 GLU N N 49 120.709 120.709 119.622 1.087 19282 6640 1 9 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.052 -0.276 19282 6641 1 9 . 1 1 49 49 GLU C C 49 177.707 177.707 179.121 -1.414 19282 6642 1 9 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.666 0.163 19282 6643 1 9 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.492 1.135 19282 6644 1 9 . 1 1 49 49 GLU H H 49 8.336 8.336 7.914 0.422 19282 6645 1 9 . 1 1 50 50 LEU N N 50 118.070 118.070 118.846 -0.776 19282 6646 1 9 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.966 -0.029 19282 6647 1 9 . 1 1 50 50 LEU C C 50 177.342 177.342 178.847 -1.505 19282 6648 1 9 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.665 0.610 19282 6649 1 9 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.316 0.389 19282 6650 1 9 . 1 1 50 50 LEU H H 50 7.175 7.175 7.569 -0.394 19282 6651 1 9 . 1 1 51 51 ARG N N 51 117.898 117.898 119.742 -1.844 19282 6652 1 9 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.030 -0.223 19282 6653 1 9 . 1 1 51 51 ARG C C 51 177.876 177.876 178.806 -0.930 19282 6654 1 9 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.496 0.877 19282 6655 1 9 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.509 0.419 19282 6656 1 9 . 1 1 51 51 ARG H H 51 8.135 8.135 8.064 0.071 19282 6657 1 9 . 1 1 52 52 PHE N N 52 118.865 118.865 121.889 -3.024 19282 6658 1 9 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.502 -0.374 19282 6659 1 9 . 1 1 52 52 PHE C C 52 178.379 178.379 177.548 0.831 19282 6660 1 9 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.730 0.550 19282 6661 1 9 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.310 -0.796 19282 6662 1 9 . 1 1 52 52 PHE H H 52 8.003 8.003 8.351 -0.348 19282 6663 1 9 . 1 1 53 53 LEU N N 53 122.451 122.451 122.112 0.339 19282 6664 1 9 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.913 -0.509 19282 6665 1 9 . 1 1 53 53 LEU C C 53 178.870 178.870 179.067 -0.197 19282 6666 1 9 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.689 -0.393 19282 6667 1 9 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.778 0.553 19282 6668 1 9 . 1 1 53 53 LEU H H 53 7.824 7.824 8.124 -0.300 19282 6669 1 9 . 1 1 54 54 LEU N N 54 117.828 117.828 119.695 -1.867 19282 6670 1 9 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.733 0.054 19282 6671 1 9 . 1 1 54 54 LEU C C 54 179.783 179.783 179.310 0.473 19282 6672 1 9 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.367 -0.434 19282 6673 1 9 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.910 0.021 19282 6674 1 9 . 1 1 54 54 LEU H H 54 8.361 8.361 8.636 -0.275 19282 6675 1 9 . 1 1 55 55 ASP N N 55 116.846 116.846 119.339 -2.493 19282 6676 1 9 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.323 0.054 19282 6677 1 9 . 1 1 55 55 ASP C C 55 177.824 177.824 178.165 -0.341 19282 6678 1 9 . 1 1 55 55 ASP CA C 55 56.232 56.232 56.927 -0.695 19282 6679 1 9 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.443 0.390 19282 6680 1 9 . 1 1 55 55 ASP H H 55 7.933 7.933 8.160 -0.227 19282 6681 1 9 . 1 1 56 56 SER N N 56 114.399 114.399 114.378 0.021 19282 6682 1 9 . 1 1 56 56 SER HA H 56 4.122 4.122 4.206 -0.084 19282 6683 1 9 . 1 1 56 56 SER C C 56 174.277 174.277 176.379 -2.102 19282 6684 1 9 . 1 1 56 56 SER CA C 56 60.677 60.677 59.980 0.697 19282 6685 1 9 . 1 1 56 56 SER CB C 56 63.675 63.675 64.369 -0.694 19282 6686 1 9 . 1 1 56 56 SER H H 56 7.441 7.441 7.486 -0.045 19282 6687 1 9 . 1 1 57 57 ILE N N 57 121.159 121.159 122.432 -1.273 19282 6688 1 9 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.631 0.166 19282 6689 1 9 . 1 1 57 57 ILE C C 57 175.873 175.873 177.605 -1.732 19282 6690 1 9 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.862 -1.051 19282 6691 1 9 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.506 1.060 19282 6692 1 9 . 1 1 57 57 ILE H H 57 7.378 7.378 8.245 -0.867 19282 6693 1 9 . 1 1 58 58 LYS N N 58 124.292 124.292 118.300 5.992 19282 6694 1 9 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.812 0.352 19282 6695 1 9 . 1 1 58 58 LYS C C 58 177.266 177.266 176.975 0.291 19282 6696 1 9 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.763 -1.439 19282 6697 1 9 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.279 2.011 19282 6698 1 9 . 1 1 58 58 LYS H H 58 8.218 8.218 8.286 -0.068 19282 6699 1 9 . 1 1 59 59 GLU N N 59 119.807 119.807 119.072 0.735 19282 6700 1 9 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.066 0.285 19282 6701 1 9 . 1 1 59 59 GLU C C 59 176.023 176.023 178.114 -2.091 19282 6702 1 9 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.364 -2.450 19282 6703 1 9 . 1 1 59 59 GLU CB C 59 28.831 28.831 30.039 -1.208 19282 6704 1 9 . 1 1 59 59 GLU H H 59 7.761 7.761 8.149 -0.388 19282 6705 1 9 . 1 1 60 60 LYS N N 60 120.606 120.606 111.850 8.756 19282 6706 1 9 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.932 0.225 19282 6707 1 9 . 1 1 60 60 LYS C C 60 176.229 176.229 176.318 -0.089 19282 6708 1 9 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.622 -1.614 19282 6709 1 9 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.444 1.987 19282 6710 1 9 . 1 1 60 60 LYS H H 60 8.051 8.051 8.715 -0.664 19282 6711 1 9 . 1 1 61 61 TYR N N 61 115.876 115.876 117.820 -1.944 19282 6712 1 9 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.413 0.181 19282 6713 1 9 . 1 1 61 61 TYR C C 61 175.714 175.714 175.336 0.378 19282 6714 1 9 . 1 1 61 61 TYR CA C 61 57.110 57.110 57.989 -0.879 19282 6715 1 9 . 1 1 61 61 TYR CB C 61 37.499 37.499 36.580 0.919 19282 6716 1 9 . 1 1 61 61 TYR H H 61 7.756 7.756 7.333 0.423 19282 6717 1 9 . 1 1 62 62 ASN N N 62 118.634 118.634 117.300 1.334 19282 6718 1 9 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.807 -0.077 19282 6719 1 9 . 1 1 62 62 ASN C C 62 173.016 173.016 172.785 0.231 19282 6720 1 9 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.352 1.302 19282 6721 1 9 . 1 1 62 62 ASN CB C 62 41.378 41.378 42.057 -0.679 19282 6722 1 9 . 1 1 62 62 ASN H H 62 7.477 7.477 7.779 -0.302 19282 6723 1 9 . 1 1 63 63 SER N N 63 115.211 115.211 114.529 0.682 19282 6724 1 9 . 1 1 63 63 SER HA H 63 5.256 5.256 5.123 0.133 19282 6725 1 9 . 1 1 63 63 SER C C 63 172.817 172.817 172.717 0.100 19282 6726 1 9 . 1 1 63 63 SER CA C 63 57.506 57.506 57.587 -0.081 19282 6727 1 9 . 1 1 63 63 SER CB C 63 63.821 63.821 65.866 -2.045 19282 6728 1 9 . 1 1 63 63 SER H H 63 8.107 8.107 7.856 0.251 19282 6729 1 9 . 1 1 64 64 PHE N N 64 118.959 118.959 122.065 -3.106 19282 6730 1 9 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.160 -0.572 19282 6731 1 9 . 1 1 64 64 PHE C C 64 175.495 175.495 175.611 -0.116 19282 6732 1 9 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.996 -0.554 19282 6733 1 9 . 1 1 64 64 PHE CB C 64 42.226 42.226 41.269 0.957 19282 6734 1 9 . 1 1 64 64 PHE H H 64 8.735 8.735 8.797 -0.062 19282 6735 1 9 . 1 1 65 65 TRP N N 65 124.651 124.651 124.935 -0.284 19282 6736 1 9 . 1 1 65 65 TRP HA H 65 5.743 5.743 5.011 0.732 19282 6737 1 9 . 1 1 65 65 TRP C C 65 175.951 175.951 176.840 -0.889 19282 6738 1 9 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.351 -0.273 19282 6739 1 9 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.085 2.591 19282 6740 1 9 . 1 1 65 65 TRP H H 65 10.282 10.282 9.130 1.152 19282 6741 1 9 . 1 1 66 66 ILE N N 66 109.430 109.430 116.273 -6.843 19282 6742 1 9 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.156 0.118 19282 6743 1 9 . 1 1 66 66 ILE C C 66 177.380 177.380 177.396 -0.016 19282 6744 1 9 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.062 1.536 19282 6745 1 9 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.657 1.107 19282 6746 1 9 . 1 1 66 66 ILE H H 66 8.443 8.443 8.764 -0.321 19282 6747 1 9 . 1 1 67 67 GLY N N 67 111.319 111.319 110.057 1.262 19282 6748 1 9 . 1 1 67 67 GLY C C 67 172.897 172.897 173.396 -0.499 19282 6749 1 9 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.978 4.017 19282 6750 1 9 . 1 1 67 67 GLY H H 67 10.395 10.395 9.191 1.204 19282 6751 1 9 . 1 1 68 68 LEU N N 68 127.499 127.499 122.107 5.392 19282 6752 1 9 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.451 0.433 19282 6753 1 9 . 1 1 68 68 LEU C C 68 173.367 173.367 175.213 -1.846 19282 6754 1 9 . 1 1 68 68 LEU CA C 68 54.637 54.637 53.830 0.807 19282 6755 1 9 . 1 1 68 68 LEU CB C 68 46.081 46.081 43.121 2.960 19282 6756 1 9 . 1 1 68 68 LEU H H 68 8.446 8.446 8.412 0.034 19282 6757 1 9 . 1 1 69 69 ARG N N 69 124.432 124.432 121.956 2.476 19282 6758 1 9 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.825 0.085 19282 6759 1 9 . 1 1 69 69 ARG C C 69 173.026 173.026 173.764 -0.738 19282 6760 1 9 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.777 1.701 19282 6761 1 9 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.511 0.833 19282 6762 1 9 . 1 1 69 69 ARG H H 69 8.479 8.479 8.544 -0.065 19282 6763 1 9 . 1 1 70 70 TYR N N 70 128.687 128.687 125.637 3.050 19282 6764 1 9 . 1 1 70 70 TYR HA H 70 3.876 3.876 4.500 -0.624 19282 6765 1 9 . 1 1 70 70 TYR C C 70 175.118 175.118 174.298 0.820 19282 6766 1 9 . 1 1 70 70 TYR CA C 70 57.747 57.747 55.288 2.459 19282 6767 1 9 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.506 -0.275 19282 6768 1 9 . 1 1 70 70 TYR H H 70 7.936 7.936 8.532 -0.596 19282 6769 1 9 . 1 1 71 71 THR N N 71 120.097 120.097 120.761 -0.664 19282 6770 1 9 . 1 1 71 71 THR HA H 71 4.477 4.477 4.330 0.147 19282 6771 1 9 . 1 1 71 71 THR C C 71 172.547 172.547 173.071 -0.524 19282 6772 1 9 . 1 1 71 71 THR CA C 71 60.631 60.631 60.594 0.036 19282 6773 1 9 . 1 1 71 71 THR CB C 71 71.324 71.324 69.511 1.813 19282 6774 1 9 . 1 1 71 71 THR H H 71 7.701 7.701 8.058 -0.357 19282 6775 1 9 . 1 1 72 72 LEU N N 72 125.241 125.241 126.374 -1.133 19282 6776 1 9 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.710 -0.444 19282 6777 1 9 . 1 1 72 72 LEU C C 72 175.916 175.916 175.148 0.768 19282 6778 1 9 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.678 1.196 19282 6779 1 9 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.482 -1.662 19282 6780 1 9 . 1 1 72 72 LEU H H 72 8.487 8.487 8.377 0.110 19282 6781 1 9 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.621 -0.212 19282 6782 1 9 . 1 1 73 73 PRO C C 73 176.278 176.278 175.551 0.727 19282 6783 1 9 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.389 1.160 19282 6784 1 9 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.688 1.448 19282 6785 1 9 . 1 1 74 74 ASP N N 74 123.018 123.018 124.163 -1.145 19282 6786 1 9 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.462 -0.305 19282 6787 1 9 . 1 1 74 74 ASP C C 74 175.592 175.592 176.197 -0.605 19282 6788 1 9 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.608 1.920 19282 6789 1 9 . 1 1 74 74 ASP CB C 74 39.688 39.688 42.469 -2.781 19282 6790 1 9 . 1 1 74 74 ASP H H 74 8.716 8.716 8.075 0.641 19282 6791 1 9 . 1 1 75 75 MET N N 75 113.361 113.361 116.536 -3.175 19282 6792 1 9 . 1 1 75 75 MET HA H 75 3.319 3.319 3.542 -0.223 19282 6793 1 9 . 1 1 75 75 MET C C 75 174.354 174.354 174.119 0.235 19282 6794 1 9 . 1 1 75 75 MET CA C 75 56.042 56.042 56.431 -0.389 19282 6795 1 9 . 1 1 75 75 MET CB C 75 29.181 29.181 29.951 -0.770 19282 6796 1 9 . 1 1 75 75 MET H H 75 8.421 8.421 8.059 0.362 19282 6797 1 9 . 1 1 76 76 ASN N N 76 112.997 112.997 115.396 -2.399 19282 6798 1 9 . 1 1 76 76 ASN HA H 76 4.808 4.808 4.889 -0.081 19282 6799 1 9 . 1 1 76 76 ASN C C 76 173.984 173.984 173.501 0.483 19282 6800 1 9 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.627 -1.344 19282 6801 1 9 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.682 -0.859 19282 6802 1 9 . 1 1 76 76 ASN H H 76 6.883 6.883 7.289 -0.406 19282 6803 1 9 . 1 1 77 77 TRP N N 77 122.857 122.857 122.061 0.796 19282 6804 1 9 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.155 -0.621 19282 6805 1 9 . 1 1 77 77 TRP C C 77 175.329 175.329 175.741 -0.412 19282 6806 1 9 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.582 1.033 19282 6807 1 9 . 1 1 77 77 TRP CB C 77 30.117 30.117 28.612 1.505 19282 6808 1 9 . 1 1 77 77 TRP H H 77 8.766 8.766 9.200 -0.434 19282 6809 1 9 . 1 1 78 78 LYS N N 78 121.731 121.731 121.458 0.273 19282 6810 1 9 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.973 -0.004 19282 6811 1 9 . 1 1 78 78 LYS C C 78 177.225 177.225 176.225 1.000 19282 6812 1 9 . 1 1 78 78 LYS CA C 78 55.149 55.149 55.038 0.111 19282 6813 1 9 . 1 1 78 78 LYS CB C 78 36.697 36.697 35.566 1.131 19282 6814 1 9 . 1 1 78 78 LYS H H 78 8.584 8.584 8.202 0.382 19282 6815 1 9 . 1 1 79 79 TRP N N 79 124.809 124.809 122.305 2.504 19282 6816 1 9 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.726 -0.049 19282 6817 1 9 . 1 1 79 79 TRP C C 79 180.969 180.969 179.437 1.532 19282 6818 1 9 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.581 0.111 19282 6819 1 9 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.155 1.789 19282 6820 1 9 . 1 1 79 79 TRP H H 79 9.045 9.045 8.741 0.304 19282 6821 1 9 . 1 1 80 80 ILE N N 80 114.947 114.947 120.493 -5.546 19282 6822 1 9 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.859 0.496 19282 6823 1 9 . 1 1 80 80 ILE C C 80 175.690 175.690 176.058 -0.368 19282 6824 1 9 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.674 -0.892 19282 6825 1 9 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.510 0.774 19282 6826 1 9 . 1 1 80 80 ILE H H 80 8.493 8.493 8.640 -0.147 19282 6827 1 9 . 1 1 81 81 ASN N N 81 116.185 116.185 117.756 -1.571 19282 6828 1 9 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.698 0.194 19282 6829 1 9 . 1 1 81 81 ASN C C 81 176.344 176.344 176.178 0.166 19282 6830 1 9 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.745 0.042 19282 6831 1 9 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.293 -0.515 19282 6832 1 9 . 1 1 81 81 ASN H H 81 7.370 7.370 8.120 -0.750 19282 6833 1 9 . 1 1 82 82 GLY N N 82 108.864 108.864 108.231 0.633 19282 6834 1 9 . 1 1 82 82 GLY C C 82 174.321 174.321 174.372 -0.051 19282 6835 1 9 . 1 1 82 82 GLY CA C 82 45.306 45.306 44.993 0.313 19282 6836 1 9 . 1 1 82 82 GLY H H 82 8.621 8.621 8.328 0.293 19282 6837 1 9 . 1 1 83 83 SER N N 83 116.447 116.447 116.417 0.030 19282 6838 1 9 . 1 1 83 83 SER HA H 83 4.688 4.688 4.631 0.057 19282 6839 1 9 . 1 1 83 83 SER C C 83 174.042 174.042 174.483 -0.441 19282 6840 1 9 . 1 1 83 83 SER CA C 83 58.822 58.822 59.569 -0.747 19282 6841 1 9 . 1 1 83 83 SER CB C 83 64.512 64.512 64.642 -0.131 19282 6842 1 9 . 1 1 83 83 SER H H 83 7.894 7.894 7.927 -0.033 19282 6843 1 9 . 1 1 84 84 THR N N 84 117.358 117.358 118.618 -1.260 19282 6844 1 9 . 1 1 84 84 THR HA H 84 4.628 4.628 4.717 -0.089 19282 6845 1 9 . 1 1 84 84 THR C C 84 174.906 174.906 174.850 0.056 19282 6846 1 9 . 1 1 84 84 THR CA C 84 62.727 62.727 62.402 0.325 19282 6847 1 9 . 1 1 84 84 THR CB C 84 70.047 70.047 70.401 -0.354 19282 6848 1 9 . 1 1 84 84 THR H H 84 8.710 8.710 8.188 0.522 19282 6849 1 9 . 1 1 85 85 LEU N N 85 125.457 125.457 128.746 -3.289 19282 6850 1 9 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.717 -0.298 19282 6851 1 9 . 1 1 85 85 LEU C C 85 175.973 175.973 175.790 0.183 19282 6852 1 9 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.510 0.658 19282 6853 1 9 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.743 0.717 19282 6854 1 9 . 1 1 85 85 LEU H H 85 8.244 8.244 8.306 -0.062 19282 6855 1 9 . 1 1 86 86 ASN N N 86 126.729 126.729 125.347 1.382 19282 6856 1 9 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.877 0.185 19282 6857 1 9 . 1 1 86 86 ASN C C 86 176.112 176.112 175.698 0.414 19282 6858 1 9 . 1 1 86 86 ASN CA C 86 52.243 52.243 51.761 0.482 19282 6859 1 9 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.102 0.529 19282 6860 1 9 . 1 1 86 86 ASN H H 86 9.042 9.042 9.134 -0.092 19282 6861 1 9 . 1 1 87 87 SER N N 87 120.386 120.386 119.437 0.949 19282 6862 1 9 . 1 1 87 87 SER HA H 87 4.606 4.606 4.265 0.341 19282 6863 1 9 . 1 1 87 87 SER C C 87 174.673 174.673 175.107 -0.434 19282 6864 1 9 . 1 1 87 87 SER CA C 87 59.908 59.908 60.003 -0.095 19282 6865 1 9 . 1 1 87 87 SER CB C 87 63.602 63.602 63.166 0.436 19282 6866 1 9 . 1 1 87 87 SER H H 87 8.724 8.724 8.022 0.702 19282 6867 1 9 . 1 1 88 88 ASP N N 88 120.189 120.189 121.192 -1.003 19282 6868 1 9 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.552 0.025 19282 6869 1 9 . 1 1 88 88 ASP C C 88 177.211 177.211 177.418 -0.207 19282 6870 1 9 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.239 -0.252 19282 6871 1 9 . 1 1 88 88 ASP CB C 88 40.640 40.640 41.059 -0.420 19282 6872 1 9 . 1 1 88 88 ASP H H 88 8.464 8.464 7.807 0.657 19282 6873 1 9 . 1 1 89 89 VAL N N 89 118.259 118.259 115.019 3.240 19282 6874 1 9 . 1 1 89 89 VAL HA H 89 3.987 3.987 3.924 0.063 19282 6875 1 9 . 1 1 89 89 VAL C C 89 175.071 175.071 175.551 -0.480 19282 6876 1 9 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.509 -0.075 19282 6877 1 9 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.563 0.400 19282 6878 1 9 . 1 1 89 89 VAL H H 89 7.783 7.783 7.491 0.292 19282 6879 1 9 . 1 1 90 90 LEU N N 90 118.198 118.198 116.066 2.132 19282 6880 1 9 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.617 -0.137 19282 6881 1 9 . 1 1 90 90 LEU C C 90 173.881 173.881 174.847 -0.966 19282 6882 1 9 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.868 1.498 19282 6883 1 9 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.876 -1.610 19282 6884 1 9 . 1 1 90 90 LEU H H 90 7.537 7.537 7.375 0.162 19282 6885 1 9 . 1 1 91 91 LYS N N 91 122.032 122.032 120.543 1.489 19282 6886 1 9 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.353 0.080 19282 6887 1 9 . 1 1 91 91 LYS C C 91 175.565 175.565 175.327 0.238 19282 6888 1 9 . 1 1 91 91 LYS CA C 91 55.175 55.175 56.309 -1.134 19282 6889 1 9 . 1 1 91 91 LYS CB C 91 33.177 33.177 32.627 0.550 19282 6890 1 9 . 1 1 91 91 LYS H H 91 8.121 8.121 8.311 -0.190 19282 6891 1 9 . 1 1 92 92 ILE N N 92 123.168 123.168 121.269 1.899 19282 6892 1 9 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.266 0.001 19282 6893 1 9 . 1 1 92 92 ILE C C 92 176.136 176.136 174.644 1.492 19282 6894 1 9 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.675 0.523 19282 6895 1 9 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.386 -3.358 19282 6896 1 9 . 1 1 92 92 ILE H H 92 8.086 8.086 8.172 -0.086 19282 6897 1 9 . 1 1 93 93 THR N N 93 119.647 119.647 116.094 3.553 19282 6898 1 9 . 1 1 93 93 THR HA H 93 4.487 4.487 4.821 -0.334 19282 6899 1 9 . 1 1 93 93 THR C C 93 173.748 173.748 175.509 -1.761 19282 6900 1 9 . 1 1 93 93 THR CA C 93 61.605 61.605 61.720 -0.115 19282 6901 1 9 . 1 1 93 93 THR CB C 93 70.404 70.404 70.100 0.304 19282 6902 1 9 . 1 1 93 93 THR H H 93 8.238 8.238 8.055 0.183 19282 6903 1 9 . 1 1 94 94 GLY N N 94 111.397 111.397 110.252 1.145 19282 6904 1 9 . 1 1 94 94 GLY C C 94 172.757 172.757 173.447 -0.690 19282 6905 1 9 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.748 -1.034 19282 6906 1 9 . 1 1 94 94 GLY H H 94 8.133 8.133 9.022 -0.889 19282 6907 1 9 . 1 1 95 95 ASP N N 95 119.905 119.905 119.623 0.282 19282 6908 1 9 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.960 -0.217 19282 6909 1 9 . 1 1 95 95 ASP C C 95 175.600 175.600 175.178 0.422 19282 6910 1 9 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.495 0.688 19282 6911 1 9 . 1 1 95 95 ASP CB C 95 41.877 41.877 41.429 0.448 19282 6912 1 9 . 1 1 95 95 ASP H H 95 8.285 8.285 8.389 -0.104 19282 6913 1 9 . 1 1 96 96 THR N N 96 115.409 115.409 116.535 -1.126 19282 6914 1 9 . 1 1 96 96 THR HA H 96 4.136 4.136 4.526 -0.390 19282 6915 1 9 . 1 1 96 96 THR C C 96 173.508 173.508 174.940 -1.432 19282 6916 1 9 . 1 1 96 96 THR CA C 96 61.369 61.369 61.689 -0.320 19282 6917 1 9 . 1 1 96 96 THR CB C 96 69.775 69.775 70.618 -0.843 19282 6918 1 9 . 1 1 96 96 THR H H 96 7.936 7.936 8.023 -0.087 19282 6919 1 9 . 1 1 97 97 GLU N N 97 123.162 123.162 118.647 4.515 19282 6920 1 9 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.156 0.068 19282 6921 1 9 . 1 1 97 97 GLU C C 97 175.455 175.455 175.339 0.116 19282 6922 1 9 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.917 -1.755 19282 6923 1 9 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.646 3.042 19282 6924 1 9 . 1 1 97 97 GLU H H 97 8.186 8.186 8.279 -0.093 19282 6925 1 9 . 1 1 98 98 ASN N N 98 117.342 117.342 116.644 0.698 19282 6926 1 9 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.891 -0.370 19282 6927 1 9 . 1 1 98 98 ASN C C 98 174.251 174.251 174.000 0.251 19282 6928 1 9 . 1 1 98 98 ASN CA C 98 53.449 53.449 51.472 1.977 19282 6929 1 9 . 1 1 98 98 ASN CB C 98 40.229 40.229 39.501 0.728 19282 6930 1 9 . 1 1 98 98 ASN H H 98 7.997 7.997 8.051 -0.054 19282 6931 1 9 . 1 1 99 99 ASP N N 99 120.235 120.235 119.883 0.352 19282 6932 1 9 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.658 -0.065 19282 6933 1 9 . 1 1 99 99 ASP C C 99 176.261 176.261 175.593 0.668 19282 6934 1 9 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.127 2.010 19282 6935 1 9 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.998 -0.603 19282 6936 1 9 . 1 1 99 99 ASP H H 99 8.365 8.365 8.577 -0.212 19282 6937 1 9 . 1 1 100 100 SER N N 100 116.248 116.248 115.039 1.209 19282 6938 1 9 . 1 1 100 100 SER HA H 100 4.990 4.990 4.533 0.457 19282 6939 1 9 . 1 1 100 100 SER C C 100 172.411 172.411 174.114 -1.703 19282 6940 1 9 . 1 1 100 100 SER CA C 100 59.212 59.212 59.052 0.160 19282 6941 1 9 . 1 1 100 100 SER CB C 100 66.127 66.127 63.507 2.620 19282 6942 1 9 . 1 1 100 100 SER H H 100 7.862 7.862 7.625 0.237 19282 6943 1 9 . 1 1 101 101 CYS N N 101 121.559 121.559 121.359 0.200 19282 6944 1 9 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.138 -0.082 19282 6945 1 9 . 1 1 101 101 CYS C C 101 172.356 172.356 173.906 -1.550 19282 6946 1 9 . 1 1 101 101 CYS CA C 101 59.446 59.446 58.087 1.359 19282 6947 1 9 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.245 15.386 19282 6948 1 9 . 1 1 101 101 CYS H H 101 9.231 9.231 8.974 0.257 19282 6949 1 9 . 1 1 102 102 ALA N N 102 124.390 124.390 124.389 0.001 19282 6950 1 9 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.576 -0.196 19282 6951 1 9 . 1 1 102 102 ALA C C 102 175.442 175.442 175.558 -0.116 19282 6952 1 9 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.223 1.404 19282 6953 1 9 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.996 -0.025 19282 6954 1 9 . 1 1 102 102 ALA H H 102 8.393 8.393 8.703 -0.310 19282 6955 1 9 . 1 1 103 103 ALA N N 103 120.824 120.824 122.374 -1.550 19282 6956 1 9 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.429 0.062 19282 6957 1 9 . 1 1 103 103 ALA C C 103 176.664 176.664 175.506 1.158 19282 6958 1 9 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.245 0.138 19282 6959 1 9 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.689 0.323 19282 6960 1 9 . 1 1 103 103 ALA H H 103 8.859 8.859 9.245 -0.386 19282 6961 1 9 . 1 1 104 104 ILE N N 104 119.488 119.488 121.540 -2.052 19282 6962 1 9 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.535 0.083 19282 6963 1 9 . 1 1 104 104 ILE C C 104 175.968 175.968 175.412 0.556 19282 6964 1 9 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.651 0.470 19282 6965 1 9 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.275 3.018 19282 6966 1 9 . 1 1 104 104 ILE H H 104 9.301 9.301 8.787 0.514 19282 6967 1 9 . 1 1 105 105 SER N N 105 121.988 121.988 122.883 -0.895 19282 6968 1 9 . 1 1 105 105 SER HA H 105 4.793 4.793 5.383 -0.590 19282 6969 1 9 . 1 1 105 105 SER C C 105 175.288 175.288 174.364 0.924 19282 6970 1 9 . 1 1 105 105 SER CA C 105 56.729 56.729 56.618 0.111 19282 6971 1 9 . 1 1 105 105 SER CB C 105 64.136 64.136 64.015 0.121 19282 6972 1 9 . 1 1 105 105 SER H H 105 8.747 8.747 8.115 0.632 19282 6973 1 9 . 1 1 106 106 GLY N N 106 117.934 117.934 117.167 0.767 19282 6974 1 9 . 1 1 106 106 GLY C C 106 173.274 173.274 173.167 0.107 19282 6975 1 9 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.305 2.556 19282 6976 1 9 . 1 1 106 106 GLY H H 106 9.283 9.283 8.563 0.720 19282 6977 1 9 . 1 1 107 107 ASP N N 107 122.936 122.936 124.310 -1.374 19282 6978 1 9 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.802 -0.169 19282 6979 1 9 . 1 1 107 107 ASP C C 107 174.997 174.997 175.740 -0.743 19282 6980 1 9 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.101 -0.599 19282 6981 1 9 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.044 -0.116 19282 6982 1 9 . 1 1 107 107 ASP H H 107 8.420 8.420 8.455 -0.035 19282 6983 1 9 . 1 1 108 108 LYS N N 108 116.770 116.770 118.444 -1.674 19282 6984 1 9 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.841 -0.117 19282 6985 1 9 . 1 1 108 108 LYS C C 108 173.949 173.949 174.866 -0.917 19282 6986 1 9 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.858 0.885 19282 6987 1 9 . 1 1 108 108 LYS CB C 108 35.423 35.423 36.167 -0.744 19282 6988 1 9 . 1 1 108 108 LYS H H 108 7.764 7.764 7.310 0.454 19282 6989 1 9 . 1 1 109 109 VAL N N 109 120.190 120.190 119.881 0.309 19282 6990 1 9 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.679 0.052 19282 6991 1 9 . 1 1 109 109 VAL C C 109 175.297 175.297 175.913 -0.616 19282 6992 1 9 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.428 0.581 19282 6993 1 9 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.689 -0.693 19282 6994 1 9 . 1 1 109 109 VAL H H 109 8.315 8.315 8.492 -0.177 19282 6995 1 9 . 1 1 110 110 THR N N 110 121.358 121.358 117.418 3.940 19282 6996 1 9 . 1 1 110 110 THR HA H 110 4.765 4.765 4.663 0.102 19282 6997 1 9 . 1 1 110 110 THR C C 110 172.026 172.026 172.944 -0.918 19282 6998 1 9 . 1 1 110 110 THR CA C 110 59.150 59.150 59.799 -0.649 19282 6999 1 9 . 1 1 110 110 THR CB C 110 71.063 71.063 71.468 -0.405 19282 7000 1 9 . 1 1 110 110 THR H H 110 9.253 9.253 9.108 0.145 19282 7001 1 9 . 1 1 111 111 PHE N N 111 116.390 116.390 114.888 1.502 19282 7002 1 9 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.580 0.023 19282 7003 1 9 . 1 1 111 111 PHE C C 111 174.645 174.645 173.553 1.092 19282 7004 1 9 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.368 -0.406 19282 7005 1 9 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.864 -0.888 19282 7006 1 9 . 1 1 111 111 PHE H H 111 7.934 7.934 8.182 -0.248 19282 7007 1 9 . 1 1 112 112 GLU N N 112 119.577 119.577 117.252 2.325 19282 7008 1 9 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.789 0.131 19282 7009 1 9 . 1 1 112 112 GLU C C 112 175.303 175.303 174.598 0.705 19282 7010 1 9 . 1 1 112 112 GLU CA C 112 54.687 54.687 55.096 -0.409 19282 7011 1 9 . 1 1 112 112 GLU CB C 112 34.154 34.154 31.230 2.924 19282 7012 1 9 . 1 1 112 112 GLU H H 112 9.266 9.266 9.509 -0.243 19282 7013 1 9 . 1 1 113 113 SER N N 113 114.911 114.911 115.649 -0.738 19282 7014 1 9 . 1 1 113 113 SER HA H 113 4.706 4.706 4.582 0.124 19282 7015 1 9 . 1 1 113 113 SER C C 113 178.063 178.063 176.096 1.967 19282 7016 1 9 . 1 1 113 113 SER CA C 113 59.218 59.218 58.710 0.508 19282 7017 1 9 . 1 1 113 113 SER CB C 113 63.646 63.646 63.444 0.202 19282 7018 1 9 . 1 1 113 113 SER H H 113 8.880 8.880 8.690 0.190 19282 7019 1 9 . 1 1 114 114 CYS N N 114 125.039 125.039 121.940 3.099 19282 7020 1 9 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.868 0.403 19282 7021 1 9 . 1 1 114 114 CYS C C 114 174.382 174.382 175.655 -1.273 19282 7022 1 9 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.003 -0.351 19282 7023 1 9 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.882 19.742 19282 7024 1 9 . 1 1 114 114 CYS H H 114 9.143 9.143 8.990 0.153 19282 7025 1 9 . 1 1 115 115 ASN N N 115 116.644 116.644 115.287 1.357 19282 7026 1 9 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.660 0.416 19282 7027 1 9 . 1 1 115 115 ASN C C 115 175.268 175.268 175.035 0.233 19282 7028 1 9 . 1 1 115 115 ASN CA C 115 53.105 53.105 52.878 0.227 19282 7029 1 9 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.196 -0.111 19282 7030 1 9 . 1 1 115 115 ASN H H 115 8.251 8.251 8.291 -0.040 19282 7031 1 9 . 1 1 116 116 SER N N 116 117.296 117.296 116.736 0.560 19282 7032 1 9 . 1 1 116 116 SER HA H 116 4.509 4.509 4.584 -0.075 19282 7033 1 9 . 1 1 116 116 SER C C 116 170.342 170.342 174.089 -3.747 19282 7034 1 9 . 1 1 116 116 SER CA C 116 59.592 59.592 57.972 1.620 19282 7035 1 9 . 1 1 116 116 SER CB C 116 63.948 63.948 65.145 -1.197 19282 7036 1 9 . 1 1 116 116 SER H H 116 7.988 7.988 8.007 -0.019 19282 7037 1 9 . 1 1 117 117 ASP N N 117 119.393 119.393 123.017 -3.624 19282 7038 1 9 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.182 -0.349 19282 7039 1 9 . 1 1 117 117 ASP C C 117 174.981 174.981 175.525 -0.544 19282 7040 1 9 . 1 1 117 117 ASP CA C 117 53.331 53.331 53.816 -0.485 19282 7041 1 9 . 1 1 117 117 ASP CB C 117 41.632 41.632 41.148 0.484 19282 7042 1 9 . 1 1 117 117 ASP H H 117 8.027 8.027 8.665 -0.638 19282 7043 1 9 . 1 1 118 118 ASN N N 118 121.127 121.127 123.531 -2.404 19282 7044 1 9 . 1 1 118 118 ASN HA H 118 4.940 4.940 5.002 -0.062 19282 7045 1 9 . 1 1 118 118 ASN C C 118 176.169 176.169 174.499 1.670 19282 7046 1 9 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.637 -0.563 19282 7047 1 9 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.876 -1.644 19282 7048 1 9 . 1 1 118 118 ASN H H 118 8.634 8.634 9.231 -0.597 19282 7049 1 9 . 1 1 119 119 ARG N N 119 118.108 118.108 119.327 -1.219 19282 7050 1 9 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.694 -1.203 19282 7051 1 9 . 1 1 119 119 ARG C C 119 174.125 174.125 176.312 -2.187 19282 7052 1 9 . 1 1 119 119 ARG CA C 119 56.668 56.668 56.674 -0.006 19282 7053 1 9 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.095 0.248 19282 7054 1 9 . 1 1 119 119 ARG H H 119 6.943 6.943 8.093 -1.150 19282 7055 1 9 . 1 1 120 120 TRP N N 120 113.700 113.700 116.068 -2.368 19282 7056 1 9 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.509 0.216 19282 7057 1 9 . 1 1 120 120 TRP C C 120 173.109 173.109 173.779 -0.670 19282 7058 1 9 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.473 1.175 19282 7059 1 9 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.321 0.750 19282 7060 1 9 . 1 1 120 120 TRP H H 120 8.511 8.511 8.139 0.372 19282 7061 1 9 . 1 1 121 121 ILE N N 121 117.255 117.255 120.141 -2.886 19282 7062 1 9 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.962 0.376 19282 7063 1 9 . 1 1 121 121 ILE C C 121 176.617 176.617 175.395 1.222 19282 7064 1 9 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.607 -0.177 19282 7065 1 9 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.434 0.974 19282 7066 1 9 . 1 1 121 121 ILE H H 121 7.551 7.551 8.862 -1.311 19282 7067 1 9 . 1 1 122 122 CYS N N 122 122.116 122.116 126.852 -4.736 19282 7068 1 9 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.563 0.441 19282 7069 1 9 . 1 1 122 122 CYS C C 122 174.897 174.897 174.268 0.629 19282 7070 1 9 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.623 -6.047 19282 7071 1 9 . 1 1 122 122 CYS CB C 122 39.418 39.418 29.370 10.048 19282 7072 1 9 . 1 1 122 122 CYS H H 122 9.449 9.449 9.389 0.060 19282 7073 1 9 . 1 1 123 123 GLN N N 123 118.635 118.635 120.082 -1.447 19282 7074 1 9 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.071 0.156 19282 7075 1 9 . 1 1 123 123 GLN C C 123 174.014 174.014 174.300 -0.286 19282 7076 1 9 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.124 -0.295 19282 7077 1 9 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.141 1.831 19282 7078 1 9 . 1 1 123 123 GLN H H 123 10.073 10.073 9.648 0.425 19282 7079 1 9 . 1 1 124 124 LYS N N 124 121.677 121.677 121.391 0.286 19282 7080 1 9 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.530 0.309 19282 7081 1 9 . 1 1 124 124 LYS C C 124 174.809 174.809 175.257 -0.448 19282 7082 1 9 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.423 0.980 19282 7083 1 9 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.217 2.360 19282 7084 1 9 . 1 1 124 124 LYS H H 124 9.115 9.115 9.002 0.113 19282 7085 1 9 . 1 1 125 125 GLU N N 125 122.487 122.487 127.646 -5.159 19282 7086 1 9 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.290 0.284 19282 7087 1 9 . 1 1 125 125 GLU C C 125 176.057 176.057 175.467 0.590 19282 7088 1 9 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.084 -1.063 19282 7089 1 9 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.545 1.607 19282 7090 1 9 . 1 1 125 125 GLU H H 125 8.695 8.695 8.844 -0.149 19282 7091 1 9 . 1 1 126 126 LEU N N 126 123.898 123.898 128.165 -4.267 19282 7092 1 9 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.382 -0.243 19282 7093 1 9 . 1 1 126 126 LEU C C 126 176.479 176.479 176.829 -0.350 19282 7094 1 9 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.274 0.309 19282 7095 1 9 . 1 1 126 126 LEU CB C 126 42.625 42.625 43.000 -0.375 19282 7096 1 9 . 1 1 126 126 LEU H H 126 8.332 8.332 8.552 -0.220 19282 7097 1 9 . 1 1 127 127 TYR N N 127 118.052 118.052 114.555 3.497 19282 7098 1 9 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.623 -0.094 19282 7099 1 9 . 1 1 127 127 TYR C C 127 175.072 175.072 173.869 1.203 19282 7100 1 9 . 1 1 127 127 TYR CA C 127 57.486 57.486 56.946 0.540 19282 7101 1 9 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.964 -4.095 19282 7102 1 9 . 1 1 127 127 TYR H H 127 8.028 8.028 7.758 0.270 19282 7103 1 9 . 1 1 128 128 HIS N N 128 120.723 120.723 113.446 7.277 19282 7104 1 9 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.872 -0.288 19282 7105 1 9 . 1 1 128 128 HIS C C 128 174.487 174.487 173.729 0.758 19282 7106 1 9 . 1 1 128 128 HIS CA C 128 55.688 55.688 55.354 0.334 19282 7107 1 9 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.188 -1.673 19282 7108 1 9 . 1 1 128 128 HIS H H 128 8.014 8.014 8.368 -0.354 19282 7109 1 9 . 1 1 129 129 GLU N N 129 122.855 122.855 118.446 4.409 19282 7110 1 9 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.617 -0.333 19282 7111 1 9 . 1 1 129 129 GLU C C 129 176.492 176.492 175.084 1.408 19282 7112 1 9 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.855 1.962 19282 7113 1 9 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.126 -2.654 19282 7114 1 9 . 1 1 129 129 GLU H H 129 8.424 8.424 8.815 -0.391 19282 7115 1 9 . 1 1 130 130 THR N N 130 116.228 116.228 117.036 -0.808 19282 7116 1 9 . 1 1 130 130 THR HA H 130 4.339 4.339 4.732 -0.393 19282 7117 1 9 . 1 1 130 130 THR C C 130 174.589 174.589 173.441 1.148 19282 7118 1 9 . 1 1 130 130 THR CA C 130 62.205 62.205 62.168 0.037 19282 7119 1 9 . 1 1 130 130 THR CB C 130 69.939 69.939 68.767 1.172 19282 7120 1 9 . 1 1 130 130 THR H H 130 8.311 8.311 8.470 -0.159 19282 7121 1 9 . 1 1 131 131 LEU N N 131 124.856 124.856 127.634 -2.778 19282 7122 1 9 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.766 -0.356 19282 7123 1 9 . 1 1 131 131 LEU C C 131 177.438 177.438 175.961 1.477 19282 7124 1 9 . 1 1 131 131 LEU CA C 131 55.362 55.362 54.591 0.771 19282 7125 1 9 . 1 1 131 131 LEU CB C 131 42.356 42.356 45.629 -3.273 19282 7126 1 9 . 1 1 131 131 LEU H H 131 8.294 8.294 8.370 -0.076 19282 7127 1 9 . 1 1 132 132 SER N N 132 116.127 116.127 114.682 1.445 19282 7128 1 9 . 1 1 132 132 SER HA H 132 4.397 4.397 4.164 0.233 19282 7129 1 9 . 1 1 132 132 SER C C 132 174.250 174.250 173.133 1.117 19282 7130 1 9 . 1 1 132 132 SER CA C 132 58.571 58.571 59.841 -1.270 19282 7131 1 9 . 1 1 132 132 SER CB C 132 63.862 63.862 62.958 0.904 19282 7132 1 9 . 1 1 132 132 SER H H 132 8.255 8.255 8.649 -0.394 19282 7133 1 9 . 1 1 133 133 ASN N N 133 120.181 120.181 117.558 2.623 19282 7134 1 9 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.978 -0.286 19282 7135 1 9 . 1 1 133 133 ASN C C 133 174.658 174.658 173.687 0.971 19282 7136 1 9 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.511 -0.172 19282 7137 1 9 . 1 1 133 133 ASN CB C 133 38.838 38.838 42.095 -3.257 19282 7138 1 9 . 1 1 133 133 ASN H H 133 8.293 8.293 8.868 -0.575 19282 7139 1 9 . 1 1 134 134 TYR N N 134 120.605 120.605 113.129 7.476 19282 7140 1 9 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.721 -0.148 19282 7141 1 9 . 1 1 134 134 TYR C C 134 175.726 175.726 174.736 0.990 19282 7142 1 9 . 1 1 134 134 TYR CA C 134 58.149 58.149 56.541 1.608 19282 7143 1 9 . 1 1 134 134 TYR CB C 134 38.845 38.845 39.131 -0.286 19282 7144 1 9 . 1 1 134 134 TYR H H 134 8.067 8.067 7.589 0.478 19282 7145 1 9 . 1 1 135 135 VAL N N 135 122.466 122.466 120.415 2.051 19282 7146 1 9 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.494 0.553 19282 7147 1 9 . 1 1 135 135 VAL C C 135 176.130 176.130 177.865 -1.735 19282 7148 1 9 . 1 1 135 135 VAL CA C 135 62.546 62.546 64.667 -2.121 19282 7149 1 9 . 1 1 135 135 VAL CB C 135 32.778 32.778 30.835 1.943 19282 7150 1 9 . 1 1 135 135 VAL H H 135 7.952 7.952 8.625 -0.673 19282 7151 1 9 . 1 1 136 136 GLY N N 136 111.336 111.336 105.864 5.472 19282 7152 1 9 . 1 1 136 136 GLY C C 136 173.652 173.652 174.221 -0.569 19282 7153 1 9 . 1 1 136 136 GLY CA C 136 45.218 45.218 46.443 -1.225 19282 7154 1 9 . 1 1 136 136 GLY H H 136 7.915 7.915 7.800 0.115 19282 7155 1 9 . 1 1 137 137 TYR N N 137 119.801 119.801 117.312 2.489 19282 7156 1 9 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.092 0.472 19282 7157 1 9 . 1 1 137 137 TYR C C 137 176.375 176.375 176.385 -0.010 19282 7158 1 9 . 1 1 137 137 TYR CA C 137 58.168 58.168 58.958 -0.790 19282 7159 1 9 . 1 1 137 137 TYR CB C 137 38.925 38.925 36.960 1.965 19282 7160 1 9 . 1 1 137 137 TYR H H 137 7.994 7.994 7.931 0.063 19282 7161 1 9 . 1 1 138 138 GLY N N 138 110.979 110.979 108.905 2.074 19282 7162 1 9 . 1 1 138 138 GLY C C 138 173.159 173.159 173.237 -0.078 19282 7163 1 9 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.285 0.090 19282 7164 1 9 . 1 1 138 138 GLY H H 138 8.345 8.345 8.323 0.022 19282 7165 1 10 . 1 1 2 2 ALA HA H 2 4.384 4.384 4.238 0.146 19282 7166 1 10 . 1 1 2 2 ALA C C 2 177.184 177.184 175.563 1.621 19282 7167 1 10 . 1 1 2 2 ALA CA C 2 52.459 52.459 51.566 0.892 19282 7168 1 10 . 1 1 2 2 ALA CB C 2 19.488 19.488 17.693 1.795 19282 7169 1 10 . 1 1 3 3 LYS N N 3 120.996 120.996 121.782 -0.786 19282 7170 1 10 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.449 -0.130 19282 7171 1 10 . 1 1 3 3 LYS C C 3 176.038 176.038 174.052 1.986 19282 7172 1 10 . 1 1 3 3 LYS CA C 3 56.188 56.188 56.697 -0.509 19282 7173 1 10 . 1 1 3 3 LYS CB C 3 33.261 33.261 34.263 -1.002 19282 7174 1 10 . 1 1 3 3 LYS H H 3 8.272 8.272 7.900 0.372 19282 7175 1 10 . 1 1 4 4 LEU N N 4 124.847 124.847 122.134 2.713 19282 7176 1 10 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.653 -0.257 19282 7177 1 10 . 1 1 4 4 LEU C C 4 175.745 175.745 175.553 0.192 19282 7178 1 10 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.384 1.408 19282 7179 1 10 . 1 1 4 4 LEU CB C 4 42.683 42.683 45.557 -2.874 19282 7180 1 10 . 1 1 4 4 LEU H H 4 8.247 8.247 8.336 -0.089 19282 7181 1 10 . 1 1 5 5 GLU N N 5 120.599 120.599 119.155 1.444 19282 7182 1 10 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.569 -0.050 19282 7183 1 10 . 1 1 5 5 GLU C C 5 176.076 176.076 175.878 0.198 19282 7184 1 10 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.385 -0.388 19282 7185 1 10 . 1 1 5 5 GLU CB C 5 32.353 32.353 30.653 1.700 19282 7186 1 10 . 1 1 5 5 GLU H H 5 8.093 8.093 8.355 -0.262 19282 7187 1 10 . 1 1 6 6 CYS N N 6 120.079 120.079 119.473 0.606 19282 7188 1 10 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.769 -0.033 19282 7189 1 10 . 1 1 6 6 CYS C C 6 172.237 172.237 172.574 -0.337 19282 7190 1 10 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.610 -2.392 19282 7191 1 10 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.535 9.910 19282 7192 1 10 . 1 1 6 6 CYS H H 6 8.750 8.750 8.363 0.387 19282 7193 1 10 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.393 -0.044 19282 7194 1 10 . 1 1 7 7 PRO C C 7 176.014 176.014 177.825 -1.811 19282 7195 1 10 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.925 -0.453 19282 7196 1 10 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.187 -0.986 19282 7197 1 10 . 1 1 8 8 GLN N N 8 120.940 120.940 119.761 1.179 19282 7198 1 10 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.052 0.056 19282 7199 1 10 . 1 1 8 8 GLN C C 8 176.701 176.701 176.110 0.591 19282 7200 1 10 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.406 -0.320 19282 7201 1 10 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.573 0.270 19282 7202 1 10 . 1 1 8 8 GLN H H 8 8.443 8.443 8.747 -0.304 19282 7203 1 10 . 1 1 9 9 ASP N N 9 116.982 116.982 118.239 -1.257 19282 7204 1 10 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.752 -0.236 19282 7205 1 10 . 1 1 9 9 ASP C C 9 176.201 176.201 175.686 0.515 19282 7206 1 10 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.581 2.032 19282 7207 1 10 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.799 -1.387 19282 7208 1 10 . 1 1 9 9 ASP H H 9 9.023 9.023 8.367 0.656 19282 7209 1 10 . 1 1 10 10 TRP N N 10 121.568 121.568 117.723 3.845 19282 7210 1 10 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.085 -0.022 19282 7211 1 10 . 1 1 10 10 TRP C C 10 175.997 175.997 176.237 -0.240 19282 7212 1 10 . 1 1 10 10 TRP CA C 10 57.664 57.664 55.667 1.997 19282 7213 1 10 . 1 1 10 10 TRP CB C 10 29.075 29.075 31.086 -2.011 19282 7214 1 10 . 1 1 10 10 TRP H H 10 8.440 8.440 7.730 0.710 19282 7215 1 10 . 1 1 11 11 LEU N N 11 123.195 123.195 123.608 -0.413 19282 7216 1 10 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.786 -0.022 19282 7217 1 10 . 1 1 11 11 LEU C C 11 176.837 176.837 176.753 0.084 19282 7218 1 10 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.600 1.007 19282 7219 1 10 . 1 1 11 11 LEU CB C 11 44.386 44.386 41.155 3.231 19282 7220 1 10 . 1 1 11 11 LEU H H 11 9.613 9.613 9.228 0.385 19282 7221 1 10 . 1 1 12 12 SER N N 12 116.705 116.705 121.237 -4.532 19282 7222 1 10 . 1 1 12 12 SER HA H 12 5.389 5.389 4.536 0.853 19282 7223 1 10 . 1 1 12 12 SER C C 12 174.164 174.164 173.677 0.487 19282 7224 1 10 . 1 1 12 12 SER CA C 12 57.066 57.066 58.200 -1.134 19282 7225 1 10 . 1 1 12 12 SER CB C 12 65.488 65.488 63.642 1.846 19282 7226 1 10 . 1 1 12 12 SER H H 12 8.733 8.733 8.910 -0.177 19282 7227 1 10 . 1 1 13 13 HIS N N 13 123.615 123.615 127.930 -4.315 19282 7228 1 10 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.408 -0.103 19282 7229 1 10 . 1 1 13 13 HIS C C 13 173.536 173.536 173.945 -0.409 19282 7230 1 10 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.807 1.470 19282 7231 1 10 . 1 1 13 13 HIS CB C 13 31.952 31.952 30.992 0.960 19282 7232 1 10 . 1 1 13 13 HIS H H 13 8.303 8.303 8.918 -0.615 19282 7233 1 10 . 1 1 14 14 ARG N N 14 125.609 125.609 124.668 0.941 19282 7234 1 10 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.737 -0.215 19282 7235 1 10 . 1 1 14 14 ARG C C 14 175.434 175.434 175.205 0.229 19282 7236 1 10 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.465 -0.051 19282 7237 1 10 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.492 -0.710 19282 7238 1 10 . 1 1 14 14 ARG H H 14 8.858 8.858 8.557 0.301 19282 7239 1 10 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.714 0.049 19282 7240 1 10 . 1 1 15 15 ASP C C 15 174.250 174.250 174.678 -0.428 19282 7241 1 10 . 1 1 15 15 ASP CA C 15 54.485 54.485 52.828 1.657 19282 7242 1 10 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.734 -1.286 19282 7243 1 10 . 1 1 16 16 LYS N N 16 118.266 118.266 118.740 -0.474 19282 7244 1 10 . 1 1 16 16 LYS HA H 16 5.016 5.016 5.017 -0.001 19282 7245 1 10 . 1 1 16 16 LYS C C 16 175.472 175.472 173.854 1.618 19282 7246 1 10 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.591 0.973 19282 7247 1 10 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.087 1.218 19282 7248 1 10 . 1 1 16 16 LYS H H 16 8.289 8.289 7.874 0.415 19282 7249 1 10 . 1 1 17 17 CYS N N 17 118.232 118.232 119.252 -1.020 19282 7250 1 10 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.135 0.799 19282 7251 1 10 . 1 1 17 17 CYS C C 17 174.859 174.859 173.053 1.806 19282 7252 1 10 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.471 -4.924 19282 7253 1 10 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.195 14.002 19282 7254 1 10 . 1 1 17 17 CYS H H 17 8.492 8.492 8.318 0.174 19282 7255 1 10 . 1 1 18 18 PHE N N 18 121.121 121.121 125.384 -4.263 19282 7256 1 10 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.769 0.477 19282 7257 1 10 . 1 1 18 18 PHE C C 18 174.238 174.238 174.715 -0.477 19282 7258 1 10 . 1 1 18 18 PHE CA C 18 56.427 56.427 55.236 1.190 19282 7259 1 10 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.455 0.735 19282 7260 1 10 . 1 1 18 18 PHE H H 18 10.029 10.029 9.340 0.689 19282 7261 1 10 . 1 1 19 19 HIS N N 19 122.393 122.393 119.537 2.856 19282 7262 1 10 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.590 -0.227 19282 7263 1 10 . 1 1 19 19 HIS C C 19 172.933 172.933 173.056 -0.123 19282 7264 1 10 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.855 0.228 19282 7265 1 10 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.160 -1.761 19282 7266 1 10 . 1 1 19 19 HIS H H 19 8.624 8.624 9.283 -0.659 19282 7267 1 10 . 1 1 20 20 VAL N N 20 128.351 128.351 129.054 -0.703 19282 7268 1 10 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.842 0.349 19282 7269 1 10 . 1 1 20 20 VAL C C 20 174.971 174.971 174.861 0.110 19282 7270 1 10 . 1 1 20 20 VAL CA C 20 61.049 61.049 62.121 -1.072 19282 7271 1 10 . 1 1 20 20 VAL CB C 20 32.109 32.109 31.128 0.981 19282 7272 1 10 . 1 1 20 20 VAL H H 20 7.880 7.880 8.284 -0.404 19282 7273 1 10 . 1 1 21 21 SER N N 21 123.985 123.985 124.401 -0.416 19282 7274 1 10 . 1 1 21 21 SER HA H 21 3.904 3.904 4.292 -0.388 19282 7275 1 10 . 1 1 21 21 SER C C 21 173.842 173.842 174.503 -0.661 19282 7276 1 10 . 1 1 21 21 SER CA C 21 59.417 59.417 58.106 1.311 19282 7277 1 10 . 1 1 21 21 SER CB C 21 62.993 62.993 62.857 0.136 19282 7278 1 10 . 1 1 21 21 SER H H 21 8.802 8.802 8.279 0.523 19282 7279 1 10 . 1 1 22 22 GLN N N 22 118.390 118.390 124.683 -6.293 19282 7280 1 10 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.337 -0.064 19282 7281 1 10 . 1 1 22 22 GLN C C 22 175.650 175.650 174.658 0.992 19282 7282 1 10 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.661 0.065 19282 7283 1 10 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.571 1.471 19282 7284 1 10 . 1 1 22 22 GLN H H 22 8.866 8.866 8.532 0.334 19282 7285 1 10 . 1 1 23 23 VAL N N 23 113.258 113.258 113.215 0.043 19282 7286 1 10 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.437 -0.123 19282 7287 1 10 . 1 1 23 23 VAL C C 23 172.691 172.691 175.294 -2.603 19282 7288 1 10 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.217 0.569 19282 7289 1 10 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.828 0.541 19282 7290 1 10 . 1 1 23 23 VAL H H 23 6.897 6.897 7.203 -0.306 19282 7291 1 10 . 1 1 24 24 SER N N 24 115.205 115.205 119.406 -4.201 19282 7292 1 10 . 1 1 24 24 SER HA H 24 4.894 4.894 5.257 -0.363 19282 7293 1 10 . 1 1 24 24 SER C C 24 173.846 173.846 174.053 -0.207 19282 7294 1 10 . 1 1 24 24 SER CA C 24 56.040 56.040 58.454 -2.414 19282 7295 1 10 . 1 1 24 24 SER CB C 24 65.361 65.361 65.100 0.261 19282 7296 1 10 . 1 1 24 24 SER H H 24 8.125 8.125 8.502 -0.377 19282 7297 1 10 . 1 1 25 25 ASN N N 25 122.669 122.669 119.320 3.349 19282 7298 1 10 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.286 -0.198 19282 7299 1 10 . 1 1 25 25 ASN C C 25 175.285 175.285 174.096 1.189 19282 7300 1 10 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.311 0.719 19282 7301 1 10 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.790 -1.255 19282 7302 1 10 . 1 1 25 25 ASN H H 25 9.854 9.854 9.398 0.456 19282 7303 1 10 . 1 1 26 26 THR N N 26 113.569 113.569 111.338 2.231 19282 7304 1 10 . 1 1 26 26 THR HA H 26 5.520 5.520 5.413 0.107 19282 7305 1 10 . 1 1 26 26 THR C C 26 174.350 174.350 176.028 -1.678 19282 7306 1 10 . 1 1 26 26 THR CA C 26 61.930 61.930 60.814 1.116 19282 7307 1 10 . 1 1 26 26 THR CB C 26 70.719 70.719 70.707 0.012 19282 7308 1 10 . 1 1 26 26 THR H H 26 9.718 9.718 8.174 1.544 19282 7309 1 10 . 1 1 27 27 TRP N N 27 121.857 121.857 122.110 -0.253 19282 7310 1 10 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.329 -0.712 19282 7311 1 10 . 1 1 27 27 TRP C C 27 177.624 177.624 177.530 0.094 19282 7312 1 10 . 1 1 27 27 TRP CA C 27 62.651 62.651 61.815 0.836 19282 7313 1 10 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.047 1.381 19282 7314 1 10 . 1 1 27 27 TRP H H 27 7.836 7.836 8.383 -0.547 19282 7315 1 10 . 1 1 28 28 GLU N N 28 114.949 114.949 117.225 -2.276 19282 7316 1 10 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.655 0.053 19282 7317 1 10 . 1 1 28 28 GLU C C 28 178.928 178.928 178.892 0.036 19282 7318 1 10 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.429 0.160 19282 7319 1 10 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.179 0.301 19282 7320 1 10 . 1 1 28 28 GLU H H 28 8.827 8.827 8.332 0.495 19282 7321 1 10 . 1 1 29 29 GLU N N 29 118.462 118.462 119.691 -1.229 19282 7322 1 10 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.939 -0.013 19282 7323 1 10 . 1 1 29 29 GLU C C 29 179.587 179.587 179.036 0.551 19282 7324 1 10 . 1 1 29 29 GLU CA C 29 58.569 58.569 59.037 -0.468 19282 7325 1 10 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.034 -0.901 19282 7326 1 10 . 1 1 29 29 GLU H H 29 7.259 7.259 7.917 -0.658 19282 7327 1 10 . 1 1 30 30 GLY N N 30 112.186 112.186 107.417 4.769 19282 7328 1 10 . 1 1 30 30 GLY C C 30 173.516 173.516 175.178 -1.662 19282 7329 1 10 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.826 -0.084 19282 7330 1 10 . 1 1 30 30 GLY H H 30 7.871 7.871 7.838 0.033 19282 7331 1 10 . 1 1 31 31 LEU N N 31 122.216 122.216 122.534 -0.318 19282 7332 1 10 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.718 -0.373 19282 7333 1 10 . 1 1 31 31 LEU C C 31 179.828 179.828 178.346 1.482 19282 7334 1 10 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.348 1.607 19282 7335 1 10 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.693 -0.218 19282 7336 1 10 . 1 1 31 31 LEU H H 31 7.610 7.610 7.198 0.412 19282 7337 1 10 . 1 1 32 32 VAL N N 32 118.301 118.301 118.708 -0.407 19282 7338 1 10 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.520 0.131 19282 7339 1 10 . 1 1 32 32 VAL C C 32 179.041 179.041 178.187 0.854 19282 7340 1 10 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.543 -0.676 19282 7341 1 10 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.380 0.596 19282 7342 1 10 . 1 1 32 32 VAL H H 32 7.571 7.571 7.461 0.110 19282 7343 1 10 . 1 1 33 33 ASP N N 33 123.085 123.085 120.410 2.675 19282 7344 1 10 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.393 -0.016 19282 7345 1 10 . 1 1 33 33 ASP C C 33 179.766 179.766 178.718 1.048 19282 7346 1 10 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.062 0.075 19282 7347 1 10 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.767 2.668 19282 7348 1 10 . 1 1 33 33 ASP H H 33 7.924 7.924 7.894 0.030 19282 7349 1 10 . 1 1 34 34 CYS N N 34 115.181 115.181 117.336 -2.155 19282 7350 1 10 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.441 0.063 19282 7351 1 10 . 1 1 34 34 CYS C C 34 177.697 177.697 177.280 0.417 19282 7352 1 10 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.080 -5.010 19282 7353 1 10 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.226 8.195 19282 7354 1 10 . 1 1 34 34 CYS H H 34 8.486 8.486 7.844 0.642 19282 7355 1 10 . 1 1 35 35 ASP N N 35 123.300 123.300 121.162 2.138 19282 7356 1 10 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.671 0.083 19282 7357 1 10 . 1 1 35 35 ASP C C 35 180.457 180.457 179.220 1.237 19282 7358 1 10 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.759 0.511 19282 7359 1 10 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.378 1.765 19282 7360 1 10 . 1 1 35 35 ASP H H 35 8.458 8.458 8.063 0.395 19282 7361 1 10 . 1 1 36 36 GLY N N 36 107.140 107.140 108.716 -1.576 19282 7362 1 10 . 1 1 36 36 GLY C C 36 175.345 175.345 175.489 -0.144 19282 7363 1 10 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.868 0.008 19282 7364 1 10 . 1 1 36 36 GLY H H 36 8.281 8.281 7.915 0.366 19282 7365 1 10 . 1 1 37 37 LYS N N 37 119.450 119.450 119.622 -0.172 19282 7366 1 10 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.522 0.024 19282 7367 1 10 . 1 1 37 37 LYS C C 37 176.415 176.415 175.856 0.559 19282 7368 1 10 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.543 1.287 19282 7369 1 10 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.383 1.371 19282 7370 1 10 . 1 1 37 37 LYS H H 37 7.587 7.587 7.590 -0.003 19282 7371 1 10 . 1 1 38 38 GLY N N 38 109.781 109.781 107.298 2.483 19282 7372 1 10 . 1 1 38 38 GLY C C 38 174.144 174.144 173.267 0.877 19282 7373 1 10 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.492 1.299 19282 7374 1 10 . 1 1 38 38 GLY H H 38 8.205 8.205 7.942 0.263 19282 7375 1 10 . 1 1 39 39 ALA N N 39 123.317 123.317 120.959 2.358 19282 7376 1 10 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.303 -0.187 19282 7377 1 10 . 1 1 39 39 ALA C C 39 174.817 174.817 175.503 -0.686 19282 7378 1 10 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.625 -0.451 19282 7379 1 10 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.916 2.237 19282 7380 1 10 . 1 1 39 39 ALA H H 39 8.107 8.107 7.595 0.512 19282 7381 1 10 . 1 1 40 40 THR N N 40 108.747 108.747 110.284 -1.537 19282 7382 1 10 . 1 1 40 40 THR HA H 40 5.080 5.080 4.738 0.342 19282 7383 1 10 . 1 1 40 40 THR C C 40 175.723 175.723 173.541 2.182 19282 7384 1 10 . 1 1 40 40 THR CA C 40 60.173 60.173 59.508 0.665 19282 7385 1 10 . 1 1 40 40 THR CB C 40 72.452 72.452 71.731 0.721 19282 7386 1 10 . 1 1 40 40 THR H H 40 8.566 8.566 8.966 -0.400 19282 7387 1 10 . 1 1 41 41 LEU N N 41 123.750 123.750 124.239 -0.489 19282 7388 1 10 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.565 0.489 19282 7389 1 10 . 1 1 41 41 LEU C C 41 177.800 177.800 177.271 0.529 19282 7390 1 10 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.551 1.125 19282 7391 1 10 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.837 1.787 19282 7392 1 10 . 1 1 41 41 LEU H H 41 7.791 7.791 8.649 -0.858 19282 7393 1 10 . 1 1 42 42 MET N N 42 116.452 116.452 127.716 -11.264 19282 7394 1 10 . 1 1 42 42 MET HA H 42 4.098 4.098 4.348 -0.250 19282 7395 1 10 . 1 1 42 42 MET C C 42 174.097 174.097 174.506 -0.409 19282 7396 1 10 . 1 1 42 42 MET CA C 42 57.887 57.887 56.182 1.705 19282 7397 1 10 . 1 1 42 42 MET CB C 42 34.299 34.299 32.203 2.096 19282 7398 1 10 . 1 1 42 42 MET H H 42 7.983 7.983 8.985 -1.002 19282 7399 1 10 . 1 1 43 43 LEU N N 43 128.106 128.106 127.997 0.109 19282 7400 1 10 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.866 0.651 19282 7401 1 10 . 1 1 43 43 LEU C C 43 174.928 174.928 175.024 -0.096 19282 7402 1 10 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.476 1.057 19282 7403 1 10 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.568 1.260 19282 7404 1 10 . 1 1 43 43 LEU H H 43 8.078 8.078 8.689 -0.611 19282 7405 1 10 . 1 1 44 44 ILE N N 44 118.686 118.686 123.443 -4.757 19282 7406 1 10 . 1 1 44 44 ILE HA H 44 4.202 4.202 4.120 0.082 19282 7407 1 10 . 1 1 44 44 ILE C C 44 175.736 175.736 175.696 0.040 19282 7408 1 10 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.203 -0.152 19282 7409 1 10 . 1 1 44 44 ILE CB C 44 38.168 38.168 39.110 -0.942 19282 7410 1 10 . 1 1 44 44 ILE H H 44 5.273 5.273 7.445 -2.172 19282 7411 1 10 . 1 1 45 45 GLN N N 45 127.754 127.754 125.902 1.852 19282 7412 1 10 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.261 -0.082 19282 7413 1 10 . 1 1 45 45 GLN C C 45 175.402 175.402 174.572 0.830 19282 7414 1 10 . 1 1 45 45 GLN CA C 45 57.103 57.103 56.994 0.109 19282 7415 1 10 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.849 -0.016 19282 7416 1 10 . 1 1 45 45 GLN H H 45 9.722 9.722 8.711 1.011 19282 7417 1 10 . 1 1 46 46 ASP N N 46 114.490 114.490 114.376 0.114 19282 7418 1 10 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.826 -0.182 19282 7419 1 10 . 1 1 46 46 ASP C C 46 175.286 175.286 176.315 -1.029 19282 7420 1 10 . 1 1 46 46 ASP CA C 46 53.256 53.256 52.582 0.674 19282 7421 1 10 . 1 1 46 46 ASP CB C 46 42.752 42.752 43.602 -0.850 19282 7422 1 10 . 1 1 46 46 ASP H H 46 7.545 7.545 7.876 -0.331 19282 7423 1 10 . 1 1 47 47 GLN N N 47 118.745 118.745 119.967 -1.222 19282 7424 1 10 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.114 -0.111 19282 7425 1 10 . 1 1 47 47 GLN C C 47 177.858 177.858 177.766 0.092 19282 7426 1 10 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.860 0.135 19282 7427 1 10 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.680 -0.212 19282 7428 1 10 . 1 1 47 47 GLN H H 47 8.954 8.954 8.772 0.182 19282 7429 1 10 . 1 1 48 48 GLU N N 48 121.721 121.721 118.849 2.872 19282 7430 1 10 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.128 -0.046 19282 7431 1 10 . 1 1 48 48 GLU C C 48 179.073 179.073 179.113 -0.040 19282 7432 1 10 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.649 0.301 19282 7433 1 10 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.664 -0.917 19282 7434 1 10 . 1 1 48 48 GLU H H 48 8.532 8.532 8.777 -0.245 19282 7435 1 10 . 1 1 49 49 GLU N N 49 120.709 120.709 119.551 1.158 19282 7436 1 10 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.368 -0.592 19282 7437 1 10 . 1 1 49 49 GLU C C 49 177.707 177.707 179.250 -1.543 19282 7438 1 10 . 1 1 49 49 GLU CA C 49 59.829 59.829 58.951 0.878 19282 7439 1 10 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.509 1.119 19282 7440 1 10 . 1 1 49 49 GLU H H 49 8.336 8.336 7.862 0.474 19282 7441 1 10 . 1 1 50 50 LEU N N 50 118.070 118.070 118.806 -0.736 19282 7442 1 10 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.985 -0.048 19282 7443 1 10 . 1 1 50 50 LEU C C 50 177.342 177.342 178.742 -1.400 19282 7444 1 10 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.618 0.657 19282 7445 1 10 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.409 0.296 19282 7446 1 10 . 1 1 50 50 LEU H H 50 7.175 7.175 7.496 -0.321 19282 7447 1 10 . 1 1 51 51 ARG N N 51 117.898 117.898 119.807 -1.909 19282 7448 1 10 . 1 1 51 51 ARG HA H 51 3.807 3.807 4.012 -0.205 19282 7449 1 10 . 1 1 51 51 ARG C C 51 177.876 177.876 178.031 -0.155 19282 7450 1 10 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.844 0.529 19282 7451 1 10 . 1 1 51 51 ARG CB C 51 29.928 29.928 28.980 0.948 19282 7452 1 10 . 1 1 51 51 ARG H H 51 8.135 8.135 8.681 -0.546 19282 7453 1 10 . 1 1 52 52 PHE N N 52 118.865 118.865 120.495 -1.630 19282 7454 1 10 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.735 -0.607 19282 7455 1 10 . 1 1 52 52 PHE C C 52 178.379 178.379 177.056 1.323 19282 7456 1 10 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.202 1.078 19282 7457 1 10 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.444 -0.930 19282 7458 1 10 . 1 1 52 52 PHE H H 52 8.003 8.003 7.602 0.401 19282 7459 1 10 . 1 1 53 53 LEU N N 53 122.451 122.451 122.166 0.285 19282 7460 1 10 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.909 -0.504 19282 7461 1 10 . 1 1 53 53 LEU C C 53 178.870 178.870 178.982 -0.112 19282 7462 1 10 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.451 -0.155 19282 7463 1 10 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.850 0.481 19282 7464 1 10 . 1 1 53 53 LEU H H 53 7.824 7.824 7.767 0.057 19282 7465 1 10 . 1 1 54 54 LEU N N 54 117.828 117.828 118.902 -1.074 19282 7466 1 10 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.771 0.016 19282 7467 1 10 . 1 1 54 54 LEU C C 54 179.783 179.783 179.328 0.455 19282 7468 1 10 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.040 -0.107 19282 7469 1 10 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.864 0.067 19282 7470 1 10 . 1 1 54 54 LEU H H 54 8.361 8.361 8.589 -0.228 19282 7471 1 10 . 1 1 55 55 ASP N N 55 116.846 116.846 119.053 -2.207 19282 7472 1 10 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.250 0.127 19282 7473 1 10 . 1 1 55 55 ASP C C 55 177.824 177.824 177.620 0.204 19282 7474 1 10 . 1 1 55 55 ASP CA C 55 56.232 56.232 57.076 -0.844 19282 7475 1 10 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.437 0.396 19282 7476 1 10 . 1 1 55 55 ASP H H 55 7.933 7.933 7.722 0.211 19282 7477 1 10 . 1 1 56 56 SER N N 56 114.399 114.399 114.493 -0.094 19282 7478 1 10 . 1 1 56 56 SER HA H 56 4.122 4.122 4.175 -0.053 19282 7479 1 10 . 1 1 56 56 SER C C 56 174.277 174.277 176.420 -2.143 19282 7480 1 10 . 1 1 56 56 SER CA C 56 60.677 60.677 60.287 0.390 19282 7481 1 10 . 1 1 56 56 SER CB C 56 63.675 63.675 63.978 -0.303 19282 7482 1 10 . 1 1 56 56 SER H H 56 7.441 7.441 7.543 -0.102 19282 7483 1 10 . 1 1 57 57 ILE N N 57 121.159 121.159 121.854 -0.695 19282 7484 1 10 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.519 0.278 19282 7485 1 10 . 1 1 57 57 ILE C C 57 175.873 175.873 177.293 -1.420 19282 7486 1 10 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.682 -0.871 19282 7487 1 10 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.433 1.133 19282 7488 1 10 . 1 1 57 57 ILE H H 57 7.378 7.378 8.329 -0.951 19282 7489 1 10 . 1 1 58 58 LYS N N 58 124.292 124.292 117.374 6.918 19282 7490 1 10 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.670 0.494 19282 7491 1 10 . 1 1 58 58 LYS C C 58 177.266 177.266 178.115 -0.849 19282 7492 1 10 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.977 -1.653 19282 7493 1 10 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.096 2.193 19282 7494 1 10 . 1 1 58 58 LYS H H 58 8.218 8.218 7.663 0.555 19282 7495 1 10 . 1 1 59 59 GLU N N 59 119.807 119.807 118.659 1.148 19282 7496 1 10 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.029 0.322 19282 7497 1 10 . 1 1 59 59 GLU C C 59 176.023 176.023 178.491 -2.468 19282 7498 1 10 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.932 -3.018 19282 7499 1 10 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.931 -1.100 19282 7500 1 10 . 1 1 59 59 GLU H H 59 7.761 7.761 8.281 -0.520 19282 7501 1 10 . 1 1 60 60 LYS N N 60 120.606 120.606 112.490 8.116 19282 7502 1 10 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.982 0.175 19282 7503 1 10 . 1 1 60 60 LYS C C 60 176.229 176.229 177.143 -0.914 19282 7504 1 10 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.471 -1.464 19282 7505 1 10 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.391 2.040 19282 7506 1 10 . 1 1 60 60 LYS H H 60 8.051 8.051 8.469 -0.418 19282 7507 1 10 . 1 1 61 61 TYR N N 61 115.876 115.876 120.057 -4.181 19282 7508 1 10 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.434 0.160 19282 7509 1 10 . 1 1 61 61 TYR C C 61 175.714 175.714 175.172 0.542 19282 7510 1 10 . 1 1 61 61 TYR CA C 61 57.110 57.110 58.002 -0.892 19282 7511 1 10 . 1 1 61 61 TYR CB C 61 37.499 37.499 36.434 1.065 19282 7512 1 10 . 1 1 61 61 TYR H H 61 7.756 7.756 7.427 0.329 19282 7513 1 10 . 1 1 62 62 ASN N N 62 118.634 118.634 116.065 2.569 19282 7514 1 10 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.749 -0.019 19282 7515 1 10 . 1 1 62 62 ASN C C 62 173.016 173.016 172.495 0.521 19282 7516 1 10 . 1 1 62 62 ASN CA C 62 52.654 52.654 51.498 1.156 19282 7517 1 10 . 1 1 62 62 ASN CB C 62 41.378 41.378 42.396 -1.018 19282 7518 1 10 . 1 1 62 62 ASN H H 62 7.477 7.477 7.834 -0.357 19282 7519 1 10 . 1 1 63 63 SER N N 63 115.211 115.211 114.575 0.636 19282 7520 1 10 . 1 1 63 63 SER HA H 63 5.256 5.256 5.107 0.149 19282 7521 1 10 . 1 1 63 63 SER C C 63 172.817 172.817 172.484 0.333 19282 7522 1 10 . 1 1 63 63 SER CA C 63 57.506 57.506 57.519 -0.013 19282 7523 1 10 . 1 1 63 63 SER CB C 63 63.821 63.821 65.070 -1.249 19282 7524 1 10 . 1 1 63 63 SER H H 63 8.107 8.107 7.970 0.137 19282 7525 1 10 . 1 1 64 64 PHE N N 64 118.959 118.959 121.796 -2.837 19282 7526 1 10 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.070 -0.482 19282 7527 1 10 . 1 1 64 64 PHE C C 64 175.495 175.495 175.349 0.146 19282 7528 1 10 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.834 -0.392 19282 7529 1 10 . 1 1 64 64 PHE CB C 64 42.226 42.226 40.743 1.483 19282 7530 1 10 . 1 1 64 64 PHE H H 64 8.735 8.735 8.741 -0.006 19282 7531 1 10 . 1 1 65 65 TRP N N 65 124.651 124.651 124.907 -0.256 19282 7532 1 10 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.992 0.751 19282 7533 1 10 . 1 1 65 65 TRP C C 65 175.951 175.951 176.886 -0.935 19282 7534 1 10 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.349 -0.271 19282 7535 1 10 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.016 2.660 19282 7536 1 10 . 1 1 65 65 TRP H H 65 10.282 10.282 9.121 1.161 19282 7537 1 10 . 1 1 66 66 ILE N N 66 109.430 109.430 116.469 -7.039 19282 7538 1 10 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.104 0.170 19282 7539 1 10 . 1 1 66 66 ILE C C 66 177.380 177.380 177.680 -0.300 19282 7540 1 10 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.094 1.504 19282 7541 1 10 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.279 1.485 19282 7542 1 10 . 1 1 66 66 ILE H H 66 8.443 8.443 8.709 -0.266 19282 7543 1 10 . 1 1 67 67 GLY N N 67 111.319 111.319 109.491 1.828 19282 7544 1 10 . 1 1 67 67 GLY C C 67 172.897 172.897 173.788 -0.891 19282 7545 1 10 . 1 1 67 67 GLY CA C 67 49.995 49.995 46.130 3.865 19282 7546 1 10 . 1 1 67 67 GLY H H 67 10.395 10.395 9.302 1.093 19282 7547 1 10 . 1 1 68 68 LEU N N 68 127.499 127.499 123.078 4.421 19282 7548 1 10 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.418 0.466 19282 7549 1 10 . 1 1 68 68 LEU C C 68 173.367 173.367 175.740 -2.373 19282 7550 1 10 . 1 1 68 68 LEU CA C 68 54.637 54.637 54.006 0.631 19282 7551 1 10 . 1 1 68 68 LEU CB C 68 46.081 46.081 41.753 4.328 19282 7552 1 10 . 1 1 68 68 LEU H H 68 8.446 8.446 8.168 0.278 19282 7553 1 10 . 1 1 69 69 ARG N N 69 124.432 124.432 122.523 1.909 19282 7554 1 10 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.419 0.491 19282 7555 1 10 . 1 1 69 69 ARG C C 69 173.026 173.026 173.982 -0.956 19282 7556 1 10 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.789 1.689 19282 7557 1 10 . 1 1 69 69 ARG CB C 69 34.344 34.344 32.463 1.881 19282 7558 1 10 . 1 1 69 69 ARG H H 69 8.479 8.479 8.941 -0.462 19282 7559 1 10 . 1 1 70 70 TYR N N 70 128.687 128.687 127.990 0.697 19282 7560 1 10 . 1 1 70 70 TYR HA H 70 3.876 3.876 4.059 -0.183 19282 7561 1 10 . 1 1 70 70 TYR C C 70 175.118 175.118 174.965 0.153 19282 7562 1 10 . 1 1 70 70 TYR CA C 70 57.747 57.747 55.876 1.871 19282 7563 1 10 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.311 -0.080 19282 7564 1 10 . 1 1 70 70 TYR H H 70 7.936 7.936 7.830 0.106 19282 7565 1 10 . 1 1 71 71 THR N N 71 120.097 120.097 121.113 -1.016 19282 7566 1 10 . 1 1 71 71 THR HA H 71 4.477 4.477 4.264 0.213 19282 7567 1 10 . 1 1 71 71 THR C C 71 172.547 172.547 172.639 -0.092 19282 7568 1 10 . 1 1 71 71 THR CA C 71 60.631 60.631 61.019 -0.388 19282 7569 1 10 . 1 1 71 71 THR CB C 71 71.324 71.324 69.549 1.775 19282 7570 1 10 . 1 1 71 71 THR H H 71 7.701 7.701 7.785 -0.084 19282 7571 1 10 . 1 1 72 72 LEU N N 72 125.241 125.241 126.521 -1.280 19282 7572 1 10 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.685 -0.419 19282 7573 1 10 . 1 1 72 72 LEU C C 72 175.916 175.916 175.072 0.844 19282 7574 1 10 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.733 1.141 19282 7575 1 10 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.319 -1.499 19282 7576 1 10 . 1 1 72 72 LEU H H 72 8.487 8.487 8.357 0.130 19282 7577 1 10 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.691 -0.282 19282 7578 1 10 . 1 1 73 73 PRO C C 73 176.278 176.278 175.502 0.776 19282 7579 1 10 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.431 1.118 19282 7580 1 10 . 1 1 73 73 PRO CB C 73 34.136 34.136 33.078 1.058 19282 7581 1 10 . 1 1 74 74 ASP N N 74 123.018 123.018 122.102 0.916 19282 7582 1 10 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.474 -0.317 19282 7583 1 10 . 1 1 74 74 ASP C C 74 175.592 175.592 175.730 -0.138 19282 7584 1 10 . 1 1 74 74 ASP CA C 74 56.528 56.528 55.008 1.520 19282 7585 1 10 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.577 -1.889 19282 7586 1 10 . 1 1 74 74 ASP H H 74 8.716 8.716 8.063 0.653 19282 7587 1 10 . 1 1 75 75 MET N N 75 113.361 113.361 114.682 -1.321 19282 7588 1 10 . 1 1 75 75 MET HA H 75 3.319 3.319 3.584 -0.265 19282 7589 1 10 . 1 1 75 75 MET C C 75 174.354 174.354 174.039 0.315 19282 7590 1 10 . 1 1 75 75 MET CA C 75 56.042 56.042 56.531 -0.489 19282 7591 1 10 . 1 1 75 75 MET CB C 75 29.181 29.181 30.609 -1.428 19282 7592 1 10 . 1 1 75 75 MET H H 75 8.421 8.421 7.792 0.629 19282 7593 1 10 . 1 1 76 76 ASN N N 76 112.997 112.997 116.839 -3.842 19282 7594 1 10 . 1 1 76 76 ASN HA H 76 4.808 4.808 4.832 -0.024 19282 7595 1 10 . 1 1 76 76 ASN C C 76 173.984 173.984 173.631 0.353 19282 7596 1 10 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.294 -1.011 19282 7597 1 10 . 1 1 76 76 ASN CB C 76 41.823 41.823 40.718 1.105 19282 7598 1 10 . 1 1 76 76 ASN H H 76 6.883 6.883 7.480 -0.597 19282 7599 1 10 . 1 1 77 77 TRP N N 77 122.857 122.857 122.230 0.627 19282 7600 1 10 . 1 1 77 77 TRP HA H 77 4.534 4.534 4.934 -0.400 19282 7601 1 10 . 1 1 77 77 TRP C C 77 175.329 175.329 175.801 -0.472 19282 7602 1 10 . 1 1 77 77 TRP CA C 77 57.615 57.615 57.129 0.486 19282 7603 1 10 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.143 0.974 19282 7604 1 10 . 1 1 77 77 TRP H H 77 8.766 8.766 8.846 -0.080 19282 7605 1 10 . 1 1 78 78 LYS N N 78 121.731 121.731 120.333 1.398 19282 7606 1 10 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.672 0.297 19282 7607 1 10 . 1 1 78 78 LYS C C 78 177.225 177.225 175.768 1.457 19282 7608 1 10 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.752 0.397 19282 7609 1 10 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.037 0.660 19282 7610 1 10 . 1 1 78 78 LYS H H 78 8.584 8.584 8.416 0.168 19282 7611 1 10 . 1 1 79 79 TRP N N 79 124.809 124.809 119.162 5.647 19282 7612 1 10 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.721 -0.044 19282 7613 1 10 . 1 1 79 79 TRP C C 79 180.969 180.969 178.870 2.099 19282 7614 1 10 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.740 -0.048 19282 7615 1 10 . 1 1 79 79 TRP CB C 79 31.944 31.944 31.167 0.777 19282 7616 1 10 . 1 1 79 79 TRP H H 79 9.045 9.045 8.378 0.667 19282 7617 1 10 . 1 1 80 80 ILE N N 80 114.947 114.947 116.944 -1.997 19282 7618 1 10 . 1 1 80 80 ILE HA H 80 4.355 4.355 4.181 0.174 19282 7619 1 10 . 1 1 80 80 ILE C C 80 175.690 175.690 176.248 -0.558 19282 7620 1 10 . 1 1 80 80 ILE CA C 80 63.782 63.782 63.334 0.448 19282 7621 1 10 . 1 1 80 80 ILE CB C 80 38.284 38.284 38.533 -0.249 19282 7622 1 10 . 1 1 80 80 ILE H H 80 8.493 8.493 8.931 -0.438 19282 7623 1 10 . 1 1 81 81 ASN N N 81 116.185 116.185 117.963 -1.778 19282 7624 1 10 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.645 0.247 19282 7625 1 10 . 1 1 81 81 ASN C C 81 176.344 176.344 176.162 0.182 19282 7626 1 10 . 1 1 81 81 ASN CA C 81 52.787 52.787 53.082 -0.295 19282 7627 1 10 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.031 -0.253 19282 7628 1 10 . 1 1 81 81 ASN H H 81 7.370 7.370 8.040 -0.670 19282 7629 1 10 . 1 1 82 82 GLY N N 82 108.864 108.864 107.506 1.358 19282 7630 1 10 . 1 1 82 82 GLY C C 82 174.321 174.321 174.514 -0.193 19282 7631 1 10 . 1 1 82 82 GLY CA C 82 45.306 45.306 44.933 0.373 19282 7632 1 10 . 1 1 82 82 GLY H H 82 8.621 8.621 8.326 0.295 19282 7633 1 10 . 1 1 83 83 SER N N 83 116.447 116.447 115.991 0.456 19282 7634 1 10 . 1 1 83 83 SER HA H 83 4.688 4.688 5.043 -0.355 19282 7635 1 10 . 1 1 83 83 SER C C 83 174.042 174.042 174.462 -0.420 19282 7636 1 10 . 1 1 83 83 SER CA C 83 58.822 58.822 57.526 1.296 19282 7637 1 10 . 1 1 83 83 SER CB C 83 64.512 64.512 65.323 -0.811 19282 7638 1 10 . 1 1 83 83 SER H H 83 7.894 7.894 7.970 -0.076 19282 7639 1 10 . 1 1 84 84 THR N N 84 117.358 117.358 116.182 1.176 19282 7640 1 10 . 1 1 84 84 THR HA H 84 4.628 4.628 4.731 -0.103 19282 7641 1 10 . 1 1 84 84 THR C C 84 174.906 174.906 173.767 1.139 19282 7642 1 10 . 1 1 84 84 THR CA C 84 62.727 62.727 61.966 0.761 19282 7643 1 10 . 1 1 84 84 THR CB C 84 70.047 70.047 71.537 -1.490 19282 7644 1 10 . 1 1 84 84 THR H H 84 8.710 8.710 8.334 0.376 19282 7645 1 10 . 1 1 85 85 LEU N N 85 125.457 125.457 128.185 -2.728 19282 7646 1 10 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.758 -0.339 19282 7647 1 10 . 1 1 85 85 LEU C C 85 175.973 175.973 175.817 0.156 19282 7648 1 10 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.762 0.406 19282 7649 1 10 . 1 1 85 85 LEU CB C 85 43.460 43.460 42.901 0.559 19282 7650 1 10 . 1 1 85 85 LEU H H 85 8.244 8.244 8.106 0.138 19282 7651 1 10 . 1 1 86 86 ASN N N 86 126.729 126.729 125.329 1.400 19282 7652 1 10 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.967 0.095 19282 7653 1 10 . 1 1 86 86 ASN C C 86 176.112 176.112 176.293 -0.181 19282 7654 1 10 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.280 -0.037 19282 7655 1 10 . 1 1 86 86 ASN CB C 86 38.631 38.631 37.998 0.633 19282 7656 1 10 . 1 1 86 86 ASN H H 86 9.042 9.042 8.973 0.069 19282 7657 1 10 . 1 1 87 87 SER N N 87 120.386 120.386 121.401 -1.015 19282 7658 1 10 . 1 1 87 87 SER HA H 87 4.606 4.606 4.116 0.490 19282 7659 1 10 . 1 1 87 87 SER C C 87 174.673 174.673 175.235 -0.562 19282 7660 1 10 . 1 1 87 87 SER CA C 87 59.908 59.908 60.992 -1.085 19282 7661 1 10 . 1 1 87 87 SER CB C 87 63.602 63.602 63.306 0.296 19282 7662 1 10 . 1 1 87 87 SER H H 87 8.724 8.724 8.177 0.547 19282 7663 1 10 . 1 1 88 88 ASP N N 88 120.189 120.189 120.009 0.180 19282 7664 1 10 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.549 0.028 19282 7665 1 10 . 1 1 88 88 ASP C C 88 177.211 177.211 177.475 -0.264 19282 7666 1 10 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.032 -0.045 19282 7667 1 10 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.654 -0.014 19282 7668 1 10 . 1 1 88 88 ASP H H 88 8.464 8.464 7.786 0.678 19282 7669 1 10 . 1 1 89 89 VAL N N 89 118.259 118.259 115.619 2.640 19282 7670 1 10 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.034 -0.047 19282 7671 1 10 . 1 1 89 89 VAL C C 89 175.071 175.071 175.347 -0.276 19282 7672 1 10 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.391 0.043 19282 7673 1 10 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.413 0.549 19282 7674 1 10 . 1 1 89 89 VAL H H 89 7.783 7.783 7.749 0.034 19282 7675 1 10 . 1 1 90 90 LEU N N 90 118.198 118.198 118.083 0.115 19282 7676 1 10 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.547 -0.067 19282 7677 1 10 . 1 1 90 90 LEU C C 90 173.881 173.881 175.204 -1.323 19282 7678 1 10 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.969 1.397 19282 7679 1 10 . 1 1 90 90 LEU CB C 90 44.266 44.266 44.945 -0.679 19282 7680 1 10 . 1 1 90 90 LEU H H 90 7.537 7.537 7.382 0.155 19282 7681 1 10 . 1 1 91 91 LYS N N 91 122.032 122.032 120.063 1.969 19282 7682 1 10 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.160 0.273 19282 7683 1 10 . 1 1 91 91 LYS C C 91 175.565 175.565 175.244 0.321 19282 7684 1 10 . 1 1 91 91 LYS CA C 91 55.175 55.175 57.304 -2.129 19282 7685 1 10 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.956 1.221 19282 7686 1 10 . 1 1 91 91 LYS H H 91 8.121 8.121 8.353 -0.232 19282 7687 1 10 . 1 1 92 92 ILE N N 92 123.168 123.168 123.722 -0.554 19282 7688 1 10 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.307 -0.040 19282 7689 1 10 . 1 1 92 92 ILE C C 92 176.136 176.136 174.637 1.499 19282 7690 1 10 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.615 0.583 19282 7691 1 10 . 1 1 92 92 ILE CB C 92 39.028 39.028 42.701 -3.673 19282 7692 1 10 . 1 1 92 92 ILE H H 92 8.086 8.086 8.089 -0.003 19282 7693 1 10 . 1 1 93 93 THR N N 93 119.647 119.647 120.197 -0.550 19282 7694 1 10 . 1 1 93 93 THR HA H 93 4.487 4.487 4.729 -0.242 19282 7695 1 10 . 1 1 93 93 THR C C 93 173.748 173.748 175.319 -1.571 19282 7696 1 10 . 1 1 93 93 THR CA C 93 61.605 61.605 62.038 -0.433 19282 7697 1 10 . 1 1 93 93 THR CB C 93 70.404 70.404 69.845 0.559 19282 7698 1 10 . 1 1 93 93 THR H H 93 8.238 8.238 8.380 -0.142 19282 7699 1 10 . 1 1 94 94 GLY N N 94 111.397 111.397 112.477 -1.080 19282 7700 1 10 . 1 1 94 94 GLY C C 94 172.757 172.757 173.354 -0.597 19282 7701 1 10 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.948 -1.234 19282 7702 1 10 . 1 1 94 94 GLY H H 94 8.133 8.133 8.883 -0.750 19282 7703 1 10 . 1 1 95 95 ASP N N 95 119.905 119.905 121.286 -1.381 19282 7704 1 10 . 1 1 95 95 ASP HA H 95 4.743 4.743 5.005 -0.262 19282 7705 1 10 . 1 1 95 95 ASP C C 95 175.600 175.600 175.834 -0.234 19282 7706 1 10 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.330 0.853 19282 7707 1 10 . 1 1 95 95 ASP CB C 95 41.877 41.877 39.634 2.243 19282 7708 1 10 . 1 1 95 95 ASP H H 95 8.285 8.285 8.175 0.110 19282 7709 1 10 . 1 1 96 96 THR N N 96 115.409 115.409 115.746 -0.337 19282 7710 1 10 . 1 1 96 96 THR HA H 96 4.136 4.136 4.387 -0.251 19282 7711 1 10 . 1 1 96 96 THR C C 96 173.508 173.508 174.705 -1.197 19282 7712 1 10 . 1 1 96 96 THR CA C 96 61.369 61.369 61.588 -0.219 19282 7713 1 10 . 1 1 96 96 THR CB C 96 69.775 69.775 70.394 -0.619 19282 7714 1 10 . 1 1 96 96 THR H H 96 7.936 7.936 7.678 0.258 19282 7715 1 10 . 1 1 97 97 GLU N N 97 123.162 123.162 118.760 4.402 19282 7716 1 10 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.016 0.208 19282 7717 1 10 . 1 1 97 97 GLU C C 97 175.455 175.455 174.996 0.459 19282 7718 1 10 . 1 1 97 97 GLU CA C 97 56.162 56.162 57.819 -1.657 19282 7719 1 10 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.797 2.892 19282 7720 1 10 . 1 1 97 97 GLU H H 97 8.186 8.186 8.177 0.009 19282 7721 1 10 . 1 1 98 98 ASN N N 98 117.342 117.342 116.582 0.760 19282 7722 1 10 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.905 -0.384 19282 7723 1 10 . 1 1 98 98 ASN C C 98 174.251 174.251 174.460 -0.209 19282 7724 1 10 . 1 1 98 98 ASN CA C 98 53.449 53.449 51.882 1.567 19282 7725 1 10 . 1 1 98 98 ASN CB C 98 40.229 40.229 40.787 -0.558 19282 7726 1 10 . 1 1 98 98 ASN H H 98 7.997 7.997 8.239 -0.242 19282 7727 1 10 . 1 1 99 99 ASP N N 99 120.235 120.235 119.876 0.359 19282 7728 1 10 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.656 -0.063 19282 7729 1 10 . 1 1 99 99 ASP C C 99 176.261 176.261 175.712 0.549 19282 7730 1 10 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.787 1.351 19282 7731 1 10 . 1 1 99 99 ASP CB C 99 40.395 40.395 41.145 -0.750 19282 7732 1 10 . 1 1 99 99 ASP H H 99 8.365 8.365 8.675 -0.310 19282 7733 1 10 . 1 1 100 100 SER N N 100 116.248 116.248 114.656 1.592 19282 7734 1 10 . 1 1 100 100 SER HA H 100 4.990 4.990 4.862 0.128 19282 7735 1 10 . 1 1 100 100 SER C C 100 172.411 172.411 173.995 -1.584 19282 7736 1 10 . 1 1 100 100 SER CA C 100 59.212 59.212 58.049 1.163 19282 7737 1 10 . 1 1 100 100 SER CB C 100 66.127 66.127 64.339 1.788 19282 7738 1 10 . 1 1 100 100 SER H H 100 7.862 7.862 7.682 0.180 19282 7739 1 10 . 1 1 101 101 CYS N N 101 121.559 121.559 120.290 1.269 19282 7740 1 10 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.167 -0.111 19282 7741 1 10 . 1 1 101 101 CYS C C 101 172.356 172.356 173.733 -1.377 19282 7742 1 10 . 1 1 101 101 CYS CA C 101 59.446 59.446 58.296 1.150 19282 7743 1 10 . 1 1 101 101 CYS CB C 101 45.631 45.631 31.078 14.553 19282 7744 1 10 . 1 1 101 101 CYS H H 101 9.231 9.231 9.251 -0.020 19282 7745 1 10 . 1 1 102 102 ALA N N 102 124.390 124.390 124.199 0.191 19282 7746 1 10 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.529 -0.149 19282 7747 1 10 . 1 1 102 102 ALA C C 102 175.442 175.442 175.684 -0.242 19282 7748 1 10 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.369 1.258 19282 7749 1 10 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.308 0.663 19282 7750 1 10 . 1 1 102 102 ALA H H 102 8.393 8.393 9.077 -0.684 19282 7751 1 10 . 1 1 103 103 ALA N N 103 120.824 120.824 123.260 -2.436 19282 7752 1 10 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.346 0.145 19282 7753 1 10 . 1 1 103 103 ALA C C 103 176.664 176.664 175.529 1.135 19282 7754 1 10 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.391 -0.008 19282 7755 1 10 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.599 0.413 19282 7756 1 10 . 1 1 103 103 ALA H H 103 8.859 8.859 9.203 -0.344 19282 7757 1 10 . 1 1 104 104 ILE N N 104 119.488 119.488 121.979 -2.491 19282 7758 1 10 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.562 0.056 19282 7759 1 10 . 1 1 104 104 ILE C C 104 175.968 175.968 175.534 0.434 19282 7760 1 10 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.585 0.536 19282 7761 1 10 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.510 2.783 19282 7762 1 10 . 1 1 104 104 ILE H H 104 9.301 9.301 8.775 0.526 19282 7763 1 10 . 1 1 105 105 SER N N 105 121.988 121.988 123.050 -1.062 19282 7764 1 10 . 1 1 105 105 SER HA H 105 4.793 4.793 5.248 -0.455 19282 7765 1 10 . 1 1 105 105 SER C C 105 175.288 175.288 174.179 1.109 19282 7766 1 10 . 1 1 105 105 SER CA C 105 56.729 56.729 56.892 -0.163 19282 7767 1 10 . 1 1 105 105 SER CB C 105 64.136 64.136 63.977 0.159 19282 7768 1 10 . 1 1 105 105 SER H H 105 8.747 8.747 7.979 0.768 19282 7769 1 10 . 1 1 106 106 GLY N N 106 117.934 117.934 116.624 1.310 19282 7770 1 10 . 1 1 106 106 GLY C C 106 173.274 173.274 173.208 0.066 19282 7771 1 10 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.082 2.779 19282 7772 1 10 . 1 1 106 106 GLY H H 106 9.283 9.283 8.302 0.981 19282 7773 1 10 . 1 1 107 107 ASP N N 107 122.936 122.936 125.132 -2.196 19282 7774 1 10 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.714 -0.081 19282 7775 1 10 . 1 1 107 107 ASP C C 107 174.997 174.997 175.648 -0.651 19282 7776 1 10 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.331 -0.829 19282 7777 1 10 . 1 1 107 107 ASP CB C 107 40.928 40.928 40.774 0.154 19282 7778 1 10 . 1 1 107 107 ASP H H 107 8.420 8.420 8.481 -0.061 19282 7779 1 10 . 1 1 108 108 LYS N N 108 116.770 116.770 117.796 -1.026 19282 7780 1 10 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.787 -0.063 19282 7781 1 10 . 1 1 108 108 LYS C C 108 173.949 173.949 174.800 -0.851 19282 7782 1 10 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.535 1.208 19282 7783 1 10 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.624 -0.201 19282 7784 1 10 . 1 1 108 108 LYS H H 108 7.764 7.764 7.314 0.450 19282 7785 1 10 . 1 1 109 109 VAL N N 109 120.190 120.190 119.156 1.034 19282 7786 1 10 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.527 0.204 19282 7787 1 10 . 1 1 109 109 VAL C C 109 175.297 175.297 176.262 -0.965 19282 7788 1 10 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.592 0.417 19282 7789 1 10 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.510 -0.514 19282 7790 1 10 . 1 1 109 109 VAL H H 109 8.315 8.315 8.553 -0.238 19282 7791 1 10 . 1 1 110 110 THR N N 110 121.358 121.358 118.217 3.141 19282 7792 1 10 . 1 1 110 110 THR HA H 110 4.765 4.765 4.596 0.169 19282 7793 1 10 . 1 1 110 110 THR C C 110 172.026 172.026 172.778 -0.752 19282 7794 1 10 . 1 1 110 110 THR CA C 110 59.150 59.150 59.937 -0.787 19282 7795 1 10 . 1 1 110 110 THR CB C 110 71.063 71.063 72.045 -0.982 19282 7796 1 10 . 1 1 110 110 THR H H 110 9.253 9.253 9.090 0.163 19282 7797 1 10 . 1 1 111 111 PHE N N 111 116.390 116.390 114.610 1.780 19282 7798 1 10 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.714 -0.111 19282 7799 1 10 . 1 1 111 111 PHE C C 111 174.645 174.645 173.716 0.929 19282 7800 1 10 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.439 -0.477 19282 7801 1 10 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.851 -0.875 19282 7802 1 10 . 1 1 111 111 PHE H H 111 7.934 7.934 8.126 -0.192 19282 7803 1 10 . 1 1 112 112 GLU N N 112 119.577 119.577 120.975 -1.398 19282 7804 1 10 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.907 0.013 19282 7805 1 10 . 1 1 112 112 GLU C C 112 175.303 175.303 175.000 0.303 19282 7806 1 10 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.413 0.274 19282 7807 1 10 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.711 1.443 19282 7808 1 10 . 1 1 112 112 GLU H H 112 9.266 9.266 9.531 -0.265 19282 7809 1 10 . 1 1 113 113 SER N N 113 114.911 114.911 116.108 -1.197 19282 7810 1 10 . 1 1 113 113 SER HA H 113 4.706 4.706 4.612 0.094 19282 7811 1 10 . 1 1 113 113 SER C C 113 178.063 178.063 176.411 1.652 19282 7812 1 10 . 1 1 113 113 SER CA C 113 59.218 59.218 59.685 -0.467 19282 7813 1 10 . 1 1 113 113 SER CB C 113 63.646 63.646 63.384 0.262 19282 7814 1 10 . 1 1 113 113 SER H H 113 8.880 8.880 8.836 0.044 19282 7815 1 10 . 1 1 114 114 CYS N N 114 125.039 125.039 122.646 2.393 19282 7816 1 10 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.695 0.576 19282 7817 1 10 . 1 1 114 114 CYS C C 114 174.382 174.382 175.911 -1.529 19282 7818 1 10 . 1 1 114 114 CYS CA C 114 59.652 59.652 61.194 -1.542 19282 7819 1 10 . 1 1 114 114 CYS CB C 114 45.624 45.624 25.570 20.054 19282 7820 1 10 . 1 1 114 114 CYS H H 114 9.143 9.143 8.284 0.859 19282 7821 1 10 . 1 1 115 115 ASN N N 115 116.644 116.644 115.931 0.713 19282 7822 1 10 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.634 0.442 19282 7823 1 10 . 1 1 115 115 ASN C C 115 175.268 175.268 175.457 -0.189 19282 7824 1 10 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.334 -0.229 19282 7825 1 10 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.426 -0.341 19282 7826 1 10 . 1 1 115 115 ASN H H 115 8.251 8.251 8.596 -0.345 19282 7827 1 10 . 1 1 116 116 SER N N 116 117.296 117.296 116.423 0.873 19282 7828 1 10 . 1 1 116 116 SER HA H 116 4.509 4.509 4.521 -0.012 19282 7829 1 10 . 1 1 116 116 SER C C 116 170.342 170.342 173.574 -3.232 19282 7830 1 10 . 1 1 116 116 SER CA C 116 59.592 59.592 58.297 1.296 19282 7831 1 10 . 1 1 116 116 SER CB C 116 63.948 63.948 64.944 -0.996 19282 7832 1 10 . 1 1 116 116 SER H H 116 7.988 7.988 8.134 -0.146 19282 7833 1 10 . 1 1 117 117 ASP N N 117 119.393 119.393 124.257 -4.864 19282 7834 1 10 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.279 -0.446 19282 7835 1 10 . 1 1 117 117 ASP C C 117 174.981 174.981 175.815 -0.834 19282 7836 1 10 . 1 1 117 117 ASP CA C 117 53.331 53.331 53.747 -0.416 19282 7837 1 10 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.905 0.727 19282 7838 1 10 . 1 1 117 117 ASP H H 117 8.027 8.027 8.689 -0.662 19282 7839 1 10 . 1 1 118 118 ASN N N 118 121.127 121.127 123.652 -2.525 19282 7840 1 10 . 1 1 118 118 ASN HA H 118 4.940 4.940 5.048 -0.108 19282 7841 1 10 . 1 1 118 118 ASN C C 118 176.169 176.169 174.764 1.405 19282 7842 1 10 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.040 0.034 19282 7843 1 10 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.289 -1.057 19282 7844 1 10 . 1 1 118 118 ASN H H 118 8.634 8.634 9.190 -0.556 19282 7845 1 10 . 1 1 119 119 ARG N N 119 118.108 118.108 119.007 -0.899 19282 7846 1 10 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.627 -1.136 19282 7847 1 10 . 1 1 119 119 ARG C C 119 174.125 174.125 176.483 -2.358 19282 7848 1 10 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.917 0.751 19282 7849 1 10 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.085 0.258 19282 7850 1 10 . 1 1 119 119 ARG H H 119 6.943 6.943 8.728 -1.785 19282 7851 1 10 . 1 1 120 120 TRP N N 120 113.700 113.700 115.572 -1.872 19282 7852 1 10 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.396 0.329 19282 7853 1 10 . 1 1 120 120 TRP C C 120 173.109 173.109 173.814 -0.705 19282 7854 1 10 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.703 0.945 19282 7855 1 10 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.199 0.872 19282 7856 1 10 . 1 1 120 120 TRP H H 120 8.511 8.511 8.135 0.376 19282 7857 1 10 . 1 1 121 121 ILE N N 121 117.255 117.255 119.938 -2.683 19282 7858 1 10 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.927 0.411 19282 7859 1 10 . 1 1 121 121 ILE C C 121 176.617 176.617 175.226 1.391 19282 7860 1 10 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.537 -0.107 19282 7861 1 10 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.729 0.679 19282 7862 1 10 . 1 1 121 121 ILE H H 121 7.551 7.551 8.882 -1.331 19282 7863 1 10 . 1 1 122 122 CYS N N 122 122.116 122.116 126.777 -4.661 19282 7864 1 10 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.179 0.825 19282 7865 1 10 . 1 1 122 122 CYS C C 122 174.897 174.897 173.868 1.029 19282 7866 1 10 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.871 -6.295 19282 7867 1 10 . 1 1 122 122 CYS CB C 122 39.418 39.418 27.985 11.432 19282 7868 1 10 . 1 1 122 122 CYS H H 122 9.449 9.449 9.206 0.243 19282 7869 1 10 . 1 1 123 123 GLN N N 123 118.635 118.635 122.058 -3.423 19282 7870 1 10 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.025 0.202 19282 7871 1 10 . 1 1 123 123 GLN C C 123 174.014 174.014 174.618 -0.604 19282 7872 1 10 . 1 1 123 123 GLN CA C 123 53.829 53.829 53.804 0.025 19282 7873 1 10 . 1 1 123 123 GLN CB C 123 34.972 34.972 32.920 2.052 19282 7874 1 10 . 1 1 123 123 GLN H H 123 10.073 10.073 9.742 0.331 19282 7875 1 10 . 1 1 124 124 LYS N N 124 121.677 121.677 122.325 -0.648 19282 7876 1 10 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.662 0.177 19282 7877 1 10 . 1 1 124 124 LYS C C 124 174.809 174.809 175.351 -0.542 19282 7878 1 10 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.547 0.856 19282 7879 1 10 . 1 1 124 124 LYS CB C 124 37.577 37.577 34.980 2.597 19282 7880 1 10 . 1 1 124 124 LYS H H 124 9.115 9.115 9.133 -0.018 19282 7881 1 10 . 1 1 125 125 GLU N N 125 122.487 122.487 127.761 -5.274 19282 7882 1 10 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.177 0.398 19282 7883 1 10 . 1 1 125 125 GLU C C 125 176.057 176.057 175.700 0.357 19282 7884 1 10 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.415 -1.394 19282 7885 1 10 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.403 1.749 19282 7886 1 10 . 1 1 125 125 GLU H H 125 8.695 8.695 8.941 -0.246 19282 7887 1 10 . 1 1 126 126 LEU N N 126 123.898 123.898 128.068 -4.170 19282 7888 1 10 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.247 -0.108 19282 7889 1 10 . 1 1 126 126 LEU C C 126 176.479 176.479 176.292 0.187 19282 7890 1 10 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.214 0.369 19282 7891 1 10 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.805 -0.180 19282 7892 1 10 . 1 1 126 126 LEU H H 126 8.332 8.332 8.281 0.051 19282 7893 1 10 . 1 1 127 127 TYR N N 127 118.052 118.052 113.351 4.701 19282 7894 1 10 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.551 -0.022 19282 7895 1 10 . 1 1 127 127 TYR C C 127 175.072 175.072 172.970 2.102 19282 7896 1 10 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.322 0.164 19282 7897 1 10 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.204 -3.335 19282 7898 1 10 . 1 1 127 127 TYR H H 127 8.028 8.028 7.838 0.190 19282 7899 1 10 . 1 1 128 128 HIS N N 128 120.723 120.723 114.744 5.979 19282 7900 1 10 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.879 -0.295 19282 7901 1 10 . 1 1 128 128 HIS C C 128 174.487 174.487 173.845 0.642 19282 7902 1 10 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.877 0.811 19282 7903 1 10 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.234 -1.719 19282 7904 1 10 . 1 1 128 128 HIS H H 128 8.014 8.014 8.374 -0.360 19282 7905 1 10 . 1 1 129 129 GLU N N 129 122.855 122.855 120.387 2.468 19282 7906 1 10 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.769 -0.485 19282 7907 1 10 . 1 1 129 129 GLU C C 129 176.492 176.492 175.436 1.056 19282 7908 1 10 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.349 2.468 19282 7909 1 10 . 1 1 129 129 GLU CB C 129 30.472 30.472 32.915 -2.443 19282 7910 1 10 . 1 1 129 129 GLU H H 129 8.424 8.424 8.924 -0.500 19282 7911 1 10 . 1 1 130 130 THR N N 130 116.228 116.228 115.831 0.397 19282 7912 1 10 . 1 1 130 130 THR HA H 130 4.339 4.339 4.515 -0.176 19282 7913 1 10 . 1 1 130 130 THR C C 130 174.589 174.589 172.892 1.697 19282 7914 1 10 . 1 1 130 130 THR CA C 130 62.205 62.205 62.075 0.130 19282 7915 1 10 . 1 1 130 130 THR CB C 130 69.939 69.939 69.955 -0.016 19282 7916 1 10 . 1 1 130 130 THR H H 130 8.311 8.311 8.510 -0.199 19282 7917 1 10 . 1 1 131 131 LEU N N 131 124.856 124.856 127.389 -2.533 19282 7918 1 10 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.562 -0.152 19282 7919 1 10 . 1 1 131 131 LEU C C 131 177.438 177.438 174.722 2.716 19282 7920 1 10 . 1 1 131 131 LEU CA C 131 55.362 55.362 55.428 -0.066 19282 7921 1 10 . 1 1 131 131 LEU CB C 131 42.356 42.356 45.052 -2.696 19282 7922 1 10 . 1 1 131 131 LEU H H 131 8.294 8.294 8.591 -0.297 19282 7923 1 10 . 1 1 132 132 SER N N 132 116.127 116.127 117.029 -0.902 19282 7924 1 10 . 1 1 132 132 SER HA H 132 4.397 4.397 4.314 0.083 19282 7925 1 10 . 1 1 132 132 SER C C 132 174.250 174.250 172.439 1.811 19282 7926 1 10 . 1 1 132 132 SER CA C 132 58.571 58.571 58.637 -0.066 19282 7927 1 10 . 1 1 132 132 SER CB C 132 63.862 63.862 63.538 0.324 19282 7928 1 10 . 1 1 132 132 SER H H 132 8.255 8.255 8.583 -0.328 19282 7929 1 10 . 1 1 133 133 ASN N N 133 120.181 120.181 121.260 -1.079 19282 7930 1 10 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.883 -0.191 19282 7931 1 10 . 1 1 133 133 ASN C C 133 174.658 174.658 174.443 0.215 19282 7932 1 10 . 1 1 133 133 ASN CA C 133 53.339 53.339 52.621 0.718 19282 7933 1 10 . 1 1 133 133 ASN CB C 133 38.838 38.838 40.212 -1.374 19282 7934 1 10 . 1 1 133 133 ASN H H 133 8.293 8.293 8.392 -0.099 19282 7935 1 10 . 1 1 134 134 TYR N N 134 120.605 120.605 117.283 3.322 19282 7936 1 10 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.323 0.250 19282 7937 1 10 . 1 1 134 134 TYR C C 134 175.726 175.726 175.352 0.374 19282 7938 1 10 . 1 1 134 134 TYR CA C 134 58.149 58.149 59.136 -0.987 19282 7939 1 10 . 1 1 134 134 TYR CB C 134 38.845 38.845 37.637 1.208 19282 7940 1 10 . 1 1 134 134 TYR H H 134 8.067 8.067 8.496 -0.429 19282 7941 1 10 . 1 1 135 135 VAL N N 135 122.466 122.466 120.768 1.698 19282 7942 1 10 . 1 1 135 135 VAL HA H 135 4.047 4.047 4.177 -0.130 19282 7943 1 10 . 1 1 135 135 VAL C C 135 176.130 176.130 176.462 -0.332 19282 7944 1 10 . 1 1 135 135 VAL CA C 135 62.546 62.546 61.829 0.717 19282 7945 1 10 . 1 1 135 135 VAL CB C 135 32.778 32.778 33.367 -0.589 19282 7946 1 10 . 1 1 135 135 VAL H H 135 7.952 7.952 8.800 -0.848 19282 7947 1 10 . 1 1 136 136 GLY N N 136 111.336 111.336 107.392 3.944 19282 7948 1 10 . 1 1 136 136 GLY C C 136 173.652 173.652 173.414 0.238 19282 7949 1 10 . 1 1 136 136 GLY CA C 136 45.218 45.218 45.219 -0.001 19282 7950 1 10 . 1 1 136 136 GLY H H 136 7.915 7.915 7.596 0.319 19282 7951 1 10 . 1 1 137 137 TYR N N 137 119.801 119.801 123.446 -3.645 19282 7952 1 10 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.878 -0.314 19282 7953 1 10 . 1 1 137 137 TYR C C 137 176.375 176.375 175.023 1.352 19282 7954 1 10 . 1 1 137 137 TYR CA C 137 58.168 58.168 57.175 0.993 19282 7955 1 10 . 1 1 137 137 TYR CB C 137 38.925 38.925 39.538 -0.613 19282 7956 1 10 . 1 1 137 137 TYR H H 137 7.994 7.994 8.187 -0.193 19282 7957 1 10 . 1 1 138 138 GLY N N 138 110.979 110.979 105.365 5.614 19282 7958 1 10 . 1 1 138 138 GLY C C 138 173.159 173.159 173.332 -0.173 19282 7959 1 10 . 1 1 138 138 GLY CA C 138 45.375 45.375 44.857 0.518 19282 7960 1 10 . 1 1 138 138 GLY H H 138 8.345 8.345 7.875 0.470 19282 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 133 2.920 0.189 2.925 19282 2 1 1 "Average Difference" HA 146 0.371 -0.012 0.372 19282 3 1 1 "Average Difference" C 137 1.047 0.038 1.050 19282 4 1 1 "Average Difference" CA 137 1.407 -0.177 1.401 19282 5 1 1 "Average Difference" CB 128 3.241 -0.811 3.150 19282 6 1 1 "Average Difference" HN 133 0.530 0.025 0.532 19282 7 1 2 "Average Difference" N 133 2.908 0.033 2.919 19282 8 1 2 "Average Difference" HA 146 0.380 -0.013 0.381 19282 9 1 2 "Average Difference" C 137 1.047 0.016 1.051 19282 10 1 2 "Average Difference" CA 137 1.474 -0.146 1.472 19282 11 1 2 "Average Difference" CB 128 3.201 -0.822 3.106 19282 12 1 2 "Average Difference" HN 133 0.530 0.015 0.532 19282 13 1 3 "Average Difference" N 133 2.876 0.142 2.883 19282 14 1 3 "Average Difference" HA 146 0.349 -0.009 0.350 19282 15 1 3 "Average Difference" C 137 1.028 0.011 1.031 19282 16 1 3 "Average Difference" CA 137 1.397 -0.195 1.389 19282 17 1 3 "Average Difference" CB 128 3.207 -0.907 3.088 19282 18 1 3 "Average Difference" HN 133 0.542 0.007 0.544 19282 19 1 4 "Average Difference" N 133 2.859 0.377 2.845 19282 20 1 4 "Average Difference" HA 146 0.365 -0.012 0.366 19282 21 1 4 "Average Difference" C 137 1.047 0.016 1.050 19282 22 1 4 "Average Difference" CA 137 1.352 -0.181 1.345 19282 23 1 4 "Average Difference" CB 128 3.210 -0.866 3.103 19282 24 1 4 "Average Difference" HN 133 0.486 0.044 0.486 19282 25 1 5 "Average Difference" N 133 2.913 -0.010 2.924 19282 26 1 5 "Average Difference" HA 146 0.335 -0.015 0.336 19282 27 1 5 "Average Difference" C 137 0.996 0.003 1.000 19282 28 1 5 "Average Difference" CA 137 1.399 -0.159 1.395 19282 29 1 5 "Average Difference" CB 128 3.202 -0.846 3.100 19282 30 1 5 "Average Difference" HN 133 0.525 0.013 0.527 19282 31 1 6 "Average Difference" N 133 3.017 -0.107 3.026 19282 32 1 6 "Average Difference" HA 146 0.337 -0.008 0.338 19282 33 1 6 "Average Difference" C 137 1.039 0.005 1.043 19282 34 1 6 "Average Difference" CA 137 1.419 -0.187 1.411 19282 35 1 6 "Average Difference" CB 128 3.220 -0.848 3.118 19282 36 1 6 "Average Difference" HN 133 0.529 -0.017 0.531 19282 37 1 7 "Average Difference" N 133 2.759 0.127 2.767 19282 38 1 7 "Average Difference" HA 146 0.359 -0.010 0.360 19282 39 1 7 "Average Difference" C 137 1.048 0.017 1.052 19282 40 1 7 "Average Difference" CA 137 1.386 -0.159 1.382 19282 41 1 7 "Average Difference" CB 128 3.205 -0.807 3.114 19282 42 1 7 "Average Difference" HN 133 0.494 -0.009 0.495 19282 43 1 8 "Average Difference" N 133 3.023 -0.091 3.033 19282 44 1 8 "Average Difference" HA 146 0.341 -0.002 0.343 19282 45 1 8 "Average Difference" C 137 1.058 -0.032 1.061 19282 46 1 8 "Average Difference" CA 137 1.375 -0.161 1.370 19282 47 1 8 "Average Difference" CB 128 3.184 -0.929 3.057 19282 48 1 8 "Average Difference" HN 133 0.563 0.012 0.565 19282 49 1 9 "Average Difference" N 133 2.907 -0.083 2.917 19282 50 1 9 "Average Difference" HA 146 0.345 -0.005 0.347 19282 51 1 9 "Average Difference" C 137 1.004 0.069 1.005 19282 52 1 9 "Average Difference" CA 137 1.390 -0.122 1.390 19282 53 1 9 "Average Difference" CB 128 3.238 -0.836 3.141 19282 54 1 9 "Average Difference" HN 133 0.485 0.026 0.486 19282 55 1 10 "Average Difference" N 133 2.825 0.111 2.834 19282 56 1 10 "Average Difference" HA 146 0.333 0.003 0.334 19282 57 1 10 "Average Difference" C 137 1.071 -0.027 1.075 19282 58 1 10 "Average Difference" CA 137 1.342 -0.165 1.337 19282 59 1 10 "Average Difference" CB 128 3.255 -0.864 3.150 19282 60 1 10 "Average Difference" HN 133 0.539 0.007 0.541 19282 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 19282 _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 ALA HA H 2 4.384 4.384 4.506 -0.122 19282 2 1 . 1 1 2 2 ALA C C 2 177.184 177.184 176.831 0.353 19282 3 1 . 1 1 2 2 ALA CA C 2 52.459 52.459 51.787 0.671 19282 4 1 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.818 -0.330 19282 5 1 . 1 1 3 3 LYS N N 3 120.996 120.996 121.773 -0.777 19282 6 1 . 1 1 3 3 LYS HA H 3 4.319 4.319 4.204 0.115 19282 7 1 . 1 1 3 3 LYS C C 3 176.038 176.038 175.545 0.493 19282 8 1 . 1 1 3 3 LYS CA C 3 56.188 56.188 57.119 -0.931 19282 9 1 . 1 1 3 3 LYS CB C 3 33.261 33.261 32.904 0.357 19282 10 1 . 1 1 3 3 LYS H H 3 8.272 8.272 8.341 -0.069 19282 11 1 . 1 1 4 4 LEU N N 4 124.847 124.847 121.344 3.503 19282 12 1 . 1 1 4 4 LEU HA H 4 4.396 4.396 4.511 -0.115 19282 13 1 . 1 1 4 4 LEU C C 4 175.745 175.745 175.975 -0.230 19282 14 1 . 1 1 4 4 LEU CA C 4 54.792 54.792 53.443 1.349 19282 15 1 . 1 1 4 4 LEU CB C 4 42.683 42.683 44.007 -1.324 19282 16 1 . 1 1 4 4 LEU H H 4 8.247 8.247 7.992 0.255 19282 17 1 . 1 1 5 5 GLU N N 5 120.599 120.599 118.645 1.954 19282 18 1 . 1 1 5 5 GLU HA H 5 4.519 4.519 4.538 -0.019 19282 19 1 . 1 1 5 5 GLU C C 5 176.076 176.076 175.657 0.419 19282 20 1 . 1 1 5 5 GLU CA C 5 54.997 54.997 55.581 -0.584 19282 21 1 . 1 1 5 5 GLU CB C 5 32.353 32.353 31.085 1.268 19282 22 1 . 1 1 5 5 GLU H H 5 8.093 8.093 8.331 -0.238 19282 23 1 . 1 1 6 6 CYS N N 6 120.079 120.079 119.283 0.796 19282 24 1 . 1 1 6 6 CYS HA H 6 4.736 4.736 4.774 -0.038 19282 25 1 . 1 1 6 6 CYS C C 6 172.237 172.237 172.547 -0.310 19282 26 1 . 1 1 6 6 CYS CA C 6 53.218 53.218 55.492 -2.274 19282 27 1 . 1 1 6 6 CYS CB C 6 37.445 37.445 27.339 10.106 19282 28 1 . 1 1 6 6 CYS H H 6 8.750 8.750 8.388 0.362 19282 29 1 . 1 1 7 7 PRO HA H 7 4.349 4.349 4.462 -0.113 19282 30 1 . 1 1 7 7 PRO C C 7 176.014 176.014 177.831 -1.817 19282 31 1 . 1 1 7 7 PRO CA C 7 62.472 62.472 62.729 -0.257 19282 32 1 . 1 1 7 7 PRO CB C 7 31.201 31.201 32.241 -1.040 19282 33 1 . 1 1 8 8 GLN N N 8 120.940 120.940 119.392 1.548 19282 34 1 . 1 1 8 8 GLN HA H 8 4.108 4.108 4.043 0.065 19282 35 1 . 1 1 8 8 GLN C C 8 176.701 176.701 176.092 0.609 19282 36 1 . 1 1 8 8 GLN CA C 8 58.086 58.086 58.475 -0.389 19282 37 1 . 1 1 8 8 GLN CB C 8 28.843 28.843 28.559 0.284 19282 38 1 . 1 1 8 8 GLN H H 8 8.443 8.443 8.703 -0.260 19282 39 1 . 1 1 9 9 ASP N N 9 116.982 116.982 118.435 -1.453 19282 40 1 . 1 1 9 9 ASP HA H 9 4.516 4.516 4.737 -0.221 19282 41 1 . 1 1 9 9 ASP C C 9 176.201 176.201 175.595 0.606 19282 42 1 . 1 1 9 9 ASP CA C 9 56.613 56.613 54.763 1.850 19282 43 1 . 1 1 9 9 ASP CB C 9 39.412 39.412 40.737 -1.325 19282 44 1 . 1 1 9 9 ASP H H 9 9.023 9.023 8.457 0.566 19282 45 1 . 1 1 10 10 TRP N N 10 121.568 121.568 118.546 3.022 19282 46 1 . 1 1 10 10 TRP HA H 10 5.063 5.063 5.081 -0.018 19282 47 1 . 1 1 10 10 TRP C C 10 175.997 175.997 176.435 -0.438 19282 48 1 . 1 1 10 10 TRP CA C 10 57.664 57.664 56.320 1.344 19282 49 1 . 1 1 10 10 TRP CB C 10 29.075 29.075 30.963 -1.888 19282 50 1 . 1 1 10 10 TRP H H 10 8.440 8.440 7.725 0.715 19282 51 1 . 1 1 11 11 LEU N N 11 123.195 123.195 124.700 -1.505 19282 52 1 . 1 1 11 11 LEU HA H 11 4.764 4.764 4.733 0.031 19282 53 1 . 1 1 11 11 LEU C C 11 176.837 176.837 176.709 0.128 19282 54 1 . 1 1 11 11 LEU CA C 11 54.607 54.607 53.845 0.762 19282 55 1 . 1 1 11 11 LEU CB C 11 44.386 44.386 42.019 2.367 19282 56 1 . 1 1 11 11 LEU H H 11 9.613 9.613 9.292 0.322 19282 57 1 . 1 1 12 12 SER N N 12 116.705 116.705 121.081 -4.376 19282 58 1 . 1 1 12 12 SER HA H 12 5.389 5.389 4.590 0.799 19282 59 1 . 1 1 12 12 SER C C 12 174.164 174.164 173.798 0.366 19282 60 1 . 1 1 12 12 SER CA C 12 57.066 57.066 58.097 -1.031 19282 61 1 . 1 1 12 12 SER CB C 12 65.488 65.488 63.547 1.941 19282 62 1 . 1 1 12 12 SER H H 12 8.733 8.733 8.722 0.011 19282 63 1 . 1 1 13 13 HIS N N 13 123.615 123.615 127.039 -3.424 19282 64 1 . 1 1 13 13 HIS HA H 13 4.305 4.305 4.422 -0.117 19282 65 1 . 1 1 13 13 HIS C C 13 173.536 173.536 174.229 -0.693 19282 66 1 . 1 1 13 13 HIS CA C 13 57.277 57.277 55.479 1.797 19282 67 1 . 1 1 13 13 HIS CB C 13 31.952 31.952 31.321 0.632 19282 68 1 . 1 1 13 13 HIS H H 13 8.303 8.303 8.682 -0.379 19282 69 1 . 1 1 14 14 ARG N N 14 125.609 125.609 124.561 1.048 19282 70 1 . 1 1 14 14 ARG HA H 14 3.522 3.522 3.628 -0.106 19282 71 1 . 1 1 14 14 ARG C C 14 175.434 175.434 175.598 -0.164 19282 72 1 . 1 1 14 14 ARG CA C 14 58.414 58.414 58.959 -0.545 19282 73 1 . 1 1 14 14 ARG CB C 14 27.782 27.782 28.583 -0.801 19282 74 1 . 1 1 14 14 ARG H H 14 8.858 8.858 8.718 0.140 19282 75 1 . 1 1 15 15 ASP HA H 15 4.763 4.763 4.760 0.003 19282 76 1 . 1 1 15 15 ASP C C 15 174.250 174.250 174.772 -0.522 19282 77 1 . 1 1 15 15 ASP CA C 15 54.485 54.485 53.097 1.388 19282 78 1 . 1 1 15 15 ASP CB C 15 40.448 40.448 41.804 -1.356 19282 79 1 . 1 1 16 16 LYS N N 16 118.266 118.266 118.389 -0.123 19282 80 1 . 1 1 16 16 LYS HA H 16 5.016 5.016 4.867 0.149 19282 81 1 . 1 1 16 16 LYS C C 16 175.472 175.472 173.935 1.537 19282 82 1 . 1 1 16 16 LYS CA C 16 55.564 55.564 54.874 0.690 19282 83 1 . 1 1 16 16 LYS CB C 16 38.305 38.305 37.253 1.052 19282 84 1 . 1 1 16 16 LYS H H 16 8.289 8.289 7.883 0.406 19282 85 1 . 1 1 17 17 CYS N N 17 118.232 118.232 118.716 -0.484 19282 86 1 . 1 1 17 17 CYS HA H 17 5.934 5.934 5.139 0.795 19282 87 1 . 1 1 17 17 CYS C C 17 174.859 174.859 173.351 1.508 19282 88 1 . 1 1 17 17 CYS CA C 17 52.547 52.547 57.659 -5.112 19282 89 1 . 1 1 17 17 CYS CB C 17 43.197 43.197 29.312 13.885 19282 90 1 . 1 1 17 17 CYS H H 17 8.492 8.492 8.400 0.092 19282 91 1 . 1 1 18 18 PHE N N 18 121.121 121.121 123.770 -2.649 19282 92 1 . 1 1 18 18 PHE HA H 18 6.246 6.246 5.726 0.520 19282 93 1 . 1 1 18 18 PHE C C 18 174.238 174.238 174.917 -0.679 19282 94 1 . 1 1 18 18 PHE CA C 18 56.427 56.427 54.964 1.462 19282 95 1 . 1 1 18 18 PHE CB C 18 43.190 43.190 42.360 0.830 19282 96 1 . 1 1 18 18 PHE H H 18 10.029 10.029 9.304 0.725 19282 97 1 . 1 1 19 19 HIS N N 19 122.393 122.393 120.486 1.907 19282 98 1 . 1 1 19 19 HIS HA H 19 4.363 4.363 4.579 -0.216 19282 99 1 . 1 1 19 19 HIS C C 19 172.933 172.933 172.807 0.126 19282 100 1 . 1 1 19 19 HIS CA C 19 55.082 55.082 54.783 0.299 19282 101 1 . 1 1 19 19 HIS CB C 19 30.399 30.399 32.316 -1.917 19282 102 1 . 1 1 19 19 HIS H H 19 8.624 8.624 9.242 -0.618 19282 103 1 . 1 1 20 20 VAL N N 20 128.351 128.351 128.723 -0.372 19282 104 1 . 1 1 20 20 VAL HA H 20 4.191 4.191 3.855 0.336 19282 105 1 . 1 1 20 20 VAL C C 20 174.971 174.971 174.937 0.034 19282 106 1 . 1 1 20 20 VAL CA C 20 61.049 61.049 61.983 -0.934 19282 107 1 . 1 1 20 20 VAL CB C 20 32.109 32.109 30.974 1.135 19282 108 1 . 1 1 20 20 VAL H H 20 7.880 7.880 8.231 -0.351 19282 109 1 . 1 1 21 21 SER N N 21 123.985 123.985 124.510 -0.525 19282 110 1 . 1 1 21 21 SER HA H 21 3.904 3.904 4.125 -0.221 19282 111 1 . 1 1 21 21 SER C C 21 173.842 173.842 174.374 -0.532 19282 112 1 . 1 1 21 21 SER CA C 21 59.417 59.417 58.049 1.368 19282 113 1 . 1 1 21 21 SER CB C 21 62.993 62.993 62.593 0.400 19282 114 1 . 1 1 21 21 SER H H 21 8.802 8.802 8.232 0.570 19282 115 1 . 1 1 22 22 GLN N N 22 118.390 118.390 124.548 -6.158 19282 116 1 . 1 1 22 22 GLN HA H 22 4.273 4.273 4.319 -0.046 19282 117 1 . 1 1 22 22 GLN C C 22 175.650 175.650 174.715 0.935 19282 118 1 . 1 1 22 22 GLN CA C 22 55.726 55.726 55.608 0.118 19282 119 1 . 1 1 22 22 GLN CB C 22 30.042 30.042 28.520 1.522 19282 120 1 . 1 1 22 22 GLN H H 22 8.866 8.866 8.528 0.338 19282 121 1 . 1 1 23 23 VAL N N 23 113.258 113.258 112.854 0.404 19282 122 1 . 1 1 23 23 VAL HA H 23 4.314 4.314 4.428 -0.115 19282 123 1 . 1 1 23 23 VAL C C 23 172.691 172.691 175.103 -2.412 19282 124 1 . 1 1 23 23 VAL CA C 23 59.786 59.786 59.319 0.467 19282 125 1 . 1 1 23 23 VAL CB C 23 34.368 34.368 33.723 0.645 19282 126 1 . 1 1 23 23 VAL H H 23 6.897 6.897 7.156 -0.259 19282 127 1 . 1 1 24 24 SER N N 24 115.205 115.205 119.025 -3.820 19282 128 1 . 1 1 24 24 SER HA H 24 4.894 4.894 5.331 -0.437 19282 129 1 . 1 1 24 24 SER C C 24 173.846 173.846 174.003 -0.157 19282 130 1 . 1 1 24 24 SER CA C 24 56.040 56.040 58.153 -2.113 19282 131 1 . 1 1 24 24 SER CB C 24 65.361 65.361 65.073 0.288 19282 132 1 . 1 1 24 24 SER H H 24 8.125 8.125 8.479 -0.354 19282 133 1 . 1 1 25 25 ASN N N 25 122.669 122.669 120.499 2.170 19282 134 1 . 1 1 25 25 ASN HA H 25 5.088 5.088 5.204 -0.116 19282 135 1 . 1 1 25 25 ASN C C 25 175.285 175.285 174.097 1.188 19282 136 1 . 1 1 25 25 ASN CA C 25 53.030 53.030 52.214 0.817 19282 137 1 . 1 1 25 25 ASN CB C 25 41.535 41.535 42.771 -1.236 19282 138 1 . 1 1 25 25 ASN H H 25 9.854 9.854 9.487 0.367 19282 139 1 . 1 1 26 26 THR N N 26 113.569 113.569 112.301 1.268 19282 140 1 . 1 1 26 26 THR HA H 26 5.520 5.520 5.345 0.175 19282 141 1 . 1 1 26 26 THR C C 26 174.350 174.350 175.852 -1.502 19282 142 1 . 1 1 26 26 THR CA C 26 61.930 61.930 61.061 0.869 19282 143 1 . 1 1 26 26 THR CB C 26 70.719 70.719 70.313 0.406 19282 144 1 . 1 1 26 26 THR H H 26 9.718 9.718 8.652 1.066 19282 145 1 . 1 1 27 27 TRP N N 27 121.857 121.857 123.252 -1.395 19282 146 1 . 1 1 27 27 TRP HA H 27 2.617 2.617 3.226 -0.608 19282 147 1 . 1 1 27 27 TRP C C 27 177.624 177.624 177.359 0.265 19282 148 1 . 1 1 27 27 TRP CA C 27 62.651 62.651 62.158 0.493 19282 149 1 . 1 1 27 27 TRP CB C 27 30.428 30.428 29.037 1.391 19282 150 1 . 1 1 27 27 TRP H H 27 7.836 7.836 8.457 -0.621 19282 151 1 . 1 1 28 28 GLU N N 28 114.949 114.949 116.726 -1.777 19282 152 1 . 1 1 28 28 GLU HA H 28 3.708 3.708 3.626 0.082 19282 153 1 . 1 1 28 28 GLU C C 28 178.928 178.928 178.768 0.160 19282 154 1 . 1 1 28 28 GLU CA C 28 59.589 59.589 59.428 0.161 19282 155 1 . 1 1 28 28 GLU CB C 28 29.480 29.480 29.002 0.478 19282 156 1 . 1 1 28 28 GLU H H 28 8.827 8.827 8.503 0.324 19282 157 1 . 1 1 29 29 GLU N N 29 118.462 118.462 120.079 -1.617 19282 158 1 . 1 1 29 29 GLU HA H 29 3.926 3.926 3.923 0.002 19282 159 1 . 1 1 29 29 GLU C C 29 179.587 179.587 178.904 0.683 19282 160 1 . 1 1 29 29 GLU CA C 29 58.569 58.569 58.666 -0.097 19282 161 1 . 1 1 29 29 GLU CB C 29 28.133 28.133 29.155 -1.022 19282 162 1 . 1 1 29 29 GLU H H 29 7.259 7.259 7.601 -0.342 19282 163 1 . 1 1 30 30 GLY N N 30 112.186 112.186 107.547 4.639 19282 164 1 . 1 1 30 30 GLY C C 30 173.516 173.516 175.458 -1.942 19282 165 1 . 1 1 30 30 GLY CA C 30 45.742 45.742 45.928 -0.186 19282 166 1 . 1 1 30 30 GLY H H 30 7.871 7.871 8.024 -0.153 19282 167 1 . 1 1 31 31 LEU N N 31 122.216 122.216 122.838 -0.622 19282 168 1 . 1 1 31 31 LEU HA H 31 3.345 3.345 3.752 -0.407 19282 169 1 . 1 1 31 31 LEU C C 31 179.828 179.828 178.443 1.385 19282 170 1 . 1 1 31 31 LEU CA C 31 58.955 58.955 57.446 1.509 19282 171 1 . 1 1 31 31 LEU CB C 31 41.475 41.475 41.412 0.063 19282 172 1 . 1 1 31 31 LEU H H 31 7.610 7.610 7.460 0.150 19282 173 1 . 1 1 32 32 VAL N N 32 118.301 118.301 118.555 -0.254 19282 174 1 . 1 1 32 32 VAL HA H 32 3.651 3.651 3.608 0.043 19282 175 1 . 1 1 32 32 VAL C C 32 179.041 179.041 178.271 0.770 19282 176 1 . 1 1 32 32 VAL CA C 32 65.867 65.867 66.190 -0.323 19282 177 1 . 1 1 32 32 VAL CB C 32 31.976 31.976 31.205 0.771 19282 178 1 . 1 1 32 32 VAL H H 32 7.571 7.571 7.549 0.022 19282 179 1 . 1 1 33 33 ASP N N 33 123.085 123.085 120.562 2.523 19282 180 1 . 1 1 33 33 ASP HA H 33 4.377 4.377 4.405 -0.028 19282 181 1 . 1 1 33 33 ASP C C 33 179.766 179.766 178.620 1.146 19282 182 1 . 1 1 33 33 ASP CA C 33 58.137 58.137 58.040 0.097 19282 183 1 . 1 1 33 33 ASP CB C 33 43.435 43.435 40.810 2.625 19282 184 1 . 1 1 33 33 ASP H H 33 7.924 7.924 7.926 -0.002 19282 185 1 . 1 1 34 34 CYS N N 34 115.181 115.181 117.455 -2.274 19282 186 1 . 1 1 34 34 CYS HA H 34 4.504 4.504 4.476 0.028 19282 187 1 . 1 1 34 34 CYS C C 34 177.697 177.697 177.261 0.436 19282 188 1 . 1 1 34 34 CYS CA C 34 56.070 56.070 61.304 -5.234 19282 189 1 . 1 1 34 34 CYS CB C 34 34.421 34.421 26.355 8.066 19282 190 1 . 1 1 34 34 CYS H H 34 8.486 8.486 7.952 0.534 19282 191 1 . 1 1 35 35 ASP N N 35 123.300 123.300 121.150 2.150 19282 192 1 . 1 1 35 35 ASP HA H 35 4.754 4.754 4.673 0.081 19282 193 1 . 1 1 35 35 ASP C C 35 180.457 180.457 179.320 1.137 19282 194 1 . 1 1 35 35 ASP CA C 35 58.270 58.270 57.666 0.604 19282 195 1 . 1 1 35 35 ASP CB C 35 42.143 42.143 40.333 1.810 19282 196 1 . 1 1 35 35 ASP H H 35 8.458 8.458 8.070 0.388 19282 197 1 . 1 1 36 36 GLY N N 36 107.140 107.140 108.692 -1.552 19282 198 1 . 1 1 36 36 GLY C C 36 175.345 175.345 175.484 -0.139 19282 199 1 . 1 1 36 36 GLY CA C 36 46.876 46.876 46.867 0.009 19282 200 1 . 1 1 36 36 GLY H H 36 8.281 8.281 8.034 0.247 19282 201 1 . 1 1 37 37 LYS N N 37 119.450 119.450 119.843 -0.393 19282 202 1 . 1 1 37 37 LYS HA H 37 4.546 4.546 4.513 0.033 19282 203 1 . 1 1 37 37 LYS C C 37 176.415 176.415 176.009 0.406 19282 204 1 . 1 1 37 37 LYS CA C 37 55.830 55.830 54.628 1.202 19282 205 1 . 1 1 37 37 LYS CB C 37 33.754 33.754 32.490 1.264 19282 206 1 . 1 1 37 37 LYS H H 37 7.587 7.587 7.625 -0.038 19282 207 1 . 1 1 38 38 GLY N N 38 109.781 109.781 107.110 2.671 19282 208 1 . 1 1 38 38 GLY C C 38 174.144 174.144 173.471 0.673 19282 209 1 . 1 1 38 38 GLY CA C 38 46.791 46.791 45.433 1.358 19282 210 1 . 1 1 38 38 GLY H H 38 8.205 8.205 7.955 0.250 19282 211 1 . 1 1 39 39 ALA N N 39 123.317 123.317 121.395 1.922 19282 212 1 . 1 1 39 39 ALA HA H 39 5.116 5.116 5.210 -0.094 19282 213 1 . 1 1 39 39 ALA C C 39 174.817 174.817 175.499 -0.681 19282 214 1 . 1 1 39 39 ALA CA C 39 50.174 50.174 50.628 -0.454 19282 215 1 . 1 1 39 39 ALA CB C 39 24.153 24.153 21.789 2.364 19282 216 1 . 1 1 39 39 ALA H H 39 8.107 8.107 7.702 0.405 19282 217 1 . 1 1 40 40 THR N N 40 108.747 108.747 110.809 -2.062 19282 218 1 . 1 1 40 40 THR HA H 40 5.080 5.080 4.733 0.347 19282 219 1 . 1 1 40 40 THR C C 40 175.723 175.723 173.843 1.880 19282 220 1 . 1 1 40 40 THR CA C 40 60.173 60.173 59.625 0.548 19282 221 1 . 1 1 40 40 THR CB C 40 72.452 72.452 71.753 0.699 19282 222 1 . 1 1 40 40 THR H H 40 8.566 8.566 8.984 -0.418 19282 223 1 . 1 1 41 41 LEU N N 41 123.750 123.750 124.374 -0.625 19282 224 1 . 1 1 41 41 LEU HA H 41 5.054 5.054 4.535 0.519 19282 225 1 . 1 1 41 41 LEU C C 41 177.800 177.800 177.317 0.483 19282 226 1 . 1 1 41 41 LEU CA C 41 56.676 56.676 55.397 1.279 19282 227 1 . 1 1 41 41 LEU CB C 41 44.624 44.624 42.915 1.709 19282 228 1 . 1 1 41 41 LEU H H 41 7.791 7.791 8.648 -0.857 19282 229 1 . 1 1 42 42 MET N N 42 116.452 116.452 127.627 -11.175 19282 230 1 . 1 1 42 42 MET HA H 42 4.098 4.098 4.342 -0.244 19282 231 1 . 1 1 42 42 MET C C 42 174.097 174.097 174.551 -0.454 19282 232 1 . 1 1 42 42 MET CA C 42 57.887 57.887 56.054 1.833 19282 233 1 . 1 1 42 42 MET CB C 42 34.299 34.299 32.184 2.115 19282 234 1 . 1 1 42 42 MET H H 42 7.983 7.983 9.007 -1.024 19282 235 1 . 1 1 43 43 LEU N N 43 128.106 128.106 128.365 -0.259 19282 236 1 . 1 1 43 43 LEU HA H 43 4.517 4.517 3.907 0.610 19282 237 1 . 1 1 43 43 LEU C C 43 174.928 174.928 174.998 -0.070 19282 238 1 . 1 1 43 43 LEU CA C 43 53.533 53.533 52.474 1.059 19282 239 1 . 1 1 43 43 LEU CB C 43 42.828 42.828 41.145 1.683 19282 240 1 . 1 1 43 43 LEU H H 43 8.078 8.078 8.531 -0.453 19282 241 1 . 1 1 44 44 ILE N N 44 118.686 118.686 123.398 -4.712 19282 242 1 . 1 1 44 44 ILE HA H 44 4.202 4.202 3.993 0.209 19282 243 1 . 1 1 44 44 ILE C C 44 175.736 175.736 175.734 0.002 19282 244 1 . 1 1 44 44 ILE CA C 44 61.051 61.051 61.699 -0.648 19282 245 1 . 1 1 44 44 ILE CB C 44 38.168 38.168 38.278 -0.110 19282 246 1 . 1 1 44 44 ILE H H 44 5.273 5.273 7.527 -2.254 19282 247 1 . 1 1 45 45 GLN N N 45 127.754 127.754 126.102 1.652 19282 248 1 . 1 1 45 45 GLN HA H 45 4.179 4.179 4.308 -0.129 19282 249 1 . 1 1 45 45 GLN C C 45 175.402 175.402 175.216 0.186 19282 250 1 . 1 1 45 45 GLN CA C 45 57.103 57.103 56.787 0.316 19282 251 1 . 1 1 45 45 GLN CB C 45 30.833 30.833 30.498 0.335 19282 252 1 . 1 1 45 45 GLN H H 45 9.722 9.722 8.787 0.935 19282 253 1 . 1 1 46 46 ASP N N 46 114.490 114.490 115.061 -0.571 19282 254 1 . 1 1 46 46 ASP HA H 46 4.644 4.644 4.806 -0.162 19282 255 1 . 1 1 46 46 ASP C C 46 175.286 175.286 175.678 -0.392 19282 256 1 . 1 1 46 46 ASP CA C 46 53.256 53.256 52.958 0.298 19282 257 1 . 1 1 46 46 ASP CB C 46 42.752 42.752 42.827 -0.075 19282 258 1 . 1 1 46 46 ASP H H 46 7.545 7.545 7.679 -0.134 19282 259 1 . 1 1 47 47 GLN N N 47 118.745 118.745 119.527 -0.782 19282 260 1 . 1 1 47 47 GLN HA H 47 4.003 4.003 4.154 -0.151 19282 261 1 . 1 1 47 47 GLN C C 47 177.858 177.858 177.755 0.103 19282 262 1 . 1 1 47 47 GLN CA C 47 58.995 58.995 58.916 0.079 19282 263 1 . 1 1 47 47 GLN CB C 47 28.468 28.468 28.975 -0.507 19282 264 1 . 1 1 47 47 GLN H H 47 8.954 8.954 8.744 0.210 19282 265 1 . 1 1 48 48 GLU N N 48 121.721 121.721 119.297 2.424 19282 266 1 . 1 1 48 48 GLU HA H 48 4.082 4.082 4.081 0.002 19282 267 1 . 1 1 48 48 GLU C C 48 179.073 179.073 178.953 0.120 19282 268 1 . 1 1 48 48 GLU CA C 48 59.950 59.950 59.559 0.391 19282 269 1 . 1 1 48 48 GLU CB C 48 28.747 28.747 29.322 -0.576 19282 270 1 . 1 1 48 48 GLU H H 48 8.532 8.532 8.652 -0.120 19282 271 1 . 1 1 49 49 GLU N N 49 120.709 120.709 119.601 1.108 19282 272 1 . 1 1 49 49 GLU HA H 49 3.776 3.776 4.186 -0.410 19282 273 1 . 1 1 49 49 GLU C C 49 177.707 177.707 179.069 -1.362 19282 274 1 . 1 1 49 49 GLU CA C 49 59.829 59.829 59.205 0.624 19282 275 1 . 1 1 49 49 GLU CB C 49 30.627 30.627 29.317 1.310 19282 276 1 . 1 1 49 49 GLU H H 49 8.336 8.336 7.927 0.409 19282 277 1 . 1 1 50 50 LEU N N 50 118.070 118.070 119.114 -1.044 19282 278 1 . 1 1 50 50 LEU HA H 50 3.937 3.937 3.933 0.004 19282 279 1 . 1 1 50 50 LEU C C 50 177.342 177.342 178.906 -1.564 19282 280 1 . 1 1 50 50 LEU CA C 50 58.275 58.275 57.781 0.494 19282 281 1 . 1 1 50 50 LEU CB C 50 41.705 41.705 41.429 0.276 19282 282 1 . 1 1 50 50 LEU H H 50 7.175 7.175 7.498 -0.324 19282 283 1 . 1 1 51 51 ARG N N 51 117.898 117.898 119.519 -1.621 19282 284 1 . 1 1 51 51 ARG HA H 51 3.807 3.807 3.999 -0.192 19282 285 1 . 1 1 51 51 ARG C C 51 177.876 177.876 178.602 -0.725 19282 286 1 . 1 1 51 51 ARG CA C 51 59.373 59.373 58.880 0.493 19282 287 1 . 1 1 51 51 ARG CB C 51 29.928 29.928 29.533 0.395 19282 288 1 . 1 1 51 51 ARG H H 51 8.135 8.135 8.388 -0.253 19282 289 1 . 1 1 52 52 PHE N N 52 118.865 118.865 121.232 -2.367 19282 290 1 . 1 1 52 52 PHE HA H 52 4.128 4.128 4.449 -0.321 19282 291 1 . 1 1 52 52 PHE C C 52 178.379 178.379 177.443 0.936 19282 292 1 . 1 1 52 52 PHE CA C 52 61.280 61.280 60.457 0.823 19282 293 1 . 1 1 52 52 PHE CB C 52 38.514 38.514 39.181 -0.667 19282 294 1 . 1 1 52 52 PHE H H 52 8.003 8.003 7.966 0.037 19282 295 1 . 1 1 53 53 LEU N N 53 122.451 122.451 122.101 0.350 19282 296 1 . 1 1 53 53 LEU HA H 53 3.404 3.404 3.841 -0.437 19282 297 1 . 1 1 53 53 LEU C C 53 178.870 178.870 179.014 -0.144 19282 298 1 . 1 1 53 53 LEU CA C 53 57.296 57.296 57.666 -0.370 19282 299 1 . 1 1 53 53 LEU CB C 53 41.331 41.331 40.859 0.472 19282 300 1 . 1 1 53 53 LEU H H 53 7.824 7.824 8.111 -0.287 19282 301 1 . 1 1 54 54 LEU N N 54 117.828 117.828 119.083 -1.255 19282 302 1 . 1 1 54 54 LEU HA H 54 3.787 3.787 3.770 0.017 19282 303 1 . 1 1 54 54 LEU C C 54 179.783 179.783 179.385 0.398 19282 304 1 . 1 1 54 54 LEU CA C 54 57.933 57.933 58.129 -0.196 19282 305 1 . 1 1 54 54 LEU CB C 54 40.931 40.931 40.960 -0.029 19282 306 1 . 1 1 54 54 LEU H H 54 8.361 8.361 8.580 -0.219 19282 307 1 . 1 1 55 55 ASP N N 55 116.846 116.846 118.409 -1.562 19282 308 1 . 1 1 55 55 ASP HA H 55 4.377 4.377 4.312 0.065 19282 309 1 . 1 1 55 55 ASP C C 55 177.824 177.824 177.776 0.048 19282 310 1 . 1 1 55 55 ASP CA C 55 56.232 56.232 57.011 -0.780 19282 311 1 . 1 1 55 55 ASP CB C 55 40.833 40.833 40.515 0.318 19282 312 1 . 1 1 55 55 ASP H H 55 7.933 7.933 7.854 0.079 19282 313 1 . 1 1 56 56 SER N N 56 114.399 114.399 114.513 -0.114 19282 314 1 . 1 1 56 56 SER HA H 56 4.122 4.122 4.180 -0.058 19282 315 1 . 1 1 56 56 SER C C 56 174.277 174.277 176.276 -1.999 19282 316 1 . 1 1 56 56 SER CA C 56 60.677 60.677 60.103 0.573 19282 317 1 . 1 1 56 56 SER CB C 56 63.675 63.675 63.934 -0.259 19282 318 1 . 1 1 56 56 SER H H 56 7.441 7.441 7.479 -0.038 19282 319 1 . 1 1 57 57 ILE N N 57 121.159 121.159 122.163 -1.004 19282 320 1 . 1 1 57 57 ILE HA H 57 3.797 3.797 3.580 0.217 19282 321 1 . 1 1 57 57 ILE C C 57 175.873 175.873 177.425 -1.552 19282 322 1 . 1 1 57 57 ILE CA C 57 61.811 61.811 62.752 -0.941 19282 323 1 . 1 1 57 57 ILE CB C 57 38.566 38.566 37.439 1.127 19282 324 1 . 1 1 57 57 ILE H H 57 7.378 7.378 8.270 -0.892 19282 325 1 . 1 1 58 58 LYS N N 58 124.292 124.292 117.743 6.549 19282 326 1 . 1 1 58 58 LYS HA H 58 4.164 4.164 3.770 0.394 19282 327 1 . 1 1 58 58 LYS C C 58 177.266 177.266 177.443 -0.177 19282 328 1 . 1 1 58 58 LYS CA C 58 57.324 57.324 58.866 -1.542 19282 329 1 . 1 1 58 58 LYS CB C 58 32.290 32.290 30.258 2.032 19282 330 1 . 1 1 58 58 LYS H H 58 8.218 8.218 7.825 0.393 19282 331 1 . 1 1 59 59 GLU N N 59 119.807 119.807 119.471 0.336 19282 332 1 . 1 1 59 59 GLU HA H 59 4.351 4.351 4.125 0.226 19282 333 1 . 1 1 59 59 GLU C C 59 176.023 176.023 177.810 -1.787 19282 334 1 . 1 1 59 59 GLU CA C 59 55.914 55.914 58.568 -2.654 19282 335 1 . 1 1 59 59 GLU CB C 59 28.831 28.831 29.978 -1.147 19282 336 1 . 1 1 59 59 GLU H H 59 7.761 7.761 8.313 -0.552 19282 337 1 . 1 1 60 60 LYS N N 60 120.606 120.606 112.918 7.688 19282 338 1 . 1 1 60 60 LYS HA H 60 4.157 4.157 3.971 0.186 19282 339 1 . 1 1 60 60 LYS C C 60 176.229 176.229 176.387 -0.158 19282 340 1 . 1 1 60 60 LYS CA C 60 57.008 57.008 58.398 -1.390 19282 341 1 . 1 1 60 60 LYS CB C 60 32.431 32.431 30.487 1.944 19282 342 1 . 1 1 60 60 LYS H H 60 8.051 8.051 8.544 -0.493 19282 343 1 . 1 1 61 61 TYR N N 61 115.876 115.876 118.004 -2.128 19282 344 1 . 1 1 61 61 TYR HA H 61 4.594 4.594 4.420 0.174 19282 345 1 . 1 1 61 61 TYR C C 61 175.714 175.714 175.489 0.225 19282 346 1 . 1 1 61 61 TYR CA C 61 57.110 57.110 58.215 -1.105 19282 347 1 . 1 1 61 61 TYR CB C 61 37.499 37.499 37.179 0.320 19282 348 1 . 1 1 61 61 TYR H H 61 7.756 7.756 7.823 -0.067 19282 349 1 . 1 1 62 62 ASN N N 62 118.634 118.634 116.371 2.263 19282 350 1 . 1 1 62 62 ASN HA H 62 4.730 4.730 4.699 0.031 19282 351 1 . 1 1 62 62 ASN C C 62 173.016 173.016 172.992 0.024 19282 352 1 . 1 1 62 62 ASN CA C 62 52.654 52.654 52.003 0.651 19282 353 1 . 1 1 62 62 ASN CB C 62 41.378 41.378 41.463 -0.085 19282 354 1 . 1 1 62 62 ASN H H 62 7.477 7.477 7.649 -0.172 19282 355 1 . 1 1 63 63 SER N N 63 115.211 115.211 114.701 0.510 19282 356 1 . 1 1 63 63 SER HA H 63 5.256 5.256 5.216 0.040 19282 357 1 . 1 1 63 63 SER C C 63 172.817 172.817 172.479 0.338 19282 358 1 . 1 1 63 63 SER CA C 63 57.506 57.506 57.329 0.177 19282 359 1 . 1 1 63 63 SER CB C 63 63.821 63.821 65.500 -1.679 19282 360 1 . 1 1 63 63 SER H H 63 8.107 8.107 7.846 0.261 19282 361 1 . 1 1 64 64 PHE N N 64 118.959 118.959 121.942 -2.982 19282 362 1 . 1 1 64 64 PHE HA H 64 4.588 4.588 5.026 -0.438 19282 363 1 . 1 1 64 64 PHE C C 64 175.495 175.495 175.449 0.046 19282 364 1 . 1 1 64 64 PHE CA C 64 55.442 55.442 55.866 -0.424 19282 365 1 . 1 1 64 64 PHE CB C 64 42.226 42.226 40.935 1.291 19282 366 1 . 1 1 64 64 PHE H H 64 8.735 8.735 8.680 0.055 19282 367 1 . 1 1 65 65 TRP N N 65 124.651 124.651 125.140 -0.489 19282 368 1 . 1 1 65 65 TRP HA H 65 5.743 5.743 4.985 0.758 19282 369 1 . 1 1 65 65 TRP C C 65 175.951 175.951 176.773 -0.822 19282 370 1 . 1 1 65 65 TRP CA C 65 58.078 58.078 58.311 -0.233 19282 371 1 . 1 1 65 65 TRP CB C 65 32.676 32.676 30.055 2.621 19282 372 1 . 1 1 65 65 TRP H H 65 10.282 10.282 9.140 1.142 19282 373 1 . 1 1 66 66 ILE N N 66 109.430 109.430 116.305 -6.875 19282 374 1 . 1 1 66 66 ILE HA H 66 5.274 5.274 5.143 0.131 19282 375 1 . 1 1 66 66 ILE C C 66 177.380 177.380 177.335 0.045 19282 376 1 . 1 1 66 66 ILE CA C 66 59.598 59.598 58.104 1.494 19282 377 1 . 1 1 66 66 ILE CB C 66 41.764 41.764 40.706 1.058 19282 378 1 . 1 1 66 66 ILE H H 66 8.443 8.443 8.777 -0.334 19282 379 1 . 1 1 67 67 GLY N N 67 111.319 111.319 109.930 1.389 19282 380 1 . 1 1 67 67 GLY C C 67 172.897 172.897 173.520 -0.622 19282 381 1 . 1 1 67 67 GLY CA C 67 49.995 49.995 45.959 4.036 19282 382 1 . 1 1 67 67 GLY H H 67 10.395 10.395 9.255 1.140 19282 383 1 . 1 1 68 68 LEU N N 68 127.499 127.499 122.411 5.088 19282 384 1 . 1 1 68 68 LEU HA H 68 4.884 4.884 4.526 0.358 19282 385 1 . 1 1 68 68 LEU C C 68 173.367 173.367 175.552 -2.185 19282 386 1 . 1 1 68 68 LEU CA C 68 54.637 54.637 53.964 0.673 19282 387 1 . 1 1 68 68 LEU CB C 68 46.081 46.081 42.885 3.196 19282 388 1 . 1 1 68 68 LEU H H 68 8.446 8.446 8.356 0.090 19282 389 1 . 1 1 69 69 ARG N N 69 124.432 124.432 122.134 2.298 19282 390 1 . 1 1 69 69 ARG HA H 69 4.910 4.910 4.663 0.247 19282 391 1 . 1 1 69 69 ARG C C 69 173.026 173.026 173.938 -0.912 19282 392 1 . 1 1 69 69 ARG CA C 69 55.478 55.478 53.770 1.709 19282 393 1 . 1 1 69 69 ARG CB C 69 34.344 34.344 33.172 1.172 19282 394 1 . 1 1 69 69 ARG H H 69 8.479 8.479 8.658 -0.178 19282 395 1 . 1 1 70 70 TYR N N 70 128.687 128.687 126.823 1.864 19282 396 1 . 1 1 70 70 TYR HA H 70 3.876 3.876 3.917 -0.041 19282 397 1 . 1 1 70 70 TYR C C 70 175.118 175.118 174.590 0.528 19282 398 1 . 1 1 70 70 TYR CA C 70 57.747 57.747 56.118 1.629 19282 399 1 . 1 1 70 70 TYR CB C 70 38.231 38.231 38.038 0.193 19282 400 1 . 1 1 70 70 TYR H H 70 7.936 7.936 8.074 -0.138 19282 401 1 . 1 1 71 71 THR N N 71 120.097 120.097 121.441 -1.344 19282 402 1 . 1 1 71 71 THR HA H 71 4.477 4.477 4.315 0.162 19282 403 1 . 1 1 71 71 THR C C 71 172.547 172.547 172.972 -0.425 19282 404 1 . 1 1 71 71 THR CA C 71 60.631 60.631 60.850 -0.219 19282 405 1 . 1 1 71 71 THR CB C 71 71.324 71.324 69.404 1.920 19282 406 1 . 1 1 71 71 THR H H 71 7.701 7.701 8.115 -0.414 19282 407 1 . 1 1 72 72 LEU N N 72 125.241 125.241 126.118 -0.877 19282 408 1 . 1 1 72 72 LEU HA H 72 4.266 4.266 4.662 -0.396 19282 409 1 . 1 1 72 72 LEU C C 72 175.916 175.916 174.988 0.928 19282 410 1 . 1 1 72 72 LEU CA C 72 52.874 52.874 51.657 1.217 19282 411 1 . 1 1 72 72 LEU CB C 72 41.820 41.820 43.278 -1.458 19282 412 1 . 1 1 72 72 LEU H H 72 8.487 8.487 8.331 0.156 19282 413 1 . 1 1 73 73 PRO HA H 73 4.409 4.409 4.601 -0.192 19282 414 1 . 1 1 73 73 PRO C C 73 176.278 176.278 175.401 0.877 19282 415 1 . 1 1 73 73 PRO CA C 73 63.549 63.549 62.593 0.956 19282 416 1 . 1 1 73 73 PRO CB C 73 34.136 34.136 32.596 1.540 19282 417 1 . 1 1 74 74 ASP N N 74 123.018 123.018 122.263 0.755 19282 418 1 . 1 1 74 74 ASP HA H 74 4.157 4.157 4.463 -0.306 19282 419 1 . 1 1 74 74 ASP C C 74 175.592 175.592 175.758 -0.166 19282 420 1 . 1 1 74 74 ASP CA C 74 56.528 56.528 54.505 2.023 19282 421 1 . 1 1 74 74 ASP CB C 74 39.688 39.688 41.977 -2.289 19282 422 1 . 1 1 74 74 ASP H H 74 8.716 8.716 8.098 0.618 19282 423 1 . 1 1 75 75 MET N N 75 113.361 113.361 115.444 -2.083 19282 424 1 . 1 1 75 75 MET HA H 75 3.319 3.319 3.647 -0.328 19282 425 1 . 1 1 75 75 MET C C 75 174.354 174.354 173.980 0.374 19282 426 1 . 1 1 75 75 MET CA C 75 56.042 56.042 56.709 -0.667 19282 427 1 . 1 1 75 75 MET CB C 75 29.181 29.181 30.445 -1.264 19282 428 1 . 1 1 75 75 MET H H 75 8.421 8.421 7.962 0.459 19282 429 1 . 1 1 76 76 ASN N N 76 112.997 112.997 115.136 -2.139 19282 430 1 . 1 1 76 76 ASN HA H 76 4.808 4.808 5.100 -0.291 19282 431 1 . 1 1 76 76 ASN C C 76 173.984 173.984 173.638 0.346 19282 432 1 . 1 1 76 76 ASN CA C 76 51.283 51.283 52.527 -1.244 19282 433 1 . 1 1 76 76 ASN CB C 76 41.823 41.823 42.156 -0.333 19282 434 1 . 1 1 76 76 ASN H H 76 6.883 6.883 7.529 -0.646 19282 435 1 . 1 1 77 77 TRP N N 77 122.857 122.857 121.420 1.437 19282 436 1 . 1 1 77 77 TRP HA H 77 4.534 4.534 5.135 -0.601 19282 437 1 . 1 1 77 77 TRP C C 77 175.329 175.329 175.859 -0.530 19282 438 1 . 1 1 77 77 TRP CA C 77 57.615 57.615 56.832 0.783 19282 439 1 . 1 1 77 77 TRP CB C 77 30.117 30.117 29.509 0.608 19282 440 1 . 1 1 77 77 TRP H H 77 8.766 8.766 9.051 -0.285 19282 441 1 . 1 1 78 78 LYS N N 78 121.731 121.731 121.313 0.418 19282 442 1 . 1 1 78 78 LYS HA H 78 4.969 4.969 4.930 0.038 19282 443 1 . 1 1 78 78 LYS C C 78 177.225 177.225 175.727 1.498 19282 444 1 . 1 1 78 78 LYS CA C 78 55.149 55.149 54.912 0.237 19282 445 1 . 1 1 78 78 LYS CB C 78 36.697 36.697 36.135 0.561 19282 446 1 . 1 1 78 78 LYS H H 78 8.584 8.584 8.380 0.204 19282 447 1 . 1 1 79 79 TRP N N 79 124.809 124.809 120.481 4.328 19282 448 1 . 1 1 79 79 TRP HA H 79 5.677 5.677 5.842 -0.165 19282 449 1 . 1 1 79 79 TRP C C 79 180.969 180.969 179.275 1.694 19282 450 1 . 1 1 79 79 TRP CA C 79 56.692 56.692 56.146 0.546 19282 451 1 . 1 1 79 79 TRP CB C 79 31.944 31.944 30.762 1.182 19282 452 1 . 1 1 79 79 TRP H H 79 9.045 9.045 8.810 0.235 19282 453 1 . 1 1 80 80 ILE N N 80 114.947 114.947 119.206 -4.259 19282 454 1 . 1 1 80 80 ILE HA H 80 4.355 4.355 3.905 0.450 19282 455 1 . 1 1 80 80 ILE C C 80 175.690 175.690 176.236 -0.546 19282 456 1 . 1 1 80 80 ILE CA C 80 63.782 63.782 64.267 -0.485 19282 457 1 . 1 1 80 80 ILE CB C 80 38.284 38.284 37.749 0.535 19282 458 1 . 1 1 80 80 ILE H H 80 8.493 8.493 8.554 -0.061 19282 459 1 . 1 1 81 81 ASN N N 81 116.185 116.185 117.226 -1.041 19282 460 1 . 1 1 81 81 ASN HA H 81 4.892 4.892 4.667 0.225 19282 461 1 . 1 1 81 81 ASN C C 81 176.344 176.344 176.274 0.070 19282 462 1 . 1 1 81 81 ASN CA C 81 52.787 52.787 52.873 -0.086 19282 463 1 . 1 1 81 81 ASN CB C 81 37.778 37.778 38.160 -0.382 19282 464 1 . 1 1 81 81 ASN H H 81 7.370 7.370 8.094 -0.724 19282 465 1 . 1 1 82 82 GLY N N 82 108.864 108.864 108.098 0.766 19282 466 1 . 1 1 82 82 GLY C C 82 174.321 174.321 174.373 -0.052 19282 467 1 . 1 1 82 82 GLY CA C 82 45.306 45.306 45.058 0.248 19282 468 1 . 1 1 82 82 GLY H H 82 8.621 8.621 8.108 0.513 19282 469 1 . 1 1 83 83 SER N N 83 116.447 116.447 116.291 0.156 19282 470 1 . 1 1 83 83 SER HA H 83 4.688 4.688 4.871 -0.183 19282 471 1 . 1 1 83 83 SER C C 83 174.042 174.042 174.364 -0.322 19282 472 1 . 1 1 83 83 SER CA C 83 58.822 58.822 58.409 0.413 19282 473 1 . 1 1 83 83 SER CB C 83 64.512 64.512 64.870 -0.358 19282 474 1 . 1 1 83 83 SER H H 83 7.894 7.894 8.115 -0.221 19282 475 1 . 1 1 84 84 THR N N 84 117.358 117.358 117.740 -0.382 19282 476 1 . 1 1 84 84 THR HA H 84 4.628 4.628 4.774 -0.145 19282 477 1 . 1 1 84 84 THR C C 84 174.906 174.906 174.465 0.441 19282 478 1 . 1 1 84 84 THR CA C 84 62.727 62.727 62.286 0.441 19282 479 1 . 1 1 84 84 THR CB C 84 70.047 70.047 70.872 -0.825 19282 480 1 . 1 1 84 84 THR H H 84 8.710 8.710 8.440 0.270 19282 481 1 . 1 1 85 85 LEU N N 85 125.457 125.457 128.102 -2.645 19282 482 1 . 1 1 85 85 LEU HA H 85 4.419 4.419 4.727 -0.308 19282 483 1 . 1 1 85 85 LEU C C 85 175.973 175.973 175.921 0.052 19282 484 1 . 1 1 85 85 LEU CA C 85 56.168 56.168 55.278 0.890 19282 485 1 . 1 1 85 85 LEU CB C 85 43.460 43.460 43.026 0.434 19282 486 1 . 1 1 85 85 LEU H H 85 8.244 8.244 8.274 -0.030 19282 487 1 . 1 1 86 86 ASN N N 86 126.729 126.729 124.838 1.891 19282 488 1 . 1 1 86 86 ASN HA H 86 5.062 5.062 4.923 0.139 19282 489 1 . 1 1 86 86 ASN C C 86 176.112 176.112 175.748 0.364 19282 490 1 . 1 1 86 86 ASN CA C 86 52.243 52.243 52.397 -0.154 19282 491 1 . 1 1 86 86 ASN CB C 86 38.631 38.631 38.190 0.441 19282 492 1 . 1 1 86 86 ASN H H 86 9.042 9.042 9.031 0.011 19282 493 1 . 1 1 87 87 SER N N 87 120.386 120.386 120.621 -0.235 19282 494 1 . 1 1 87 87 SER HA H 87 4.606 4.606 4.260 0.346 19282 495 1 . 1 1 87 87 SER C C 87 174.673 174.673 175.063 -0.390 19282 496 1 . 1 1 87 87 SER CA C 87 59.908 59.908 60.400 -0.492 19282 497 1 . 1 1 87 87 SER CB C 87 63.602 63.602 63.168 0.434 19282 498 1 . 1 1 87 87 SER H H 87 8.724 8.724 8.357 0.367 19282 499 1 . 1 1 88 88 ASP N N 88 120.189 120.189 120.247 -0.058 19282 500 1 . 1 1 88 88 ASP HA H 88 4.577 4.577 4.597 -0.020 19282 501 1 . 1 1 88 88 ASP C C 88 177.211 177.211 177.500 -0.289 19282 502 1 . 1 1 88 88 ASP CA C 88 55.987 55.987 56.146 -0.159 19282 503 1 . 1 1 88 88 ASP CB C 88 40.640 40.640 40.933 -0.293 19282 504 1 . 1 1 88 88 ASP H H 88 8.464 8.464 7.987 0.478 19282 505 1 . 1 1 89 89 VAL N N 89 118.259 118.259 115.315 2.944 19282 506 1 . 1 1 89 89 VAL HA H 89 3.987 3.987 4.018 -0.031 19282 507 1 . 1 1 89 89 VAL C C 89 175.071 175.071 175.520 -0.449 19282 508 1 . 1 1 89 89 VAL CA C 89 64.434 64.434 64.176 0.258 19282 509 1 . 1 1 89 89 VAL CB C 89 32.963 32.963 32.525 0.438 19282 510 1 . 1 1 89 89 VAL H H 89 7.783 7.783 7.605 0.178 19282 511 1 . 1 1 90 90 LEU N N 90 118.198 118.198 117.401 0.798 19282 512 1 . 1 1 90 90 LEU HA H 90 4.480 4.480 4.599 -0.119 19282 513 1 . 1 1 90 90 LEU C C 90 173.881 173.881 175.244 -1.363 19282 514 1 . 1 1 90 90 LEU CA C 90 54.366 54.366 52.907 1.459 19282 515 1 . 1 1 90 90 LEU CB C 90 44.266 44.266 45.270 -1.004 19282 516 1 . 1 1 90 90 LEU H H 90 7.537 7.537 7.399 0.138 19282 517 1 . 1 1 91 91 LYS N N 91 122.032 122.032 121.460 0.572 19282 518 1 . 1 1 91 91 LYS HA H 91 4.433 4.433 4.251 0.182 19282 519 1 . 1 1 91 91 LYS C C 91 175.565 175.565 175.176 0.389 19282 520 1 . 1 1 91 91 LYS CA C 91 55.175 55.175 56.844 -1.669 19282 521 1 . 1 1 91 91 LYS CB C 91 33.177 33.177 31.637 1.540 19282 522 1 . 1 1 91 91 LYS H H 91 8.121 8.121 8.375 -0.254 19282 523 1 . 1 1 92 92 ILE N N 92 123.168 123.168 123.756 -0.588 19282 524 1 . 1 1 92 92 ILE HA H 92 4.267 4.267 4.331 -0.064 19282 525 1 . 1 1 92 92 ILE C C 92 176.136 176.136 174.749 1.387 19282 526 1 . 1 1 92 92 ILE CA C 92 60.198 60.198 59.567 0.631 19282 527 1 . 1 1 92 92 ILE CB C 92 39.028 39.028 41.812 -2.784 19282 528 1 . 1 1 92 92 ILE H H 92 8.086 8.086 7.922 0.164 19282 529 1 . 1 1 93 93 THR N N 93 119.647 119.647 118.249 1.398 19282 530 1 . 1 1 93 93 THR HA H 93 4.487 4.487 4.495 -0.008 19282 531 1 . 1 1 93 93 THR C C 93 173.748 173.748 175.168 -1.421 19282 532 1 . 1 1 93 93 THR CA C 93 61.605 61.605 62.073 -0.468 19282 533 1 . 1 1 93 93 THR CB C 93 70.404 70.404 69.854 0.550 19282 534 1 . 1 1 93 93 THR H H 93 8.238 8.238 8.021 0.216 19282 535 1 . 1 1 94 94 GLY N N 94 111.397 111.397 111.035 0.362 19282 536 1 . 1 1 94 94 GLY C C 94 172.757 172.757 173.371 -0.614 19282 537 1 . 1 1 94 94 GLY CA C 94 44.714 44.714 45.442 -0.728 19282 538 1 . 1 1 94 94 GLY H H 94 8.133 8.133 8.521 -0.388 19282 539 1 . 1 1 95 95 ASP N N 95 119.905 119.905 119.308 0.597 19282 540 1 . 1 1 95 95 ASP HA H 95 4.743 4.743 4.809 -0.066 19282 541 1 . 1 1 95 95 ASP C C 95 175.600 175.600 175.220 0.380 19282 542 1 . 1 1 95 95 ASP CA C 95 54.183 54.183 53.191 0.992 19282 543 1 . 1 1 95 95 ASP CB C 95 41.877 41.877 41.328 0.549 19282 544 1 . 1 1 95 95 ASP H H 95 8.285 8.285 7.752 0.533 19282 545 1 . 1 1 96 96 THR N N 96 115.409 115.409 117.804 -2.395 19282 546 1 . 1 1 96 96 THR HA H 96 4.136 4.136 4.418 -0.282 19282 547 1 . 1 1 96 96 THR C C 96 173.508 173.508 174.518 -1.010 19282 548 1 . 1 1 96 96 THR CA C 96 61.369 61.369 61.584 -0.215 19282 549 1 . 1 1 96 96 THR CB C 96 69.775 69.775 69.895 -0.120 19282 550 1 . 1 1 96 96 THR H H 96 7.936 7.936 8.108 -0.172 19282 551 1 . 1 1 97 97 GLU N N 97 123.162 123.162 118.863 4.299 19282 552 1 . 1 1 97 97 GLU HA H 97 4.224 4.224 4.085 0.139 19282 553 1 . 1 1 97 97 GLU C C 97 175.455 175.455 175.059 0.397 19282 554 1 . 1 1 97 97 GLU CA C 97 56.162 56.162 58.057 -1.896 19282 555 1 . 1 1 97 97 GLU CB C 97 30.688 30.688 27.883 2.806 19282 556 1 . 1 1 97 97 GLU H H 97 8.186 8.186 8.334 -0.148 19282 557 1 . 1 1 98 98 ASN N N 98 117.342 117.342 117.306 0.036 19282 558 1 . 1 1 98 98 ASN HA H 98 4.521 4.521 4.853 -0.332 19282 559 1 . 1 1 98 98 ASN C C 98 174.251 174.251 174.241 0.010 19282 560 1 . 1 1 98 98 ASN CA C 98 53.449 53.449 52.086 1.363 19282 561 1 . 1 1 98 98 ASN CB C 98 40.229 40.229 40.188 0.041 19282 562 1 . 1 1 98 98 ASN H H 98 7.997 7.997 8.045 -0.048 19282 563 1 . 1 1 99 99 ASP N N 99 120.235 120.235 119.889 0.346 19282 564 1 . 1 1 99 99 ASP HA H 99 4.593 4.593 4.668 -0.075 19282 565 1 . 1 1 99 99 ASP C C 99 176.261 176.261 175.738 0.523 19282 566 1 . 1 1 99 99 ASP CA C 99 55.138 55.138 53.372 1.765 19282 567 1 . 1 1 99 99 ASP CB C 99 40.395 40.395 40.932 -0.537 19282 568 1 . 1 1 99 99 ASP H H 99 8.365 8.365 8.588 -0.223 19282 569 1 . 1 1 100 100 SER N N 100 116.248 116.248 115.223 1.025 19282 570 1 . 1 1 100 100 SER HA H 100 4.990 4.990 4.588 0.402 19282 571 1 . 1 1 100 100 SER C C 100 172.411 172.411 174.025 -1.614 19282 572 1 . 1 1 100 100 SER CA C 100 59.212 59.212 58.507 0.705 19282 573 1 . 1 1 100 100 SER CB C 100 66.127 66.127 64.075 2.051 19282 574 1 . 1 1 100 100 SER H H 100 7.862 7.862 7.593 0.270 19282 575 1 . 1 1 101 101 CYS N N 101 121.559 121.559 119.508 2.051 19282 576 1 . 1 1 101 101 CYS HA H 101 5.056 5.056 5.295 -0.239 19282 577 1 . 1 1 101 101 CYS C C 101 172.356 172.356 173.819 -1.463 19282 578 1 . 1 1 101 101 CYS CA C 101 59.446 59.446 55.887 3.559 19282 579 1 . 1 1 101 101 CYS CB C 101 45.631 45.631 30.315 15.316 19282 580 1 . 1 1 101 101 CYS H H 101 9.231 9.231 8.902 0.329 19282 581 1 . 1 1 102 102 ALA N N 102 124.390 124.390 123.112 1.278 19282 582 1 . 1 1 102 102 ALA HA H 102 5.380 5.380 5.542 -0.162 19282 583 1 . 1 1 102 102 ALA C C 102 175.442 175.442 175.706 -0.264 19282 584 1 . 1 1 102 102 ALA CA C 102 51.627 51.627 50.268 1.359 19282 585 1 . 1 1 102 102 ALA CB C 102 21.971 21.971 21.650 0.321 19282 586 1 . 1 1 102 102 ALA H H 102 8.393 8.393 8.689 -0.296 19282 587 1 . 1 1 103 103 ALA N N 103 120.824 120.824 122.734 -1.910 19282 588 1 . 1 1 103 103 ALA HA H 103 5.491 5.491 5.443 0.048 19282 589 1 . 1 1 103 103 ALA C C 103 176.664 176.664 175.515 1.149 19282 590 1 . 1 1 103 103 ALA CA C 103 50.383 50.383 50.246 0.137 19282 591 1 . 1 1 103 103 ALA CB C 103 23.012 23.012 22.638 0.374 19282 592 1 . 1 1 103 103 ALA H H 103 8.859 8.859 9.204 -0.345 19282 593 1 . 1 1 104 104 ILE N N 104 119.488 119.488 121.399 -1.911 19282 594 1 . 1 1 104 104 ILE HA H 104 4.618 4.618 4.550 0.069 19282 595 1 . 1 1 104 104 ILE C C 104 175.968 175.968 175.577 0.391 19282 596 1 . 1 1 104 104 ILE CA C 104 61.121 61.121 60.730 0.390 19282 597 1 . 1 1 104 104 ILE CB C 104 40.293 40.293 37.563 2.730 19282 598 1 . 1 1 104 104 ILE H H 104 9.301 9.301 8.774 0.527 19282 599 1 . 1 1 105 105 SER N N 105 121.988 121.988 122.610 -0.622 19282 600 1 . 1 1 105 105 SER HA H 105 4.793 4.793 5.188 -0.395 19282 601 1 . 1 1 105 105 SER C C 105 175.288 175.288 174.315 0.973 19282 602 1 . 1 1 105 105 SER CA C 105 56.729 56.729 56.812 -0.083 19282 603 1 . 1 1 105 105 SER CB C 105 64.136 64.136 63.958 0.179 19282 604 1 . 1 1 105 105 SER H H 105 8.747 8.747 8.245 0.501 19282 605 1 . 1 1 106 106 GLY N N 106 117.934 117.934 114.837 3.097 19282 606 1 . 1 1 106 106 GLY C C 106 173.274 173.274 173.428 -0.154 19282 607 1 . 1 1 106 106 GLY CA C 106 47.861 47.861 45.355 2.506 19282 608 1 . 1 1 106 106 GLY H H 106 9.283 9.283 8.246 1.037 19282 609 1 . 1 1 107 107 ASP N N 107 122.936 122.936 123.554 -0.618 19282 610 1 . 1 1 107 107 ASP HA H 107 4.633 4.633 4.708 -0.075 19282 611 1 . 1 1 107 107 ASP C C 107 174.997 174.997 175.676 -0.679 19282 612 1 . 1 1 107 107 ASP CA C 107 53.502 53.502 54.404 -0.902 19282 613 1 . 1 1 107 107 ASP CB C 107 40.928 40.928 41.019 -0.091 19282 614 1 . 1 1 107 107 ASP H H 107 8.420 8.420 8.459 -0.039 19282 615 1 . 1 1 108 108 LYS N N 108 116.770 116.770 118.410 -1.640 19282 616 1 . 1 1 108 108 LYS HA H 108 4.724 4.724 4.673 0.051 19282 617 1 . 1 1 108 108 LYS C C 108 173.949 173.949 174.825 -0.876 19282 618 1 . 1 1 108 108 LYS CA C 108 54.743 54.743 53.889 0.854 19282 619 1 . 1 1 108 108 LYS CB C 108 35.423 35.423 35.546 -0.123 19282 620 1 . 1 1 108 108 LYS H H 108 7.764 7.764 7.391 0.374 19282 621 1 . 1 1 109 109 VAL N N 109 120.190 120.190 120.062 0.128 19282 622 1 . 1 1 109 109 VAL HA H 109 4.731 4.731 4.607 0.124 19282 623 1 . 1 1 109 109 VAL C C 109 175.297 175.297 176.000 -0.703 19282 624 1 . 1 1 109 109 VAL CA C 109 62.009 62.009 61.485 0.524 19282 625 1 . 1 1 109 109 VAL CB C 109 31.996 31.996 32.612 -0.616 19282 626 1 . 1 1 109 109 VAL H H 109 8.315 8.315 8.529 -0.214 19282 627 1 . 1 1 110 110 THR N N 110 121.358 121.358 117.065 4.293 19282 628 1 . 1 1 110 110 THR HA H 110 4.765 4.765 4.516 0.249 19282 629 1 . 1 1 110 110 THR C C 110 172.026 172.026 172.981 -0.955 19282 630 1 . 1 1 110 110 THR CA C 110 59.150 59.150 59.722 -0.572 19282 631 1 . 1 1 110 110 THR CB C 110 71.063 71.063 71.776 -0.713 19282 632 1 . 1 1 110 110 THR H H 110 9.253 9.253 9.033 0.220 19282 633 1 . 1 1 111 111 PHE N N 111 116.390 116.390 116.551 -0.161 19282 634 1 . 1 1 111 111 PHE HA H 111 5.603 5.603 5.694 -0.091 19282 635 1 . 1 1 111 111 PHE C C 111 174.645 174.645 174.119 0.526 19282 636 1 . 1 1 111 111 PHE CA C 111 55.962 55.962 56.007 -0.045 19282 637 1 . 1 1 111 111 PHE CB C 111 41.976 41.976 42.302 -0.326 19282 638 1 . 1 1 111 111 PHE H H 111 7.934 7.934 7.936 -0.002 19282 639 1 . 1 1 112 112 GLU N N 112 119.577 119.577 120.246 -0.669 19282 640 1 . 1 1 112 112 GLU HA H 112 4.920 4.920 4.837 0.083 19282 641 1 . 1 1 112 112 GLU C C 112 175.303 175.303 174.986 0.317 19282 642 1 . 1 1 112 112 GLU CA C 112 54.687 54.687 54.415 0.272 19282 643 1 . 1 1 112 112 GLU CB C 112 34.154 34.154 32.510 1.645 19282 644 1 . 1 1 112 112 GLU H H 112 9.266 9.266 9.553 -0.287 19282 645 1 . 1 1 113 113 SER N N 113 114.911 114.911 115.858 -0.947 19282 646 1 . 1 1 113 113 SER HA H 113 4.706 4.706 4.651 0.055 19282 647 1 . 1 1 113 113 SER C C 113 178.063 178.063 175.927 2.136 19282 648 1 . 1 1 113 113 SER CA C 113 59.218 59.218 58.972 0.246 19282 649 1 . 1 1 113 113 SER CB C 113 63.646 63.646 63.546 0.100 19282 650 1 . 1 1 113 113 SER H H 113 8.880 8.880 8.751 0.129 19282 651 1 . 1 1 114 114 CYS N N 114 125.039 125.039 123.219 1.820 19282 652 1 . 1 1 114 114 CYS HA H 114 4.271 4.271 3.718 0.553 19282 653 1 . 1 1 114 114 CYS C C 114 174.382 174.382 175.871 -1.489 19282 654 1 . 1 1 114 114 CYS CA C 114 59.652 59.652 60.812 -1.160 19282 655 1 . 1 1 114 114 CYS CB C 114 45.624 45.624 26.068 19.556 19282 656 1 . 1 1 114 114 CYS H H 114 9.143 9.143 8.917 0.226 19282 657 1 . 1 1 115 115 ASN N N 115 116.644 116.644 115.641 1.003 19282 658 1 . 1 1 115 115 ASN HA H 115 5.076 5.076 4.641 0.435 19282 659 1 . 1 1 115 115 ASN C C 115 175.268 175.268 175.187 0.081 19282 660 1 . 1 1 115 115 ASN CA C 115 53.105 53.105 53.321 -0.216 19282 661 1 . 1 1 115 115 ASN CB C 115 38.085 38.085 38.284 -0.199 19282 662 1 . 1 1 115 115 ASN H H 115 8.251 8.251 8.486 -0.234 19282 663 1 . 1 1 116 116 SER N N 116 117.296 117.296 116.739 0.557 19282 664 1 . 1 1 116 116 SER HA H 116 4.509 4.509 4.553 -0.044 19282 665 1 . 1 1 116 116 SER C C 116 170.342 170.342 173.982 -3.639 19282 666 1 . 1 1 116 116 SER CA C 116 59.592 59.592 58.197 1.395 19282 667 1 . 1 1 116 116 SER CB C 116 63.948 63.948 64.828 -0.880 19282 668 1 . 1 1 116 116 SER H H 116 7.988 7.988 8.094 -0.106 19282 669 1 . 1 1 117 117 ASP N N 117 119.393 119.393 123.804 -4.411 19282 670 1 . 1 1 117 117 ASP HA H 117 4.833 4.833 5.029 -0.196 19282 671 1 . 1 1 117 117 ASP C C 117 174.981 174.981 175.542 -0.561 19282 672 1 . 1 1 117 117 ASP CA C 117 53.331 53.331 54.111 -0.781 19282 673 1 . 1 1 117 117 ASP CB C 117 41.632 41.632 40.903 0.729 19282 674 1 . 1 1 117 117 ASP H H 117 8.027 8.027 8.690 -0.663 19282 675 1 . 1 1 118 118 ASN N N 118 121.127 121.127 123.715 -2.588 19282 676 1 . 1 1 118 118 ASN HA H 118 4.940 4.940 4.978 -0.038 19282 677 1 . 1 1 118 118 ASN C C 118 176.169 176.169 174.476 1.693 19282 678 1 . 1 1 118 118 ASN CA C 118 52.074 52.074 52.137 -0.063 19282 679 1 . 1 1 118 118 ASN CB C 118 41.232 41.232 42.328 -1.095 19282 680 1 . 1 1 118 118 ASN H H 118 8.634 8.634 8.998 -0.364 19282 681 1 . 1 1 119 119 ARG N N 119 118.108 118.108 118.792 -0.684 19282 682 1 . 1 1 119 119 ARG HA H 119 4.491 4.491 5.786 -1.295 19282 683 1 . 1 1 119 119 ARG C C 119 174.125 174.125 176.305 -2.180 19282 684 1 . 1 1 119 119 ARG CA C 119 56.668 56.668 55.606 1.062 19282 685 1 . 1 1 119 119 ARG CB C 119 32.343 32.343 32.336 0.007 19282 686 1 . 1 1 119 119 ARG H H 119 6.943 6.943 8.652 -1.709 19282 687 1 . 1 1 120 120 TRP N N 120 113.700 113.700 115.812 -2.112 19282 688 1 . 1 1 120 120 TRP HA H 120 5.725 5.725 5.458 0.267 19282 689 1 . 1 1 120 120 TRP C C 120 173.109 173.109 173.752 -0.643 19282 690 1 . 1 1 120 120 TRP CA C 120 57.648 57.648 56.650 0.998 19282 691 1 . 1 1 120 120 TRP CB C 120 33.071 33.071 32.275 0.796 19282 692 1 . 1 1 120 120 TRP H H 120 8.511 8.511 8.184 0.327 19282 693 1 . 1 1 121 121 ILE N N 121 117.255 117.255 119.886 -2.631 19282 694 1 . 1 1 121 121 ILE HA H 121 5.338 5.338 4.924 0.414 19282 695 1 . 1 1 121 121 ILE C C 121 176.617 176.617 175.260 1.357 19282 696 1 . 1 1 121 121 ILE CA C 121 59.430 59.430 59.488 -0.058 19282 697 1 . 1 1 121 121 ILE CB C 121 41.408 41.408 40.775 0.633 19282 698 1 . 1 1 121 121 ILE H H 121 7.551 7.551 8.807 -1.256 19282 699 1 . 1 1 122 122 CYS N N 122 122.116 122.116 126.565 -4.449 19282 700 1 . 1 1 122 122 CYS HA H 122 6.004 6.004 5.397 0.607 19282 701 1 . 1 1 122 122 CYS C C 122 174.897 174.897 173.965 0.932 19282 702 1 . 1 1 122 122 CYS CA C 122 51.576 51.576 57.583 -6.007 19282 703 1 . 1 1 122 122 CYS CB C 122 39.418 39.418 28.978 10.440 19282 704 1 . 1 1 122 122 CYS H H 122 9.449 9.449 9.191 0.258 19282 705 1 . 1 1 123 123 GLN N N 123 118.635 118.635 120.814 -2.179 19282 706 1 . 1 1 123 123 GLN HA H 123 6.227 6.227 6.049 0.178 19282 707 1 . 1 1 123 123 GLN C C 123 174.014 174.014 174.513 -0.499 19282 708 1 . 1 1 123 123 GLN CA C 123 53.829 53.829 54.058 -0.229 19282 709 1 . 1 1 123 123 GLN CB C 123 34.972 34.972 33.018 1.954 19282 710 1 . 1 1 123 123 GLN H H 123 10.073 10.073 9.654 0.419 19282 711 1 . 1 1 124 124 LYS N N 124 121.677 121.677 122.428 -0.751 19282 712 1 . 1 1 124 124 LYS HA H 124 4.839 4.839 4.660 0.179 19282 713 1 . 1 1 124 124 LYS C C 124 174.809 174.809 175.349 -0.540 19282 714 1 . 1 1 124 124 LYS CA C 124 55.403 55.403 54.560 0.843 19282 715 1 . 1 1 124 124 LYS CB C 124 37.577 37.577 35.103 2.474 19282 716 1 . 1 1 124 124 LYS H H 124 9.115 9.115 9.109 0.006 19282 717 1 . 1 1 125 125 GLU N N 125 122.487 122.487 127.196 -4.709 19282 718 1 . 1 1 125 125 GLU HA H 125 4.575 4.575 4.234 0.341 19282 719 1 . 1 1 125 125 GLU C C 125 176.057 176.057 175.610 0.447 19282 720 1 . 1 1 125 125 GLU CA C 125 56.021 56.021 57.209 -1.188 19282 721 1 . 1 1 125 125 GLU CB C 125 31.152 31.152 29.699 1.453 19282 722 1 . 1 1 125 125 GLU H H 125 8.695 8.695 8.891 -0.196 19282 723 1 . 1 1 126 126 LEU N N 126 123.898 123.898 127.863 -3.965 19282 724 1 . 1 1 126 126 LEU HA H 126 4.139 4.139 4.292 -0.153 19282 725 1 . 1 1 126 126 LEU C C 126 176.479 176.479 176.532 -0.053 19282 726 1 . 1 1 126 126 LEU CA C 126 55.583 55.583 55.277 0.306 19282 727 1 . 1 1 126 126 LEU CB C 126 42.625 42.625 42.950 -0.325 19282 728 1 . 1 1 126 126 LEU H H 126 8.332 8.332 8.418 -0.086 19282 729 1 . 1 1 127 127 TYR N N 127 118.052 118.052 113.631 4.421 19282 730 1 . 1 1 127 127 TYR HA H 127 4.529 4.529 4.547 -0.018 19282 731 1 . 1 1 127 127 TYR C C 127 175.072 175.072 173.502 1.570 19282 732 1 . 1 1 127 127 TYR CA C 127 57.486 57.486 57.068 0.418 19282 733 1 . 1 1 127 127 TYR CB C 127 38.869 38.869 42.441 -3.572 19282 734 1 . 1 1 127 127 TYR H H 127 8.028 8.028 7.810 0.218 19282 735 1 . 1 1 128 128 HIS N N 128 120.723 120.723 114.869 5.854 19282 736 1 . 1 1 128 128 HIS HA H 128 4.584 4.584 4.928 -0.344 19282 737 1 . 1 1 128 128 HIS C C 128 174.487 174.487 173.510 0.977 19282 738 1 . 1 1 128 128 HIS CA C 128 55.688 55.688 54.885 0.802 19282 739 1 . 1 1 128 128 HIS CB C 128 30.515 30.515 32.238 -1.723 19282 740 1 . 1 1 128 128 HIS H H 128 8.014 8.014 8.333 -0.319 19282 741 1 . 1 1 129 129 GLU N N 129 122.855 122.855 120.324 2.531 19282 742 1 . 1 1 129 129 GLU HA H 129 4.284 4.284 4.741 -0.457 19282 743 1 . 1 1 129 129 GLU C C 129 176.492 176.492 175.292 1.200 19282 744 1 . 1 1 129 129 GLU CA C 129 56.817 56.817 54.779 2.038 19282 745 1 . 1 1 129 129 GLU CB C 129 30.472 30.472 33.011 -2.539 19282 746 1 . 1 1 129 129 GLU H H 129 8.424 8.424 8.787 -0.363 19282 747 1 . 1 1 130 130 THR N N 130 116.228 116.228 116.228 0.000 19282 748 1 . 1 1 130 130 THR HA H 130 4.339 4.339 4.725 -0.386 19282 749 1 . 1 1 130 130 THR C C 130 174.589 174.589 173.261 1.328 19282 750 1 . 1 1 130 130 THR CA C 130 62.205 62.205 62.052 0.153 19282 751 1 . 1 1 130 130 THR CB C 130 69.939 69.939 69.746 0.193 19282 752 1 . 1 1 130 130 THR H H 130 8.311 8.311 8.502 -0.191 19282 753 1 . 1 1 131 131 LEU N N 131 124.856 124.856 126.716 -1.860 19282 754 1 . 1 1 131 131 LEU HA H 131 4.410 4.410 4.704 -0.294 19282 755 1 . 1 1 131 131 LEU C C 131 177.438 177.438 175.358 2.080 19282 756 1 . 1 1 131 131 LEU CA C 131 55.362 55.362 54.544 0.819 19282 757 1 . 1 1 131 131 LEU CB C 131 42.356 42.356 44.296 -1.941 19282 758 1 . 1 1 131 131 LEU H H 131 8.294 8.294 8.433 -0.140 19282 759 1 . 1 1 132 132 SER N N 132 116.127 116.127 115.722 0.405 19282 760 1 . 1 1 132 132 SER HA H 132 4.397 4.397 4.535 -0.138 19282 761 1 . 1 1 132 132 SER C C 132 174.250 174.250 173.029 1.221 19282 762 1 . 1 1 132 132 SER CA C 132 58.571 58.571 58.519 0.052 19282 763 1 . 1 1 132 132 SER CB C 132 63.862 63.862 63.915 -0.053 19282 764 1 . 1 1 132 132 SER H H 132 8.255 8.255 8.459 -0.204 19282 765 1 . 1 1 133 133 ASN N N 133 120.181 120.181 120.629 -0.448 19282 766 1 . 1 1 133 133 ASN HA H 133 4.692 4.692 4.972 -0.280 19282 767 1 . 1 1 133 133 ASN C C 133 174.658 174.658 173.701 0.957 19282 768 1 . 1 1 133 133 ASN CA C 133 53.339 53.339 53.407 -0.068 19282 769 1 . 1 1 133 133 ASN CB C 133 38.838 38.838 41.390 -2.552 19282 770 1 . 1 1 133 133 ASN H H 133 8.293 8.293 8.672 -0.379 19282 771 1 . 1 1 134 134 TYR N N 134 120.605 120.605 116.977 3.628 19282 772 1 . 1 1 134 134 TYR HA H 134 4.573 4.573 4.673 -0.100 19282 773 1 . 1 1 134 134 TYR C C 134 175.726 175.726 174.779 0.947 19282 774 1 . 1 1 134 134 TYR CA C 134 58.149 58.149 57.885 0.264 19282 775 1 . 1 1 134 134 TYR CB C 134 38.845 38.845 39.404 -0.559 19282 776 1 . 1 1 134 134 TYR H H 134 8.067 8.067 8.088 -0.021 19282 777 1 . 1 1 135 135 VAL N N 135 122.466 122.466 122.198 0.268 19282 778 1 . 1 1 135 135 VAL HA H 135 4.047 4.047 3.872 0.175 19282 779 1 . 1 1 135 135 VAL C C 135 176.130 176.130 176.491 -0.361 19282 780 1 . 1 1 135 135 VAL CA C 135 62.546 62.546 62.802 -0.256 19282 781 1 . 1 1 135 135 VAL CB C 135 32.778 32.778 32.226 0.552 19282 782 1 . 1 1 135 135 VAL H H 135 7.952 7.952 8.568 -0.616 19282 783 1 . 1 1 136 136 GLY N N 136 111.336 111.336 106.745 4.591 19282 784 1 . 1 1 136 136 GLY C C 136 173.652 173.652 174.213 -0.561 19282 785 1 . 1 1 136 136 GLY CA C 136 45.218 45.218 45.796 -0.578 19282 786 1 . 1 1 136 136 GLY H H 136 7.915 7.915 7.516 0.399 19282 787 1 . 1 1 137 137 TYR N N 137 119.801 119.801 121.761 -1.960 19282 788 1 . 1 1 137 137 TYR HA H 137 4.564 4.564 4.570 -0.006 19282 789 1 . 1 1 137 137 TYR C C 137 176.375 176.375 176.163 0.212 19282 790 1 . 1 1 137 137 TYR CA C 137 58.168 58.168 58.069 0.099 19282 791 1 . 1 1 137 137 TYR CB C 137 38.925 38.925 38.622 0.303 19282 792 1 . 1 1 137 137 TYR H H 137 7.994 7.994 8.157 -0.163 19282 793 1 . 1 1 138 138 GLY N N 138 110.979 110.979 106.782 4.196 19282 794 1 . 1 1 138 138 GLY C C 138 173.159 173.159 173.723 -0.564 19282 795 1 . 1 1 138 138 GLY CA C 138 45.375 45.375 45.218 0.157 19282 796 1 . 1 1 138 138 GLY H H 138 8.345 8.345 8.060 0.285 19282 stop_ save_