data_25062 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25062 _Entry.PDB_ID 2MR6 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 25062 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 109.342 109.342 111.249 -1.907 25062 2 1 1 . 1 1 2 2 GLY C C 2 172.736 172.736 171.810 0.926 25062 3 1 1 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.515 0.141 25062 4 1 1 . 1 1 2 2 GLY H H 2 8.632 8.632 8.211 0.420 25062 5 1 1 . 1 1 3 3 VAL N N 3 123.457 123.457 121.410 2.047 25062 6 1 1 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.615 0.366 25062 7 1 1 . 1 1 3 3 VAL C C 3 173.780 173.780 174.731 -0.951 25062 8 1 1 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.423 -1.073 25062 9 1 1 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.964 0.149 25062 10 1 1 . 1 1 3 3 VAL H H 3 7.516 7.516 8.278 -0.762 25062 11 1 1 . 1 1 4 4 VAL N N 4 125.375 125.375 126.387 -1.012 25062 12 1 1 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.589 -0.058 25062 13 1 1 . 1 1 4 4 VAL C C 4 173.185 173.185 174.797 -1.612 25062 14 1 1 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.630 -1.129 25062 15 1 1 . 1 1 4 4 VAL CB C 4 33.795 33.795 34.047 -0.252 25062 16 1 1 . 1 1 4 4 VAL H H 4 8.810 8.810 8.833 -0.023 25062 17 1 1 . 1 1 5 5 ILE N N 5 127.180 127.180 128.342 -1.162 25062 18 1 1 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.397 0.472 25062 19 1 1 . 1 1 5 5 ILE C C 5 174.303 174.303 174.717 -0.414 25062 20 1 1 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.460 -1.050 25062 21 1 1 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.320 0.323 25062 22 1 1 . 1 1 5 5 ILE H H 5 8.800 8.800 8.859 -0.059 25062 23 1 1 . 1 1 6 6 LEU N N 6 129.025 129.025 129.844 -0.819 25062 24 1 1 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.896 0.117 25062 25 1 1 . 1 1 6 6 LEU C C 6 174.847 174.847 176.229 -1.382 25062 26 1 1 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.614 -0.146 25062 27 1 1 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.213 2.080 25062 28 1 1 . 1 1 6 6 LEU H H 6 9.424 9.424 8.852 0.572 25062 29 1 1 . 1 1 7 7 VAL N N 7 123.364 123.364 126.075 -2.711 25062 30 1 1 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.511 0.146 25062 31 1 1 . 1 1 7 7 VAL C C 7 174.210 174.210 175.479 -1.269 25062 32 1 1 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.813 0.014 25062 33 1 1 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.220 1.033 25062 34 1 1 . 1 1 7 7 VAL H H 7 8.653 8.653 8.445 0.208 25062 35 1 1 . 1 1 8 8 LEU N N 8 130.560 130.560 131.808 -1.248 25062 36 1 1 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.872 0.424 25062 37 1 1 . 1 1 8 8 LEU C C 8 175.744 175.744 176.729 -0.985 25062 38 1 1 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.350 -0.464 25062 39 1 1 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.372 1.124 25062 40 1 1 . 1 1 8 8 LEU H H 8 9.069 9.069 8.885 0.184 25062 41 1 1 . 1 1 9 9 THR N N 9 112.810 112.810 115.334 -2.524 25062 42 1 1 . 1 1 9 9 THR HA H 9 4.959 4.959 4.833 0.126 25062 43 1 1 . 1 1 9 9 THR C C 9 174.213 174.213 175.884 -1.671 25062 44 1 1 . 1 1 9 9 THR CA C 9 59.948 59.948 59.884 0.064 25062 45 1 1 . 1 1 9 9 THR CB C 9 70.756 70.756 71.166 -0.410 25062 46 1 1 . 1 1 9 9 THR H H 9 8.028 8.028 8.758 -0.730 25062 47 1 1 . 1 1 10 10 GLY N N 10 107.740 107.740 110.222 -2.482 25062 48 1 1 . 1 1 10 10 GLY C C 10 173.064 173.064 173.675 -0.611 25062 49 1 1 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.116 -0.686 25062 50 1 1 . 1 1 10 10 GLY H H 10 7.827 7.827 8.523 -0.696 25062 51 1 1 . 1 1 11 11 ASP N N 11 119.119 119.119 118.334 0.785 25062 52 1 1 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.750 0.103 25062 53 1 1 . 1 1 11 11 ASP C C 11 176.118 176.118 175.816 0.302 25062 54 1 1 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.676 0.296 25062 55 1 1 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.178 0.063 25062 56 1 1 . 1 1 11 11 ASP H H 11 7.642 7.642 7.545 0.097 25062 57 1 1 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.983 0.117 25062 58 1 1 . 1 1 12 12 GLU C C 12 178.508 178.508 177.662 0.846 25062 59 1 1 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.101 -0.637 25062 60 1 1 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.012 -0.679 25062 61 1 1 . 1 1 13 13 ARG N N 13 121.589 121.589 119.313 2.276 25062 62 1 1 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.077 0.060 25062 63 1 1 . 1 1 13 13 ARG C C 13 179.625 179.625 178.465 1.160 25062 64 1 1 . 1 1 13 13 ARG CA C 13 59.418 59.418 59.120 0.298 25062 65 1 1 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.970 -0.615 25062 66 1 1 . 1 1 13 13 ARG H H 13 8.593 8.593 7.701 0.892 25062 67 1 1 . 1 1 14 14 ILE N N 14 119.911 119.911 119.545 0.366 25062 68 1 1 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.842 -0.192 25062 69 1 1 . 1 1 14 14 ILE C C 14 177.727 177.727 177.484 0.243 25062 70 1 1 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.461 0.697 25062 71 1 1 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.592 -0.253 25062 72 1 1 . 1 1 14 14 ILE H H 14 7.823 7.823 7.431 0.392 25062 73 1 1 . 1 1 15 15 ALA N N 15 121.015 121.015 121.269 -0.254 25062 74 1 1 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.825 -0.106 25062 75 1 1 . 1 1 15 15 ALA C C 15 178.994 178.994 179.240 -0.246 25062 76 1 1 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.266 0.624 25062 77 1 1 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.796 0.055 25062 78 1 1 . 1 1 15 15 ALA H H 15 7.610 7.610 7.593 0.017 25062 79 1 1 . 1 1 16 16 GLU N N 16 117.655 117.655 118.266 -0.611 25062 80 1 1 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.832 0.302 25062 81 1 1 . 1 1 16 16 GLU C C 16 178.517 178.517 178.674 -0.157 25062 82 1 1 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.913 -0.634 25062 83 1 1 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.698 -0.476 25062 84 1 1 . 1 1 16 16 GLU H H 16 7.808 7.808 7.632 0.176 25062 85 1 1 . 1 1 17 17 GLU N N 17 119.648 119.648 119.140 0.508 25062 86 1 1 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.092 -0.038 25062 87 1 1 . 1 1 17 17 GLU C C 17 180.213 180.213 179.137 1.076 25062 88 1 1 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.791 0.443 25062 89 1 1 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.269 -0.117 25062 90 1 1 . 1 1 17 17 GLU H H 17 8.002 8.002 7.906 0.096 25062 91 1 1 . 1 1 18 18 LEU N N 18 119.118 119.118 120.486 -1.368 25062 92 1 1 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.054 0.046 25062 93 1 1 . 1 1 18 18 LEU C C 18 178.233 178.233 178.884 -0.651 25062 94 1 1 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.205 0.601 25062 95 1 1 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.534 -0.663 25062 96 1 1 . 1 1 18 18 LEU H H 18 8.554 8.554 8.117 0.437 25062 97 1 1 . 1 1 19 19 ARG N N 19 122.158 122.158 120.125 2.033 25062 98 1 1 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.128 -0.313 25062 99 1 1 . 1 1 19 19 ARG C C 19 178.686 178.686 178.185 0.501 25062 100 1 1 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.848 1.068 25062 101 1 1 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.726 -0.387 25062 102 1 1 . 1 1 19 19 ARG H H 19 8.274 8.274 7.345 0.929 25062 103 1 1 . 1 1 20 20 LYS N N 20 118.130 118.130 117.706 0.424 25062 104 1 1 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.982 -0.047 25062 105 1 1 . 1 1 20 20 LYS C C 20 179.078 179.078 178.874 0.204 25062 106 1 1 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.885 -0.132 25062 107 1 1 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.061 0.379 25062 108 1 1 . 1 1 20 20 LYS H H 20 7.977 7.977 7.502 0.475 25062 109 1 1 . 1 1 21 21 GLU N N 21 120.451 120.451 119.702 0.749 25062 110 1 1 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.166 -0.111 25062 111 1 1 . 1 1 21 21 GLU C C 21 178.995 178.995 179.037 -0.042 25062 112 1 1 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.950 0.153 25062 113 1 1 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.068 0.095 25062 114 1 1 . 1 1 21 21 GLU H H 21 7.813 7.813 7.561 0.252 25062 115 1 1 . 1 1 22 22 VAL N N 22 119.654 119.654 120.603 -0.949 25062 116 1 1 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.685 -0.245 25062 117 1 1 . 1 1 22 22 VAL C C 22 176.428 176.428 178.316 -1.888 25062 118 1 1 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.148 -0.027 25062 119 1 1 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.660 -0.208 25062 120 1 1 . 1 1 22 22 VAL H H 22 8.146 8.146 8.022 0.124 25062 121 1 1 . 1 1 23 23 GLN N N 23 116.884 116.884 117.633 -0.749 25062 122 1 1 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.297 -0.345 25062 123 1 1 . 1 1 23 23 GLN C C 23 177.429 177.429 177.660 -0.231 25062 124 1 1 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.783 0.984 25062 125 1 1 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.270 0.281 25062 126 1 1 . 1 1 23 23 GLN H H 23 7.588 7.588 7.879 -0.291 25062 127 1 1 . 1 1 24 24 LYS N N 24 116.529 116.529 116.779 -0.250 25062 128 1 1 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.278 -0.282 25062 129 1 1 . 1 1 24 24 LYS C C 24 177.508 177.508 178.512 -1.004 25062 130 1 1 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.485 0.929 25062 131 1 1 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.661 0.256 25062 132 1 1 . 1 1 24 24 LYS H H 24 7.544 7.544 7.947 -0.403 25062 133 1 1 . 1 1 25 25 HIS N N 25 119.657 119.657 117.096 2.561 25062 134 1 1 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.518 -0.265 25062 135 1 1 . 1 1 25 25 HIS C C 25 175.915 175.915 174.905 1.010 25062 136 1 1 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.366 1.076 25062 137 1 1 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.797 0.074 25062 138 1 1 . 1 1 25 25 HIS H H 25 7.809 7.809 7.736 0.073 25062 139 1 1 . 1 1 26 26 ASP N N 26 113.221 113.221 115.498 -2.277 25062 140 1 1 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.849 -0.114 25062 141 1 1 . 1 1 26 26 ASP C C 26 173.856 173.856 174.478 -0.622 25062 142 1 1 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.568 -0.898 25062 143 1 1 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.863 -0.497 25062 144 1 1 . 1 1 26 26 ASP H H 26 8.358 8.358 8.063 0.295 25062 145 1 1 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.471 0.095 25062 146 1 1 . 1 1 27 27 PRO C C 27 176.845 176.845 176.670 0.175 25062 147 1 1 . 1 1 27 27 PRO CA C 27 63.877 63.877 64.095 -0.218 25062 148 1 1 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.539 -0.254 25062 149 1 1 . 1 1 28 28 ASN N N 28 115.529 115.529 115.758 -0.229 25062 150 1 1 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.583 0.089 25062 151 1 1 . 1 1 28 28 ASN C C 28 175.632 175.632 175.062 0.570 25062 152 1 1 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.795 0.020 25062 153 1 1 . 1 1 28 28 ASN CB C 28 39.094 39.094 38.508 0.586 25062 154 1 1 . 1 1 28 28 ASN H H 28 8.570 8.570 8.385 0.185 25062 155 1 1 . 1 1 29 29 VAL N N 29 121.867 121.867 120.670 1.197 25062 156 1 1 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.965 -0.081 25062 157 1 1 . 1 1 29 29 VAL C C 29 175.085 175.085 175.780 -0.695 25062 158 1 1 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.775 -0.600 25062 159 1 1 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.883 0.115 25062 160 1 1 . 1 1 29 29 VAL H H 29 7.465 7.465 7.709 -0.244 25062 161 1 1 . 1 1 30 30 LYS N N 30 130.242 130.242 129.261 0.981 25062 162 1 1 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.583 -0.149 25062 163 1 1 . 1 1 30 30 LYS C C 30 175.093 175.093 175.910 -0.817 25062 164 1 1 . 1 1 30 30 LYS CA C 30 55.373 55.373 54.025 1.348 25062 165 1 1 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.238 -0.811 25062 166 1 1 . 1 1 30 30 LYS H H 30 9.036 9.036 8.064 0.972 25062 167 1 1 . 1 1 31 31 THR N N 31 113.173 113.173 115.437 -2.264 25062 168 1 1 . 1 1 31 31 THR HA H 31 5.688 5.688 5.123 0.565 25062 169 1 1 . 1 1 31 31 THR C C 31 174.708 174.708 174.572 0.136 25062 170 1 1 . 1 1 31 31 THR CA C 31 58.537 58.537 60.493 -1.956 25062 171 1 1 . 1 1 31 31 THR CB C 31 71.419 71.419 70.674 0.745 25062 172 1 1 . 1 1 31 31 THR H H 31 8.185 8.185 8.561 -0.376 25062 173 1 1 . 1 1 32 32 VAL N N 32 122.168 122.168 124.245 -2.077 25062 174 1 1 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.672 0.223 25062 175 1 1 . 1 1 32 32 VAL C C 32 173.388 173.388 174.215 -0.827 25062 176 1 1 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.931 -0.198 25062 177 1 1 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.804 -0.900 25062 178 1 1 . 1 1 32 32 VAL H H 32 8.968 8.968 8.594 0.374 25062 179 1 1 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.813 0.161 25062 180 1 1 . 1 1 33 33 PRO C C 33 177.848 177.848 178.030 -0.182 25062 181 1 1 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.313 0.028 25062 182 1 1 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.731 0.290 25062 183 1 1 . 1 1 34 34 THR N N 34 114.266 114.266 108.771 5.495 25062 184 1 1 . 1 1 34 34 THR HA H 34 4.118 4.118 4.180 -0.062 25062 185 1 1 . 1 1 34 34 THR C C 34 176.879 176.879 176.362 0.517 25062 186 1 1 . 1 1 34 34 THR CA C 34 64.607 64.607 65.324 -0.717 25062 187 1 1 . 1 1 34 34 THR CB C 34 68.311 68.311 69.029 -0.718 25062 188 1 1 . 1 1 34 34 THR H H 34 9.033 9.033 8.431 0.602 25062 189 1 1 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.133 0.112 25062 190 1 1 . 1 1 35 35 LYS C C 35 176.639 176.639 177.147 -0.508 25062 191 1 1 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.819 -0.685 25062 192 1 1 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.475 -0.172 25062 193 1 1 . 1 1 36 36 ASP N N 36 120.993 120.993 119.970 1.023 25062 194 1 1 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.785 0.230 25062 195 1 1 . 1 1 36 36 ASP C C 36 176.202 176.202 175.840 0.362 25062 196 1 1 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.093 -0.657 25062 197 1 1 . 1 1 36 36 ASP CB C 36 41.110 41.110 39.137 1.973 25062 198 1 1 . 1 1 36 36 ASP H H 36 7.726 7.726 8.203 -0.477 25062 199 1 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 4.004 -0.016 25062 200 1 1 . 1 1 37 37 LYS C C 37 177.948 177.948 178.351 -0.403 25062 201 1 1 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.420 -0.112 25062 202 1 1 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.534 0.314 25062 203 1 1 . 1 1 38 38 GLU N N 38 119.141 119.141 119.202 -0.061 25062 204 1 1 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.185 0.065 25062 205 1 1 . 1 1 38 38 GLU C C 38 178.054 178.054 177.866 0.188 25062 206 1 1 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.875 -0.373 25062 207 1 1 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.192 0.015 25062 208 1 1 . 1 1 38 38 GLU H H 38 8.883 8.883 8.612 0.271 25062 209 1 1 . 1 1 39 39 LYS N N 39 118.440 118.440 118.245 0.195 25062 210 1 1 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.150 0.357 25062 211 1 1 . 1 1 39 39 LYS C C 39 177.126 177.126 178.414 -1.288 25062 212 1 1 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.180 -1.873 25062 213 1 1 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.070 0.354 25062 214 1 1 . 1 1 39 39 LYS H H 39 8.064 8.064 8.149 -0.085 25062 215 1 1 . 1 1 40 40 VAL N N 40 118.130 118.130 119.850 -1.720 25062 216 1 1 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.495 -0.100 25062 217 1 1 . 1 1 40 40 VAL C C 40 176.934 176.934 177.138 -0.204 25062 218 1 1 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.010 0.611 25062 219 1 1 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.360 0.295 25062 220 1 1 . 1 1 40 40 VAL H H 40 7.308 7.308 7.735 -0.427 25062 221 1 1 . 1 1 41 41 LYS N N 41 118.555 118.555 117.991 0.564 25062 222 1 1 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.804 -0.161 25062 223 1 1 . 1 1 41 41 LYS C C 41 178.363 178.363 178.626 -0.263 25062 224 1 1 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.330 1.957 25062 225 1 1 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.171 0.283 25062 226 1 1 . 1 1 41 41 LYS H H 41 8.150 8.150 7.761 0.389 25062 227 1 1 . 1 1 42 42 GLU N N 42 119.454 119.454 119.322 0.132 25062 228 1 1 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.158 -0.060 25062 229 1 1 . 1 1 42 42 GLU C C 42 179.552 179.552 178.960 0.592 25062 230 1 1 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.629 0.627 25062 231 1 1 . 1 1 42 42 GLU CB C 42 29.594 29.594 28.956 0.638 25062 232 1 1 . 1 1 42 42 GLU H H 42 8.067 8.067 8.155 -0.088 25062 233 1 1 . 1 1 43 43 GLU N N 43 118.427 118.427 119.320 -0.893 25062 234 1 1 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.150 0.145 25062 235 1 1 . 1 1 43 43 GLU C C 43 180.076 180.076 179.317 0.759 25062 236 1 1 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.571 -0.116 25062 237 1 1 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.265 -0.620 25062 238 1 1 . 1 1 43 43 GLU H H 43 8.189 8.189 7.820 0.369 25062 239 1 1 . 1 1 44 44 ILE N N 44 122.905 122.905 120.271 2.634 25062 240 1 1 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.666 -0.031 25062 241 1 1 . 1 1 44 44 ILE C C 44 176.828 176.828 177.677 -0.849 25062 242 1 1 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.527 0.870 25062 243 1 1 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.797 -0.258 25062 244 1 1 . 1 1 44 44 ILE H H 44 8.734 8.734 7.999 0.735 25062 245 1 1 . 1 1 45 45 GLU N N 45 120.098 120.098 119.286 0.812 25062 246 1 1 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.016 0.123 25062 247 1 1 . 1 1 45 45 GLU C C 45 178.930 178.930 179.231 -0.301 25062 248 1 1 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.270 0.219 25062 249 1 1 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.046 0.102 25062 250 1 1 . 1 1 45 45 GLU H H 45 8.099 8.099 7.865 0.234 25062 251 1 1 . 1 1 46 46 LYS N N 46 118.360 118.360 118.983 -0.623 25062 252 1 1 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.178 -0.169 25062 253 1 1 . 1 1 46 46 LYS C C 46 178.775 178.775 178.910 -0.135 25062 254 1 1 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.681 1.221 25062 255 1 1 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.345 0.357 25062 256 1 1 . 1 1 46 46 LYS H H 46 7.854 7.854 7.747 0.107 25062 257 1 1 . 1 1 47 47 ALA N N 47 122.551 122.551 122.491 0.060 25062 258 1 1 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.013 0.115 25062 259 1 1 . 1 1 47 47 ALA C C 47 180.095 180.095 179.197 0.898 25062 260 1 1 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.078 0.325 25062 261 1 1 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.310 -0.605 25062 262 1 1 . 1 1 47 47 ALA H H 47 8.135 8.135 7.978 0.157 25062 263 1 1 . 1 1 48 48 ARG N N 48 118.945 118.945 116.890 2.055 25062 264 1 1 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.174 -0.117 25062 265 1 1 . 1 1 48 48 ARG C C 48 179.960 179.960 178.771 1.189 25062 266 1 1 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.821 0.466 25062 267 1 1 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.131 -0.679 25062 268 1 1 . 1 1 48 48 ARG H H 48 8.655 8.655 7.545 1.110 25062 269 1 1 . 1 1 49 49 LYS N N 49 119.557 119.557 119.413 0.144 25062 270 1 1 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.121 -0.064 25062 271 1 1 . 1 1 49 49 LYS C C 49 178.288 178.288 178.530 -0.242 25062 272 1 1 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.488 0.482 25062 273 1 1 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.115 0.538 25062 274 1 1 . 1 1 49 49 LYS H H 49 8.058 8.058 7.499 0.559 25062 275 1 1 . 1 1 50 50 GLN N N 50 115.215 115.215 116.537 -1.322 25062 276 1 1 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.337 0.040 25062 277 1 1 . 1 1 50 50 GLN C C 50 176.439 176.439 176.641 -0.202 25062 278 1 1 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.683 0.290 25062 279 1 1 . 1 1 50 50 GLN CB C 50 29.808 29.808 28.747 1.061 25062 280 1 1 . 1 1 50 50 GLN H H 50 7.938 7.938 7.756 0.182 25062 281 1 1 . 1 1 51 51 GLY N N 51 109.413 109.413 107.953 1.460 25062 282 1 1 . 1 1 51 51 GLY C C 51 174.570 174.570 174.255 0.315 25062 283 1 1 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.753 0.842 25062 284 1 1 . 1 1 51 51 GLY H H 51 8.070 8.070 7.628 0.442 25062 285 1 1 . 1 1 52 52 ARG N N 52 119.414 119.414 119.213 0.201 25062 286 1 1 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.958 -0.056 25062 287 1 1 . 1 1 52 52 ARG C C 52 173.093 173.093 174.300 -1.207 25062 288 1 1 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.385 0.592 25062 289 1 1 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.050 1.360 25062 290 1 1 . 1 1 52 52 ARG H H 52 7.950 7.950 7.567 0.383 25062 291 1 1 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.878 0.196 25062 292 1 1 . 1 1 53 53 PRO C C 53 174.179 174.179 176.010 -1.831 25062 293 1 1 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.371 -0.394 25062 294 1 1 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.907 -0.373 25062 295 1 1 . 1 1 54 54 ILE N N 54 115.161 115.161 119.913 -4.752 25062 296 1 1 . 1 1 54 54 ILE HA H 54 4.958 4.958 5.021 -0.063 25062 297 1 1 . 1 1 54 54 ILE C C 54 172.097 172.097 174.383 -2.286 25062 298 1 1 . 1 1 54 54 ILE CA C 54 58.773 58.773 58.781 -0.008 25062 299 1 1 . 1 1 54 54 ILE CB C 54 41.735 41.735 40.821 0.915 25062 300 1 1 . 1 1 54 54 ILE H H 54 7.718 7.718 7.964 -0.246 25062 301 1 1 . 1 1 55 55 VAL N N 55 126.019 126.019 130.288 -4.269 25062 302 1 1 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.552 0.328 25062 303 1 1 . 1 1 55 55 VAL C C 55 173.844 173.844 174.824 -0.980 25062 304 1 1 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.972 -0.680 25062 305 1 1 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.845 1.423 25062 306 1 1 . 1 1 55 55 VAL H H 55 8.352 8.352 8.612 -0.260 25062 307 1 1 . 1 1 56 56 VAL N N 56 127.584 127.584 128.038 -0.454 25062 308 1 1 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.365 0.076 25062 309 1 1 . 1 1 56 56 VAL C C 56 173.968 173.968 175.462 -1.494 25062 310 1 1 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.517 0.026 25062 311 1 1 . 1 1 56 56 VAL CB C 56 34.380 34.380 31.380 3.001 25062 312 1 1 . 1 1 56 56 VAL H H 56 9.291 9.291 8.459 0.832 25062 313 1 1 . 1 1 57 57 PHE N N 57 125.432 125.432 128.450 -3.018 25062 314 1 1 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.945 -0.015 25062 315 1 1 . 1 1 57 57 PHE C C 57 174.987 174.987 175.749 -0.762 25062 316 1 1 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.495 0.714 25062 317 1 1 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.205 0.681 25062 318 1 1 . 1 1 57 57 PHE H H 57 8.585 8.585 8.904 -0.319 25062 319 1 1 . 1 1 58 58 VAL N N 58 123.763 123.763 123.649 0.114 25062 320 1 1 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.599 -0.397 25062 321 1 1 . 1 1 58 58 VAL C C 58 174.791 174.791 174.818 -0.027 25062 322 1 1 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.500 0.381 25062 323 1 1 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.778 -1.066 25062 324 1 1 . 1 1 58 58 VAL H H 58 9.008 9.008 8.869 0.139 25062 325 1 1 . 1 1 59 59 ARG N N 59 127.924 127.924 123.649 4.275 25062 326 1 1 . 1 1 59 59 ARG HA H 59 4.582 4.582 5.064 -0.482 25062 327 1 1 . 1 1 59 59 ARG C C 59 177.755 177.755 177.233 0.522 25062 328 1 1 . 1 1 59 59 ARG CA C 59 56.538 56.538 54.597 1.941 25062 329 1 1 . 1 1 59 59 ARG CB C 59 30.513 30.513 32.775 -2.262 25062 330 1 1 . 1 1 59 59 ARG H H 59 8.820 8.820 8.198 0.622 25062 331 1 1 . 1 1 60 60 GLY N N 60 110.441 110.441 110.914 -0.473 25062 332 1 1 . 1 1 60 60 GLY C C 60 174.818 174.818 174.186 0.632 25062 333 1 1 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.882 1.106 25062 334 1 1 . 1 1 60 60 GLY H H 60 8.200 8.200 8.431 -0.231 25062 335 1 1 . 1 1 61 61 GLY N N 61 109.411 109.411 115.189 -5.778 25062 336 1 1 . 1 1 61 61 GLY C C 61 174.550 174.550 174.479 0.071 25062 337 1 1 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.419 0.012 25062 338 1 1 . 1 1 61 61 GLY H H 61 7.995 7.995 8.023 -0.028 25062 339 1 1 . 1 1 62 62 ASP N N 62 122.920 122.920 121.266 1.654 25062 340 1 1 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.811 0.210 25062 341 1 1 . 1 1 62 62 ASP C C 62 176.247 176.247 176.532 -0.285 25062 342 1 1 . 1 1 62 62 ASP CA C 62 52.527 52.527 52.885 -0.358 25062 343 1 1 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.858 -1.043 25062 344 1 1 . 1 1 62 62 ASP H H 62 8.090 8.090 7.731 0.359 25062 345 1 1 . 1 1 63 63 ASP N N 63 121.058 121.058 120.676 0.382 25062 346 1 1 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.337 -0.071 25062 347 1 1 . 1 1 63 63 ASP C C 63 178.418 178.418 177.641 0.777 25062 348 1 1 . 1 1 63 63 ASP CA C 63 57.341 57.341 56.719 0.621 25062 349 1 1 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.992 0.579 25062 350 1 1 . 1 1 63 63 ASP H H 63 8.023 8.023 8.545 -0.522 25062 351 1 1 . 1 1 64 64 GLU N N 64 119.564 119.564 120.015 -0.451 25062 352 1 1 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.900 0.151 25062 353 1 1 . 1 1 64 64 GLU C C 64 178.321 178.321 178.390 -0.069 25062 354 1 1 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.308 0.074 25062 355 1 1 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.737 -0.693 25062 356 1 1 . 1 1 64 64 GLU H H 64 8.760 8.760 8.505 0.255 25062 357 1 1 . 1 1 65 65 ARG N N 65 119.839 119.839 119.372 0.467 25062 358 1 1 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.054 0.142 25062 359 1 1 . 1 1 65 65 ARG C C 65 178.305 178.305 178.149 0.156 25062 360 1 1 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.042 0.010 25062 361 1 1 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.090 0.547 25062 362 1 1 . 1 1 65 65 ARG H H 65 7.643 7.643 7.665 -0.022 25062 363 1 1 . 1 1 66 66 ALA N N 66 118.984 118.984 122.096 -3.112 25062 364 1 1 . 1 1 66 66 ALA HA H 66 3.866 3.866 3.907 -0.041 25062 365 1 1 . 1 1 66 66 ALA C C 66 178.638 178.638 179.509 -0.871 25062 366 1 1 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.442 0.024 25062 367 1 1 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.517 -0.155 25062 368 1 1 . 1 1 66 66 ALA H H 66 7.782 7.782 7.514 0.268 25062 369 1 1 . 1 1 67 67 LYS N N 67 117.711 117.711 117.000 0.711 25062 370 1 1 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.036 -0.017 25062 371 1 1 . 1 1 67 67 LYS C C 67 178.363 178.363 178.717 -0.354 25062 372 1 1 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.500 0.073 25062 373 1 1 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.022 0.202 25062 374 1 1 . 1 1 67 67 LYS H H 67 8.010 8.010 8.101 -0.091 25062 375 1 1 . 1 1 68 68 ASP N N 68 119.581 119.581 120.325 -0.744 25062 376 1 1 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.530 -0.116 25062 377 1 1 . 1 1 68 68 ASP C C 68 179.235 179.235 178.794 0.441 25062 378 1 1 . 1 1 68 68 ASP CA C 68 57.494 57.494 58.197 -0.703 25062 379 1 1 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.909 0.478 25062 380 1 1 . 1 1 68 68 ASP H H 68 7.999 7.999 7.560 0.439 25062 381 1 1 . 1 1 69 69 ILE N N 69 119.307 119.307 120.553 -1.246 25062 382 1 1 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.651 -0.058 25062 383 1 1 . 1 1 69 69 ILE C C 69 176.927 176.927 177.540 -0.613 25062 384 1 1 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.893 0.333 25062 385 1 1 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.783 0.080 25062 386 1 1 . 1 1 69 69 ILE H H 69 8.283 8.283 8.002 0.281 25062 387 1 1 . 1 1 70 70 ALA N N 70 121.395 121.395 122.495 -1.100 25062 388 1 1 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.685 0.047 25062 389 1 1 . 1 1 70 70 ALA C C 70 178.770 178.770 179.216 -0.446 25062 390 1 1 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.229 0.312 25062 391 1 1 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.546 0.598 25062 392 1 1 . 1 1 70 70 ALA H H 70 8.200 8.200 8.131 0.069 25062 393 1 1 . 1 1 71 71 GLU N N 71 116.210 116.210 119.240 -3.030 25062 394 1 1 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.264 -0.118 25062 395 1 1 . 1 1 71 71 GLU C C 71 179.215 179.215 178.680 0.535 25062 396 1 1 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.700 0.733 25062 397 1 1 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.653 -0.069 25062 398 1 1 . 1 1 71 71 GLU H H 71 8.402 8.402 8.089 0.313 25062 399 1 1 . 1 1 72 72 TYR N N 72 121.372 121.372 120.745 0.627 25062 400 1 1 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.136 0.066 25062 401 1 1 . 1 1 72 72 TYR C C 72 176.699 176.699 177.160 -0.461 25062 402 1 1 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.523 -0.217 25062 403 1 1 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.483 -0.245 25062 404 1 1 . 1 1 72 72 TYR H H 72 8.031 8.031 7.660 0.371 25062 405 1 1 . 1 1 73 73 ALA N N 73 119.994 119.994 121.028 -1.034 25062 406 1 1 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.911 -0.300 25062 407 1 1 . 1 1 73 73 ALA C C 73 178.786 178.786 179.392 -0.606 25062 408 1 1 . 1 1 73 73 ALA CA C 73 55.171 55.171 54.980 0.191 25062 409 1 1 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.150 0.351 25062 410 1 1 . 1 1 73 73 ALA H H 73 8.588 8.588 8.202 0.386 25062 411 1 1 . 1 1 74 74 GLN N N 74 116.775 116.775 118.388 -1.613 25062 412 1 1 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.143 0.164 25062 413 1 1 . 1 1 74 74 GLN C C 74 180.672 180.672 178.763 1.909 25062 414 1 1 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.276 0.900 25062 415 1 1 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.733 0.464 25062 416 1 1 . 1 1 74 74 GLN H H 74 8.382 8.382 8.138 0.244 25062 417 1 1 . 1 1 75 75 LYS N N 75 122.969 122.969 120.489 2.480 25062 418 1 1 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.098 -0.042 25062 419 1 1 . 1 1 75 75 LYS C C 75 178.547 178.547 177.590 0.957 25062 420 1 1 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.510 0.717 25062 421 1 1 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.269 -0.506 25062 422 1 1 . 1 1 75 75 LYS H H 75 8.248 8.248 7.622 0.626 25062 423 1 1 . 1 1 76 76 GLU N N 76 117.058 117.058 115.712 1.346 25062 424 1 1 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.317 -0.222 25062 425 1 1 . 1 1 76 76 GLU C C 76 176.070 176.070 176.479 -0.409 25062 426 1 1 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.429 0.429 25062 427 1 1 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.256 0.542 25062 428 1 1 . 1 1 76 76 GLU H H 76 7.522 7.522 7.518 0.004 25062 429 1 1 . 1 1 77 77 GLY N N 77 106.537 106.537 108.289 -1.752 25062 430 1 1 . 1 1 77 77 GLY C C 77 174.570 174.570 174.669 -0.099 25062 431 1 1 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.882 -0.403 25062 432 1 1 . 1 1 77 77 GLY H H 77 7.797 7.797 7.695 0.102 25062 433 1 1 . 1 1 78 78 LEU N N 78 121.257 121.257 119.101 2.156 25062 434 1 1 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.431 -0.025 25062 435 1 1 . 1 1 78 78 LEU C C 78 176.139 176.139 177.298 -1.159 25062 436 1 1 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.913 0.391 25062 437 1 1 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.901 -0.790 25062 438 1 1 . 1 1 78 78 LEU H H 78 8.008 8.008 7.399 0.609 25062 439 1 1 . 1 1 79 79 ARG N N 79 121.135 121.135 122.030 -0.895 25062 440 1 1 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.235 0.169 25062 441 1 1 . 1 1 79 79 ARG C C 79 174.598 174.598 175.221 -0.623 25062 442 1 1 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.073 -0.189 25062 443 1 1 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.513 1.854 25062 444 1 1 . 1 1 79 79 ARG H H 79 8.062 8.062 8.127 -0.065 25062 445 1 1 . 1 1 80 80 VAL N N 80 123.517 123.517 126.845 -3.328 25062 446 1 1 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.641 0.124 25062 447 1 1 . 1 1 80 80 VAL C C 80 175.373 175.373 175.135 0.238 25062 448 1 1 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.320 0.317 25062 449 1 1 . 1 1 80 80 VAL CB C 80 34.003 34.003 31.803 2.200 25062 450 1 1 . 1 1 80 80 VAL H H 80 8.377 8.377 8.280 0.097 25062 451 1 1 . 1 1 81 81 ILE N N 81 129.083 129.083 129.794 -0.711 25062 452 1 1 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.786 0.097 25062 453 1 1 . 1 1 81 81 ILE C C 81 173.899 173.899 175.229 -1.330 25062 454 1 1 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.623 0.103 25062 455 1 1 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.436 0.646 25062 456 1 1 . 1 1 81 81 ILE H H 81 8.812 8.812 8.839 -0.027 25062 457 1 1 . 1 1 82 82 VAL N N 82 126.531 126.531 126.977 -0.446 25062 458 1 1 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.719 0.268 25062 459 1 1 . 1 1 82 82 VAL C C 82 174.164 174.164 174.703 -0.539 25062 460 1 1 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.654 -1.330 25062 461 1 1 . 1 1 82 82 VAL CB C 82 34.417 34.417 34.051 0.366 25062 462 1 1 . 1 1 82 82 VAL H H 82 9.085 9.085 8.367 0.718 25062 463 1 1 . 1 1 83 83 ILE N N 83 127.143 127.143 128.547 -1.404 25062 464 1 1 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.848 0.056 25062 465 1 1 . 1 1 83 83 ILE C C 83 174.044 174.044 175.429 -1.385 25062 466 1 1 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.380 -0.364 25062 467 1 1 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.150 0.666 25062 468 1 1 . 1 1 83 83 ILE H H 83 9.391 9.391 8.900 0.491 25062 469 1 1 . 1 1 84 84 ILE N N 84 126.750 126.750 128.820 -2.070 25062 470 1 1 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.663 -0.217 25062 471 1 1 . 1 1 84 84 ILE C C 84 174.788 174.788 176.167 -1.379 25062 472 1 1 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.647 0.405 25062 473 1 1 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.716 1.316 25062 474 1 1 . 1 1 84 84 ILE H H 84 8.714 8.714 8.791 -0.077 25062 475 1 1 . 1 1 85 85 VAL N N 85 127.160 127.160 130.874 -3.714 25062 476 1 1 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.541 0.438 25062 477 1 1 . 1 1 85 85 VAL C C 85 176.539 176.539 174.896 1.643 25062 478 1 1 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.883 -1.821 25062 479 1 1 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.588 0.286 25062 480 1 1 . 1 1 85 85 VAL H H 85 8.464 8.464 9.126 -0.662 25062 481 1 1 . 1 1 86 86 SER N N 86 121.723 121.723 122.438 -0.715 25062 482 1 1 . 1 1 86 86 SER HA H 86 4.490 4.490 4.875 -0.385 25062 483 1 1 . 1 1 86 86 SER C C 86 172.447 172.447 173.234 -0.787 25062 484 1 1 . 1 1 86 86 SER CA C 86 58.131 58.131 57.425 0.706 25062 485 1 1 . 1 1 86 86 SER CB C 86 64.121 64.121 66.907 -2.786 25062 486 1 1 . 1 1 86 86 SER H H 86 8.725 8.725 8.923 -0.198 25062 487 1 1 . 1 1 87 87 GLN N N 87 121.657 121.657 121.937 -0.280 25062 488 1 1 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.179 0.390 25062 489 1 1 . 1 1 87 87 GLN C C 87 175.732 175.732 174.976 0.756 25062 490 1 1 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.450 -1.024 25062 491 1 1 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.375 -0.256 25062 492 1 1 . 1 1 87 87 GLN H H 87 8.516 8.516 8.457 0.059 25062 493 1 1 . 1 1 88 88 ASP N N 88 121.146 121.146 117.266 3.880 25062 494 1 1 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.658 0.042 25062 495 1 1 . 1 1 88 88 ASP C C 88 175.752 175.752 176.627 -0.875 25062 496 1 1 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.525 -0.446 25062 497 1 1 . 1 1 88 88 ASP CB C 88 41.203 41.203 42.229 -1.026 25062 498 1 1 . 1 1 88 88 ASP H H 88 8.459 8.459 7.919 0.540 25062 499 1 1 . 1 1 89 89 GLU N N 89 125.736 125.736 126.305 -0.569 25062 500 1 1 . 1 1 89 89 GLU HA H 89 3.934 3.934 4.039 -0.105 25062 501 1 1 . 1 1 89 89 GLU C C 89 178.820 178.820 178.040 0.780 25062 502 1 1 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.495 0.049 25062 503 1 1 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.552 0.075 25062 504 1 1 . 1 1 89 89 GLU H H 89 8.840 8.840 8.950 -0.110 25062 505 1 1 . 1 1 90 90 GLU N N 90 119.813 119.813 119.702 0.111 25062 506 1 1 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.055 0.181 25062 507 1 1 . 1 1 90 90 GLU C C 90 178.385 178.385 178.519 -0.134 25062 508 1 1 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.086 -0.279 25062 509 1 1 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.246 -0.069 25062 510 1 1 . 1 1 90 90 GLU H H 90 8.300 8.300 7.941 0.359 25062 511 1 1 . 1 1 91 91 ALA N N 91 123.211 123.211 122.417 0.794 25062 512 1 1 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.161 -0.030 25062 513 1 1 . 1 1 91 91 ALA C C 91 181.895 181.895 180.224 1.671 25062 514 1 1 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.898 -0.198 25062 515 1 1 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.303 -0.422 25062 516 1 1 . 1 1 91 91 ALA H H 91 7.670 7.670 8.204 -0.534 25062 517 1 1 . 1 1 92 92 LEU N N 92 118.903 118.903 119.303 -0.400 25062 518 1 1 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.978 0.027 25062 519 1 1 . 1 1 92 92 LEU C C 92 177.951 177.951 178.813 -0.862 25062 520 1 1 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.896 0.054 25062 521 1 1 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.615 0.567 25062 522 1 1 . 1 1 92 92 LEU H H 92 8.190 8.190 7.763 0.427 25062 523 1 1 . 1 1 93 93 ARG N N 93 118.916 118.916 119.163 -0.247 25062 524 1 1 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.083 0.015 25062 525 1 1 . 1 1 93 93 ARG C C 93 178.775 178.775 178.618 0.157 25062 526 1 1 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.685 -0.343 25062 527 1 1 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.189 -0.044 25062 528 1 1 . 1 1 93 93 ARG H H 93 7.868 7.868 8.008 -0.140 25062 529 1 1 . 1 1 94 94 LYS N N 94 118.989 118.989 118.348 0.641 25062 530 1 1 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.135 -0.078 25062 531 1 1 . 1 1 94 94 LYS C C 94 179.270 179.270 179.088 0.182 25062 532 1 1 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.608 -0.374 25062 533 1 1 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.177 0.257 25062 534 1 1 . 1 1 94 94 LYS H H 94 8.236 8.236 8.303 -0.067 25062 535 1 1 . 1 1 95 95 GLY N N 95 107.084 107.084 107.288 -0.204 25062 536 1 1 . 1 1 95 95 GLY C C 95 175.285 175.285 175.762 -0.477 25062 537 1 1 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.840 0.205 25062 538 1 1 . 1 1 95 95 GLY H H 95 8.296 8.296 7.769 0.527 25062 539 1 1 . 1 1 96 96 TYR N N 96 121.591 121.591 123.374 -1.783 25062 540 1 1 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.072 -0.026 25062 541 1 1 . 1 1 96 96 TYR C C 96 176.428 176.428 177.566 -1.138 25062 542 1 1 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.279 0.165 25062 543 1 1 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.429 0.161 25062 544 1 1 . 1 1 96 96 TYR H H 96 8.372 8.372 8.138 0.234 25062 545 1 1 . 1 1 97 97 GLU N N 97 117.883 117.883 117.337 0.546 25062 546 1 1 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.684 0.147 25062 547 1 1 . 1 1 97 97 GLU C C 97 178.775 178.775 178.799 -0.024 25062 548 1 1 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.071 0.178 25062 549 1 1 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.332 0.210 25062 550 1 1 . 1 1 97 97 GLU H H 97 8.205 8.205 8.147 0.058 25062 551 1 1 . 1 1 98 98 ASP N N 98 117.644 117.644 120.423 -2.779 25062 552 1 1 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.350 -0.005 25062 553 1 1 . 1 1 98 98 ASP C C 98 177.978 177.978 178.064 -0.086 25062 554 1 1 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.030 0.083 25062 555 1 1 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.975 1.016 25062 556 1 1 . 1 1 98 98 ASP H H 98 8.139 8.139 7.859 0.280 25062 557 1 1 . 1 1 99 99 LYS N N 99 116.691 116.691 117.765 -1.074 25062 558 1 1 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.163 -0.139 25062 559 1 1 . 1 1 99 99 LYS C C 99 178.061 178.061 178.670 -0.609 25062 560 1 1 . 1 1 99 99 LYS CA C 99 58.006 58.006 57.927 0.079 25062 561 1 1 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.605 -0.229 25062 562 1 1 . 1 1 99 99 LYS H H 99 7.886 7.886 7.806 0.080 25062 563 1 1 . 1 1 100 100 LYS N N 100 120.645 120.645 120.579 0.066 25062 564 1 1 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.226 -0.152 25062 565 1 1 . 1 1 100 100 LYS C C 100 180.486 180.486 179.157 1.329 25062 566 1 1 . 1 1 100 100 LYS CA C 100 58.183 58.183 59.044 -0.861 25062 567 1 1 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.139 -0.773 25062 568 1 1 . 1 1 100 100 LYS H H 100 8.395 8.395 7.860 0.535 25062 569 1 1 . 1 1 101 101 LYS N N 101 119.297 119.297 117.771 1.526 25062 570 1 1 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.078 0.004 25062 571 1 1 . 1 1 101 101 LYS C C 101 177.669 177.669 177.646 0.023 25062 572 1 1 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.489 -0.023 25062 573 1 1 . 1 1 101 101 LYS CB C 101 32.245 32.245 31.986 0.259 25062 574 1 1 . 1 1 101 101 LYS H H 101 7.713 7.713 7.762 -0.049 25062 575 1 1 . 1 1 102 102 LYS N N 102 116.847 116.847 118.082 -1.235 25062 576 1 1 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.130 -0.037 25062 577 1 1 . 1 1 102 102 LYS C C 102 176.357 176.357 176.031 0.326 25062 578 1 1 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.903 -0.114 25062 579 1 1 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.078 -0.075 25062 580 1 1 . 1 1 102 102 LYS H H 102 7.124 7.124 7.088 0.036 25062 581 1 1 . 1 1 103 103 GLY N N 103 105.781 105.781 106.280 -0.499 25062 582 1 1 . 1 1 103 103 GLY C C 103 174.378 174.378 174.547 -0.169 25062 583 1 1 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.960 0.094 25062 584 1 1 . 1 1 103 103 GLY H H 103 7.771 7.771 7.395 0.376 25062 585 1 1 . 1 1 104 104 TYR N N 104 119.257 119.257 118.350 0.907 25062 586 1 1 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.702 0.236 25062 587 1 1 . 1 1 104 104 TYR C C 104 175.223 175.223 174.887 0.336 25062 588 1 1 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.455 -1.004 25062 589 1 1 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.182 -1.438 25062 590 1 1 . 1 1 104 104 TYR H H 104 6.914 6.914 7.187 -0.273 25062 591 1 1 . 1 1 105 105 ASP N N 105 122.574 122.574 123.680 -1.106 25062 592 1 1 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.642 0.139 25062 593 1 1 . 1 1 105 105 ASP C C 105 174.818 174.818 174.610 0.208 25062 594 1 1 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.000 0.215 25062 595 1 1 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.608 0.192 25062 596 1 1 . 1 1 105 105 ASP H H 105 8.223 8.223 8.542 -0.319 25062 597 1 1 . 1 1 106 106 VAL N N 106 121.990 121.990 125.845 -3.855 25062 598 1 1 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.472 0.785 25062 599 1 1 . 1 1 106 106 VAL C C 106 173.835 173.835 175.436 -1.601 25062 600 1 1 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.055 -1.013 25062 601 1 1 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.678 1.701 25062 602 1 1 . 1 1 106 106 VAL H H 106 7.876 7.876 7.966 -0.090 25062 603 1 1 . 1 1 107 107 TYR N N 107 125.444 125.444 128.132 -2.688 25062 604 1 1 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.854 0.153 25062 605 1 1 . 1 1 107 107 TYR C C 107 174.765 174.765 175.410 -0.645 25062 606 1 1 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.572 -0.507 25062 607 1 1 . 1 1 107 107 TYR CB C 107 41.889 41.889 40.909 0.980 25062 608 1 1 . 1 1 107 107 TYR H H 107 9.400 9.400 8.967 0.433 25062 609 1 1 . 1 1 108 108 THR N N 108 111.100 111.100 114.270 -3.170 25062 610 1 1 . 1 1 108 108 THR HA H 108 5.212 5.212 5.098 0.114 25062 611 1 1 . 1 1 108 108 THR C C 108 174.350 174.350 174.033 0.317 25062 612 1 1 . 1 1 108 108 THR CA C 108 59.514 59.514 60.127 -0.613 25062 613 1 1 . 1 1 108 108 THR CB C 108 70.911 70.911 70.774 0.137 25062 614 1 1 . 1 1 108 108 THR H H 108 8.801 8.801 8.417 0.384 25062 615 1 1 . 1 1 109 109 SER N N 109 114.650 114.650 119.694 -5.044 25062 616 1 1 . 1 1 109 109 SER HA H 109 4.901 4.901 4.754 0.147 25062 617 1 1 . 1 1 109 109 SER C C 109 172.399 172.399 174.763 -2.364 25062 618 1 1 . 1 1 109 109 SER CA C 109 57.974 57.974 57.038 0.936 25062 619 1 1 . 1 1 109 109 SER CB C 109 67.764 67.764 66.841 0.923 25062 620 1 1 . 1 1 109 109 SER H H 109 8.565 8.565 8.847 -0.282 25062 621 1 1 . 1 1 110 110 ARG N N 110 119.807 119.807 123.291 -3.484 25062 622 1 1 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.326 0.683 25062 623 1 1 . 1 1 110 110 ARG C C 110 175.995 175.995 175.879 0.116 25062 624 1 1 . 1 1 110 110 ARG CA C 110 56.009 56.009 58.223 -2.214 25062 625 1 1 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.612 1.205 25062 626 1 1 . 1 1 110 110 ARG H H 110 8.948 8.948 8.861 0.087 25062 627 1 1 . 1 1 111 111 ASN N N 111 110.690 110.690 112.384 -1.694 25062 628 1 1 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.737 -0.104 25062 629 1 1 . 1 1 111 111 ASN C C 111 174.460 174.460 174.504 -0.044 25062 630 1 1 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.466 -1.096 25062 631 1 1 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.590 0.527 25062 632 1 1 . 1 1 111 111 ASN H H 111 7.426 7.426 7.412 0.014 25062 633 1 1 . 1 1 112 112 GLU N N 112 119.451 119.451 120.281 -0.830 25062 634 1 1 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.983 -0.175 25062 635 1 1 . 1 1 112 112 GLU C C 112 176.445 176.445 177.450 -1.005 25062 636 1 1 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.078 0.116 25062 637 1 1 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.250 1.356 25062 638 1 1 . 1 1 112 112 GLU H H 112 9.529 9.529 8.870 0.659 25062 639 1 1 . 1 1 113 113 ASP N N 113 120.739 120.739 117.794 2.945 25062 640 1 1 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.391 -0.022 25062 641 1 1 . 1 1 113 113 ASP C C 113 179.043 179.043 179.207 -0.164 25062 642 1 1 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.730 0.374 25062 643 1 1 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.114 0.833 25062 644 1 1 . 1 1 113 113 ASP H H 113 8.256 8.256 8.676 -0.420 25062 645 1 1 . 1 1 114 114 GLU N N 114 119.817 119.817 120.422 -0.605 25062 646 1 1 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.111 -0.061 25062 647 1 1 . 1 1 114 114 GLU C C 114 178.770 178.770 178.371 0.399 25062 648 1 1 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.018 0.222 25062 649 1 1 . 1 1 114 114 GLU CB C 114 30.656 30.656 28.771 1.885 25062 650 1 1 . 1 1 114 114 GLU H H 114 8.577 8.577 8.026 0.551 25062 651 1 1 . 1 1 115 115 ALA N N 115 121.470 121.470 122.661 -1.191 25062 652 1 1 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.051 0.004 25062 653 1 1 . 1 1 115 115 ALA C C 115 178.962 178.962 179.195 -0.233 25062 654 1 1 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.234 -0.021 25062 655 1 1 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.332 1.524 25062 656 1 1 . 1 1 115 115 ALA H H 115 8.358 8.358 8.192 0.166 25062 657 1 1 . 1 1 116 116 LYS N N 116 117.285 117.285 118.675 -1.390 25062 658 1 1 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.002 -0.344 25062 659 1 1 . 1 1 116 116 LYS C C 116 178.583 178.583 178.741 -0.158 25062 660 1 1 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.491 1.426 25062 661 1 1 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.284 0.527 25062 662 1 1 . 1 1 116 116 LYS H H 116 8.350 8.350 7.997 0.353 25062 663 1 1 . 1 1 117 117 LYS N N 117 118.433 118.433 119.329 -0.896 25062 664 1 1 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.899 0.087 25062 665 1 1 . 1 1 117 117 LYS C C 117 179.380 179.380 178.999 0.381 25062 666 1 1 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.900 -0.295 25062 667 1 1 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.337 0.045 25062 668 1 1 . 1 1 117 117 LYS H H 117 7.345 7.345 7.742 -0.397 25062 669 1 1 . 1 1 118 118 LYS N N 118 118.166 118.166 118.383 -0.217 25062 670 1 1 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.783 0.156 25062 671 1 1 . 1 1 118 118 LYS C C 118 178.088 178.088 179.052 -0.964 25062 672 1 1 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.856 -0.300 25062 673 1 1 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.727 -0.587 25062 674 1 1 . 1 1 118 118 LYS H H 118 8.130 8.130 7.653 0.477 25062 675 1 1 . 1 1 119 119 LEU N N 119 120.654 120.654 121.673 -1.019 25062 676 1 1 . 1 1 119 119 LEU HA H 119 3.784 3.784 4.010 -0.226 25062 677 1 1 . 1 1 119 119 LEU C C 119 177.567 177.567 178.161 -0.594 25062 678 1 1 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.967 -0.053 25062 679 1 1 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.834 0.340 25062 680 1 1 . 1 1 119 119 LEU H H 119 8.592 8.592 7.900 0.692 25062 681 1 1 . 1 1 120 120 LYS N N 120 118.314 118.314 118.248 0.066 25062 682 1 1 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.632 -0.087 25062 683 1 1 . 1 1 120 120 LYS C C 120 178.624 178.624 178.920 -0.296 25062 684 1 1 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.736 0.554 25062 685 1 1 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.995 -0.231 25062 686 1 1 . 1 1 120 120 LYS H H 120 7.753 7.753 7.851 -0.098 25062 687 1 1 . 1 1 121 121 GLU N N 121 118.446 118.446 120.089 -1.643 25062 688 1 1 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.145 -0.139 25062 689 1 1 . 1 1 121 121 GLU C C 121 178.744 178.744 178.738 0.006 25062 690 1 1 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.151 0.388 25062 691 1 1 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.367 -0.004 25062 692 1 1 . 1 1 121 121 GLU H H 121 7.777 7.777 8.147 -0.370 25062 693 1 1 . 1 1 122 122 ALA N N 122 121.333 121.333 121.661 -0.328 25062 694 1 1 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.163 -0.207 25062 695 1 1 . 1 1 122 122 ALA C C 122 179.973 179.973 179.556 0.417 25062 696 1 1 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.743 0.216 25062 697 1 1 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.631 -0.203 25062 698 1 1 . 1 1 122 122 ALA H H 122 8.229 8.229 7.620 0.609 25062 699 1 1 . 1 1 123 123 LEU N N 123 118.790 118.790 118.878 -0.088 25062 700 1 1 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.025 -0.245 25062 701 1 1 . 1 1 123 123 LEU C C 123 179.703 179.703 179.018 0.685 25062 702 1 1 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.220 0.669 25062 703 1 1 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.685 -0.833 25062 704 1 1 . 1 1 123 123 LEU H H 123 8.177 8.177 7.684 0.493 25062 705 1 1 . 1 1 124 124 GLU N N 124 120.881 120.881 119.130 1.751 25062 706 1 1 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.299 -0.155 25062 707 1 1 . 1 1 124 124 GLU C C 124 179.732 179.732 178.998 0.734 25062 708 1 1 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.027 0.412 25062 709 1 1 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.637 -0.117 25062 710 1 1 . 1 1 124 124 GLU H H 124 8.393 8.393 7.987 0.406 25062 711 1 1 . 1 1 125 125 LYS N N 125 119.526 119.526 117.784 1.742 25062 712 1 1 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.143 0.116 25062 713 1 1 . 1 1 125 125 LYS C C 125 177.862 177.862 178.462 -0.600 25062 714 1 1 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.659 -0.714 25062 715 1 1 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.547 -0.190 25062 716 1 1 . 1 1 125 125 LYS H H 125 8.290 8.290 7.899 0.391 25062 717 1 1 . 1 1 126 126 SER N N 126 114.103 114.103 111.745 2.358 25062 718 1 1 . 1 1 126 126 SER HA H 126 4.385 4.385 4.422 -0.037 25062 719 1 1 . 1 1 126 126 SER C C 126 174.460 174.460 175.299 -0.839 25062 720 1 1 . 1 1 126 126 SER CA C 126 59.611 59.611 59.423 0.188 25062 721 1 1 . 1 1 126 126 SER CB C 126 63.479 63.479 63.896 -0.417 25062 722 1 1 . 1 1 126 126 SER H H 126 7.702 7.702 7.587 0.115 25062 723 1 1 . 1 1 127 127 GLY N N 127 108.584 108.584 109.122 -0.538 25062 724 1 1 . 1 1 127 127 GLY C C 127 174.103 174.103 174.582 -0.479 25062 725 1 1 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.739 0.698 25062 726 1 1 . 1 1 127 127 GLY H H 127 7.933 7.933 7.436 0.497 25062 727 1 1 . 1 1 128 128 SER N N 128 115.990 115.990 119.705 -3.715 25062 728 1 1 . 1 1 128 128 SER HA H 128 4.590 4.590 4.458 0.132 25062 729 1 1 . 1 1 128 128 SER C C 128 174.412 174.412 173.441 0.971 25062 730 1 1 . 1 1 128 128 SER CA C 128 57.986 57.986 59.898 -1.912 25062 731 1 1 . 1 1 128 128 SER CB C 128 63.336 63.336 63.534 -0.198 25062 732 1 1 . 1 1 128 128 SER H H 128 8.091 8.091 7.961 0.130 25062 733 1 1 . 1 1 129 129 LEU N N 129 125.492 125.492 125.468 0.024 25062 734 1 1 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.628 -0.187 25062 735 1 1 . 1 1 129 129 LEU C C 129 177.084 177.084 176.088 0.996 25062 736 1 1 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.364 0.513 25062 737 1 1 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.634 -2.325 25062 738 1 1 . 1 1 129 129 LEU H H 129 8.262 8.262 8.490 -0.228 25062 739 1 1 . 1 1 130 130 GLU N N 130 121.006 121.006 120.914 0.092 25062 740 1 1 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.208 -0.233 25062 741 1 1 . 1 1 130 130 GLU C C 130 176.435 176.435 175.627 0.808 25062 742 1 1 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.612 0.200 25062 743 1 1 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.782 -0.503 25062 744 1 1 . 1 1 130 130 GLU H H 130 8.398 8.398 8.330 0.068 25062 745 1 1 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.663 -0.072 25062 746 1 1 . 1 1 131 131 HIS C C 131 174.179 174.179 174.890 -0.711 25062 747 1 1 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.850 0.299 25062 748 1 1 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.445 1.386 25062 749 1 1 . 1 1 132 132 HIS N N 132 125.794 125.794 124.751 1.043 25062 750 1 1 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.473 -0.057 25062 751 1 1 . 1 1 132 132 HIS C C 132 179.523 179.523 175.119 4.404 25062 752 1 1 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.487 1.029 25062 753 1 1 . 1 1 132 132 HIS CB C 132 31.008 31.008 30.719 0.289 25062 754 1 1 . 1 1 132 132 HIS H H 132 7.935 7.935 8.521 -0.586 25062 755 1 2 . 1 1 2 2 GLY N N 2 109.342 109.342 106.870 2.472 25062 756 1 2 . 1 1 2 2 GLY C C 2 172.736 172.736 171.222 1.514 25062 757 1 2 . 1 1 2 2 GLY CA C 2 45.656 45.656 46.044 -0.388 25062 758 1 2 . 1 1 2 2 GLY H H 2 8.632 8.632 7.592 1.040 25062 759 1 2 . 1 1 3 3 VAL N N 3 123.457 123.457 118.772 4.685 25062 760 1 2 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.760 0.221 25062 761 1 2 . 1 1 3 3 VAL C C 3 173.780 173.780 175.116 -1.336 25062 762 1 2 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.533 -1.183 25062 763 1 2 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.510 -0.397 25062 764 1 2 . 1 1 3 3 VAL H H 3 7.516 7.516 7.746 -0.230 25062 765 1 2 . 1 1 4 4 VAL N N 4 125.375 125.375 125.883 -0.508 25062 766 1 2 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.522 0.009 25062 767 1 2 . 1 1 4 4 VAL C C 4 173.185 173.185 174.754 -1.569 25062 768 1 2 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.449 -0.948 25062 769 1 2 . 1 1 4 4 VAL CB C 4 33.795 33.795 34.088 -0.293 25062 770 1 2 . 1 1 4 4 VAL H H 4 8.810 8.810 8.886 -0.076 25062 771 1 2 . 1 1 5 5 ILE N N 5 127.180 127.180 128.806 -1.626 25062 772 1 2 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.509 0.360 25062 773 1 2 . 1 1 5 5 ILE C C 5 174.303 174.303 175.008 -0.705 25062 774 1 2 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.537 -1.127 25062 775 1 2 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.249 0.394 25062 776 1 2 . 1 1 5 5 ILE H H 5 8.800 8.800 8.746 0.054 25062 777 1 2 . 1 1 6 6 LEU N N 6 129.025 129.025 129.910 -0.885 25062 778 1 2 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.962 0.051 25062 779 1 2 . 1 1 6 6 LEU C C 6 174.847 174.847 176.373 -1.526 25062 780 1 2 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.622 -0.154 25062 781 1 2 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.048 2.245 25062 782 1 2 . 1 1 6 6 LEU H H 6 9.424 9.424 8.902 0.522 25062 783 1 2 . 1 1 7 7 VAL N N 7 123.364 123.364 126.364 -3.000 25062 784 1 2 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.395 0.262 25062 785 1 2 . 1 1 7 7 VAL C C 7 174.210 174.210 175.409 -1.199 25062 786 1 2 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.924 -0.097 25062 787 1 2 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.279 0.974 25062 788 1 2 . 1 1 7 7 VAL H H 7 8.653 8.653 8.566 0.087 25062 789 1 2 . 1 1 8 8 LEU N N 8 130.560 130.560 131.366 -0.806 25062 790 1 2 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.812 0.484 25062 791 1 2 . 1 1 8 8 LEU C C 8 175.744 175.744 176.721 -0.977 25062 792 1 2 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.114 -0.228 25062 793 1 2 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.415 1.081 25062 794 1 2 . 1 1 8 8 LEU H H 8 9.069 9.069 8.473 0.596 25062 795 1 2 . 1 1 9 9 THR N N 9 112.810 112.810 115.215 -2.405 25062 796 1 2 . 1 1 9 9 THR HA H 9 4.959 4.959 5.035 -0.076 25062 797 1 2 . 1 1 9 9 THR C C 9 174.213 174.213 175.481 -1.268 25062 798 1 2 . 1 1 9 9 THR CA C 9 59.948 59.948 59.788 0.160 25062 799 1 2 . 1 1 9 9 THR CB C 9 70.756 70.756 70.915 -0.159 25062 800 1 2 . 1 1 9 9 THR H H 9 8.028 8.028 8.806 -0.778 25062 801 1 2 . 1 1 10 10 GLY N N 10 107.740 107.740 110.142 -2.402 25062 802 1 2 . 1 1 10 10 GLY C C 10 173.064 173.064 173.535 -0.471 25062 803 1 2 . 1 1 10 10 GLY CA C 10 45.430 45.430 44.718 0.712 25062 804 1 2 . 1 1 10 10 GLY H H 10 7.827 7.827 8.732 -0.905 25062 805 1 2 . 1 1 11 11 ASP N N 11 119.119 119.119 117.776 1.343 25062 806 1 2 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.671 0.182 25062 807 1 2 . 1 1 11 11 ASP C C 11 176.118 176.118 175.396 0.722 25062 808 1 2 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.432 -0.460 25062 809 1 2 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.854 0.387 25062 810 1 2 . 1 1 11 11 ASP H H 11 7.642 7.642 7.230 0.412 25062 811 1 2 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.035 0.065 25062 812 1 2 . 1 1 12 12 GLU C C 12 178.508 178.508 178.000 0.508 25062 813 1 2 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.106 -0.642 25062 814 1 2 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.990 -0.657 25062 815 1 2 . 1 1 13 13 ARG N N 13 121.589 121.589 118.485 3.104 25062 816 1 2 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.088 0.049 25062 817 1 2 . 1 1 13 13 ARG C C 13 179.625 179.625 178.856 0.769 25062 818 1 2 . 1 1 13 13 ARG CA C 13 59.418 59.418 57.627 1.790 25062 819 1 2 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.585 -0.230 25062 820 1 2 . 1 1 13 13 ARG H H 13 8.593 8.593 7.713 0.880 25062 821 1 2 . 1 1 14 14 ILE N N 14 119.911 119.911 120.127 -0.216 25062 822 1 2 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.651 -0.001 25062 823 1 2 . 1 1 14 14 ILE C C 14 177.727 177.727 177.304 0.423 25062 824 1 2 . 1 1 14 14 ILE CA C 14 65.158 65.158 65.094 0.064 25062 825 1 2 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.427 -0.088 25062 826 1 2 . 1 1 14 14 ILE H H 14 7.823 7.823 8.110 -0.287 25062 827 1 2 . 1 1 15 15 ALA N N 15 121.015 121.015 120.925 0.090 25062 828 1 2 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.531 0.188 25062 829 1 2 . 1 1 15 15 ALA C C 15 178.994 178.994 178.980 0.014 25062 830 1 2 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.849 1.041 25062 831 1 2 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.562 0.289 25062 832 1 2 . 1 1 15 15 ALA H H 15 7.610 7.610 7.504 0.106 25062 833 1 2 . 1 1 16 16 GLU N N 16 117.655 117.655 118.509 -0.854 25062 834 1 2 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.835 0.299 25062 835 1 2 . 1 1 16 16 GLU C C 16 178.517 178.517 178.757 -0.240 25062 836 1 2 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.303 -1.024 25062 837 1 2 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.542 -0.320 25062 838 1 2 . 1 1 16 16 GLU H H 16 7.808 7.808 7.606 0.202 25062 839 1 2 . 1 1 17 17 GLU N N 17 119.648 119.648 118.970 0.678 25062 840 1 2 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.105 -0.051 25062 841 1 2 . 1 1 17 17 GLU C C 17 180.213 180.213 179.495 0.718 25062 842 1 2 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.438 0.797 25062 843 1 2 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.233 -0.081 25062 844 1 2 . 1 1 17 17 GLU H H 17 8.002 8.002 7.928 0.074 25062 845 1 2 . 1 1 18 18 LEU N N 18 119.118 119.118 119.545 -0.427 25062 846 1 2 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.108 -0.008 25062 847 1 2 . 1 1 18 18 LEU C C 18 178.233 178.233 178.816 -0.583 25062 848 1 2 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.660 0.146 25062 849 1 2 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.625 -0.754 25062 850 1 2 . 1 1 18 18 LEU H H 18 8.554 8.554 8.157 0.397 25062 851 1 2 . 1 1 19 19 ARG N N 19 122.158 122.158 120.293 1.865 25062 852 1 2 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.229 -0.414 25062 853 1 2 . 1 1 19 19 ARG C C 19 178.686 178.686 178.511 0.175 25062 854 1 2 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.875 1.041 25062 855 1 2 . 1 1 19 19 ARG CB C 19 29.339 29.339 30.040 -0.701 25062 856 1 2 . 1 1 19 19 ARG H H 19 8.274 8.274 7.666 0.608 25062 857 1 2 . 1 1 20 20 LYS N N 20 118.130 118.130 117.522 0.608 25062 858 1 2 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.015 -0.080 25062 859 1 2 . 1 1 20 20 LYS C C 20 179.078 179.078 179.115 -0.037 25062 860 1 2 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.376 0.377 25062 861 1 2 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.161 0.279 25062 862 1 2 . 1 1 20 20 LYS H H 20 7.977 7.977 7.757 0.220 25062 863 1 2 . 1 1 21 21 GLU N N 21 120.451 120.451 119.695 0.756 25062 864 1 2 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.244 -0.189 25062 865 1 2 . 1 1 21 21 GLU C C 21 178.995 178.995 178.812 0.183 25062 866 1 2 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.655 0.448 25062 867 1 2 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.289 -0.126 25062 868 1 2 . 1 1 21 21 GLU H H 21 7.813 7.813 7.569 0.244 25062 869 1 2 . 1 1 22 22 VAL N N 22 119.654 119.654 120.051 -0.397 25062 870 1 2 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.609 -0.169 25062 871 1 2 . 1 1 22 22 VAL C C 22 176.428 176.428 177.879 -1.451 25062 872 1 2 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.438 0.683 25062 873 1 2 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.468 -0.016 25062 874 1 2 . 1 1 22 22 VAL H H 22 8.146 8.146 7.999 0.147 25062 875 1 2 . 1 1 23 23 GLN N N 23 116.884 116.884 116.375 0.509 25062 876 1 2 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.153 -0.201 25062 877 1 2 . 1 1 23 23 GLN C C 23 177.429 177.429 177.353 0.076 25062 878 1 2 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.911 0.856 25062 879 1 2 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.189 0.362 25062 880 1 2 . 1 1 23 23 GLN H H 23 7.588 7.588 7.758 -0.170 25062 881 1 2 . 1 1 24 24 LYS N N 24 116.529 116.529 116.811 -0.282 25062 882 1 2 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.331 -0.335 25062 883 1 2 . 1 1 24 24 LYS C C 24 177.508 177.508 178.400 -0.892 25062 884 1 2 . 1 1 24 24 LYS CA C 24 58.414 58.414 56.892 1.522 25062 885 1 2 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.581 0.336 25062 886 1 2 . 1 1 24 24 LYS H H 24 7.544 7.544 7.652 -0.108 25062 887 1 2 . 1 1 25 25 HIS N N 25 119.657 119.657 119.144 0.513 25062 888 1 2 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.597 -0.344 25062 889 1 2 . 1 1 25 25 HIS C C 25 175.915 175.915 174.294 1.621 25062 890 1 2 . 1 1 25 25 HIS CA C 25 59.442 59.442 59.639 -0.197 25062 891 1 2 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.805 0.065 25062 892 1 2 . 1 1 25 25 HIS H H 25 7.809 7.809 7.737 0.072 25062 893 1 2 . 1 1 26 26 ASP N N 26 113.221 113.221 115.085 -1.864 25062 894 1 2 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.262 -0.527 25062 895 1 2 . 1 1 26 26 ASP C C 26 173.856 173.856 174.537 -0.681 25062 896 1 2 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.062 -0.392 25062 897 1 2 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.031 -0.665 25062 898 1 2 . 1 1 26 26 ASP H H 26 8.358 8.358 8.445 -0.087 25062 899 1 2 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.556 0.010 25062 900 1 2 . 1 1 27 27 PRO C C 27 176.845 176.845 176.668 0.177 25062 901 1 2 . 1 1 27 27 PRO CA C 27 63.877 63.877 64.072 -0.195 25062 902 1 2 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.234 0.051 25062 903 1 2 . 1 1 28 28 ASN N N 28 115.529 115.529 115.817 -0.288 25062 904 1 2 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.682 -0.010 25062 905 1 2 . 1 1 28 28 ASN C C 28 175.632 175.632 175.637 -0.005 25062 906 1 2 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.132 -0.317 25062 907 1 2 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.118 -0.024 25062 908 1 2 . 1 1 28 28 ASN H H 28 8.570 8.570 8.006 0.564 25062 909 1 2 . 1 1 29 29 VAL N N 29 121.867 121.867 122.380 -0.513 25062 910 1 2 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.961 -0.077 25062 911 1 2 . 1 1 29 29 VAL C C 29 175.085 175.085 175.081 0.004 25062 912 1 2 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.988 0.187 25062 913 1 2 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.418 0.580 25062 914 1 2 . 1 1 29 29 VAL H H 29 7.465 7.465 7.472 -0.007 25062 915 1 2 . 1 1 30 30 LYS N N 30 130.242 130.242 127.914 2.328 25062 916 1 2 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.445 -0.011 25062 917 1 2 . 1 1 30 30 LYS C C 30 175.093 175.093 175.930 -0.837 25062 918 1 2 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.944 -0.571 25062 919 1 2 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.904 -1.477 25062 920 1 2 . 1 1 30 30 LYS H H 30 9.036 9.036 8.484 0.552 25062 921 1 2 . 1 1 31 31 THR N N 31 113.173 113.173 114.680 -1.507 25062 922 1 2 . 1 1 31 31 THR HA H 31 5.688 5.688 5.160 0.528 25062 923 1 2 . 1 1 31 31 THR C C 31 174.708 174.708 174.517 0.191 25062 924 1 2 . 1 1 31 31 THR CA C 31 58.537 58.537 60.559 -2.022 25062 925 1 2 . 1 1 31 31 THR CB C 31 71.419 71.419 70.115 1.304 25062 926 1 2 . 1 1 31 31 THR H H 31 8.185 8.185 8.139 0.046 25062 927 1 2 . 1 1 32 32 VAL N N 32 122.168 122.168 125.702 -3.534 25062 928 1 2 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.532 0.363 25062 929 1 2 . 1 1 32 32 VAL C C 32 173.388 173.388 174.673 -1.285 25062 930 1 2 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.465 -0.731 25062 931 1 2 . 1 1 32 32 VAL CB C 32 33.904 33.904 32.597 1.307 25062 932 1 2 . 1 1 32 32 VAL H H 32 8.968 8.968 8.410 0.558 25062 933 1 2 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.015 -0.041 25062 934 1 2 . 1 1 33 33 PRO C C 33 177.848 177.848 178.574 -0.726 25062 935 1 2 . 1 1 33 33 PRO CA C 33 62.342 62.342 61.815 0.527 25062 936 1 2 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.752 0.269 25062 937 1 2 . 1 1 34 34 THR N N 34 114.266 114.266 111.550 2.716 25062 938 1 2 . 1 1 34 34 THR HA H 34 4.118 4.118 4.019 0.099 25062 939 1 2 . 1 1 34 34 THR C C 34 176.879 176.879 176.158 0.721 25062 940 1 2 . 1 1 34 34 THR CA C 34 64.607 64.607 66.127 -1.520 25062 941 1 2 . 1 1 34 34 THR CB C 34 68.311 68.311 68.985 -0.674 25062 942 1 2 . 1 1 34 34 THR H H 34 9.033 9.033 8.573 0.460 25062 943 1 2 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.249 -0.004 25062 944 1 2 . 1 1 35 35 LYS C C 35 176.639 176.639 177.141 -0.502 25062 945 1 2 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.314 0.820 25062 946 1 2 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.615 0.688 25062 947 1 2 . 1 1 36 36 ASP N N 36 120.993 120.993 120.636 0.357 25062 948 1 2 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.873 0.142 25062 949 1 2 . 1 1 36 36 ASP C C 36 176.202 176.202 175.623 0.579 25062 950 1 2 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.961 -0.524 25062 951 1 2 . 1 1 36 36 ASP CB C 36 41.110 41.110 41.144 -0.034 25062 952 1 2 . 1 1 36 36 ASP H H 36 7.726 7.726 7.798 -0.072 25062 953 1 2 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.861 0.127 25062 954 1 2 . 1 1 37 37 LYS C C 37 177.948 177.948 177.866 0.082 25062 955 1 2 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.285 0.023 25062 956 1 2 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.245 0.603 25062 957 1 2 . 1 1 38 38 GLU N N 38 119.141 119.141 116.983 2.158 25062 958 1 2 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.085 0.165 25062 959 1 2 . 1 1 38 38 GLU C C 38 178.054 178.054 178.707 -0.653 25062 960 1 2 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.849 -0.347 25062 961 1 2 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.046 0.161 25062 962 1 2 . 1 1 38 38 GLU H H 38 8.883 8.883 8.770 0.113 25062 963 1 2 . 1 1 39 39 LYS N N 39 118.440 118.440 119.380 -0.940 25062 964 1 2 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.181 0.326 25062 965 1 2 . 1 1 39 39 LYS C C 39 177.126 177.126 178.435 -1.309 25062 966 1 2 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.038 -1.731 25062 967 1 2 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.234 0.190 25062 968 1 2 . 1 1 39 39 LYS H H 39 8.064 8.064 7.358 0.706 25062 969 1 2 . 1 1 40 40 VAL N N 40 118.130 118.130 120.309 -2.179 25062 970 1 2 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.492 -0.097 25062 971 1 2 . 1 1 40 40 VAL C C 40 176.934 176.934 177.408 -0.474 25062 972 1 2 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.057 0.564 25062 973 1 2 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.322 0.333 25062 974 1 2 . 1 1 40 40 VAL H H 40 7.308 7.308 7.787 -0.479 25062 975 1 2 . 1 1 41 41 LYS N N 41 118.555 118.555 119.027 -0.472 25062 976 1 2 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.794 -0.151 25062 977 1 2 . 1 1 41 41 LYS C C 41 178.363 178.363 178.438 -0.075 25062 978 1 2 . 1 1 41 41 LYS CA C 41 61.287 61.287 60.160 1.127 25062 979 1 2 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.845 -0.391 25062 980 1 2 . 1 1 41 41 LYS H H 41 8.150 8.150 8.333 -0.183 25062 981 1 2 . 1 1 42 42 GLU N N 42 119.454 119.454 118.216 1.238 25062 982 1 2 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.066 0.032 25062 983 1 2 . 1 1 42 42 GLU C C 42 179.552 179.552 179.018 0.534 25062 984 1 2 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.308 -0.052 25062 985 1 2 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.035 0.558 25062 986 1 2 . 1 1 42 42 GLU H H 42 8.067 8.067 7.893 0.174 25062 987 1 2 . 1 1 43 43 GLU N N 43 118.427 118.427 119.278 -0.851 25062 988 1 2 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.094 0.201 25062 989 1 2 . 1 1 43 43 GLU C C 43 180.076 180.076 179.339 0.737 25062 990 1 2 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.813 -0.358 25062 991 1 2 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.308 -0.663 25062 992 1 2 . 1 1 43 43 GLU H H 43 8.189 8.189 7.935 0.254 25062 993 1 2 . 1 1 44 44 ILE N N 44 122.905 122.905 120.262 2.643 25062 994 1 2 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.659 -0.024 25062 995 1 2 . 1 1 44 44 ILE C C 44 176.828 176.828 177.819 -0.991 25062 996 1 2 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.677 0.720 25062 997 1 2 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.904 -0.365 25062 998 1 2 . 1 1 44 44 ILE H H 44 8.734 8.734 8.383 0.351 25062 999 1 2 . 1 1 45 45 GLU N N 45 120.098 120.098 120.431 -0.333 25062 1000 1 2 . 1 1 45 45 GLU HA H 45 4.139 4.139 3.922 0.217 25062 1001 1 2 . 1 1 45 45 GLU C C 45 178.930 178.930 178.945 -0.015 25062 1002 1 2 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.781 -0.291 25062 1003 1 2 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.492 -0.344 25062 1004 1 2 . 1 1 45 45 GLU H H 45 8.099 8.099 7.823 0.276 25062 1005 1 2 . 1 1 46 46 LYS N N 46 118.360 118.360 118.173 0.187 25062 1006 1 2 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.130 -0.121 25062 1007 1 2 . 1 1 46 46 LYS C C 46 178.775 178.775 179.012 -0.237 25062 1008 1 2 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.326 1.576 25062 1009 1 2 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.801 0.901 25062 1010 1 2 . 1 1 46 46 LYS H H 46 7.854 7.854 7.457 0.397 25062 1011 1 2 . 1 1 47 47 ALA N N 47 122.551 122.551 122.113 0.438 25062 1012 1 2 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.028 0.100 25062 1013 1 2 . 1 1 47 47 ALA C C 47 180.095 180.095 179.021 1.074 25062 1014 1 2 . 1 1 47 47 ALA CA C 47 55.403 55.403 54.855 0.548 25062 1015 1 2 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.418 -0.713 25062 1016 1 2 . 1 1 47 47 ALA H H 47 8.135 8.135 7.854 0.281 25062 1017 1 2 . 1 1 48 48 ARG N N 48 118.945 118.945 118.909 0.036 25062 1018 1 2 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.937 0.120 25062 1019 1 2 . 1 1 48 48 ARG C C 48 179.960 179.960 178.287 1.673 25062 1020 1 2 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.444 -0.157 25062 1021 1 2 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.060 -0.608 25062 1022 1 2 . 1 1 48 48 ARG H H 48 8.655 8.655 8.252 0.403 25062 1023 1 2 . 1 1 49 49 LYS N N 49 119.557 119.557 118.593 0.964 25062 1024 1 2 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.121 -0.064 25062 1025 1 2 . 1 1 49 49 LYS C C 49 178.288 178.288 178.801 -0.513 25062 1026 1 2 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.685 0.285 25062 1027 1 2 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.267 0.386 25062 1028 1 2 . 1 1 49 49 LYS H H 49 8.058 8.058 7.508 0.550 25062 1029 1 2 . 1 1 50 50 GLN N N 50 115.215 115.215 115.379 -0.164 25062 1030 1 2 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.291 0.086 25062 1031 1 2 . 1 1 50 50 GLN C C 50 176.439 176.439 176.436 0.003 25062 1032 1 2 . 1 1 50 50 GLN CA C 50 55.973 55.973 56.084 -0.111 25062 1033 1 2 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.372 0.436 25062 1034 1 2 . 1 1 50 50 GLN H H 50 7.938 7.938 7.615 0.323 25062 1035 1 2 . 1 1 51 51 GLY N N 51 109.413 109.413 107.302 2.111 25062 1036 1 2 . 1 1 51 51 GLY C C 51 174.570 174.570 174.555 0.015 25062 1037 1 2 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.288 1.307 25062 1038 1 2 . 1 1 51 51 GLY H H 51 8.070 8.070 7.857 0.213 25062 1039 1 2 . 1 1 52 52 ARG N N 52 119.414 119.414 120.593 -1.179 25062 1040 1 2 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.687 0.215 25062 1041 1 2 . 1 1 52 52 ARG C C 52 173.093 173.093 174.698 -1.605 25062 1042 1 2 . 1 1 52 52 ARG CA C 52 52.977 52.977 53.166 -0.189 25062 1043 1 2 . 1 1 52 52 ARG CB C 52 32.410 32.410 30.765 1.645 25062 1044 1 2 . 1 1 52 52 ARG H H 52 7.950 7.950 7.677 0.273 25062 1045 1 2 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.540 0.534 25062 1046 1 2 . 1 1 53 53 PRO C C 53 174.179 174.179 175.592 -1.413 25062 1047 1 2 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.807 -0.830 25062 1048 1 2 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.448 0.086 25062 1049 1 2 . 1 1 54 54 ILE N N 54 115.161 115.161 121.171 -6.010 25062 1050 1 2 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.360 0.598 25062 1051 1 2 . 1 1 54 54 ILE C C 54 172.097 172.097 173.928 -1.831 25062 1052 1 2 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.270 -0.497 25062 1053 1 2 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.208 0.527 25062 1054 1 2 . 1 1 54 54 ILE H H 54 7.718 7.718 7.736 -0.018 25062 1055 1 2 . 1 1 55 55 VAL N N 55 126.019 126.019 129.559 -3.540 25062 1056 1 2 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.410 0.470 25062 1057 1 2 . 1 1 55 55 VAL C C 55 173.844 173.844 174.996 -1.152 25062 1058 1 2 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.853 -0.560 25062 1059 1 2 . 1 1 55 55 VAL CB C 55 33.268 33.268 30.701 2.567 25062 1060 1 2 . 1 1 55 55 VAL H H 55 8.352 8.352 8.027 0.325 25062 1061 1 2 . 1 1 56 56 VAL N N 56 127.584 127.584 128.691 -1.107 25062 1062 1 2 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.307 0.134 25062 1063 1 2 . 1 1 56 56 VAL C C 56 173.968 173.968 175.205 -1.237 25062 1064 1 2 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.207 -0.664 25062 1065 1 2 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.051 2.329 25062 1066 1 2 . 1 1 56 56 VAL H H 56 9.291 9.291 8.746 0.545 25062 1067 1 2 . 1 1 57 57 PHE N N 57 125.432 125.432 128.587 -3.155 25062 1068 1 2 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.754 0.176 25062 1069 1 2 . 1 1 57 57 PHE C C 57 174.987 174.987 175.740 -0.753 25062 1070 1 2 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.983 0.225 25062 1071 1 2 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.091 1.795 25062 1072 1 2 . 1 1 57 57 PHE H H 57 8.585 8.585 8.338 0.247 25062 1073 1 2 . 1 1 58 58 VAL N N 58 123.763 123.763 124.173 -0.410 25062 1074 1 2 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.277 -0.075 25062 1075 1 2 . 1 1 58 58 VAL C C 58 174.791 174.791 175.329 -0.538 25062 1076 1 2 . 1 1 58 58 VAL CA C 58 60.881 60.881 61.137 -0.256 25062 1077 1 2 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.676 0.036 25062 1078 1 2 . 1 1 58 58 VAL H H 58 9.008 9.008 8.550 0.458 25062 1079 1 2 . 1 1 59 59 ARG N N 59 127.924 127.924 123.305 4.619 25062 1080 1 2 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.976 -0.394 25062 1081 1 2 . 1 1 59 59 ARG C C 59 177.755 177.755 178.124 -0.369 25062 1082 1 2 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.599 0.939 25062 1083 1 2 . 1 1 59 59 ARG CB C 59 30.513 30.513 32.781 -2.268 25062 1084 1 2 . 1 1 59 59 ARG H H 59 8.820 8.820 8.694 0.126 25062 1085 1 2 . 1 1 60 60 GLY N N 60 110.441 110.441 110.142 0.299 25062 1086 1 2 . 1 1 60 60 GLY C C 60 174.818 174.818 174.900 -0.082 25062 1087 1 2 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.997 -0.009 25062 1088 1 2 . 1 1 60 60 GLY H H 60 8.200 8.200 8.526 -0.326 25062 1089 1 2 . 1 1 61 61 GLY N N 61 109.411 109.411 106.559 2.852 25062 1090 1 2 . 1 1 61 61 GLY C C 61 174.550 174.550 174.661 -0.111 25062 1091 1 2 . 1 1 61 61 GLY CA C 61 45.431 45.431 44.555 0.876 25062 1092 1 2 . 1 1 61 61 GLY H H 61 7.995 7.995 8.459 -0.464 25062 1093 1 2 . 1 1 62 62 ASP N N 62 122.920 122.920 120.881 2.039 25062 1094 1 2 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.833 0.188 25062 1095 1 2 . 1 1 62 62 ASP C C 62 176.247 176.247 175.384 0.863 25062 1096 1 2 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.802 -1.275 25062 1097 1 2 . 1 1 62 62 ASP CB C 62 39.815 39.815 41.570 -1.755 25062 1098 1 2 . 1 1 62 62 ASP H H 62 8.090 8.090 7.697 0.393 25062 1099 1 2 . 1 1 63 63 ASP N N 63 121.058 121.058 121.022 0.036 25062 1100 1 2 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.218 0.048 25062 1101 1 2 . 1 1 63 63 ASP C C 63 178.418 178.418 177.746 0.672 25062 1102 1 2 . 1 1 63 63 ASP CA C 63 57.341 57.341 58.029 -0.688 25062 1103 1 2 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.245 0.327 25062 1104 1 2 . 1 1 63 63 ASP H H 63 8.023 8.023 8.310 -0.287 25062 1105 1 2 . 1 1 64 64 GLU N N 64 119.564 119.564 118.551 1.013 25062 1106 1 2 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.995 0.056 25062 1107 1 2 . 1 1 64 64 GLU C C 64 178.321 178.321 178.937 -0.616 25062 1108 1 2 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.921 -0.539 25062 1109 1 2 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.079 -0.035 25062 1110 1 2 . 1 1 64 64 GLU H H 64 8.760 8.760 8.905 -0.145 25062 1111 1 2 . 1 1 65 65 ARG N N 65 119.839 119.839 118.941 0.898 25062 1112 1 2 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.014 0.182 25062 1113 1 2 . 1 1 65 65 ARG C C 65 178.305 178.305 178.619 -0.314 25062 1114 1 2 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.225 -0.173 25062 1115 1 2 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.891 0.746 25062 1116 1 2 . 1 1 65 65 ARG H H 65 7.643 7.643 8.348 -0.705 25062 1117 1 2 . 1 1 66 66 ALA N N 66 118.984 118.984 122.224 -3.240 25062 1118 1 2 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.071 -0.205 25062 1119 1 2 . 1 1 66 66 ALA C C 66 178.638 178.638 179.263 -0.625 25062 1120 1 2 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.282 0.184 25062 1121 1 2 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.281 0.080 25062 1122 1 2 . 1 1 66 66 ALA H H 66 7.782 7.782 8.225 -0.443 25062 1123 1 2 . 1 1 67 67 LYS N N 67 117.711 117.711 116.907 0.804 25062 1124 1 2 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.079 -0.060 25062 1125 1 2 . 1 1 67 67 LYS C C 67 178.363 178.363 178.881 -0.518 25062 1126 1 2 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.212 0.361 25062 1127 1 2 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.176 0.048 25062 1128 1 2 . 1 1 67 67 LYS H H 67 8.010 8.010 7.844 0.166 25062 1129 1 2 . 1 1 68 68 ASP N N 68 119.581 119.581 121.461 -1.880 25062 1130 1 2 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.575 -0.161 25062 1131 1 2 . 1 1 68 68 ASP C C 68 179.235 179.235 178.622 0.613 25062 1132 1 2 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.192 0.302 25062 1133 1 2 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.936 0.451 25062 1134 1 2 . 1 1 68 68 ASP H H 68 7.999 7.999 7.855 0.144 25062 1135 1 2 . 1 1 69 69 ILE N N 69 119.307 119.307 120.407 -1.100 25062 1136 1 2 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.750 -0.157 25062 1137 1 2 . 1 1 69 69 ILE C C 69 176.927 176.927 177.838 -0.911 25062 1138 1 2 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.833 0.393 25062 1139 1 2 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.660 0.203 25062 1140 1 2 . 1 1 69 69 ILE H H 69 8.283 8.283 8.067 0.216 25062 1141 1 2 . 1 1 70 70 ALA N N 70 121.395 121.395 122.734 -1.339 25062 1142 1 2 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.716 0.016 25062 1143 1 2 . 1 1 70 70 ALA C C 70 178.770 178.770 178.973 -0.203 25062 1144 1 2 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.195 0.346 25062 1145 1 2 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.435 0.709 25062 1146 1 2 . 1 1 70 70 ALA H H 70 8.200 8.200 8.120 0.080 25062 1147 1 2 . 1 1 71 71 GLU N N 71 116.210 116.210 120.042 -3.832 25062 1148 1 2 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.205 -0.059 25062 1149 1 2 . 1 1 71 71 GLU C C 71 179.215 179.215 178.844 0.371 25062 1150 1 2 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.206 0.227 25062 1151 1 2 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.859 -0.275 25062 1152 1 2 . 1 1 71 71 GLU H H 71 8.402 8.402 7.814 0.588 25062 1153 1 2 . 1 1 72 72 TYR N N 72 121.372 121.372 120.715 0.657 25062 1154 1 2 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.122 0.080 25062 1155 1 2 . 1 1 72 72 TYR C C 72 176.699 176.699 177.275 -0.576 25062 1156 1 2 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.565 -0.259 25062 1157 1 2 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.370 -0.131 25062 1158 1 2 . 1 1 72 72 TYR H H 72 8.031 8.031 8.230 -0.199 25062 1159 1 2 . 1 1 73 73 ALA N N 73 119.994 119.994 119.670 0.324 25062 1160 1 2 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.760 -0.149 25062 1161 1 2 . 1 1 73 73 ALA C C 73 178.786 178.786 179.431 -0.645 25062 1162 1 2 . 1 1 73 73 ALA CA C 73 55.171 55.171 54.873 0.298 25062 1163 1 2 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.038 0.463 25062 1164 1 2 . 1 1 73 73 ALA H H 73 8.588 8.588 8.205 0.383 25062 1165 1 2 . 1 1 74 74 GLN N N 74 116.775 116.775 118.344 -1.569 25062 1166 1 2 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.296 0.011 25062 1167 1 2 . 1 1 74 74 GLN C C 74 180.672 180.672 178.250 2.422 25062 1168 1 2 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.518 0.658 25062 1169 1 2 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.950 0.247 25062 1170 1 2 . 1 1 74 74 GLN H H 74 8.382 8.382 8.143 0.239 25062 1171 1 2 . 1 1 75 75 LYS N N 75 122.969 122.969 118.089 4.880 25062 1172 1 2 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.047 0.009 25062 1173 1 2 . 1 1 75 75 LYS C C 75 178.547 178.547 178.166 0.381 25062 1174 1 2 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.126 1.101 25062 1175 1 2 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.150 -0.387 25062 1176 1 2 . 1 1 75 75 LYS H H 75 8.248 8.248 7.687 0.561 25062 1177 1 2 . 1 1 76 76 GLU N N 76 117.058 117.058 115.102 1.956 25062 1178 1 2 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.119 -0.024 25062 1179 1 2 . 1 1 76 76 GLU C C 76 176.070 176.070 176.442 -0.372 25062 1180 1 2 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.999 -0.141 25062 1181 1 2 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.448 0.350 25062 1182 1 2 . 1 1 76 76 GLU H H 76 7.522 7.522 7.506 0.016 25062 1183 1 2 . 1 1 77 77 GLY N N 77 106.537 106.537 107.294 -0.757 25062 1184 1 2 . 1 1 77 77 GLY C C 77 174.570 174.570 173.368 1.202 25062 1185 1 2 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.747 -0.268 25062 1186 1 2 . 1 1 77 77 GLY H H 77 7.797 7.797 7.546 0.251 25062 1187 1 2 . 1 1 78 78 LEU N N 78 121.257 121.257 118.580 2.677 25062 1188 1 2 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.899 -0.493 25062 1189 1 2 . 1 1 78 78 LEU C C 78 176.139 176.139 176.594 -0.455 25062 1190 1 2 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.044 1.260 25062 1191 1 2 . 1 1 78 78 LEU CB C 78 42.112 42.112 44.014 -1.902 25062 1192 1 2 . 1 1 78 78 LEU H H 78 8.008 8.008 7.717 0.291 25062 1193 1 2 . 1 1 79 79 ARG N N 79 121.135 121.135 122.825 -1.690 25062 1194 1 2 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.354 0.050 25062 1195 1 2 . 1 1 79 79 ARG C C 79 174.598 174.598 175.368 -0.770 25062 1196 1 2 . 1 1 79 79 ARG CA C 79 55.884 55.884 54.416 1.468 25062 1197 1 2 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.886 1.481 25062 1198 1 2 . 1 1 79 79 ARG H H 79 8.062 8.062 8.308 -0.246 25062 1199 1 2 . 1 1 80 80 VAL N N 80 123.517 123.517 126.793 -3.276 25062 1200 1 2 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.704 0.061 25062 1201 1 2 . 1 1 80 80 VAL C C 80 175.373 175.373 175.376 -0.003 25062 1202 1 2 . 1 1 80 80 VAL CA C 80 61.637 61.637 62.183 -0.546 25062 1203 1 2 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.478 1.525 25062 1204 1 2 . 1 1 80 80 VAL H H 80 8.377 8.377 8.668 -0.291 25062 1205 1 2 . 1 1 81 81 ILE N N 81 129.083 129.083 129.487 -0.404 25062 1206 1 2 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.801 0.082 25062 1207 1 2 . 1 1 81 81 ILE C C 81 173.899 173.899 175.006 -1.107 25062 1208 1 2 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.430 0.296 25062 1209 1 2 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.839 1.243 25062 1210 1 2 . 1 1 81 81 ILE H H 81 8.812 8.812 8.751 0.061 25062 1211 1 2 . 1 1 82 82 VAL N N 82 126.531 126.531 128.709 -2.178 25062 1212 1 2 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.861 0.126 25062 1213 1 2 . 1 1 82 82 VAL C C 82 174.164 174.164 175.172 -1.008 25062 1214 1 2 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.181 -0.857 25062 1215 1 2 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.863 1.554 25062 1216 1 2 . 1 1 82 82 VAL H H 82 9.085 9.085 8.343 0.742 25062 1217 1 2 . 1 1 83 83 ILE N N 83 127.143 127.143 129.254 -2.111 25062 1218 1 2 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.946 -0.042 25062 1219 1 2 . 1 1 83 83 ILE C C 83 174.044 174.044 175.795 -1.751 25062 1220 1 2 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.176 -0.160 25062 1221 1 2 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.907 0.909 25062 1222 1 2 . 1 1 83 83 ILE H H 83 9.391 9.391 8.346 1.045 25062 1223 1 2 . 1 1 84 84 ILE N N 84 126.750 126.750 129.130 -2.380 25062 1224 1 2 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.777 -0.331 25062 1225 1 2 . 1 1 84 84 ILE C C 84 174.788 174.788 175.922 -1.134 25062 1226 1 2 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.544 0.508 25062 1227 1 2 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.059 0.973 25062 1228 1 2 . 1 1 84 84 ILE H H 84 8.714 8.714 8.759 -0.045 25062 1229 1 2 . 1 1 85 85 VAL N N 85 127.160 127.160 129.937 -2.777 25062 1230 1 2 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.938 0.041 25062 1231 1 2 . 1 1 85 85 VAL C C 85 176.539 176.539 174.960 1.579 25062 1232 1 2 . 1 1 85 85 VAL CA C 85 60.062 60.062 60.775 -0.713 25062 1233 1 2 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.120 0.753 25062 1234 1 2 . 1 1 85 85 VAL H H 85 8.464 8.464 9.017 -0.553 25062 1235 1 2 . 1 1 86 86 SER N N 86 121.723 121.723 121.783 -0.060 25062 1236 1 2 . 1 1 86 86 SER HA H 86 4.490 4.490 4.908 -0.418 25062 1237 1 2 . 1 1 86 86 SER C C 86 172.447 172.447 174.749 -2.302 25062 1238 1 2 . 1 1 86 86 SER CA C 86 58.131 58.131 57.210 0.921 25062 1239 1 2 . 1 1 86 86 SER CB C 86 64.121 64.121 66.682 -2.561 25062 1240 1 2 . 1 1 86 86 SER H H 86 8.725 8.725 8.690 0.035 25062 1241 1 2 . 1 1 87 87 GLN N N 87 121.657 121.657 123.170 -1.513 25062 1242 1 2 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.015 0.554 25062 1243 1 2 . 1 1 87 87 GLN C C 87 175.732 175.732 175.642 0.090 25062 1244 1 2 . 1 1 87 87 GLN CA C 87 56.426 56.426 58.464 -2.038 25062 1245 1 2 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.829 0.290 25062 1246 1 2 . 1 1 87 87 GLN H H 87 8.516 8.516 8.822 -0.306 25062 1247 1 2 . 1 1 88 88 ASP N N 88 121.146 121.146 121.325 -0.179 25062 1248 1 2 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.570 0.130 25062 1249 1 2 . 1 1 88 88 ASP C C 88 175.752 175.752 176.564 -0.812 25062 1250 1 2 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.583 -1.504 25062 1251 1 2 . 1 1 88 88 ASP CB C 88 41.203 41.203 39.940 1.263 25062 1252 1 2 . 1 1 88 88 ASP H H 88 8.459 8.459 8.144 0.315 25062 1253 1 2 . 1 1 89 89 GLU N N 89 125.736 125.736 123.786 1.950 25062 1254 1 2 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.951 -0.017 25062 1255 1 2 . 1 1 89 89 GLU C C 89 178.820 178.820 177.870 0.950 25062 1256 1 2 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.511 0.033 25062 1257 1 2 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.947 -0.320 25062 1258 1 2 . 1 1 89 89 GLU H H 89 8.840 8.840 8.196 0.644 25062 1259 1 2 . 1 1 90 90 GLU N N 90 119.813 119.813 120.263 -0.450 25062 1260 1 2 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.132 0.104 25062 1261 1 2 . 1 1 90 90 GLU C C 90 178.385 178.385 178.406 -0.021 25062 1262 1 2 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.194 -0.387 25062 1263 1 2 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.102 0.075 25062 1264 1 2 . 1 1 90 90 GLU H H 90 8.300 8.300 8.590 -0.290 25062 1265 1 2 . 1 1 91 91 ALA N N 91 123.211 123.211 122.080 1.131 25062 1266 1 2 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.237 -0.106 25062 1267 1 2 . 1 1 91 91 ALA C C 91 181.895 181.895 179.729 2.166 25062 1268 1 2 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.733 -0.033 25062 1269 1 2 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.047 -0.166 25062 1270 1 2 . 1 1 91 91 ALA H H 91 7.670 7.670 8.139 -0.469 25062 1271 1 2 . 1 1 92 92 LEU N N 92 118.903 118.903 119.215 -0.312 25062 1272 1 2 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.984 0.021 25062 1273 1 2 . 1 1 92 92 LEU C C 92 177.951 177.951 179.021 -1.070 25062 1274 1 2 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.868 0.082 25062 1275 1 2 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.552 0.630 25062 1276 1 2 . 1 1 92 92 LEU H H 92 8.190 8.190 7.907 0.283 25062 1277 1 2 . 1 1 93 93 ARG N N 93 118.916 118.916 119.050 -0.134 25062 1278 1 2 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.121 -0.023 25062 1279 1 2 . 1 1 93 93 ARG C C 93 178.775 178.775 178.365 0.410 25062 1280 1 2 . 1 1 93 93 ARG CA C 93 59.342 59.342 58.752 0.590 25062 1281 1 2 . 1 1 93 93 ARG CB C 93 30.145 30.145 29.615 0.530 25062 1282 1 2 . 1 1 93 93 ARG H H 93 7.868 7.868 7.975 -0.107 25062 1283 1 2 . 1 1 94 94 LYS N N 94 118.989 118.989 119.456 -0.467 25062 1284 1 2 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.124 -0.067 25062 1285 1 2 . 1 1 94 94 LYS C C 94 179.270 179.270 179.006 0.264 25062 1286 1 2 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.764 -0.529 25062 1287 1 2 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.298 0.136 25062 1288 1 2 . 1 1 94 94 LYS H H 94 8.236 8.236 7.960 0.276 25062 1289 1 2 . 1 1 95 95 GLY N N 95 107.084 107.084 106.475 0.609 25062 1290 1 2 . 1 1 95 95 GLY C C 95 175.285 175.285 176.115 -0.830 25062 1291 1 2 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.829 0.216 25062 1292 1 2 . 1 1 95 95 GLY H H 95 8.296 8.296 7.820 0.476 25062 1293 1 2 . 1 1 96 96 TYR N N 96 121.591 121.591 123.730 -2.139 25062 1294 1 2 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.139 -0.093 25062 1295 1 2 . 1 1 96 96 TYR C C 96 176.428 176.428 177.598 -1.170 25062 1296 1 2 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.947 0.497 25062 1297 1 2 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.512 0.078 25062 1298 1 2 . 1 1 96 96 TYR H H 96 8.372 8.372 7.961 0.411 25062 1299 1 2 . 1 1 97 97 GLU N N 97 117.883 117.883 117.549 0.334 25062 1300 1 2 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.725 0.106 25062 1301 1 2 . 1 1 97 97 GLU C C 97 178.775 178.775 178.822 -0.047 25062 1302 1 2 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.050 0.199 25062 1303 1 2 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.408 0.134 25062 1304 1 2 . 1 1 97 97 GLU H H 97 8.205 8.205 7.925 0.280 25062 1305 1 2 . 1 1 98 98 ASP N N 98 117.644 117.644 120.350 -2.706 25062 1306 1 2 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.382 -0.037 25062 1307 1 2 . 1 1 98 98 ASP C C 98 177.978 177.978 178.718 -0.740 25062 1308 1 2 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.243 -0.131 25062 1309 1 2 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.955 1.036 25062 1310 1 2 . 1 1 98 98 ASP H H 98 8.139 8.139 8.186 -0.047 25062 1311 1 2 . 1 1 99 99 LYS N N 99 116.691 116.691 118.815 -2.124 25062 1312 1 2 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.262 -0.238 25062 1313 1 2 . 1 1 99 99 LYS C C 99 178.061 178.061 178.552 -0.491 25062 1314 1 2 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.398 -0.392 25062 1315 1 2 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.559 -0.183 25062 1316 1 2 . 1 1 99 99 LYS H H 99 7.886 7.886 7.644 0.242 25062 1317 1 2 . 1 1 100 100 LYS N N 100 120.645 120.645 120.487 0.158 25062 1318 1 2 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.203 -0.129 25062 1319 1 2 . 1 1 100 100 LYS C C 100 180.486 180.486 178.181 2.305 25062 1320 1 2 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.909 -0.726 25062 1321 1 2 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.265 -0.899 25062 1322 1 2 . 1 1 100 100 LYS H H 100 8.395 8.395 7.760 0.635 25062 1323 1 2 . 1 1 101 101 LYS N N 101 119.297 119.297 116.943 2.354 25062 1324 1 2 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.037 0.045 25062 1325 1 2 . 1 1 101 101 LYS C C 101 177.669 177.669 178.052 -0.383 25062 1326 1 2 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.395 0.071 25062 1327 1 2 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.003 0.242 25062 1328 1 2 . 1 1 101 101 LYS H H 101 7.713 7.713 7.812 -0.099 25062 1329 1 2 . 1 1 102 102 LYS N N 102 116.847 116.847 117.385 -0.538 25062 1330 1 2 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.092 0.001 25062 1331 1 2 . 1 1 102 102 LYS C C 102 176.357 176.357 176.123 0.234 25062 1332 1 2 . 1 1 102 102 LYS CA C 102 55.789 55.789 56.083 -0.294 25062 1333 1 2 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.154 -0.152 25062 1334 1 2 . 1 1 102 102 LYS H H 102 7.124 7.124 7.206 -0.082 25062 1335 1 2 . 1 1 103 103 GLY N N 103 105.781 105.781 106.267 -0.486 25062 1336 1 2 . 1 1 103 103 GLY C C 103 174.378 174.378 174.186 0.192 25062 1337 1 2 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.816 0.238 25062 1338 1 2 . 1 1 103 103 GLY H H 103 7.771 7.771 7.295 0.476 25062 1339 1 2 . 1 1 104 104 TYR N N 104 119.257 119.257 119.072 0.185 25062 1340 1 2 . 1 1 104 104 TYR HA H 104 4.938 4.938 5.013 -0.075 25062 1341 1 2 . 1 1 104 104 TYR C C 104 175.223 175.223 175.186 0.037 25062 1342 1 2 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.005 -0.554 25062 1343 1 2 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.181 -1.436 25062 1344 1 2 . 1 1 104 104 TYR H H 104 6.914 6.914 7.481 -0.567 25062 1345 1 2 . 1 1 105 105 ASP N N 105 122.574 122.574 125.106 -2.532 25062 1346 1 2 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.557 0.224 25062 1347 1 2 . 1 1 105 105 ASP C C 105 174.818 174.818 175.307 -0.489 25062 1348 1 2 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.119 -0.904 25062 1349 1 2 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.587 1.214 25062 1350 1 2 . 1 1 105 105 ASP H H 105 8.223 8.223 8.541 -0.318 25062 1351 1 2 . 1 1 106 106 VAL N N 106 121.990 121.990 123.231 -1.241 25062 1352 1 2 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.835 0.422 25062 1353 1 2 . 1 1 106 106 VAL C C 106 173.835 173.835 175.495 -1.660 25062 1354 1 2 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.200 -1.158 25062 1355 1 2 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.372 1.007 25062 1356 1 2 . 1 1 106 106 VAL H H 106 7.876 7.876 7.857 0.019 25062 1357 1 2 . 1 1 107 107 TYR N N 107 125.444 125.444 126.182 -0.738 25062 1358 1 2 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.931 0.076 25062 1359 1 2 . 1 1 107 107 TYR C C 107 174.765 174.765 174.819 -0.054 25062 1360 1 2 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.482 -0.417 25062 1361 1 2 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.121 -0.232 25062 1362 1 2 . 1 1 107 107 TYR H H 107 9.400 9.400 9.272 0.128 25062 1363 1 2 . 1 1 108 108 THR N N 108 111.100 111.100 115.227 -4.127 25062 1364 1 2 . 1 1 108 108 THR HA H 108 5.212 5.212 5.148 0.064 25062 1365 1 2 . 1 1 108 108 THR C C 108 174.350 174.350 174.006 0.344 25062 1366 1 2 . 1 1 108 108 THR CA C 108 59.514 59.514 60.331 -0.817 25062 1367 1 2 . 1 1 108 108 THR CB C 108 70.911 70.911 70.303 0.608 25062 1368 1 2 . 1 1 108 108 THR H H 108 8.801 8.801 8.379 0.422 25062 1369 1 2 . 1 1 109 109 SER N N 109 114.650 114.650 119.516 -4.866 25062 1370 1 2 . 1 1 109 109 SER HA H 109 4.901 4.901 4.871 0.030 25062 1371 1 2 . 1 1 109 109 SER C C 109 172.399 172.399 174.339 -1.940 25062 1372 1 2 . 1 1 109 109 SER CA C 109 57.974 57.974 57.130 0.844 25062 1373 1 2 . 1 1 109 109 SER CB C 109 67.764 67.764 66.972 0.792 25062 1374 1 2 . 1 1 109 109 SER H H 109 8.565 8.565 8.810 -0.245 25062 1375 1 2 . 1 1 110 110 ARG N N 110 119.807 119.807 122.806 -2.999 25062 1376 1 2 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.796 0.213 25062 1377 1 2 . 1 1 110 110 ARG C C 110 175.995 175.995 176.404 -0.409 25062 1378 1 2 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.456 -1.448 25062 1379 1 2 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.124 0.693 25062 1380 1 2 . 1 1 110 110 ARG H H 110 8.948 8.948 8.397 0.551 25062 1381 1 2 . 1 1 111 111 ASN N N 111 110.690 110.690 113.224 -2.534 25062 1382 1 2 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.851 -0.218 25062 1383 1 2 . 1 1 111 111 ASN C C 111 174.460 174.460 174.536 -0.076 25062 1384 1 2 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.251 -0.881 25062 1385 1 2 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.753 0.364 25062 1386 1 2 . 1 1 111 111 ASN H H 111 7.426 7.426 7.889 -0.463 25062 1387 1 2 . 1 1 112 112 GLU N N 112 119.451 119.451 120.244 -0.793 25062 1388 1 2 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.944 -0.136 25062 1389 1 2 . 1 1 112 112 GLU C C 112 176.445 176.445 177.675 -1.230 25062 1390 1 2 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.248 -0.055 25062 1391 1 2 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.418 1.188 25062 1392 1 2 . 1 1 112 112 GLU H H 112 9.529 9.529 8.953 0.576 25062 1393 1 2 . 1 1 113 113 ASP N N 113 120.739 120.739 117.643 3.096 25062 1394 1 2 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.349 0.020 25062 1395 1 2 . 1 1 113 113 ASP C C 113 179.043 179.043 178.843 0.200 25062 1396 1 2 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.701 0.404 25062 1397 1 2 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.147 0.800 25062 1398 1 2 . 1 1 113 113 ASP H H 113 8.256 8.256 8.636 -0.380 25062 1399 1 2 . 1 1 114 114 GLU N N 114 119.817 119.817 119.779 0.038 25062 1400 1 2 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.014 0.036 25062 1401 1 2 . 1 1 114 114 GLU C C 114 178.770 178.770 178.682 0.088 25062 1402 1 2 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.388 -0.148 25062 1403 1 2 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.126 1.530 25062 1404 1 2 . 1 1 114 114 GLU H H 114 8.577 8.577 7.776 0.801 25062 1405 1 2 . 1 1 115 115 ALA N N 115 121.470 121.470 121.972 -0.502 25062 1406 1 2 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.070 -0.015 25062 1407 1 2 . 1 1 115 115 ALA C C 115 178.962 178.962 179.458 -0.496 25062 1408 1 2 . 1 1 115 115 ALA CA C 115 55.213 55.213 54.947 0.266 25062 1409 1 2 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.295 1.562 25062 1410 1 2 . 1 1 115 115 ALA H H 115 8.358 8.358 7.860 0.498 25062 1411 1 2 . 1 1 116 116 LYS N N 116 117.285 117.285 117.896 -0.611 25062 1412 1 2 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.022 -0.364 25062 1413 1 2 . 1 1 116 116 LYS C C 116 178.583 178.583 178.773 -0.190 25062 1414 1 2 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.674 1.243 25062 1415 1 2 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.311 0.500 25062 1416 1 2 . 1 1 116 116 LYS H H 116 8.350 8.350 8.436 -0.086 25062 1417 1 2 . 1 1 117 117 LYS N N 117 118.433 118.433 119.554 -1.121 25062 1418 1 2 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.025 -0.039 25062 1419 1 2 . 1 1 117 117 LYS C C 117 179.380 179.380 178.941 0.439 25062 1420 1 2 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.463 0.142 25062 1421 1 2 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.438 -0.056 25062 1422 1 2 . 1 1 117 117 LYS H H 117 7.345 7.345 7.517 -0.172 25062 1423 1 2 . 1 1 118 118 LYS N N 118 118.166 118.166 119.063 -0.897 25062 1424 1 2 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.862 0.077 25062 1425 1 2 . 1 1 118 118 LYS C C 118 178.088 178.088 179.012 -0.924 25062 1426 1 2 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.697 -1.141 25062 1427 1 2 . 1 1 118 118 LYS CB C 118 31.140 31.140 32.044 -0.904 25062 1428 1 2 . 1 1 118 118 LYS H H 118 8.130 8.130 7.764 0.366 25062 1429 1 2 . 1 1 119 119 LEU N N 119 120.654 120.654 120.749 -0.095 25062 1430 1 2 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.941 -0.157 25062 1431 1 2 . 1 1 119 119 LEU C C 119 177.567 177.567 177.945 -0.378 25062 1432 1 2 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.789 0.125 25062 1433 1 2 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.794 0.380 25062 1434 1 2 . 1 1 119 119 LEU H H 119 8.592 8.592 8.084 0.508 25062 1435 1 2 . 1 1 120 120 LYS N N 120 118.314 118.314 118.539 -0.225 25062 1436 1 2 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.534 0.011 25062 1437 1 2 . 1 1 120 120 LYS C C 120 178.624 178.624 178.937 -0.313 25062 1438 1 2 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.736 0.554 25062 1439 1 2 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.065 -0.301 25062 1440 1 2 . 1 1 120 120 LYS H H 120 7.753 7.753 7.389 0.364 25062 1441 1 2 . 1 1 121 121 GLU N N 121 118.446 118.446 119.463 -1.017 25062 1442 1 2 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.233 -0.227 25062 1443 1 2 . 1 1 121 121 GLU C C 121 178.744 178.744 178.676 0.068 25062 1444 1 2 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.280 0.259 25062 1445 1 2 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.479 -0.116 25062 1446 1 2 . 1 1 121 121 GLU H H 121 7.777 7.777 7.958 -0.181 25062 1447 1 2 . 1 1 122 122 ALA N N 122 121.333 121.333 121.720 -0.387 25062 1448 1 2 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.126 -0.170 25062 1449 1 2 . 1 1 122 122 ALA C C 122 179.973 179.973 179.411 0.562 25062 1450 1 2 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.554 0.406 25062 1451 1 2 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.521 -0.093 25062 1452 1 2 . 1 1 122 122 ALA H H 122 8.229 8.229 7.439 0.790 25062 1453 1 2 . 1 1 123 123 LEU N N 123 118.790 118.790 118.288 0.502 25062 1454 1 2 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.986 -0.206 25062 1455 1 2 . 1 1 123 123 LEU C C 123 179.703 179.703 179.469 0.234 25062 1456 1 2 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.149 0.740 25062 1457 1 2 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.584 -0.732 25062 1458 1 2 . 1 1 123 123 LEU H H 123 8.177 8.177 7.675 0.502 25062 1459 1 2 . 1 1 124 124 GLU N N 124 120.881 120.881 119.727 1.154 25062 1460 1 2 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.424 -0.280 25062 1461 1 2 . 1 1 124 124 GLU C C 124 179.732 179.732 179.352 0.380 25062 1462 1 2 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.286 0.153 25062 1463 1 2 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.845 -0.325 25062 1464 1 2 . 1 1 124 124 GLU H H 124 8.393 8.393 8.063 0.329 25062 1465 1 2 . 1 1 125 125 LYS N N 125 119.526 119.526 119.505 0.021 25062 1466 1 2 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.157 0.102 25062 1467 1 2 . 1 1 125 125 LYS C C 125 177.862 177.862 178.045 -0.183 25062 1468 1 2 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.660 -0.715 25062 1469 1 2 . 1 1 125 125 LYS CB C 125 32.357 32.357 31.901 0.456 25062 1470 1 2 . 1 1 125 125 LYS H H 125 8.290 8.290 7.969 0.321 25062 1471 1 2 . 1 1 126 126 SER N N 126 114.103 114.103 113.116 0.987 25062 1472 1 2 . 1 1 126 126 SER HA H 126 4.385 4.385 4.408 -0.023 25062 1473 1 2 . 1 1 126 126 SER C C 126 174.460 174.460 175.370 -0.910 25062 1474 1 2 . 1 1 126 126 SER CA C 126 59.611 59.611 58.928 0.683 25062 1475 1 2 . 1 1 126 126 SER CB C 126 63.479 63.479 64.017 -0.538 25062 1476 1 2 . 1 1 126 126 SER H H 126 7.702 7.702 7.838 -0.136 25062 1477 1 2 . 1 1 127 127 GLY N N 127 108.584 108.584 108.501 0.083 25062 1478 1 2 . 1 1 127 127 GLY C C 127 174.103 174.103 174.366 -0.263 25062 1479 1 2 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.827 0.610 25062 1480 1 2 . 1 1 127 127 GLY H H 127 7.933 7.933 7.668 0.266 25062 1481 1 2 . 1 1 128 128 SER N N 128 115.990 115.990 121.342 -5.352 25062 1482 1 2 . 1 1 128 128 SER HA H 128 4.590 4.590 4.320 0.270 25062 1483 1 2 . 1 1 128 128 SER C C 128 174.412 174.412 173.564 0.848 25062 1484 1 2 . 1 1 128 128 SER CA C 128 57.986 57.986 59.535 -1.549 25062 1485 1 2 . 1 1 128 128 SER CB C 128 63.336 63.336 62.756 0.580 25062 1486 1 2 . 1 1 128 128 SER H H 128 8.091 8.091 8.009 0.082 25062 1487 1 2 . 1 1 129 129 LEU N N 129 125.492 125.492 127.227 -1.735 25062 1488 1 2 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.308 0.133 25062 1489 1 2 . 1 1 129 129 LEU C C 129 177.084 177.084 175.872 1.212 25062 1490 1 2 . 1 1 129 129 LEU CA C 129 54.876 54.876 52.916 1.960 25062 1491 1 2 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.826 -1.517 25062 1492 1 2 . 1 1 129 129 LEU H H 129 8.262 8.262 7.899 0.363 25062 1493 1 2 . 1 1 130 130 GLU N N 130 121.006 121.006 117.872 3.134 25062 1494 1 2 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.108 -0.133 25062 1495 1 2 . 1 1 130 130 GLU C C 130 176.435 176.435 177.911 -1.476 25062 1496 1 2 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.286 0.526 25062 1497 1 2 . 1 1 130 130 GLU CB C 130 30.279 30.279 29.429 0.850 25062 1498 1 2 . 1 1 130 130 GLU H H 130 8.398 8.398 7.635 0.763 25062 1499 1 2 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.089 0.502 25062 1500 1 2 . 1 1 131 131 HIS C C 131 174.179 174.179 175.547 -1.368 25062 1501 1 2 . 1 1 131 131 HIS CA C 131 56.149 56.149 58.949 -2.800 25062 1502 1 2 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.724 1.107 25062 1503 1 2 . 1 1 132 132 HIS N N 132 125.794 125.794 115.882 9.912 25062 1504 1 2 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.547 -0.131 25062 1505 1 2 . 1 1 132 132 HIS C C 132 179.523 179.523 175.132 4.391 25062 1506 1 2 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.325 2.191 25062 1507 1 2 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.487 1.521 25062 1508 1 2 . 1 1 132 132 HIS H H 132 7.935 7.935 8.042 -0.107 25062 1509 1 3 . 1 1 2 2 GLY N N 2 109.342 109.342 107.933 1.409 25062 1510 1 3 . 1 1 2 2 GLY C C 2 172.736 172.736 172.434 0.302 25062 1511 1 3 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.805 0.851 25062 1512 1 3 . 1 1 2 2 GLY H H 2 8.632 8.632 8.484 0.148 25062 1513 1 3 . 1 1 3 3 VAL N N 3 123.457 123.457 123.556 -0.099 25062 1514 1 3 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.491 0.490 25062 1515 1 3 . 1 1 3 3 VAL C C 3 173.780 173.780 174.503 -0.723 25062 1516 1 3 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.848 -1.498 25062 1517 1 3 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.948 0.165 25062 1518 1 3 . 1 1 3 3 VAL H H 3 7.516 7.516 7.671 -0.155 25062 1519 1 3 . 1 1 4 4 VAL N N 4 125.375 125.375 127.111 -1.736 25062 1520 1 3 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.649 -0.118 25062 1521 1 3 . 1 1 4 4 VAL C C 4 173.185 173.185 175.016 -1.831 25062 1522 1 3 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.600 -0.099 25062 1523 1 3 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.328 1.467 25062 1524 1 3 . 1 1 4 4 VAL H H 4 8.810 8.810 8.701 0.109 25062 1525 1 3 . 1 1 5 5 ILE N N 5 127.180 127.180 129.323 -2.143 25062 1526 1 3 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.652 0.217 25062 1527 1 3 . 1 1 5 5 ILE C C 5 174.303 174.303 175.015 -0.712 25062 1528 1 3 . 1 1 5 5 ILE CA C 5 59.410 59.410 59.960 -0.550 25062 1529 1 3 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.132 0.511 25062 1530 1 3 . 1 1 5 5 ILE H H 5 8.800 8.800 8.952 -0.152 25062 1531 1 3 . 1 1 6 6 LEU N N 6 129.025 129.025 129.490 -0.465 25062 1532 1 3 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.880 0.133 25062 1533 1 3 . 1 1 6 6 LEU C C 6 174.847 174.847 176.114 -1.267 25062 1534 1 3 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.831 -0.363 25062 1535 1 3 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.239 2.054 25062 1536 1 3 . 1 1 6 6 LEU H H 6 9.424 9.424 8.831 0.593 25062 1537 1 3 . 1 1 7 7 VAL N N 7 123.364 123.364 126.012 -2.648 25062 1538 1 3 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.604 0.053 25062 1539 1 3 . 1 1 7 7 VAL C C 7 174.210 174.210 175.449 -1.239 25062 1540 1 3 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.572 0.255 25062 1541 1 3 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.781 0.472 25062 1542 1 3 . 1 1 7 7 VAL H H 7 8.653 8.653 8.626 0.027 25062 1543 1 3 . 1 1 8 8 LEU N N 8 130.560 130.560 131.522 -0.962 25062 1544 1 3 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.819 0.477 25062 1545 1 3 . 1 1 8 8 LEU C C 8 175.744 175.744 176.905 -1.161 25062 1546 1 3 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.399 -0.513 25062 1547 1 3 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.211 1.285 25062 1548 1 3 . 1 1 8 8 LEU H H 8 9.069 9.069 8.763 0.306 25062 1549 1 3 . 1 1 9 9 THR N N 9 112.810 112.810 114.974 -2.164 25062 1550 1 3 . 1 1 9 9 THR HA H 9 4.959 4.959 5.016 -0.057 25062 1551 1 3 . 1 1 9 9 THR C C 9 174.213 174.213 175.702 -1.489 25062 1552 1 3 . 1 1 9 9 THR CA C 9 59.948 59.948 59.950 -0.002 25062 1553 1 3 . 1 1 9 9 THR CB C 9 70.756 70.756 71.103 -0.347 25062 1554 1 3 . 1 1 9 9 THR H H 9 8.028 8.028 8.795 -0.767 25062 1555 1 3 . 1 1 10 10 GLY N N 10 107.740 107.740 110.098 -2.358 25062 1556 1 3 . 1 1 10 10 GLY C C 10 173.064 173.064 173.570 -0.506 25062 1557 1 3 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.291 0.139 25062 1558 1 3 . 1 1 10 10 GLY H H 10 7.827 7.827 8.556 -0.729 25062 1559 1 3 . 1 1 11 11 ASP N N 11 119.119 119.119 118.177 0.942 25062 1560 1 3 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.750 0.103 25062 1561 1 3 . 1 1 11 11 ASP C C 11 176.118 176.118 175.858 0.260 25062 1562 1 3 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.010 -0.038 25062 1563 1 3 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.467 -0.226 25062 1564 1 3 . 1 1 11 11 ASP H H 11 7.642 7.642 7.519 0.123 25062 1565 1 3 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.982 0.118 25062 1566 1 3 . 1 1 12 12 GLU C C 12 178.508 178.508 177.759 0.749 25062 1567 1 3 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.203 -0.738 25062 1568 1 3 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.004 -0.671 25062 1569 1 3 . 1 1 13 13 ARG N N 13 121.589 121.589 119.204 2.385 25062 1570 1 3 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.077 0.060 25062 1571 1 3 . 1 1 13 13 ARG C C 13 179.625 179.625 178.547 1.078 25062 1572 1 3 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.792 0.626 25062 1573 1 3 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.921 -0.566 25062 1574 1 3 . 1 1 13 13 ARG H H 13 8.593 8.593 8.418 0.175 25062 1575 1 3 . 1 1 14 14 ILE N N 14 119.911 119.911 119.924 -0.013 25062 1576 1 3 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.651 -0.001 25062 1577 1 3 . 1 1 14 14 ILE C C 14 177.727 177.727 177.248 0.479 25062 1578 1 3 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.788 0.370 25062 1579 1 3 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.684 -0.345 25062 1580 1 3 . 1 1 14 14 ILE H H 14 7.823 7.823 7.930 -0.107 25062 1581 1 3 . 1 1 15 15 ALA N N 15 121.015 121.015 120.898 0.117 25062 1582 1 3 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.806 -0.087 25062 1583 1 3 . 1 1 15 15 ALA C C 15 178.994 178.994 179.150 -0.156 25062 1584 1 3 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.998 0.892 25062 1585 1 3 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.688 0.163 25062 1586 1 3 . 1 1 15 15 ALA H H 15 7.610 7.610 7.525 0.085 25062 1587 1 3 . 1 1 16 16 GLU N N 16 117.655 117.655 118.795 -1.140 25062 1588 1 3 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.794 0.340 25062 1589 1 3 . 1 1 16 16 GLU C C 16 178.517 178.517 178.547 -0.030 25062 1590 1 3 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.240 -0.961 25062 1591 1 3 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.508 -0.286 25062 1592 1 3 . 1 1 16 16 GLU H H 16 7.808 7.808 7.582 0.226 25062 1593 1 3 . 1 1 17 17 GLU N N 17 119.648 119.648 119.490 0.158 25062 1594 1 3 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.030 0.024 25062 1595 1 3 . 1 1 17 17 GLU C C 17 180.213 180.213 179.382 0.831 25062 1596 1 3 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.981 0.253 25062 1597 1 3 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.425 -0.273 25062 1598 1 3 . 1 1 17 17 GLU H H 17 8.002 8.002 7.982 0.020 25062 1599 1 3 . 1 1 18 18 LEU N N 18 119.118 119.118 119.024 0.094 25062 1600 1 3 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.027 0.073 25062 1601 1 3 . 1 1 18 18 LEU C C 18 178.233 178.233 178.842 -0.609 25062 1602 1 3 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.940 -0.134 25062 1603 1 3 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.712 -0.841 25062 1604 1 3 . 1 1 18 18 LEU H H 18 8.554 8.554 8.337 0.217 25062 1605 1 3 . 1 1 19 19 ARG N N 19 122.158 122.158 119.882 2.276 25062 1606 1 3 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.161 -0.346 25062 1607 1 3 . 1 1 19 19 ARG C C 19 178.686 178.686 178.490 0.196 25062 1608 1 3 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.869 1.047 25062 1609 1 3 . 1 1 19 19 ARG CB C 19 29.339 29.339 30.165 -0.826 25062 1610 1 3 . 1 1 19 19 ARG H H 19 8.274 8.274 7.444 0.830 25062 1611 1 3 . 1 1 20 20 LYS N N 20 118.130 118.130 117.248 0.882 25062 1612 1 3 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.069 -0.134 25062 1613 1 3 . 1 1 20 20 LYS C C 20 179.078 179.078 179.013 0.065 25062 1614 1 3 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.367 0.386 25062 1615 1 3 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.749 0.691 25062 1616 1 3 . 1 1 20 20 LYS H H 20 7.977 7.977 7.877 0.100 25062 1617 1 3 . 1 1 21 21 GLU N N 21 120.451 120.451 119.874 0.577 25062 1618 1 3 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.157 -0.102 25062 1619 1 3 . 1 1 21 21 GLU C C 21 178.995 178.995 179.206 -0.211 25062 1620 1 3 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.021 0.082 25062 1621 1 3 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.220 -0.057 25062 1622 1 3 . 1 1 21 21 GLU H H 21 7.813 7.813 7.719 0.094 25062 1623 1 3 . 1 1 22 22 VAL N N 22 119.654 119.654 120.515 -0.861 25062 1624 1 3 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.671 -0.231 25062 1625 1 3 . 1 1 22 22 VAL C C 22 176.428 176.428 178.064 -1.636 25062 1626 1 3 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.034 0.087 25062 1627 1 3 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.455 -0.003 25062 1628 1 3 . 1 1 22 22 VAL H H 22 8.146 8.146 7.885 0.261 25062 1629 1 3 . 1 1 23 23 GLN N N 23 116.884 116.884 118.215 -1.331 25062 1630 1 3 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.318 -0.366 25062 1631 1 3 . 1 1 23 23 GLN C C 23 177.429 177.429 178.754 -1.325 25062 1632 1 3 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.999 0.767 25062 1633 1 3 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.074 0.477 25062 1634 1 3 . 1 1 23 23 GLN H H 23 7.588 7.588 7.982 -0.394 25062 1635 1 3 . 1 1 24 24 LYS N N 24 116.529 116.529 118.381 -1.852 25062 1636 1 3 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.228 -0.232 25062 1637 1 3 . 1 1 24 24 LYS C C 24 177.508 177.508 178.330 -0.822 25062 1638 1 3 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.689 0.725 25062 1639 1 3 . 1 1 24 24 LYS CB C 24 32.917 32.917 31.938 0.979 25062 1640 1 3 . 1 1 24 24 LYS H H 24 7.544 7.544 7.723 -0.179 25062 1641 1 3 . 1 1 25 25 HIS N N 25 119.657 119.657 118.185 1.472 25062 1642 1 3 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.711 -0.458 25062 1643 1 3 . 1 1 25 25 HIS C C 25 175.915 175.915 175.185 0.730 25062 1644 1 3 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.330 1.112 25062 1645 1 3 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.026 0.844 25062 1646 1 3 . 1 1 25 25 HIS H H 25 7.809 7.809 7.966 -0.157 25062 1647 1 3 . 1 1 26 26 ASP N N 26 113.221 113.221 116.520 -3.299 25062 1648 1 3 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.930 -0.195 25062 1649 1 3 . 1 1 26 26 ASP C C 26 173.856 173.856 174.197 -0.341 25062 1650 1 3 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.200 -0.530 25062 1651 1 3 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.940 -0.574 25062 1652 1 3 . 1 1 26 26 ASP H H 26 8.358 8.358 8.187 0.171 25062 1653 1 3 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.891 -0.325 25062 1654 1 3 . 1 1 27 27 PRO C C 27 176.845 176.845 176.266 0.579 25062 1655 1 3 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.471 0.406 25062 1656 1 3 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.373 -0.088 25062 1657 1 3 . 1 1 28 28 ASN N N 28 115.529 115.529 117.064 -1.535 25062 1658 1 3 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.917 -0.245 25062 1659 1 3 . 1 1 28 28 ASN C C 28 175.632 175.632 174.644 0.988 25062 1660 1 3 . 1 1 28 28 ASN CA C 28 53.815 53.815 52.745 1.071 25062 1661 1 3 . 1 1 28 28 ASN CB C 28 39.094 39.094 40.133 -1.039 25062 1662 1 3 . 1 1 28 28 ASN H H 28 8.570 8.570 8.427 0.143 25062 1663 1 3 . 1 1 29 29 VAL N N 29 121.867 121.867 121.367 0.500 25062 1664 1 3 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.856 0.028 25062 1665 1 3 . 1 1 29 29 VAL C C 29 175.085 175.085 176.189 -1.104 25062 1666 1 3 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.350 0.825 25062 1667 1 3 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.894 0.104 25062 1668 1 3 . 1 1 29 29 VAL H H 29 7.465 7.465 7.372 0.093 25062 1669 1 3 . 1 1 30 30 LYS N N 30 130.242 130.242 126.432 3.810 25062 1670 1 3 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.417 0.017 25062 1671 1 3 . 1 1 30 30 LYS C C 30 175.093 175.093 175.849 -0.756 25062 1672 1 3 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.413 -0.040 25062 1673 1 3 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.019 -0.592 25062 1674 1 3 . 1 1 30 30 LYS H H 30 9.036 9.036 8.301 0.735 25062 1675 1 3 . 1 1 31 31 THR N N 31 113.173 113.173 113.968 -0.795 25062 1676 1 3 . 1 1 31 31 THR HA H 31 5.688 5.688 5.160 0.528 25062 1677 1 3 . 1 1 31 31 THR C C 31 174.708 174.708 173.766 0.942 25062 1678 1 3 . 1 1 31 31 THR CA C 31 58.537 58.537 60.478 -1.941 25062 1679 1 3 . 1 1 31 31 THR CB C 31 71.419 71.419 71.736 -0.317 25062 1680 1 3 . 1 1 31 31 THR H H 31 8.185 8.185 8.400 -0.215 25062 1681 1 3 . 1 1 32 32 VAL N N 32 122.168 122.168 124.861 -2.693 25062 1682 1 3 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.660 0.235 25062 1683 1 3 . 1 1 32 32 VAL C C 32 173.388 173.388 173.779 -0.391 25062 1684 1 3 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.487 -0.754 25062 1685 1 3 . 1 1 32 32 VAL CB C 32 33.904 33.904 35.461 -1.557 25062 1686 1 3 . 1 1 32 32 VAL H H 32 8.968 8.968 8.626 0.342 25062 1687 1 3 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.169 -0.195 25062 1688 1 3 . 1 1 33 33 PRO C C 33 177.848 177.848 178.277 -0.429 25062 1689 1 3 . 1 1 33 33 PRO CA C 33 62.342 62.342 61.832 0.510 25062 1690 1 3 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.841 0.180 25062 1691 1 3 . 1 1 34 34 THR N N 34 114.266 114.266 112.252 2.014 25062 1692 1 3 . 1 1 34 34 THR HA H 34 4.118 4.118 4.020 0.098 25062 1693 1 3 . 1 1 34 34 THR C C 34 176.879 176.879 176.351 0.528 25062 1694 1 3 . 1 1 34 34 THR CA C 34 64.607 64.607 65.930 -1.323 25062 1695 1 3 . 1 1 34 34 THR CB C 34 68.311 68.311 68.607 -0.296 25062 1696 1 3 . 1 1 34 34 THR H H 34 9.033 9.033 8.543 0.490 25062 1697 1 3 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.224 0.021 25062 1698 1 3 . 1 1 35 35 LYS C C 35 176.639 176.639 176.864 -0.225 25062 1699 1 3 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.280 0.854 25062 1700 1 3 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.010 1.293 25062 1701 1 3 . 1 1 36 36 ASP N N 36 120.993 120.993 120.085 0.908 25062 1702 1 3 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.828 0.187 25062 1703 1 3 . 1 1 36 36 ASP C C 36 176.202 176.202 175.321 0.881 25062 1704 1 3 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.777 -0.341 25062 1705 1 3 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.902 0.208 25062 1706 1 3 . 1 1 36 36 ASP H H 36 7.726 7.726 7.727 -0.001 25062 1707 1 3 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.856 0.132 25062 1708 1 3 . 1 1 37 37 LYS C C 37 177.948 177.948 177.850 0.098 25062 1709 1 3 . 1 1 37 37 LYS CA C 37 59.308 59.308 60.293 -0.985 25062 1710 1 3 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.601 0.247 25062 1711 1 3 . 1 1 38 38 GLU N N 38 119.141 119.141 116.479 2.662 25062 1712 1 3 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.120 0.130 25062 1713 1 3 . 1 1 38 38 GLU C C 38 178.054 178.054 178.170 -0.116 25062 1714 1 3 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.819 -0.317 25062 1715 1 3 . 1 1 38 38 GLU CB C 38 29.207 29.207 28.843 0.364 25062 1716 1 3 . 1 1 38 38 GLU H H 38 8.883 8.883 8.549 0.334 25062 1717 1 3 . 1 1 39 39 LYS N N 39 118.440 118.440 118.104 0.336 25062 1718 1 3 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.353 0.154 25062 1719 1 3 . 1 1 39 39 LYS C C 39 177.126 177.126 177.875 -0.749 25062 1720 1 3 . 1 1 39 39 LYS CA C 39 56.307 56.307 56.017 0.290 25062 1721 1 3 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.856 -0.432 25062 1722 1 3 . 1 1 39 39 LYS H H 39 8.064 8.064 7.437 0.627 25062 1723 1 3 . 1 1 40 40 VAL N N 40 118.130 118.130 120.766 -2.636 25062 1724 1 3 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.586 -0.191 25062 1725 1 3 . 1 1 40 40 VAL C C 40 176.934 176.934 177.487 -0.553 25062 1726 1 3 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.854 0.767 25062 1727 1 3 . 1 1 40 40 VAL CB C 40 31.655 31.655 30.985 0.670 25062 1728 1 3 . 1 1 40 40 VAL H H 40 7.308 7.308 7.862 -0.554 25062 1729 1 3 . 1 1 41 41 LYS N N 41 118.555 118.555 119.490 -0.935 25062 1730 1 3 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.884 -0.241 25062 1731 1 3 . 1 1 41 41 LYS C C 41 178.363 178.363 178.760 -0.397 25062 1732 1 3 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.749 1.538 25062 1733 1 3 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.879 -0.425 25062 1734 1 3 . 1 1 41 41 LYS H H 41 8.150 8.150 8.435 -0.285 25062 1735 1 3 . 1 1 42 42 GLU N N 42 119.454 119.454 118.006 1.448 25062 1736 1 3 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.026 0.072 25062 1737 1 3 . 1 1 42 42 GLU C C 42 179.552 179.552 178.689 0.863 25062 1738 1 3 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.635 -0.379 25062 1739 1 3 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.358 0.236 25062 1740 1 3 . 1 1 42 42 GLU H H 42 8.067 8.067 7.880 0.187 25062 1741 1 3 . 1 1 43 43 GLU N N 43 118.427 118.427 118.758 -0.331 25062 1742 1 3 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.215 0.080 25062 1743 1 3 . 1 1 43 43 GLU C C 43 180.076 180.076 179.103 0.973 25062 1744 1 3 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.105 0.350 25062 1745 1 3 . 1 1 43 43 GLU CB C 43 28.645 28.645 28.899 -0.254 25062 1746 1 3 . 1 1 43 43 GLU H H 43 8.189 8.189 7.522 0.667 25062 1747 1 3 . 1 1 44 44 ILE N N 44 122.905 122.905 121.441 1.464 25062 1748 1 3 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.672 -0.037 25062 1749 1 3 . 1 1 44 44 ILE C C 44 176.828 176.828 177.611 -0.783 25062 1750 1 3 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.914 0.483 25062 1751 1 3 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.815 -0.276 25062 1752 1 3 . 1 1 44 44 ILE H H 44 8.734 8.734 8.478 0.256 25062 1753 1 3 . 1 1 45 45 GLU N N 45 120.098 120.098 120.940 -0.842 25062 1754 1 3 . 1 1 45 45 GLU HA H 45 4.139 4.139 3.983 0.156 25062 1755 1 3 . 1 1 45 45 GLU C C 45 178.930 178.930 178.780 0.150 25062 1756 1 3 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.777 -0.288 25062 1757 1 3 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.503 -0.355 25062 1758 1 3 . 1 1 45 45 GLU H H 45 8.099 8.099 8.134 -0.035 25062 1759 1 3 . 1 1 46 46 LYS N N 46 118.360 118.360 118.990 -0.630 25062 1760 1 3 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.035 -0.027 25062 1761 1 3 . 1 1 46 46 LYS C C 46 178.775 178.775 178.915 -0.140 25062 1762 1 3 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.157 0.745 25062 1763 1 3 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.345 0.357 25062 1764 1 3 . 1 1 46 46 LYS H H 46 7.854 7.854 7.749 0.105 25062 1765 1 3 . 1 1 47 47 ALA N N 47 122.551 122.551 121.968 0.583 25062 1766 1 3 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.989 0.139 25062 1767 1 3 . 1 1 47 47 ALA C C 47 180.095 180.095 179.281 0.814 25062 1768 1 3 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.253 0.150 25062 1769 1 3 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.388 -0.683 25062 1770 1 3 . 1 1 47 47 ALA H H 47 8.135 8.135 7.956 0.179 25062 1771 1 3 . 1 1 48 48 ARG N N 48 118.945 118.945 119.027 -0.082 25062 1772 1 3 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.028 0.029 25062 1773 1 3 . 1 1 48 48 ARG C C 48 179.960 179.960 179.169 0.791 25062 1774 1 3 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.376 -0.089 25062 1775 1 3 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.372 -0.920 25062 1776 1 3 . 1 1 48 48 ARG H H 48 8.655 8.655 8.362 0.293 25062 1777 1 3 . 1 1 49 49 LYS N N 49 119.557 119.557 118.393 1.164 25062 1778 1 3 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.210 -0.153 25062 1779 1 3 . 1 1 49 49 LYS C C 49 178.288 178.288 178.500 -0.212 25062 1780 1 3 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.684 0.285 25062 1781 1 3 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.147 0.506 25062 1782 1 3 . 1 1 49 49 LYS H H 49 8.058 8.058 7.783 0.275 25062 1783 1 3 . 1 1 50 50 GLN N N 50 115.215 115.215 116.660 -1.445 25062 1784 1 3 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.396 -0.019 25062 1785 1 3 . 1 1 50 50 GLN C C 50 176.439 176.439 175.863 0.576 25062 1786 1 3 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.318 0.655 25062 1787 1 3 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.363 0.445 25062 1788 1 3 . 1 1 50 50 GLN H H 50 7.938 7.938 7.575 0.363 25062 1789 1 3 . 1 1 51 51 GLY N N 51 109.413 109.413 108.858 0.555 25062 1790 1 3 . 1 1 51 51 GLY C C 51 174.570 174.570 174.140 0.430 25062 1791 1 3 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.428 1.167 25062 1792 1 3 . 1 1 51 51 GLY H H 51 8.070 8.070 7.626 0.444 25062 1793 1 3 . 1 1 52 52 ARG N N 52 119.414 119.414 119.091 0.323 25062 1794 1 3 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.907 -0.005 25062 1795 1 3 . 1 1 52 52 ARG C C 52 173.093 173.093 173.627 -0.534 25062 1796 1 3 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.669 0.308 25062 1797 1 3 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.167 0.243 25062 1798 1 3 . 1 1 52 52 ARG H H 52 7.950 7.950 8.196 -0.246 25062 1799 1 3 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.331 -0.257 25062 1800 1 3 . 1 1 53 53 PRO C C 53 174.179 174.179 175.713 -1.534 25062 1801 1 3 . 1 1 53 53 PRO CA C 53 61.977 61.977 61.951 0.026 25062 1802 1 3 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.263 -0.729 25062 1803 1 3 . 1 1 54 54 ILE N N 54 115.161 115.161 119.088 -3.927 25062 1804 1 3 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.900 0.058 25062 1805 1 3 . 1 1 54 54 ILE C C 54 172.097 172.097 173.742 -1.645 25062 1806 1 3 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.422 -0.649 25062 1807 1 3 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.473 0.262 25062 1808 1 3 . 1 1 54 54 ILE H H 54 7.718 7.718 8.335 -0.617 25062 1809 1 3 . 1 1 55 55 VAL N N 55 126.019 126.019 129.699 -3.680 25062 1810 1 3 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.556 0.324 25062 1811 1 3 . 1 1 55 55 VAL C C 55 173.844 173.844 174.842 -0.998 25062 1812 1 3 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.859 -0.566 25062 1813 1 3 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.904 1.364 25062 1814 1 3 . 1 1 55 55 VAL H H 55 8.352 8.352 8.802 -0.450 25062 1815 1 3 . 1 1 56 56 VAL N N 56 127.584 127.584 127.988 -0.404 25062 1816 1 3 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.396 0.045 25062 1817 1 3 . 1 1 56 56 VAL C C 56 173.968 173.968 175.451 -1.483 25062 1818 1 3 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.964 -0.421 25062 1819 1 3 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.294 2.086 25062 1820 1 3 . 1 1 56 56 VAL H H 56 9.291 9.291 8.468 0.823 25062 1821 1 3 . 1 1 57 57 PHE N N 57 125.432 125.432 128.577 -3.145 25062 1822 1 3 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.832 0.098 25062 1823 1 3 . 1 1 57 57 PHE C C 57 174.987 174.987 175.583 -0.596 25062 1824 1 3 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.601 0.607 25062 1825 1 3 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.385 1.501 25062 1826 1 3 . 1 1 57 57 PHE H H 57 8.585 8.585 8.650 -0.065 25062 1827 1 3 . 1 1 58 58 VAL N N 58 123.763 123.763 122.945 0.818 25062 1828 1 3 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.299 -0.097 25062 1829 1 3 . 1 1 58 58 VAL C C 58 174.791 174.791 174.979 -0.188 25062 1830 1 3 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.755 0.126 25062 1831 1 3 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.087 0.625 25062 1832 1 3 . 1 1 58 58 VAL H H 58 9.008 9.008 8.566 0.442 25062 1833 1 3 . 1 1 59 59 ARG N N 59 127.924 127.924 124.005 3.919 25062 1834 1 3 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.986 -0.404 25062 1835 1 3 . 1 1 59 59 ARG C C 59 177.755 177.755 177.080 0.675 25062 1836 1 3 . 1 1 59 59 ARG CA C 59 56.538 56.538 54.475 2.063 25062 1837 1 3 . 1 1 59 59 ARG CB C 59 30.513 30.513 33.047 -2.534 25062 1838 1 3 . 1 1 59 59 ARG H H 59 8.820 8.820 8.258 0.562 25062 1839 1 3 . 1 1 60 60 GLY N N 60 110.441 110.441 110.150 0.291 25062 1840 1 3 . 1 1 60 60 GLY C C 60 174.818 174.818 174.061 0.757 25062 1841 1 3 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.055 0.933 25062 1842 1 3 . 1 1 60 60 GLY H H 60 8.200 8.200 8.405 -0.205 25062 1843 1 3 . 1 1 61 61 GLY N N 61 109.411 109.411 113.248 -3.837 25062 1844 1 3 . 1 1 61 61 GLY C C 61 174.550 174.550 174.566 -0.016 25062 1845 1 3 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.881 -0.450 25062 1846 1 3 . 1 1 61 61 GLY H H 61 7.995 7.995 7.964 0.031 25062 1847 1 3 . 1 1 62 62 ASP N N 62 122.920 122.920 122.862 0.058 25062 1848 1 3 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.842 0.179 25062 1849 1 3 . 1 1 62 62 ASP C C 62 176.247 176.247 175.340 0.907 25062 1850 1 3 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.792 -1.266 25062 1851 1 3 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.648 -0.833 25062 1852 1 3 . 1 1 62 62 ASP H H 62 8.090 8.090 8.035 0.055 25062 1853 1 3 . 1 1 63 63 ASP N N 63 121.058 121.058 120.992 0.066 25062 1854 1 3 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.316 -0.050 25062 1855 1 3 . 1 1 63 63 ASP C C 63 178.418 178.418 177.544 0.874 25062 1856 1 3 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.362 -0.021 25062 1857 1 3 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.384 0.188 25062 1858 1 3 . 1 1 63 63 ASP H H 63 8.023 8.023 7.813 0.210 25062 1859 1 3 . 1 1 64 64 GLU N N 64 119.564 119.564 119.635 -0.071 25062 1860 1 3 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.063 -0.012 25062 1861 1 3 . 1 1 64 64 GLU C C 64 178.321 178.321 178.843 -0.522 25062 1862 1 3 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.690 -0.308 25062 1863 1 3 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.497 -0.453 25062 1864 1 3 . 1 1 64 64 GLU H H 64 8.760 8.760 8.582 0.178 25062 1865 1 3 . 1 1 65 65 ARG N N 65 119.839 119.839 119.000 0.839 25062 1866 1 3 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.081 0.115 25062 1867 1 3 . 1 1 65 65 ARG C C 65 178.305 178.305 178.561 -0.256 25062 1868 1 3 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.815 0.237 25062 1869 1 3 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.241 1.396 25062 1870 1 3 . 1 1 65 65 ARG H H 65 7.643 7.643 8.274 -0.631 25062 1871 1 3 . 1 1 66 66 ALA N N 66 118.984 118.984 122.193 -3.209 25062 1872 1 3 . 1 1 66 66 ALA HA H 66 3.866 3.866 3.924 -0.058 25062 1873 1 3 . 1 1 66 66 ALA C C 66 178.638 178.638 179.072 -0.434 25062 1874 1 3 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.540 -0.074 25062 1875 1 3 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.334 0.027 25062 1876 1 3 . 1 1 66 66 ALA H H 66 7.782 7.782 8.147 -0.365 25062 1877 1 3 . 1 1 67 67 LYS N N 67 117.711 117.711 116.965 0.746 25062 1878 1 3 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.044 -0.025 25062 1879 1 3 . 1 1 67 67 LYS C C 67 178.363 178.363 178.830 -0.467 25062 1880 1 3 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.208 0.365 25062 1881 1 3 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.236 -0.012 25062 1882 1 3 . 1 1 67 67 LYS H H 67 8.010 8.010 7.641 0.369 25062 1883 1 3 . 1 1 68 68 ASP N N 68 119.581 119.581 121.146 -1.565 25062 1884 1 3 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.591 -0.177 25062 1885 1 3 . 1 1 68 68 ASP C C 68 179.235 179.235 178.777 0.458 25062 1886 1 3 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.346 0.148 25062 1887 1 3 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.931 0.456 25062 1888 1 3 . 1 1 68 68 ASP H H 68 7.999 7.999 8.113 -0.114 25062 1889 1 3 . 1 1 69 69 ILE N N 69 119.307 119.307 120.149 -0.842 25062 1890 1 3 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.834 -0.241 25062 1891 1 3 . 1 1 69 69 ILE C C 69 176.927 176.927 177.765 -0.838 25062 1892 1 3 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.661 0.565 25062 1893 1 3 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.703 0.160 25062 1894 1 3 . 1 1 69 69 ILE H H 69 8.283 8.283 8.114 0.169 25062 1895 1 3 . 1 1 70 70 ALA N N 70 121.395 121.395 122.791 -1.396 25062 1896 1 3 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.696 0.036 25062 1897 1 3 . 1 1 70 70 ALA C C 70 178.770 178.770 178.948 -0.178 25062 1898 1 3 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.138 0.403 25062 1899 1 3 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.291 0.853 25062 1900 1 3 . 1 1 70 70 ALA H H 70 8.200 8.200 7.923 0.277 25062 1901 1 3 . 1 1 71 71 GLU N N 71 116.210 116.210 120.049 -3.839 25062 1902 1 3 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.207 -0.061 25062 1903 1 3 . 1 1 71 71 GLU C C 71 179.215 179.215 178.859 0.356 25062 1904 1 3 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.189 0.244 25062 1905 1 3 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.878 -0.294 25062 1906 1 3 . 1 1 71 71 GLU H H 71 8.402 8.402 7.852 0.550 25062 1907 1 3 . 1 1 72 72 TYR N N 72 121.372 121.372 120.468 0.904 25062 1908 1 3 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.157 0.045 25062 1909 1 3 . 1 1 72 72 TYR C C 72 176.699 176.699 177.085 -0.386 25062 1910 1 3 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.082 0.224 25062 1911 1 3 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.303 -0.064 25062 1912 1 3 . 1 1 72 72 TYR H H 72 8.031 8.031 8.009 0.022 25062 1913 1 3 . 1 1 73 73 ALA N N 73 119.994 119.994 120.526 -0.532 25062 1914 1 3 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.698 -0.087 25062 1915 1 3 . 1 1 73 73 ALA C C 73 178.786 178.786 179.449 -0.663 25062 1916 1 3 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.142 0.030 25062 1917 1 3 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.950 0.551 25062 1918 1 3 . 1 1 73 73 ALA H H 73 8.588 8.588 8.221 0.367 25062 1919 1 3 . 1 1 74 74 GLN N N 74 116.775 116.775 118.421 -1.646 25062 1920 1 3 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.237 0.070 25062 1921 1 3 . 1 1 74 74 GLN C C 74 180.672 180.672 178.094 2.578 25062 1922 1 3 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.375 0.801 25062 1923 1 3 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.913 0.284 25062 1924 1 3 . 1 1 74 74 GLN H H 74 8.382 8.382 8.073 0.309 25062 1925 1 3 . 1 1 75 75 LYS N N 75 122.969 122.969 118.854 4.115 25062 1926 1 3 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.056 -0.000 25062 1927 1 3 . 1 1 75 75 LYS C C 75 178.547 178.547 178.593 -0.046 25062 1928 1 3 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.748 0.479 25062 1929 1 3 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.311 -0.548 25062 1930 1 3 . 1 1 75 75 LYS H H 75 8.248 8.248 7.691 0.557 25062 1931 1 3 . 1 1 76 76 GLU N N 76 117.058 117.058 115.533 1.525 25062 1932 1 3 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.150 -0.055 25062 1933 1 3 . 1 1 76 76 GLU C C 76 176.070 176.070 176.781 -0.711 25062 1934 1 3 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.474 -0.616 25062 1935 1 3 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.836 -0.038 25062 1936 1 3 . 1 1 76 76 GLU H H 76 7.522 7.522 7.609 -0.087 25062 1937 1 3 . 1 1 77 77 GLY N N 77 106.537 106.537 107.877 -1.340 25062 1938 1 3 . 1 1 77 77 GLY C C 77 174.570 174.570 173.985 0.585 25062 1939 1 3 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.488 -0.009 25062 1940 1 3 . 1 1 77 77 GLY H H 77 7.797 7.797 7.654 0.143 25062 1941 1 3 . 1 1 78 78 LEU N N 78 121.257 121.257 119.120 2.137 25062 1942 1 3 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.505 -0.099 25062 1943 1 3 . 1 1 78 78 LEU C C 78 176.139 176.139 176.518 -0.379 25062 1944 1 3 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.468 0.836 25062 1945 1 3 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.580 -1.468 25062 1946 1 3 . 1 1 78 78 LEU H H 78 8.008 8.008 7.759 0.249 25062 1947 1 3 . 1 1 79 79 ARG N N 79 121.135 121.135 121.754 -0.619 25062 1948 1 3 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.371 0.033 25062 1949 1 3 . 1 1 79 79 ARG C C 79 174.598 174.598 175.340 -0.742 25062 1950 1 3 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.289 0.595 25062 1951 1 3 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.173 1.194 25062 1952 1 3 . 1 1 79 79 ARG H H 79 8.062 8.062 8.402 -0.340 25062 1953 1 3 . 1 1 80 80 VAL N N 80 123.517 123.517 125.259 -1.742 25062 1954 1 3 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.846 -0.081 25062 1955 1 3 . 1 1 80 80 VAL C C 80 175.373 175.373 174.960 0.413 25062 1956 1 3 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.375 0.262 25062 1957 1 3 . 1 1 80 80 VAL CB C 80 34.003 34.003 33.114 0.889 25062 1958 1 3 . 1 1 80 80 VAL H H 80 8.377 8.377 8.525 -0.148 25062 1959 1 3 . 1 1 81 81 ILE N N 81 129.083 129.083 129.272 -0.189 25062 1960 1 3 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.926 -0.043 25062 1961 1 3 . 1 1 81 81 ILE C C 81 173.899 173.899 175.098 -1.199 25062 1962 1 3 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.363 0.363 25062 1963 1 3 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.769 1.313 25062 1964 1 3 . 1 1 81 81 ILE H H 81 8.812 8.812 8.526 0.286 25062 1965 1 3 . 1 1 82 82 VAL N N 82 126.531 126.531 128.730 -2.199 25062 1966 1 3 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.721 0.266 25062 1967 1 3 . 1 1 82 82 VAL C C 82 174.164 174.164 175.172 -1.008 25062 1968 1 3 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.396 -1.072 25062 1969 1 3 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.718 1.699 25062 1970 1 3 . 1 1 82 82 VAL H H 82 9.085 9.085 8.442 0.643 25062 1971 1 3 . 1 1 83 83 ILE N N 83 127.143 127.143 129.225 -2.082 25062 1972 1 3 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.790 0.114 25062 1973 1 3 . 1 1 83 83 ILE C C 83 174.044 174.044 175.610 -1.566 25062 1974 1 3 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.228 -0.212 25062 1975 1 3 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.023 0.793 25062 1976 1 3 . 1 1 83 83 ILE H H 83 9.391 9.391 8.605 0.786 25062 1977 1 3 . 1 1 84 84 ILE N N 84 126.750 126.750 129.297 -2.547 25062 1978 1 3 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.490 -0.044 25062 1979 1 3 . 1 1 84 84 ILE C C 84 174.788 174.788 175.280 -0.492 25062 1980 1 3 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.941 0.111 25062 1981 1 3 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.236 1.796 25062 1982 1 3 . 1 1 84 84 ILE H H 84 8.714 8.714 8.935 -0.221 25062 1983 1 3 . 1 1 85 85 VAL N N 85 127.160 127.160 129.954 -2.794 25062 1984 1 3 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.698 0.281 25062 1985 1 3 . 1 1 85 85 VAL C C 85 176.539 176.539 175.173 1.366 25062 1986 1 3 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.840 -1.778 25062 1987 1 3 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.552 0.322 25062 1988 1 3 . 1 1 85 85 VAL H H 85 8.464 8.464 8.810 -0.346 25062 1989 1 3 . 1 1 86 86 SER N N 86 121.723 121.723 122.294 -0.571 25062 1990 1 3 . 1 1 86 86 SER HA H 86 4.490 4.490 4.928 -0.438 25062 1991 1 3 . 1 1 86 86 SER C C 86 172.447 172.447 174.123 -1.676 25062 1992 1 3 . 1 1 86 86 SER CA C 86 58.131 58.131 57.203 0.928 25062 1993 1 3 . 1 1 86 86 SER CB C 86 64.121 64.121 66.974 -2.853 25062 1994 1 3 . 1 1 86 86 SER H H 86 8.725 8.725 8.928 -0.203 25062 1995 1 3 . 1 1 87 87 GLN N N 87 121.657 121.657 122.454 -0.797 25062 1996 1 3 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.197 0.372 25062 1997 1 3 . 1 1 87 87 GLN C C 87 175.732 175.732 175.486 0.246 25062 1998 1 3 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.643 -1.217 25062 1999 1 3 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.808 0.311 25062 2000 1 3 . 1 1 87 87 GLN H H 87 8.516 8.516 8.890 -0.374 25062 2001 1 3 . 1 1 88 88 ASP N N 88 121.146 121.146 121.855 -0.709 25062 2002 1 3 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.618 0.082 25062 2003 1 3 . 1 1 88 88 ASP C C 88 175.752 175.752 176.696 -0.944 25062 2004 1 3 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.764 -1.685 25062 2005 1 3 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.462 0.741 25062 2006 1 3 . 1 1 88 88 ASP H H 88 8.459 8.459 8.369 0.090 25062 2007 1 3 . 1 1 89 89 GLU N N 89 125.736 125.736 124.413 1.323 25062 2008 1 3 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.948 -0.014 25062 2009 1 3 . 1 1 89 89 GLU C C 89 178.820 178.820 178.235 0.585 25062 2010 1 3 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.634 -0.090 25062 2011 1 3 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.700 -0.072 25062 2012 1 3 . 1 1 89 89 GLU H H 89 8.840 8.840 8.638 0.202 25062 2013 1 3 . 1 1 90 90 GLU N N 90 119.813 119.813 119.469 0.344 25062 2014 1 3 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.092 0.144 25062 2015 1 3 . 1 1 90 90 GLU C C 90 178.385 178.385 178.486 -0.101 25062 2016 1 3 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.351 -0.544 25062 2017 1 3 . 1 1 90 90 GLU CB C 90 29.177 29.177 28.570 0.607 25062 2018 1 3 . 1 1 90 90 GLU H H 90 8.300 8.300 8.810 -0.510 25062 2019 1 3 . 1 1 91 91 ALA N N 91 123.211 123.211 121.574 1.637 25062 2020 1 3 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.188 -0.057 25062 2021 1 3 . 1 1 91 91 ALA C C 91 181.895 181.895 179.784 2.111 25062 2022 1 3 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.681 0.019 25062 2023 1 3 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.230 -0.348 25062 2024 1 3 . 1 1 91 91 ALA H H 91 7.670 7.670 7.596 0.074 25062 2025 1 3 . 1 1 92 92 LEU N N 92 118.903 118.903 119.254 -0.351 25062 2026 1 3 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.948 0.057 25062 2027 1 3 . 1 1 92 92 LEU C C 92 177.951 177.951 179.192 -1.241 25062 2028 1 3 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.883 0.067 25062 2029 1 3 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.674 0.508 25062 2030 1 3 . 1 1 92 92 LEU H H 92 8.190 8.190 7.482 0.708 25062 2031 1 3 . 1 1 93 93 ARG N N 93 118.916 118.916 116.885 2.031 25062 2032 1 3 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.129 -0.031 25062 2033 1 3 . 1 1 93 93 ARG C C 93 178.775 178.775 179.075 -0.300 25062 2034 1 3 . 1 1 93 93 ARG CA C 93 59.342 59.342 57.797 1.546 25062 2035 1 3 . 1 1 93 93 ARG CB C 93 30.145 30.145 29.206 0.939 25062 2036 1 3 . 1 1 93 93 ARG H H 93 7.868 7.868 8.354 -0.486 25062 2037 1 3 . 1 1 94 94 LYS N N 94 118.989 118.989 120.532 -1.543 25062 2038 1 3 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.202 -0.145 25062 2039 1 3 . 1 1 94 94 LYS C C 94 179.270 179.270 178.878 0.392 25062 2040 1 3 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.184 0.051 25062 2041 1 3 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.140 0.294 25062 2042 1 3 . 1 1 94 94 LYS H H 94 8.236 8.236 7.675 0.561 25062 2043 1 3 . 1 1 95 95 GLY N N 95 107.084 107.084 106.303 0.781 25062 2044 1 3 . 1 1 95 95 GLY C C 95 175.285 175.285 176.086 -0.801 25062 2045 1 3 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.941 0.104 25062 2046 1 3 . 1 1 95 95 GLY H H 95 8.296 8.296 7.951 0.345 25062 2047 1 3 . 1 1 96 96 TYR N N 96 121.591 121.591 123.285 -1.694 25062 2048 1 3 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.089 -0.043 25062 2049 1 3 . 1 1 96 96 TYR C C 96 176.428 176.428 177.415 -0.987 25062 2050 1 3 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.649 -0.205 25062 2051 1 3 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.579 0.011 25062 2052 1 3 . 1 1 96 96 TYR H H 96 8.372 8.372 8.203 0.169 25062 2053 1 3 . 1 1 97 97 GLU N N 97 117.883 117.883 117.216 0.667 25062 2054 1 3 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.876 -0.045 25062 2055 1 3 . 1 1 97 97 GLU C C 97 178.775 178.775 179.271 -0.496 25062 2056 1 3 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.360 -0.111 25062 2057 1 3 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.022 0.520 25062 2058 1 3 . 1 1 97 97 GLU H H 97 8.205 8.205 7.817 0.388 25062 2059 1 3 . 1 1 98 98 ASP N N 98 117.644 117.644 120.470 -2.826 25062 2060 1 3 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.409 -0.064 25062 2061 1 3 . 1 1 98 98 ASP C C 98 177.978 177.978 178.324 -0.346 25062 2062 1 3 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.352 -0.239 25062 2063 1 3 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.734 1.257 25062 2064 1 3 . 1 1 98 98 ASP H H 98 8.139 8.139 7.956 0.183 25062 2065 1 3 . 1 1 99 99 LYS N N 99 116.691 116.691 117.795 -1.104 25062 2066 1 3 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.341 -0.317 25062 2067 1 3 . 1 1 99 99 LYS C C 99 178.061 178.061 178.438 -0.377 25062 2068 1 3 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.116 -0.110 25062 2069 1 3 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.648 -0.272 25062 2070 1 3 . 1 1 99 99 LYS H H 99 7.886 7.886 7.746 0.140 25062 2071 1 3 . 1 1 100 100 LYS N N 100 120.645 120.645 120.609 0.036 25062 2072 1 3 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.263 -0.189 25062 2073 1 3 . 1 1 100 100 LYS C C 100 180.486 180.486 179.211 1.275 25062 2074 1 3 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.819 -0.636 25062 2075 1 3 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.200 -0.834 25062 2076 1 3 . 1 1 100 100 LYS H H 100 8.395 8.395 7.944 0.451 25062 2077 1 3 . 1 1 101 101 LYS N N 101 119.297 119.297 118.113 1.184 25062 2078 1 3 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.113 -0.031 25062 2079 1 3 . 1 1 101 101 LYS C C 101 177.669 177.669 177.539 0.130 25062 2080 1 3 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.487 -0.021 25062 2081 1 3 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.006 0.239 25062 2082 1 3 . 1 1 101 101 LYS H H 101 7.713 7.713 7.987 -0.274 25062 2083 1 3 . 1 1 102 102 LYS N N 102 116.847 116.847 117.510 -0.663 25062 2084 1 3 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.183 -0.090 25062 2085 1 3 . 1 1 102 102 LYS C C 102 176.357 176.357 176.223 0.134 25062 2086 1 3 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.747 0.042 25062 2087 1 3 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.422 -0.419 25062 2088 1 3 . 1 1 102 102 LYS H H 102 7.124 7.124 7.092 0.032 25062 2089 1 3 . 1 1 103 103 GLY N N 103 105.781 105.781 106.412 -0.631 25062 2090 1 3 . 1 1 103 103 GLY C C 103 174.378 174.378 174.288 0.090 25062 2091 1 3 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.820 0.234 25062 2092 1 3 . 1 1 103 103 GLY H H 103 7.771 7.771 7.358 0.413 25062 2093 1 3 . 1 1 104 104 TYR N N 104 119.257 119.257 118.151 1.106 25062 2094 1 3 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.638 0.300 25062 2095 1 3 . 1 1 104 104 TYR C C 104 175.223 175.223 175.180 0.043 25062 2096 1 3 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.339 -0.888 25062 2097 1 3 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.836 -2.091 25062 2098 1 3 . 1 1 104 104 TYR H H 104 6.914 6.914 7.355 -0.441 25062 2099 1 3 . 1 1 105 105 ASP N N 105 122.574 122.574 124.645 -2.071 25062 2100 1 3 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.707 0.074 25062 2101 1 3 . 1 1 105 105 ASP C C 105 174.818 174.818 175.204 -0.386 25062 2102 1 3 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.996 -0.781 25062 2103 1 3 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.838 0.963 25062 2104 1 3 . 1 1 105 105 ASP H H 105 8.223 8.223 8.660 -0.437 25062 2105 1 3 . 1 1 106 106 VAL N N 106 121.990 121.990 122.354 -0.364 25062 2106 1 3 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.789 0.468 25062 2107 1 3 . 1 1 106 106 VAL C C 106 173.835 173.835 174.790 -0.955 25062 2108 1 3 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.080 -1.038 25062 2109 1 3 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.570 0.809 25062 2110 1 3 . 1 1 106 106 VAL H H 106 7.876 7.876 7.896 -0.020 25062 2111 1 3 . 1 1 107 107 TYR N N 107 125.444 125.444 123.657 1.787 25062 2112 1 3 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.953 0.054 25062 2113 1 3 . 1 1 107 107 TYR C C 107 174.765 174.765 174.482 0.283 25062 2114 1 3 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.293 -0.228 25062 2115 1 3 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.687 -0.798 25062 2116 1 3 . 1 1 107 107 TYR H H 107 9.400 9.400 9.112 0.288 25062 2117 1 3 . 1 1 108 108 THR N N 108 111.100 111.100 114.117 -3.017 25062 2118 1 3 . 1 1 108 108 THR HA H 108 5.212 5.212 5.076 0.136 25062 2119 1 3 . 1 1 108 108 THR C C 108 174.350 174.350 173.903 0.447 25062 2120 1 3 . 1 1 108 108 THR CA C 108 59.514 59.514 60.192 -0.678 25062 2121 1 3 . 1 1 108 108 THR CB C 108 70.911 70.911 70.324 0.587 25062 2122 1 3 . 1 1 108 108 THR H H 108 8.801 8.801 8.476 0.325 25062 2123 1 3 . 1 1 109 109 SER N N 109 114.650 114.650 120.803 -6.153 25062 2124 1 3 . 1 1 109 109 SER HA H 109 4.901 4.901 4.881 0.020 25062 2125 1 3 . 1 1 109 109 SER C C 109 172.399 172.399 174.699 -2.300 25062 2126 1 3 . 1 1 109 109 SER CA C 109 57.974 57.974 56.273 1.701 25062 2127 1 3 . 1 1 109 109 SER CB C 109 67.764 67.764 66.748 1.016 25062 2128 1 3 . 1 1 109 109 SER H H 109 8.565 8.565 8.767 -0.202 25062 2129 1 3 . 1 1 110 110 ARG N N 110 119.807 119.807 123.643 -3.836 25062 2130 1 3 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.627 0.382 25062 2131 1 3 . 1 1 110 110 ARG C C 110 175.995 175.995 175.865 0.130 25062 2132 1 3 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.672 -1.663 25062 2133 1 3 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.613 1.204 25062 2134 1 3 . 1 1 110 110 ARG H H 110 8.948 8.948 8.885 0.063 25062 2135 1 3 . 1 1 111 111 ASN N N 111 110.690 110.690 113.322 -2.632 25062 2136 1 3 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.779 -0.146 25062 2137 1 3 . 1 1 111 111 ASN C C 111 174.460 174.460 174.994 -0.534 25062 2138 1 3 . 1 1 111 111 ASN CA C 111 51.370 51.370 51.962 -0.592 25062 2139 1 3 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.592 0.525 25062 2140 1 3 . 1 1 111 111 ASN H H 111 7.426 7.426 7.595 -0.169 25062 2141 1 3 . 1 1 112 112 GLU N N 112 119.451 119.451 120.043 -0.592 25062 2142 1 3 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.014 -0.206 25062 2143 1 3 . 1 1 112 112 GLU C C 112 176.445 176.445 177.617 -1.172 25062 2144 1 3 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.269 -0.076 25062 2145 1 3 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.435 1.171 25062 2146 1 3 . 1 1 112 112 GLU H H 112 9.529 9.529 8.901 0.628 25062 2147 1 3 . 1 1 113 113 ASP N N 113 120.739 120.739 117.973 2.766 25062 2148 1 3 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.340 0.029 25062 2149 1 3 . 1 1 113 113 ASP C C 113 179.043 179.043 178.640 0.403 25062 2150 1 3 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.719 0.386 25062 2151 1 3 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.232 0.715 25062 2152 1 3 . 1 1 113 113 ASP H H 113 8.256 8.256 8.602 -0.346 25062 2153 1 3 . 1 1 114 114 GLU N N 114 119.817 119.817 119.293 0.524 25062 2154 1 3 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.108 -0.058 25062 2155 1 3 . 1 1 114 114 GLU C C 114 178.770 178.770 178.109 0.661 25062 2156 1 3 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.873 0.367 25062 2157 1 3 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.398 1.258 25062 2158 1 3 . 1 1 114 114 GLU H H 114 8.577 8.577 7.828 0.749 25062 2159 1 3 . 1 1 115 115 ALA N N 115 121.470 121.470 121.656 -0.186 25062 2160 1 3 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.069 -0.014 25062 2161 1 3 . 1 1 115 115 ALA C C 115 178.962 178.962 179.459 -0.497 25062 2162 1 3 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.008 0.205 25062 2163 1 3 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.343 1.514 25062 2164 1 3 . 1 1 115 115 ALA H H 115 8.358 8.358 7.681 0.677 25062 2165 1 3 . 1 1 116 116 LYS N N 116 117.285 117.285 117.461 -0.176 25062 2166 1 3 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.926 -0.268 25062 2167 1 3 . 1 1 116 116 LYS C C 116 178.583 178.583 178.739 -0.156 25062 2168 1 3 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.598 1.319 25062 2169 1 3 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.258 0.553 25062 2170 1 3 . 1 1 116 116 LYS H H 116 8.350 8.350 8.175 0.175 25062 2171 1 3 . 1 1 117 117 LYS N N 117 118.433 118.433 118.844 -0.411 25062 2172 1 3 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.007 -0.021 25062 2173 1 3 . 1 1 117 117 LYS C C 117 179.380 179.380 178.679 0.701 25062 2174 1 3 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.471 0.133 25062 2175 1 3 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.347 0.035 25062 2176 1 3 . 1 1 117 117 LYS H H 117 7.345 7.345 7.481 -0.137 25062 2177 1 3 . 1 1 118 118 LYS N N 118 118.166 118.166 118.685 -0.519 25062 2178 1 3 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.952 -0.013 25062 2179 1 3 . 1 1 118 118 LYS C C 118 178.088 178.088 178.617 -0.529 25062 2180 1 3 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.718 -0.162 25062 2181 1 3 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.495 -0.355 25062 2182 1 3 . 1 1 118 118 LYS H H 118 8.130 8.130 7.412 0.718 25062 2183 1 3 . 1 1 119 119 LEU N N 119 120.654 120.654 120.390 0.264 25062 2184 1 3 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.971 -0.187 25062 2185 1 3 . 1 1 119 119 LEU C C 119 177.567 177.567 178.028 -0.461 25062 2186 1 3 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.972 -0.058 25062 2187 1 3 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.774 0.400 25062 2188 1 3 . 1 1 119 119 LEU H H 119 8.592 8.592 8.144 0.448 25062 2189 1 3 . 1 1 120 120 LYS N N 120 118.314 118.314 118.268 0.046 25062 2190 1 3 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.717 -0.172 25062 2191 1 3 . 1 1 120 120 LYS C C 120 178.624 178.624 178.812 -0.188 25062 2192 1 3 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.591 0.699 25062 2193 1 3 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.876 -0.112 25062 2194 1 3 . 1 1 120 120 LYS H H 120 7.753 7.753 7.474 0.279 25062 2195 1 3 . 1 1 121 121 GLU N N 121 118.446 118.446 119.958 -1.512 25062 2196 1 3 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.358 -0.352 25062 2197 1 3 . 1 1 121 121 GLU C C 121 178.744 178.744 178.859 -0.115 25062 2198 1 3 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.191 0.349 25062 2199 1 3 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.479 -0.116 25062 2200 1 3 . 1 1 121 121 GLU H H 121 7.777 7.777 7.989 -0.212 25062 2201 1 3 . 1 1 122 122 ALA N N 122 121.333 121.333 121.635 -0.302 25062 2202 1 3 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.179 -0.223 25062 2203 1 3 . 1 1 122 122 ALA C C 122 179.973 179.973 179.633 0.340 25062 2204 1 3 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.697 0.263 25062 2205 1 3 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.560 -0.132 25062 2206 1 3 . 1 1 122 122 ALA H H 122 8.229 8.229 7.423 0.806 25062 2207 1 3 . 1 1 123 123 LEU N N 123 118.790 118.790 119.323 -0.533 25062 2208 1 3 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.991 -0.211 25062 2209 1 3 . 1 1 123 123 LEU C C 123 179.703 179.703 179.083 0.620 25062 2210 1 3 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.198 0.691 25062 2211 1 3 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.566 -0.715 25062 2212 1 3 . 1 1 123 123 LEU H H 123 8.177 8.177 7.832 0.345 25062 2213 1 3 . 1 1 124 124 GLU N N 124 120.881 120.881 119.122 1.759 25062 2214 1 3 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.240 -0.096 25062 2215 1 3 . 1 1 124 124 GLU C C 124 179.732 179.732 179.895 -0.163 25062 2216 1 3 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.374 0.065 25062 2217 1 3 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.439 0.081 25062 2218 1 3 . 1 1 124 124 GLU H H 124 8.393 8.393 8.145 0.248 25062 2219 1 3 . 1 1 125 125 LYS N N 125 119.526 119.526 119.325 0.201 25062 2220 1 3 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.179 0.080 25062 2221 1 3 . 1 1 125 125 LYS C C 125 177.862 177.862 178.180 -0.318 25062 2222 1 3 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.704 -0.759 25062 2223 1 3 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.490 -0.133 25062 2224 1 3 . 1 1 125 125 LYS H H 125 8.290 8.290 7.639 0.651 25062 2225 1 3 . 1 1 126 126 SER N N 126 114.103 114.103 111.567 2.536 25062 2226 1 3 . 1 1 126 126 SER HA H 126 4.385 4.385 4.533 -0.148 25062 2227 1 3 . 1 1 126 126 SER C C 126 174.460 174.460 175.200 -0.740 25062 2228 1 3 . 1 1 126 126 SER CA C 126 59.611 59.611 58.295 1.316 25062 2229 1 3 . 1 1 126 126 SER CB C 126 63.479 63.479 64.100 -0.621 25062 2230 1 3 . 1 1 126 126 SER H H 126 7.702 7.702 7.617 0.085 25062 2231 1 3 . 1 1 127 127 GLY N N 127 108.584 108.584 109.850 -1.266 25062 2232 1 3 . 1 1 127 127 GLY C C 127 174.103 174.103 175.007 -0.904 25062 2233 1 3 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.111 0.327 25062 2234 1 3 . 1 1 127 127 GLY H H 127 7.933 7.933 7.611 0.322 25062 2235 1 3 . 1 1 128 128 SER N N 128 115.990 115.990 120.650 -4.660 25062 2236 1 3 . 1 1 128 128 SER HA H 128 4.590 4.590 4.529 0.061 25062 2237 1 3 . 1 1 128 128 SER C C 128 174.412 174.412 173.696 0.716 25062 2238 1 3 . 1 1 128 128 SER CA C 128 57.986 57.986 60.022 -2.036 25062 2239 1 3 . 1 1 128 128 SER CB C 128 63.336 63.336 62.842 0.494 25062 2240 1 3 . 1 1 128 128 SER H H 128 8.091 8.091 7.937 0.154 25062 2241 1 3 . 1 1 129 129 LEU N N 129 125.492 125.492 128.122 -2.630 25062 2242 1 3 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.811 -0.370 25062 2243 1 3 . 1 1 129 129 LEU C C 129 177.084 177.084 176.328 0.756 25062 2244 1 3 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.460 0.416 25062 2245 1 3 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.953 -0.644 25062 2246 1 3 . 1 1 129 129 LEU H H 129 8.262 8.262 8.452 -0.190 25062 2247 1 3 . 1 1 130 130 GLU N N 130 121.006 121.006 125.253 -4.247 25062 2248 1 3 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.173 -0.198 25062 2249 1 3 . 1 1 130 130 GLU C C 130 176.435 176.435 175.698 0.737 25062 2250 1 3 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.097 0.715 25062 2251 1 3 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.467 -0.188 25062 2252 1 3 . 1 1 130 130 GLU H H 130 8.398 8.398 7.566 0.832 25062 2253 1 3 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.717 -0.126 25062 2254 1 3 . 1 1 131 131 HIS C C 131 174.179 174.179 174.663 -0.484 25062 2255 1 3 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.143 0.006 25062 2256 1 3 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.987 0.844 25062 2257 1 3 . 1 1 132 132 HIS N N 132 125.794 125.794 128.205 -2.411 25062 2258 1 3 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.852 -0.436 25062 2259 1 3 . 1 1 132 132 HIS C C 132 179.523 179.523 174.032 5.491 25062 2260 1 3 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.371 2.145 25062 2261 1 3 . 1 1 132 132 HIS CB C 132 31.008 31.008 28.956 2.052 25062 2262 1 3 . 1 1 132 132 HIS H H 132 7.935 7.935 8.658 -0.723 25062 2263 1 4 . 1 1 2 2 GLY N N 2 109.342 109.342 111.487 -2.145 25062 2264 1 4 . 1 1 2 2 GLY C C 2 172.736 172.736 171.722 1.014 25062 2265 1 4 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.947 0.709 25062 2266 1 4 . 1 1 2 2 GLY H H 2 8.632 8.632 8.370 0.262 25062 2267 1 4 . 1 1 3 3 VAL N N 3 123.457 123.457 120.650 2.807 25062 2268 1 4 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.434 0.547 25062 2269 1 4 . 1 1 3 3 VAL C C 3 173.780 173.780 174.277 -0.497 25062 2270 1 4 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.746 -1.396 25062 2271 1 4 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.311 -0.198 25062 2272 1 4 . 1 1 3 3 VAL H H 3 7.516 7.516 7.898 -0.382 25062 2273 1 4 . 1 1 4 4 VAL N N 4 125.375 125.375 126.828 -1.453 25062 2274 1 4 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.705 -0.174 25062 2275 1 4 . 1 1 4 4 VAL C C 4 173.185 173.185 175.044 -1.859 25062 2276 1 4 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.253 -0.752 25062 2277 1 4 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.134 0.661 25062 2278 1 4 . 1 1 4 4 VAL H H 4 8.810 8.810 8.622 0.188 25062 2279 1 4 . 1 1 5 5 ILE N N 5 127.180 127.180 128.643 -1.463 25062 2280 1 4 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.598 0.271 25062 2281 1 4 . 1 1 5 5 ILE C C 5 174.303 174.303 175.062 -0.759 25062 2282 1 4 . 1 1 5 5 ILE CA C 5 59.410 59.410 59.922 -0.512 25062 2283 1 4 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.430 0.213 25062 2284 1 4 . 1 1 5 5 ILE H H 5 8.800 8.800 9.008 -0.208 25062 2285 1 4 . 1 1 6 6 LEU N N 6 129.025 129.025 129.084 -0.059 25062 2286 1 4 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.920 0.093 25062 2287 1 4 . 1 1 6 6 LEU C C 6 174.847 174.847 176.318 -1.471 25062 2288 1 4 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.767 -0.299 25062 2289 1 4 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.007 2.286 25062 2290 1 4 . 1 1 6 6 LEU H H 6 9.424 9.424 9.049 0.375 25062 2291 1 4 . 1 1 7 7 VAL N N 7 123.364 123.364 126.229 -2.865 25062 2292 1 4 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.407 0.250 25062 2293 1 4 . 1 1 7 7 VAL C C 7 174.210 174.210 175.186 -0.976 25062 2294 1 4 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.631 -0.804 25062 2295 1 4 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.151 0.102 25062 2296 1 4 . 1 1 7 7 VAL H H 7 8.653 8.653 8.669 -0.016 25062 2297 1 4 . 1 1 8 8 LEU N N 8 130.560 130.560 131.258 -0.698 25062 2298 1 4 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.821 0.475 25062 2299 1 4 . 1 1 8 8 LEU C C 8 175.744 175.744 176.523 -0.779 25062 2300 1 4 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.015 -0.129 25062 2301 1 4 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.597 0.899 25062 2302 1 4 . 1 1 8 8 LEU H H 8 9.069 9.069 8.517 0.552 25062 2303 1 4 . 1 1 9 9 THR N N 9 112.810 112.810 115.025 -2.215 25062 2304 1 4 . 1 1 9 9 THR HA H 9 4.959 4.959 4.773 0.186 25062 2305 1 4 . 1 1 9 9 THR C C 9 174.213 174.213 176.146 -1.933 25062 2306 1 4 . 1 1 9 9 THR CA C 9 59.948 59.948 59.769 0.179 25062 2307 1 4 . 1 1 9 9 THR CB C 9 70.756 70.756 70.722 0.033 25062 2308 1 4 . 1 1 9 9 THR H H 9 8.028 8.028 8.769 -0.741 25062 2309 1 4 . 1 1 10 10 GLY N N 10 107.740 107.740 110.624 -2.884 25062 2310 1 4 . 1 1 10 10 GLY C C 10 173.064 173.064 173.579 -0.515 25062 2311 1 4 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.163 -0.733 25062 2312 1 4 . 1 1 10 10 GLY H H 10 7.827 7.827 8.960 -1.133 25062 2313 1 4 . 1 1 11 11 ASP N N 11 119.119 119.119 118.220 0.899 25062 2314 1 4 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.667 0.186 25062 2315 1 4 . 1 1 11 11 ASP C C 11 176.118 176.118 175.148 0.970 25062 2316 1 4 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.600 0.372 25062 2317 1 4 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.639 0.603 25062 2318 1 4 . 1 1 11 11 ASP H H 11 7.642 7.642 7.372 0.270 25062 2319 1 4 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.018 0.082 25062 2320 1 4 . 1 1 12 12 GLU C C 12 178.508 178.508 178.019 0.489 25062 2321 1 4 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.996 -0.532 25062 2322 1 4 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.963 -0.630 25062 2323 1 4 . 1 1 13 13 ARG N N 13 121.589 121.589 119.325 2.264 25062 2324 1 4 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.061 0.076 25062 2325 1 4 . 1 1 13 13 ARG C C 13 179.625 179.625 178.566 1.059 25062 2326 1 4 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.761 0.657 25062 2327 1 4 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.748 -0.393 25062 2328 1 4 . 1 1 13 13 ARG H H 13 8.593 8.593 7.761 0.832 25062 2329 1 4 . 1 1 14 14 ILE N N 14 119.911 119.911 119.124 0.787 25062 2330 1 4 . 1 1 14 14 ILE HA H 14 3.650 3.650 4.104 -0.454 25062 2331 1 4 . 1 1 14 14 ILE C C 14 177.727 177.727 177.796 -0.069 25062 2332 1 4 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.491 0.667 25062 2333 1 4 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.636 -0.297 25062 2334 1 4 . 1 1 14 14 ILE H H 14 7.823 7.823 7.567 0.256 25062 2335 1 4 . 1 1 15 15 ALA N N 15 121.015 121.015 121.393 -0.378 25062 2336 1 4 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.902 -0.183 25062 2337 1 4 . 1 1 15 15 ALA C C 15 178.994 178.994 179.135 -0.141 25062 2338 1 4 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.111 0.778 25062 2339 1 4 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.833 0.018 25062 2340 1 4 . 1 1 15 15 ALA H H 15 7.610 7.610 7.539 0.071 25062 2341 1 4 . 1 1 16 16 GLU N N 16 117.655 117.655 118.692 -1.037 25062 2342 1 4 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.742 0.392 25062 2343 1 4 . 1 1 16 16 GLU C C 16 178.517 178.517 178.556 -0.039 25062 2344 1 4 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.185 -0.907 25062 2345 1 4 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.463 -0.241 25062 2346 1 4 . 1 1 16 16 GLU H H 16 7.808 7.808 7.709 0.099 25062 2347 1 4 . 1 1 17 17 GLU N N 17 119.648 119.648 118.966 0.682 25062 2348 1 4 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.021 0.033 25062 2349 1 4 . 1 1 17 17 GLU C C 17 180.213 180.213 179.258 0.955 25062 2350 1 4 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.948 0.286 25062 2351 1 4 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.636 -0.484 25062 2352 1 4 . 1 1 17 17 GLU H H 17 8.002 8.002 7.483 0.519 25062 2353 1 4 . 1 1 18 18 LEU N N 18 119.118 119.118 118.570 0.548 25062 2354 1 4 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.185 -0.085 25062 2355 1 4 . 1 1 18 18 LEU C C 18 178.233 178.233 178.480 -0.247 25062 2356 1 4 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.136 0.670 25062 2357 1 4 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.826 -0.955 25062 2358 1 4 . 1 1 18 18 LEU H H 18 8.554 8.554 7.920 0.634 25062 2359 1 4 . 1 1 19 19 ARG N N 19 122.158 122.158 120.209 1.949 25062 2360 1 4 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.071 -0.256 25062 2361 1 4 . 1 1 19 19 ARG C C 19 178.686 178.686 178.289 0.397 25062 2362 1 4 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.732 1.184 25062 2363 1 4 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.844 -0.505 25062 2364 1 4 . 1 1 19 19 ARG H H 19 8.274 8.274 7.492 0.782 25062 2365 1 4 . 1 1 20 20 LYS N N 20 118.130 118.130 117.175 0.955 25062 2366 1 4 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.331 -0.396 25062 2367 1 4 . 1 1 20 20 LYS C C 20 179.078 179.078 178.804 0.274 25062 2368 1 4 . 1 1 20 20 LYS CA C 20 59.753 59.753 58.981 0.772 25062 2369 1 4 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.752 0.688 25062 2370 1 4 . 1 1 20 20 LYS H H 20 7.977 7.977 7.641 0.336 25062 2371 1 4 . 1 1 21 21 GLU N N 21 120.451 120.451 119.834 0.617 25062 2372 1 4 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.151 -0.096 25062 2373 1 4 . 1 1 21 21 GLU C C 21 178.995 178.995 179.082 -0.087 25062 2374 1 4 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.751 0.352 25062 2375 1 4 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.005 0.158 25062 2376 1 4 . 1 1 21 21 GLU H H 21 7.813 7.813 7.766 0.047 25062 2377 1 4 . 1 1 22 22 VAL N N 22 119.654 119.654 119.802 -0.148 25062 2378 1 4 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.603 -0.163 25062 2379 1 4 . 1 1 22 22 VAL C C 22 176.428 176.428 178.182 -1.754 25062 2380 1 4 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.674 0.447 25062 2381 1 4 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.444 0.008 25062 2382 1 4 . 1 1 22 22 VAL H H 22 8.146 8.146 7.574 0.572 25062 2383 1 4 . 1 1 23 23 GLN N N 23 116.884 116.884 118.037 -1.153 25062 2384 1 4 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.173 -0.221 25062 2385 1 4 . 1 1 23 23 GLN C C 23 177.429 177.429 178.047 -0.618 25062 2386 1 4 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.481 0.286 25062 2387 1 4 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.657 -0.106 25062 2388 1 4 . 1 1 23 23 GLN H H 23 7.588 7.588 7.722 -0.134 25062 2389 1 4 . 1 1 24 24 LYS N N 24 116.529 116.529 117.442 -0.913 25062 2390 1 4 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.170 -0.174 25062 2391 1 4 . 1 1 24 24 LYS C C 24 177.508 177.508 178.525 -1.017 25062 2392 1 4 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.294 0.120 25062 2393 1 4 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.694 0.223 25062 2394 1 4 . 1 1 24 24 LYS H H 24 7.544 7.544 7.650 -0.106 25062 2395 1 4 . 1 1 25 25 HIS N N 25 119.657 119.657 118.465 1.192 25062 2396 1 4 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.352 -0.099 25062 2397 1 4 . 1 1 25 25 HIS C C 25 175.915 175.915 175.048 0.867 25062 2398 1 4 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.826 0.616 25062 2399 1 4 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.066 0.804 25062 2400 1 4 . 1 1 25 25 HIS H H 25 7.809 7.809 7.952 -0.143 25062 2401 1 4 . 1 1 26 26 ASP N N 26 113.221 113.221 115.762 -2.541 25062 2402 1 4 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.027 -0.292 25062 2403 1 4 . 1 1 26 26 ASP C C 26 173.856 173.856 174.481 -0.625 25062 2404 1 4 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.162 -0.492 25062 2405 1 4 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.643 -0.277 25062 2406 1 4 . 1 1 26 26 ASP H H 26 8.358 8.358 8.273 0.085 25062 2407 1 4 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.578 -0.012 25062 2408 1 4 . 1 1 27 27 PRO C C 27 176.845 176.845 176.504 0.341 25062 2409 1 4 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.856 0.021 25062 2410 1 4 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.179 0.106 25062 2411 1 4 . 1 1 28 28 ASN N N 28 115.529 115.529 114.524 1.005 25062 2412 1 4 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.671 0.001 25062 2413 1 4 . 1 1 28 28 ASN C C 28 175.632 175.632 175.036 0.596 25062 2414 1 4 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.783 0.031 25062 2415 1 4 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.112 -0.018 25062 2416 1 4 . 1 1 28 28 ASN H H 28 8.570 8.570 7.973 0.597 25062 2417 1 4 . 1 1 29 29 VAL N N 29 121.867 121.867 120.904 0.963 25062 2418 1 4 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.833 0.051 25062 2419 1 4 . 1 1 29 29 VAL C C 29 175.085 175.085 176.000 -0.915 25062 2420 1 4 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.585 -0.410 25062 2421 1 4 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.700 0.298 25062 2422 1 4 . 1 1 29 29 VAL H H 29 7.465 7.465 7.331 0.134 25062 2423 1 4 . 1 1 30 30 LYS N N 30 130.242 130.242 128.530 1.712 25062 2424 1 4 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.358 0.076 25062 2425 1 4 . 1 1 30 30 LYS C C 30 175.093 175.093 176.199 -1.106 25062 2426 1 4 . 1 1 30 30 LYS CA C 30 55.373 55.373 56.020 -0.647 25062 2427 1 4 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.134 -0.707 25062 2428 1 4 . 1 1 30 30 LYS H H 30 9.036 9.036 8.337 0.699 25062 2429 1 4 . 1 1 31 31 THR N N 31 113.173 113.173 113.976 -0.803 25062 2430 1 4 . 1 1 31 31 THR HA H 31 5.688 5.688 5.533 0.155 25062 2431 1 4 . 1 1 31 31 THR C C 31 174.708 174.708 173.799 0.909 25062 2432 1 4 . 1 1 31 31 THR CA C 31 58.537 58.537 60.011 -1.474 25062 2433 1 4 . 1 1 31 31 THR CB C 31 71.419 71.419 70.404 1.015 25062 2434 1 4 . 1 1 31 31 THR H H 31 8.185 8.185 8.323 -0.138 25062 2435 1 4 . 1 1 32 32 VAL N N 32 122.168 122.168 126.143 -3.975 25062 2436 1 4 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.729 0.166 25062 2437 1 4 . 1 1 32 32 VAL C C 32 173.388 173.388 174.161 -0.773 25062 2438 1 4 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.800 -0.067 25062 2439 1 4 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.014 -0.110 25062 2440 1 4 . 1 1 32 32 VAL H H 32 8.968 8.968 8.637 0.331 25062 2441 1 4 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.893 0.081 25062 2442 1 4 . 1 1 33 33 PRO C C 33 177.848 177.848 177.895 -0.047 25062 2443 1 4 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.312 0.030 25062 2444 1 4 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.691 0.330 25062 2445 1 4 . 1 1 34 34 THR N N 34 114.266 114.266 109.481 4.785 25062 2446 1 4 . 1 1 34 34 THR HA H 34 4.118 4.118 4.061 0.057 25062 2447 1 4 . 1 1 34 34 THR C C 34 176.879 176.879 176.216 0.663 25062 2448 1 4 . 1 1 34 34 THR CA C 34 64.607 64.607 65.226 -0.619 25062 2449 1 4 . 1 1 34 34 THR CB C 34 68.311 68.311 69.014 -0.703 25062 2450 1 4 . 1 1 34 34 THR H H 34 9.033 9.033 8.299 0.734 25062 2451 1 4 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.128 0.117 25062 2452 1 4 . 1 1 35 35 LYS C C 35 176.639 176.639 177.468 -0.829 25062 2453 1 4 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.376 -0.242 25062 2454 1 4 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.078 0.225 25062 2455 1 4 . 1 1 36 36 ASP N N 36 120.993 120.993 120.257 0.736 25062 2456 1 4 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.845 0.170 25062 2457 1 4 . 1 1 36 36 ASP C C 36 176.202 176.202 176.117 0.085 25062 2458 1 4 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.470 -0.034 25062 2459 1 4 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.549 0.561 25062 2460 1 4 . 1 1 36 36 ASP H H 36 7.726 7.726 7.722 0.004 25062 2461 1 4 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.902 0.086 25062 2462 1 4 . 1 1 37 37 LYS C C 37 177.948 177.948 177.868 0.080 25062 2463 1 4 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.701 -0.393 25062 2464 1 4 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.413 0.436 25062 2465 1 4 . 1 1 38 38 GLU N N 38 119.141 119.141 118.081 1.060 25062 2466 1 4 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.008 0.242 25062 2467 1 4 . 1 1 38 38 GLU C C 38 178.054 178.054 178.581 -0.527 25062 2468 1 4 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.761 -0.260 25062 2469 1 4 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.022 0.185 25062 2470 1 4 . 1 1 38 38 GLU H H 38 8.883 8.883 8.781 0.102 25062 2471 1 4 . 1 1 39 39 LYS N N 39 118.440 118.440 119.460 -1.020 25062 2472 1 4 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.099 0.408 25062 2473 1 4 . 1 1 39 39 LYS C C 39 177.126 177.126 178.753 -1.627 25062 2474 1 4 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.652 -2.345 25062 2475 1 4 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.015 0.409 25062 2476 1 4 . 1 1 39 39 LYS H H 39 8.064 8.064 8.021 0.043 25062 2477 1 4 . 1 1 40 40 VAL N N 40 118.130 118.130 119.923 -1.793 25062 2478 1 4 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.522 -0.127 25062 2479 1 4 . 1 1 40 40 VAL C C 40 176.934 176.934 177.172 -0.238 25062 2480 1 4 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.010 0.612 25062 2481 1 4 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.213 0.442 25062 2482 1 4 . 1 1 40 40 VAL H H 40 7.308 7.308 8.018 -0.710 25062 2483 1 4 . 1 1 41 41 LYS N N 41 118.555 118.555 119.070 -0.515 25062 2484 1 4 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.523 0.120 25062 2485 1 4 . 1 1 41 41 LYS C C 41 178.363 178.363 178.224 0.139 25062 2486 1 4 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.816 1.471 25062 2487 1 4 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.716 -0.262 25062 2488 1 4 . 1 1 41 41 LYS H H 41 8.150 8.150 7.853 0.297 25062 2489 1 4 . 1 1 42 42 GLU N N 42 119.454 119.454 117.742 1.712 25062 2490 1 4 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.097 0.001 25062 2491 1 4 . 1 1 42 42 GLU C C 42 179.552 179.552 179.134 0.418 25062 2492 1 4 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.936 0.320 25062 2493 1 4 . 1 1 42 42 GLU CB C 42 29.594 29.594 28.897 0.697 25062 2494 1 4 . 1 1 42 42 GLU H H 42 8.067 8.067 7.541 0.526 25062 2495 1 4 . 1 1 43 43 GLU N N 43 118.427 118.427 119.696 -1.269 25062 2496 1 4 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.124 0.171 25062 2497 1 4 . 1 1 43 43 GLU C C 43 180.076 180.076 179.360 0.716 25062 2498 1 4 . 1 1 43 43 GLU CA C 43 58.455 58.455 59.013 -0.557 25062 2499 1 4 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.374 -0.729 25062 2500 1 4 . 1 1 43 43 GLU H H 43 8.189 8.189 8.151 0.038 25062 2501 1 4 . 1 1 44 44 ILE N N 44 122.905 122.905 120.000 2.905 25062 2502 1 4 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.696 -0.061 25062 2503 1 4 . 1 1 44 44 ILE C C 44 176.828 176.828 177.788 -0.960 25062 2504 1 4 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.558 0.839 25062 2505 1 4 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.967 -0.428 25062 2506 1 4 . 1 1 44 44 ILE H H 44 8.734 8.734 8.462 0.272 25062 2507 1 4 . 1 1 45 45 GLU N N 45 120.098 120.098 121.390 -1.292 25062 2508 1 4 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.008 0.131 25062 2509 1 4 . 1 1 45 45 GLU C C 45 178.930 178.930 178.860 0.070 25062 2510 1 4 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.740 -0.251 25062 2511 1 4 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.611 -0.463 25062 2512 1 4 . 1 1 45 45 GLU H H 45 8.099 8.099 7.858 0.241 25062 2513 1 4 . 1 1 46 46 LYS N N 46 118.360 118.360 118.446 -0.086 25062 2514 1 4 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.105 -0.096 25062 2515 1 4 . 1 1 46 46 LYS C C 46 178.775 178.775 178.971 -0.196 25062 2516 1 4 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.317 1.585 25062 2517 1 4 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.682 1.020 25062 2518 1 4 . 1 1 46 46 LYS H H 46 7.854 7.854 7.935 -0.081 25062 2519 1 4 . 1 1 47 47 ALA N N 47 122.551 122.551 122.279 0.272 25062 2520 1 4 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.014 0.114 25062 2521 1 4 . 1 1 47 47 ALA C C 47 180.095 180.095 179.148 0.947 25062 2522 1 4 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.200 0.203 25062 2523 1 4 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.343 -0.638 25062 2524 1 4 . 1 1 47 47 ALA H H 47 8.135 8.135 8.172 -0.037 25062 2525 1 4 . 1 1 48 48 ARG N N 48 118.945 118.945 118.917 0.028 25062 2526 1 4 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.282 -0.225 25062 2527 1 4 . 1 1 48 48 ARG C C 48 179.960 179.960 178.650 1.310 25062 2528 1 4 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.903 0.384 25062 2529 1 4 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.378 -0.926 25062 2530 1 4 . 1 1 48 48 ARG H H 48 8.655 8.655 8.034 0.621 25062 2531 1 4 . 1 1 49 49 LYS N N 49 119.557 119.557 119.063 0.494 25062 2532 1 4 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.130 -0.073 25062 2533 1 4 . 1 1 49 49 LYS C C 49 178.288 178.288 178.716 -0.428 25062 2534 1 4 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.499 0.471 25062 2535 1 4 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.342 0.311 25062 2536 1 4 . 1 1 49 49 LYS H H 49 8.058 8.058 7.716 0.342 25062 2537 1 4 . 1 1 50 50 GLN N N 50 115.215 115.215 115.394 -0.179 25062 2538 1 4 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.382 -0.005 25062 2539 1 4 . 1 1 50 50 GLN C C 50 176.439 176.439 176.122 0.317 25062 2540 1 4 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.753 0.220 25062 2541 1 4 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.712 0.096 25062 2542 1 4 . 1 1 50 50 GLN H H 50 7.938 7.938 7.966 -0.028 25062 2543 1 4 . 1 1 51 51 GLY N N 51 109.413 109.413 107.676 1.737 25062 2544 1 4 . 1 1 51 51 GLY C C 51 174.570 174.570 173.910 0.660 25062 2545 1 4 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.660 0.935 25062 2546 1 4 . 1 1 51 51 GLY H H 51 8.070 8.070 7.624 0.446 25062 2547 1 4 . 1 1 52 52 ARG N N 52 119.414 119.414 118.894 0.520 25062 2548 1 4 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.733 0.169 25062 2549 1 4 . 1 1 52 52 ARG C C 52 173.093 173.093 174.036 -0.943 25062 2550 1 4 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.579 0.398 25062 2551 1 4 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.871 -0.461 25062 2552 1 4 . 1 1 52 52 ARG H H 52 7.950 7.950 7.956 -0.006 25062 2553 1 4 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.095 -0.021 25062 2554 1 4 . 1 1 53 53 PRO C C 53 174.179 174.179 175.952 -1.773 25062 2555 1 4 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.483 -0.506 25062 2556 1 4 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.891 -0.356 25062 2557 1 4 . 1 1 54 54 ILE N N 54 115.161 115.161 117.764 -2.603 25062 2558 1 4 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.711 0.247 25062 2559 1 4 . 1 1 54 54 ILE C C 54 172.097 172.097 173.350 -1.253 25062 2560 1 4 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.291 -1.518 25062 2561 1 4 . 1 1 54 54 ILE CB C 54 41.735 41.735 42.003 -0.268 25062 2562 1 4 . 1 1 54 54 ILE H H 54 7.718 7.718 8.274 -0.556 25062 2563 1 4 . 1 1 55 55 VAL N N 55 126.019 126.019 127.881 -1.862 25062 2564 1 4 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.696 0.184 25062 2565 1 4 . 1 1 55 55 VAL C C 55 173.844 173.844 174.566 -0.722 25062 2566 1 4 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.529 -0.236 25062 2567 1 4 . 1 1 55 55 VAL CB C 55 33.268 33.268 33.288 -0.020 25062 2568 1 4 . 1 1 55 55 VAL H H 55 8.352 8.352 8.837 -0.485 25062 2569 1 4 . 1 1 56 56 VAL N N 56 127.584 127.584 126.706 0.878 25062 2570 1 4 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.411 0.030 25062 2571 1 4 . 1 1 56 56 VAL C C 56 173.968 173.968 174.701 -0.733 25062 2572 1 4 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.979 -0.436 25062 2573 1 4 . 1 1 56 56 VAL CB C 56 34.380 34.380 33.470 0.910 25062 2574 1 4 . 1 1 56 56 VAL H H 56 9.291 9.291 8.507 0.784 25062 2575 1 4 . 1 1 57 57 PHE N N 57 125.432 125.432 127.483 -2.051 25062 2576 1 4 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.002 -0.072 25062 2577 1 4 . 1 1 57 57 PHE C C 57 174.987 174.987 174.797 0.190 25062 2578 1 4 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.994 1.214 25062 2579 1 4 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.576 0.310 25062 2580 1 4 . 1 1 57 57 PHE H H 57 8.585 8.585 8.817 -0.232 25062 2581 1 4 . 1 1 58 58 VAL N N 58 123.763 123.763 121.643 2.120 25062 2582 1 4 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.378 -0.176 25062 2583 1 4 . 1 1 58 58 VAL C C 58 174.791 174.791 175.013 -0.222 25062 2584 1 4 . 1 1 58 58 VAL CA C 58 60.881 60.881 59.949 0.932 25062 2585 1 4 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.015 -0.303 25062 2586 1 4 . 1 1 58 58 VAL H H 58 9.008 9.008 8.666 0.342 25062 2587 1 4 . 1 1 59 59 ARG N N 59 127.924 127.924 122.840 5.084 25062 2588 1 4 . 1 1 59 59 ARG HA H 59 4.582 4.582 5.057 -0.475 25062 2589 1 4 . 1 1 59 59 ARG C C 59 177.755 177.755 177.486 0.269 25062 2590 1 4 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.529 1.009 25062 2591 1 4 . 1 1 59 59 ARG CB C 59 30.513 30.513 32.361 -1.848 25062 2592 1 4 . 1 1 59 59 ARG H H 59 8.820 8.820 8.559 0.261 25062 2593 1 4 . 1 1 60 60 GLY N N 60 110.441 110.441 108.363 2.078 25062 2594 1 4 . 1 1 60 60 GLY C C 60 174.818 174.818 173.940 0.878 25062 2595 1 4 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.538 1.450 25062 2596 1 4 . 1 1 60 60 GLY H H 60 8.200 8.200 8.515 -0.315 25062 2597 1 4 . 1 1 61 61 GLY N N 61 109.411 109.411 110.856 -1.445 25062 2598 1 4 . 1 1 61 61 GLY C C 61 174.550 174.550 174.475 0.075 25062 2599 1 4 . 1 1 61 61 GLY CA C 61 45.431 45.431 46.235 -0.804 25062 2600 1 4 . 1 1 61 61 GLY H H 61 7.995 7.995 7.976 0.019 25062 2601 1 4 . 1 1 62 62 ASP N N 62 122.920 122.920 121.453 1.467 25062 2602 1 4 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.673 0.348 25062 2603 1 4 . 1 1 62 62 ASP C C 62 176.247 176.247 176.426 -0.179 25062 2604 1 4 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.449 -1.922 25062 2605 1 4 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.498 -0.684 25062 2606 1 4 . 1 1 62 62 ASP H H 62 8.090 8.090 7.847 0.243 25062 2607 1 4 . 1 1 63 63 ASP N N 63 121.058 121.058 120.283 0.775 25062 2608 1 4 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.279 -0.013 25062 2609 1 4 . 1 1 63 63 ASP C C 63 178.418 178.418 177.957 0.461 25062 2610 1 4 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.535 -0.195 25062 2611 1 4 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.082 0.490 25062 2612 1 4 . 1 1 63 63 ASP H H 63 8.023 8.023 8.669 -0.646 25062 2613 1 4 . 1 1 64 64 GLU N N 64 119.564 119.564 118.419 1.145 25062 2614 1 4 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.035 0.016 25062 2615 1 4 . 1 1 64 64 GLU C C 64 178.321 178.321 179.090 -0.769 25062 2616 1 4 . 1 1 64 64 GLU CA C 64 59.382 59.382 58.915 0.467 25062 2617 1 4 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.515 -0.471 25062 2618 1 4 . 1 1 64 64 GLU H H 64 8.760 8.760 8.396 0.364 25062 2619 1 4 . 1 1 65 65 ARG N N 65 119.839 119.839 119.283 0.556 25062 2620 1 4 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.203 -0.007 25062 2621 1 4 . 1 1 65 65 ARG C C 65 178.305 178.305 178.314 -0.009 25062 2622 1 4 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.615 0.437 25062 2623 1 4 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.264 0.373 25062 2624 1 4 . 1 1 65 65 ARG H H 65 7.643 7.643 7.587 0.056 25062 2625 1 4 . 1 1 66 66 ALA N N 66 118.984 118.984 122.340 -3.356 25062 2626 1 4 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.145 -0.279 25062 2627 1 4 . 1 1 66 66 ALA C C 66 178.638 178.638 179.332 -0.694 25062 2628 1 4 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.115 0.351 25062 2629 1 4 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.263 0.098 25062 2630 1 4 . 1 1 66 66 ALA H H 66 7.782 7.782 8.052 -0.270 25062 2631 1 4 . 1 1 67 67 LYS N N 67 117.711 117.711 117.448 0.263 25062 2632 1 4 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.066 -0.047 25062 2633 1 4 . 1 1 67 67 LYS C C 67 178.363 178.363 178.702 -0.339 25062 2634 1 4 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.546 0.027 25062 2635 1 4 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.060 0.164 25062 2636 1 4 . 1 1 67 67 LYS H H 67 8.010 8.010 8.254 -0.244 25062 2637 1 4 . 1 1 68 68 ASP N N 68 119.581 119.581 121.165 -1.584 25062 2638 1 4 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.547 -0.133 25062 2639 1 4 . 1 1 68 68 ASP C C 68 179.235 179.235 178.671 0.564 25062 2640 1 4 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.732 -0.238 25062 2641 1 4 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.698 0.689 25062 2642 1 4 . 1 1 68 68 ASP H H 68 7.999 7.999 7.737 0.262 25062 2643 1 4 . 1 1 69 69 ILE N N 69 119.307 119.307 120.922 -1.615 25062 2644 1 4 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.614 -0.021 25062 2645 1 4 . 1 1 69 69 ILE C C 69 176.927 176.927 177.845 -0.918 25062 2646 1 4 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.611 -0.385 25062 2647 1 4 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.825 0.038 25062 2648 1 4 . 1 1 69 69 ILE H H 69 8.283 8.283 8.039 0.244 25062 2649 1 4 . 1 1 70 70 ALA N N 70 121.395 121.395 122.086 -0.691 25062 2650 1 4 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.835 -0.103 25062 2651 1 4 . 1 1 70 70 ALA C C 70 178.770 178.770 179.252 -0.482 25062 2652 1 4 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.302 0.239 25062 2653 1 4 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.986 0.158 25062 2654 1 4 . 1 1 70 70 ALA H H 70 8.200 8.200 8.131 0.069 25062 2655 1 4 . 1 1 71 71 GLU N N 71 116.210 116.210 119.793 -3.583 25062 2656 1 4 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.214 -0.068 25062 2657 1 4 . 1 1 71 71 GLU C C 71 179.215 179.215 178.813 0.402 25062 2658 1 4 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.959 0.473 25062 2659 1 4 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.917 -0.333 25062 2660 1 4 . 1 1 71 71 GLU H H 71 8.402 8.402 8.010 0.392 25062 2661 1 4 . 1 1 72 72 TYR N N 72 121.372 121.372 121.154 0.218 25062 2662 1 4 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.126 0.076 25062 2663 1 4 . 1 1 72 72 TYR C C 72 176.699 176.699 177.297 -0.598 25062 2664 1 4 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.631 -0.325 25062 2665 1 4 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.400 -0.161 25062 2666 1 4 . 1 1 72 72 TYR H H 72 8.031 8.031 8.068 -0.037 25062 2667 1 4 . 1 1 73 73 ALA N N 73 119.994 119.994 120.135 -0.141 25062 2668 1 4 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.721 -0.110 25062 2669 1 4 . 1 1 73 73 ALA C C 73 178.786 178.786 178.813 -0.027 25062 2670 1 4 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.216 -0.045 25062 2671 1 4 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.960 0.541 25062 2672 1 4 . 1 1 73 73 ALA H H 73 8.588 8.588 8.137 0.451 25062 2673 1 4 . 1 1 74 74 GLN N N 74 116.775 116.775 118.632 -1.857 25062 2674 1 4 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.072 0.235 25062 2675 1 4 . 1 1 74 74 GLN C C 74 180.672 180.672 179.122 1.550 25062 2676 1 4 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.649 0.527 25062 2677 1 4 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.851 0.346 25062 2678 1 4 . 1 1 74 74 GLN H H 74 8.382 8.382 8.008 0.374 25062 2679 1 4 . 1 1 75 75 LYS N N 75 122.969 122.969 119.853 3.116 25062 2680 1 4 . 1 1 75 75 LYS HA H 75 4.056 4.056 3.962 0.094 25062 2681 1 4 . 1 1 75 75 LYS C C 75 178.547 178.547 178.292 0.255 25062 2682 1 4 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.813 0.414 25062 2683 1 4 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.076 -0.313 25062 2684 1 4 . 1 1 75 75 LYS H H 75 8.248 8.248 7.734 0.514 25062 2685 1 4 . 1 1 76 76 GLU N N 76 117.058 117.058 114.229 2.829 25062 2686 1 4 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.073 0.022 25062 2687 1 4 . 1 1 76 76 GLU C C 76 176.070 176.070 176.754 -0.684 25062 2688 1 4 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.221 -0.362 25062 2689 1 4 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.758 0.040 25062 2690 1 4 . 1 1 76 76 GLU H H 76 7.522 7.522 7.456 0.066 25062 2691 1 4 . 1 1 77 77 GLY N N 77 106.537 106.537 106.949 -0.412 25062 2692 1 4 . 1 1 77 77 GLY C C 77 174.570 174.570 174.442 0.128 25062 2693 1 4 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.646 -0.167 25062 2694 1 4 . 1 1 77 77 GLY H H 77 7.797 7.797 7.545 0.252 25062 2695 1 4 . 1 1 78 78 LEU N N 78 121.257 121.257 119.291 1.966 25062 2696 1 4 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.538 -0.132 25062 2697 1 4 . 1 1 78 78 LEU C C 78 176.139 176.139 176.533 -0.394 25062 2698 1 4 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.664 0.640 25062 2699 1 4 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.886 -0.774 25062 2700 1 4 . 1 1 78 78 LEU H H 78 8.008 8.008 7.606 0.402 25062 2701 1 4 . 1 1 79 79 ARG N N 79 121.135 121.135 123.731 -2.596 25062 2702 1 4 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.212 0.192 25062 2703 1 4 . 1 1 79 79 ARG C C 79 174.598 174.598 174.969 -0.371 25062 2704 1 4 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.031 0.853 25062 2705 1 4 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.889 1.478 25062 2706 1 4 . 1 1 79 79 ARG H H 79 8.062 8.062 8.051 0.011 25062 2707 1 4 . 1 1 80 80 VAL N N 80 123.517 123.517 127.440 -3.923 25062 2708 1 4 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.725 0.040 25062 2709 1 4 . 1 1 80 80 VAL C C 80 175.373 175.373 175.190 0.183 25062 2710 1 4 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.015 0.622 25062 2711 1 4 . 1 1 80 80 VAL CB C 80 34.003 34.003 31.853 2.150 25062 2712 1 4 . 1 1 80 80 VAL H H 80 8.377 8.377 8.339 0.038 25062 2713 1 4 . 1 1 81 81 ILE N N 81 129.083 129.083 128.363 0.720 25062 2714 1 4 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.772 0.111 25062 2715 1 4 . 1 1 81 81 ILE C C 81 173.899 173.899 174.703 -0.804 25062 2716 1 4 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.744 -0.018 25062 2717 1 4 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.989 0.093 25062 2718 1 4 . 1 1 81 81 ILE H H 81 8.812 8.812 8.609 0.203 25062 2719 1 4 . 1 1 82 82 VAL N N 82 126.531 126.531 126.538 -0.007 25062 2720 1 4 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.976 0.011 25062 2721 1 4 . 1 1 82 82 VAL C C 82 174.164 174.164 174.786 -0.622 25062 2722 1 4 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.208 -0.883 25062 2723 1 4 . 1 1 82 82 VAL CB C 82 34.417 34.417 34.478 -0.061 25062 2724 1 4 . 1 1 82 82 VAL H H 82 9.085 9.085 8.366 0.719 25062 2725 1 4 . 1 1 83 83 ILE N N 83 127.143 127.143 127.972 -0.829 25062 2726 1 4 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.972 -0.068 25062 2727 1 4 . 1 1 83 83 ILE C C 83 174.044 174.044 175.474 -1.430 25062 2728 1 4 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.217 -0.201 25062 2729 1 4 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.572 0.244 25062 2730 1 4 . 1 1 83 83 ILE H H 83 9.391 9.391 8.731 0.660 25062 2731 1 4 . 1 1 84 84 ILE N N 84 126.750 126.750 128.809 -2.059 25062 2732 1 4 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.940 -0.494 25062 2733 1 4 . 1 1 84 84 ILE C C 84 174.788 174.788 175.353 -0.565 25062 2734 1 4 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.526 0.526 25062 2735 1 4 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.558 0.474 25062 2736 1 4 . 1 1 84 84 ILE H H 84 8.714 8.714 8.725 -0.011 25062 2737 1 4 . 1 1 85 85 VAL N N 85 127.160 127.160 127.941 -0.781 25062 2738 1 4 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.981 -0.002 25062 2739 1 4 . 1 1 85 85 VAL C C 85 176.539 176.539 174.724 1.815 25062 2740 1 4 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.268 -1.206 25062 2741 1 4 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.129 -0.255 25062 2742 1 4 . 1 1 85 85 VAL H H 85 8.464 8.464 8.766 -0.302 25062 2743 1 4 . 1 1 86 86 SER N N 86 121.723 121.723 120.101 1.622 25062 2744 1 4 . 1 1 86 86 SER HA H 86 4.490 4.490 4.904 -0.414 25062 2745 1 4 . 1 1 86 86 SER C C 86 172.447 172.447 173.539 -1.092 25062 2746 1 4 . 1 1 86 86 SER CA C 86 58.131 58.131 57.427 0.704 25062 2747 1 4 . 1 1 86 86 SER CB C 86 64.121 64.121 65.299 -1.178 25062 2748 1 4 . 1 1 86 86 SER H H 86 8.725 8.725 8.815 -0.090 25062 2749 1 4 . 1 1 87 87 GLN N N 87 121.657 121.657 121.638 0.019 25062 2750 1 4 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.281 0.288 25062 2751 1 4 . 1 1 87 87 GLN C C 87 175.732 175.732 175.881 -0.149 25062 2752 1 4 . 1 1 87 87 GLN CA C 87 56.426 56.426 56.824 -0.398 25062 2753 1 4 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.143 -0.024 25062 2754 1 4 . 1 1 87 87 GLN H H 87 8.516 8.516 8.793 -0.277 25062 2755 1 4 . 1 1 88 88 ASP N N 88 121.146 121.146 122.887 -1.741 25062 2756 1 4 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.607 0.093 25062 2757 1 4 . 1 1 88 88 ASP C C 88 175.752 175.752 176.708 -0.956 25062 2758 1 4 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.797 -1.718 25062 2759 1 4 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.646 0.557 25062 2760 1 4 . 1 1 88 88 ASP H H 88 8.459 8.459 7.662 0.797 25062 2761 1 4 . 1 1 89 89 GLU N N 89 125.736 125.736 125.274 0.462 25062 2762 1 4 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.859 0.075 25062 2763 1 4 . 1 1 89 89 GLU C C 89 178.820 178.820 178.369 0.451 25062 2764 1 4 . 1 1 89 89 GLU CA C 89 59.544 59.544 60.000 -0.456 25062 2765 1 4 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.395 0.232 25062 2766 1 4 . 1 1 89 89 GLU H H 89 8.840 8.840 8.812 0.028 25062 2767 1 4 . 1 1 90 90 GLU N N 90 119.813 119.813 118.932 0.881 25062 2768 1 4 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.052 0.184 25062 2769 1 4 . 1 1 90 90 GLU C C 90 178.385 178.385 178.415 -0.030 25062 2770 1 4 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.554 -0.747 25062 2771 1 4 . 1 1 90 90 GLU CB C 90 29.177 29.177 28.944 0.233 25062 2772 1 4 . 1 1 90 90 GLU H H 90 8.300 8.300 8.748 -0.448 25062 2773 1 4 . 1 1 91 91 ALA N N 91 123.211 123.211 121.582 1.629 25062 2774 1 4 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.201 -0.070 25062 2775 1 4 . 1 1 91 91 ALA C C 91 181.895 181.895 179.774 2.121 25062 2776 1 4 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.387 0.313 25062 2777 1 4 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.225 -0.344 25062 2778 1 4 . 1 1 91 91 ALA H H 91 7.670 7.670 8.034 -0.364 25062 2779 1 4 . 1 1 92 92 LEU N N 92 118.903 118.903 119.142 -0.239 25062 2780 1 4 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.883 0.122 25062 2781 1 4 . 1 1 92 92 LEU C C 92 177.951 177.951 179.251 -1.300 25062 2782 1 4 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.075 -0.125 25062 2783 1 4 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.718 0.464 25062 2784 1 4 . 1 1 92 92 LEU H H 92 8.190 8.190 8.074 0.116 25062 2785 1 4 . 1 1 93 93 ARG N N 93 118.916 118.916 117.710 1.206 25062 2786 1 4 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.113 -0.015 25062 2787 1 4 . 1 1 93 93 ARG C C 93 178.775 178.775 178.999 -0.224 25062 2788 1 4 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.614 -0.272 25062 2789 1 4 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.046 0.099 25062 2790 1 4 . 1 1 93 93 ARG H H 93 7.868 7.868 8.070 -0.202 25062 2791 1 4 . 1 1 94 94 LYS N N 94 118.989 118.989 119.635 -0.646 25062 2792 1 4 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.150 -0.093 25062 2793 1 4 . 1 1 94 94 LYS C C 94 179.270 179.270 179.063 0.207 25062 2794 1 4 . 1 1 94 94 LYS CA C 94 59.235 59.235 58.868 0.367 25062 2795 1 4 . 1 1 94 94 LYS CB C 94 32.434 32.434 31.780 0.654 25062 2796 1 4 . 1 1 94 94 LYS H H 94 8.236 8.236 7.640 0.596 25062 2797 1 4 . 1 1 95 95 GLY N N 95 107.084 107.084 106.790 0.294 25062 2798 1 4 . 1 1 95 95 GLY C C 95 175.285 175.285 175.940 -0.655 25062 2799 1 4 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.619 0.426 25062 2800 1 4 . 1 1 95 95 GLY H H 95 8.296 8.296 7.765 0.531 25062 2801 1 4 . 1 1 96 96 TYR N N 96 121.591 121.591 123.389 -1.798 25062 2802 1 4 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.072 -0.026 25062 2803 1 4 . 1 1 96 96 TYR C C 96 176.428 176.428 177.390 -0.962 25062 2804 1 4 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.249 0.195 25062 2805 1 4 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.494 0.096 25062 2806 1 4 . 1 1 96 96 TYR H H 96 8.372 8.372 8.163 0.209 25062 2807 1 4 . 1 1 97 97 GLU N N 97 117.883 117.883 117.121 0.762 25062 2808 1 4 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.681 0.150 25062 2809 1 4 . 1 1 97 97 GLU C C 97 178.775 178.775 178.929 -0.154 25062 2810 1 4 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.385 -0.136 25062 2811 1 4 . 1 1 97 97 GLU CB C 97 29.542 29.542 28.993 0.549 25062 2812 1 4 . 1 1 97 97 GLU H H 97 8.205 8.205 8.127 0.078 25062 2813 1 4 . 1 1 98 98 ASP N N 98 117.644 117.644 119.935 -2.291 25062 2814 1 4 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.339 0.006 25062 2815 1 4 . 1 1 98 98 ASP C C 98 177.978 177.978 178.694 -0.716 25062 2816 1 4 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.071 0.042 25062 2817 1 4 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.931 1.060 25062 2818 1 4 . 1 1 98 98 ASP H H 98 8.139 8.139 7.804 0.335 25062 2819 1 4 . 1 1 99 99 LYS N N 99 116.691 116.691 118.273 -1.582 25062 2820 1 4 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.103 -0.079 25062 2821 1 4 . 1 1 99 99 LYS C C 99 178.061 178.061 178.719 -0.658 25062 2822 1 4 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.223 -0.217 25062 2823 1 4 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.483 -0.107 25062 2824 1 4 . 1 1 99 99 LYS H H 99 7.886 7.886 7.817 0.069 25062 2825 1 4 . 1 1 100 100 LYS N N 100 120.645 120.645 120.824 -0.179 25062 2826 1 4 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.177 -0.103 25062 2827 1 4 . 1 1 100 100 LYS C C 100 180.486 180.486 179.279 1.207 25062 2828 1 4 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.867 -0.684 25062 2829 1 4 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.987 -0.621 25062 2830 1 4 . 1 1 100 100 LYS H H 100 8.395 8.395 7.803 0.592 25062 2831 1 4 . 1 1 101 101 LYS N N 101 119.297 119.297 118.187 1.110 25062 2832 1 4 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.071 0.011 25062 2833 1 4 . 1 1 101 101 LYS C C 101 177.669 177.669 177.390 0.279 25062 2834 1 4 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.136 0.330 25062 2835 1 4 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.362 -0.117 25062 2836 1 4 . 1 1 101 101 LYS H H 101 7.713 7.713 7.845 -0.132 25062 2837 1 4 . 1 1 102 102 LYS N N 102 116.847 116.847 117.536 -0.689 25062 2838 1 4 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.151 -0.058 25062 2839 1 4 . 1 1 102 102 LYS C C 102 176.357 176.357 176.242 0.115 25062 2840 1 4 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.303 0.486 25062 2841 1 4 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.136 -0.133 25062 2842 1 4 . 1 1 102 102 LYS H H 102 7.124 7.124 7.107 0.017 25062 2843 1 4 . 1 1 103 103 GLY N N 103 105.781 105.781 106.714 -0.933 25062 2844 1 4 . 1 1 103 103 GLY C C 103 174.378 174.378 173.869 0.509 25062 2845 1 4 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.043 0.011 25062 2846 1 4 . 1 1 103 103 GLY H H 103 7.771 7.771 7.550 0.221 25062 2847 1 4 . 1 1 104 104 TYR N N 104 119.257 119.257 118.170 1.087 25062 2848 1 4 . 1 1 104 104 TYR HA H 104 4.938 4.938 5.101 -0.163 25062 2849 1 4 . 1 1 104 104 TYR C C 104 175.223 175.223 175.134 0.089 25062 2850 1 4 . 1 1 104 104 TYR CA C 104 54.451 54.451 54.603 -0.152 25062 2851 1 4 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.752 -2.007 25062 2852 1 4 . 1 1 104 104 TYR H H 104 6.914 6.914 7.250 -0.336 25062 2853 1 4 . 1 1 105 105 ASP N N 105 122.574 122.574 124.237 -1.663 25062 2854 1 4 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.655 0.126 25062 2855 1 4 . 1 1 105 105 ASP C C 105 174.818 174.818 175.059 -0.241 25062 2856 1 4 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.597 -0.382 25062 2857 1 4 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.668 1.133 25062 2858 1 4 . 1 1 105 105 ASP H H 105 8.223 8.223 8.424 -0.201 25062 2859 1 4 . 1 1 106 106 VAL N N 106 121.990 121.990 122.515 -0.525 25062 2860 1 4 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.941 0.316 25062 2861 1 4 . 1 1 106 106 VAL C C 106 173.835 173.835 175.631 -1.796 25062 2862 1 4 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.461 -0.419 25062 2863 1 4 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.140 1.239 25062 2864 1 4 . 1 1 106 106 VAL H H 106 7.876 7.876 7.955 -0.079 25062 2865 1 4 . 1 1 107 107 TYR N N 107 125.444 125.444 125.219 0.225 25062 2866 1 4 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.928 0.079 25062 2867 1 4 . 1 1 107 107 TYR C C 107 174.765 174.765 174.886 -0.121 25062 2868 1 4 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.541 -0.476 25062 2869 1 4 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.055 -0.166 25062 2870 1 4 . 1 1 107 107 TYR H H 107 9.400 9.400 9.238 0.162 25062 2871 1 4 . 1 1 108 108 THR N N 108 111.100 111.100 114.736 -3.636 25062 2872 1 4 . 1 1 108 108 THR HA H 108 5.212 5.212 5.063 0.149 25062 2873 1 4 . 1 1 108 108 THR C C 108 174.350 174.350 174.278 0.072 25062 2874 1 4 . 1 1 108 108 THR CA C 108 59.514 59.514 60.355 -0.841 25062 2875 1 4 . 1 1 108 108 THR CB C 108 70.911 70.911 70.304 0.607 25062 2876 1 4 . 1 1 108 108 THR H H 108 8.801 8.801 8.532 0.269 25062 2877 1 4 . 1 1 109 109 SER N N 109 114.650 114.650 121.496 -6.846 25062 2878 1 4 . 1 1 109 109 SER HA H 109 4.901 4.901 4.952 -0.051 25062 2879 1 4 . 1 1 109 109 SER C C 109 172.399 172.399 174.555 -2.156 25062 2880 1 4 . 1 1 109 109 SER CA C 109 57.974 57.974 56.463 1.511 25062 2881 1 4 . 1 1 109 109 SER CB C 109 67.764 67.764 66.596 1.169 25062 2882 1 4 . 1 1 109 109 SER H H 109 8.565 8.565 8.919 -0.354 25062 2883 1 4 . 1 1 110 110 ARG N N 110 119.807 119.807 122.739 -2.932 25062 2884 1 4 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.709 0.300 25062 2885 1 4 . 1 1 110 110 ARG C C 110 175.995 175.995 176.116 -0.121 25062 2886 1 4 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.672 -0.663 25062 2887 1 4 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.298 1.519 25062 2888 1 4 . 1 1 110 110 ARG H H 110 8.948 8.948 9.034 -0.086 25062 2889 1 4 . 1 1 111 111 ASN N N 111 110.690 110.690 113.069 -2.379 25062 2890 1 4 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.807 -0.174 25062 2891 1 4 . 1 1 111 111 ASN C C 111 174.460 174.460 174.798 -0.338 25062 2892 1 4 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.325 -0.955 25062 2893 1 4 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.288 0.829 25062 2894 1 4 . 1 1 111 111 ASN H H 111 7.426 7.426 7.561 -0.135 25062 2895 1 4 . 1 1 112 112 GLU N N 112 119.451 119.451 119.278 0.173 25062 2896 1 4 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.011 -0.203 25062 2897 1 4 . 1 1 112 112 GLU C C 112 176.445 176.445 177.316 -0.871 25062 2898 1 4 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.824 0.369 25062 2899 1 4 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.526 1.080 25062 2900 1 4 . 1 1 112 112 GLU H H 112 9.529 9.529 8.739 0.790 25062 2901 1 4 . 1 1 113 113 ASP N N 113 120.739 120.739 118.999 1.740 25062 2902 1 4 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.427 -0.058 25062 2903 1 4 . 1 1 113 113 ASP C C 113 179.043 179.043 178.630 0.413 25062 2904 1 4 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.553 0.552 25062 2905 1 4 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.514 0.433 25062 2906 1 4 . 1 1 113 113 ASP H H 113 8.256 8.256 8.397 -0.141 25062 2907 1 4 . 1 1 114 114 GLU N N 114 119.817 119.817 120.170 -0.353 25062 2908 1 4 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.001 0.049 25062 2909 1 4 . 1 1 114 114 GLU C C 114 178.770 178.770 178.753 0.017 25062 2910 1 4 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.887 0.353 25062 2911 1 4 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.186 1.470 25062 2912 1 4 . 1 1 114 114 GLU H H 114 8.577 8.577 7.792 0.785 25062 2913 1 4 . 1 1 115 115 ALA N N 115 121.470 121.470 121.882 -0.412 25062 2914 1 4 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.029 0.026 25062 2915 1 4 . 1 1 115 115 ALA C C 115 178.962 178.962 179.180 -0.218 25062 2916 1 4 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.135 0.079 25062 2917 1 4 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.289 1.568 25062 2918 1 4 . 1 1 115 115 ALA H H 115 8.358 8.358 7.983 0.375 25062 2919 1 4 . 1 1 116 116 LYS N N 116 117.285 117.285 118.920 -1.635 25062 2920 1 4 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.032 -0.374 25062 2921 1 4 . 1 1 116 116 LYS C C 116 178.583 178.583 178.649 -0.066 25062 2922 1 4 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.494 1.423 25062 2923 1 4 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.417 0.394 25062 2924 1 4 . 1 1 116 116 LYS H H 116 8.350 8.350 8.078 0.272 25062 2925 1 4 . 1 1 117 117 LYS N N 117 118.433 118.433 118.513 -0.080 25062 2926 1 4 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.080 -0.094 25062 2927 1 4 . 1 1 117 117 LYS C C 117 179.380 179.380 179.011 0.369 25062 2928 1 4 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.214 0.391 25062 2929 1 4 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.156 0.226 25062 2930 1 4 . 1 1 117 117 LYS H H 117 7.345 7.345 7.811 -0.466 25062 2931 1 4 . 1 1 118 118 LYS N N 118 118.166 118.166 119.261 -1.095 25062 2932 1 4 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.928 0.011 25062 2933 1 4 . 1 1 118 118 LYS C C 118 178.088 178.088 179.022 -0.934 25062 2934 1 4 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.778 -0.222 25062 2935 1 4 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.489 -0.349 25062 2936 1 4 . 1 1 118 118 LYS H H 118 8.130 8.130 7.559 0.571 25062 2937 1 4 . 1 1 119 119 LEU N N 119 120.654 120.654 121.186 -0.532 25062 2938 1 4 . 1 1 119 119 LEU HA H 119 3.784 3.784 4.014 -0.230 25062 2939 1 4 . 1 1 119 119 LEU C C 119 177.567 177.567 178.170 -0.603 25062 2940 1 4 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.766 0.148 25062 2941 1 4 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.783 0.391 25062 2942 1 4 . 1 1 119 119 LEU H H 119 8.592 8.592 7.898 0.694 25062 2943 1 4 . 1 1 120 120 LYS N N 120 118.314 118.314 118.411 -0.097 25062 2944 1 4 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.747 -0.202 25062 2945 1 4 . 1 1 120 120 LYS C C 120 178.624 178.624 179.013 -0.389 25062 2946 1 4 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.668 0.622 25062 2947 1 4 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.245 -0.481 25062 2948 1 4 . 1 1 120 120 LYS H H 120 7.753 7.753 7.534 0.219 25062 2949 1 4 . 1 1 121 121 GLU N N 121 118.446 118.446 119.624 -1.178 25062 2950 1 4 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.262 -0.256 25062 2951 1 4 . 1 1 121 121 GLU C C 121 178.744 178.744 178.710 0.034 25062 2952 1 4 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.062 0.478 25062 2953 1 4 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.390 -0.027 25062 2954 1 4 . 1 1 121 121 GLU H H 121 7.777 7.777 8.005 -0.228 25062 2955 1 4 . 1 1 122 122 ALA N N 122 121.333 121.333 121.560 -0.227 25062 2956 1 4 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.186 -0.231 25062 2957 1 4 . 1 1 122 122 ALA C C 122 179.973 179.973 179.282 0.691 25062 2958 1 4 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.750 0.210 25062 2959 1 4 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.573 -0.145 25062 2960 1 4 . 1 1 122 122 ALA H H 122 8.229 8.229 7.572 0.657 25062 2961 1 4 . 1 1 123 123 LEU N N 123 118.790 118.790 118.043 0.747 25062 2962 1 4 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.088 -0.308 25062 2963 1 4 . 1 1 123 123 LEU C C 123 179.703 179.703 179.708 -0.005 25062 2964 1 4 . 1 1 123 123 LEU CA C 123 57.889 57.889 56.680 1.209 25062 2965 1 4 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.504 -0.652 25062 2966 1 4 . 1 1 123 123 LEU H H 123 8.177 8.177 7.569 0.608 25062 2967 1 4 . 1 1 124 124 GLU N N 124 120.881 120.881 119.217 1.664 25062 2968 1 4 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.043 0.101 25062 2969 1 4 . 1 1 124 124 GLU C C 124 179.732 179.732 178.452 1.280 25062 2970 1 4 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.318 0.121 25062 2971 1 4 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.238 0.282 25062 2972 1 4 . 1 1 124 124 GLU H H 124 8.393 8.393 8.081 0.312 25062 2973 1 4 . 1 1 125 125 LYS N N 125 119.526 119.526 118.917 0.609 25062 2974 1 4 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.160 0.099 25062 2975 1 4 . 1 1 125 125 LYS C C 125 177.862 177.862 178.327 -0.465 25062 2976 1 4 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.544 -0.599 25062 2977 1 4 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.550 -0.193 25062 2978 1 4 . 1 1 125 125 LYS H H 125 8.290 8.290 7.513 0.777 25062 2979 1 4 . 1 1 126 126 SER N N 126 114.103 114.103 112.470 1.633 25062 2980 1 4 . 1 1 126 126 SER HA H 126 4.385 4.385 4.432 -0.047 25062 2981 1 4 . 1 1 126 126 SER C C 126 174.460 174.460 175.128 -0.668 25062 2982 1 4 . 1 1 126 126 SER CA C 126 59.611 59.611 58.445 1.166 25062 2983 1 4 . 1 1 126 126 SER CB C 126 63.479 63.479 63.549 -0.070 25062 2984 1 4 . 1 1 126 126 SER H H 126 7.702 7.702 7.598 0.104 25062 2985 1 4 . 1 1 127 127 GLY N N 127 108.584 108.584 108.204 0.380 25062 2986 1 4 . 1 1 127 127 GLY C C 127 174.103 174.103 175.367 -1.264 25062 2987 1 4 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.398 0.039 25062 2988 1 4 . 1 1 127 127 GLY H H 127 7.933 7.933 7.528 0.405 25062 2989 1 4 . 1 1 128 128 SER N N 128 115.990 115.990 116.218 -0.228 25062 2990 1 4 . 1 1 128 128 SER HA H 128 4.590 4.590 4.537 0.053 25062 2991 1 4 . 1 1 128 128 SER C C 128 174.412 174.412 173.434 0.978 25062 2992 1 4 . 1 1 128 128 SER CA C 128 57.986 57.986 58.533 -0.547 25062 2993 1 4 . 1 1 128 128 SER CB C 128 63.336 63.336 61.497 1.839 25062 2994 1 4 . 1 1 128 128 SER H H 128 8.091 8.091 7.821 0.270 25062 2995 1 4 . 1 1 129 129 LEU N N 129 125.492 125.492 124.006 1.486 25062 2996 1 4 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.804 -0.363 25062 2997 1 4 . 1 1 129 129 LEU C C 129 177.084 177.084 176.648 0.436 25062 2998 1 4 . 1 1 129 129 LEU CA C 129 54.876 54.876 55.587 -0.710 25062 2999 1 4 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.553 -2.244 25062 3000 1 4 . 1 1 129 129 LEU H H 129 8.262 8.262 7.850 0.412 25062 3001 1 4 . 1 1 130 130 GLU N N 130 121.006 121.006 117.299 3.707 25062 3002 1 4 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.572 -0.597 25062 3003 1 4 . 1 1 130 130 GLU C C 130 176.435 176.435 174.593 1.842 25062 3004 1 4 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.119 0.693 25062 3005 1 4 . 1 1 130 130 GLU CB C 130 30.279 30.279 31.700 -1.421 25062 3006 1 4 . 1 1 130 130 GLU H H 130 8.398 8.398 8.107 0.291 25062 3007 1 4 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.675 -0.084 25062 3008 1 4 . 1 1 131 131 HIS C C 131 174.179 174.179 173.320 0.859 25062 3009 1 4 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.788 0.361 25062 3010 1 4 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.101 0.730 25062 3011 1 4 . 1 1 132 132 HIS N N 132 125.794 125.794 121.422 4.372 25062 3012 1 4 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.506 -0.090 25062 3013 1 4 . 1 1 132 132 HIS C C 132 179.523 179.523 175.485 4.038 25062 3014 1 4 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.202 2.314 25062 3015 1 4 . 1 1 132 132 HIS CB C 132 31.008 31.008 27.677 3.331 25062 3016 1 4 . 1 1 132 132 HIS H H 132 7.935 7.935 8.319 -0.384 25062 3017 1 5 . 1 1 2 2 GLY N N 2 109.342 109.342 108.595 0.747 25062 3018 1 5 . 1 1 2 2 GLY C C 2 172.736 172.736 173.527 -0.791 25062 3019 1 5 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.370 0.286 25062 3020 1 5 . 1 1 2 2 GLY H H 2 8.632 8.632 8.481 0.151 25062 3021 1 5 . 1 1 3 3 VAL N N 3 123.457 123.457 126.410 -2.953 25062 3022 1 5 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.525 0.456 25062 3023 1 5 . 1 1 3 3 VAL C C 3 173.780 173.780 175.165 -1.385 25062 3024 1 5 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.708 -1.358 25062 3025 1 5 . 1 1 3 3 VAL CB C 3 36.113 36.113 34.507 1.606 25062 3026 1 5 . 1 1 3 3 VAL H H 3 7.516 7.516 7.599 -0.083 25062 3027 1 5 . 1 1 4 4 VAL N N 4 125.375 125.375 128.443 -3.068 25062 3028 1 5 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.404 0.127 25062 3029 1 5 . 1 1 4 4 VAL C C 4 173.185 173.185 175.238 -2.053 25062 3030 1 5 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.790 -1.289 25062 3031 1 5 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.073 1.722 25062 3032 1 5 . 1 1 4 4 VAL H H 4 8.810 8.810 8.496 0.314 25062 3033 1 5 . 1 1 5 5 ILE N N 5 127.180 127.180 128.655 -1.475 25062 3034 1 5 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.915 -0.046 25062 3035 1 5 . 1 1 5 5 ILE C C 5 174.303 174.303 175.069 -0.766 25062 3036 1 5 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.145 -0.735 25062 3037 1 5 . 1 1 5 5 ILE CB C 5 38.643 38.643 39.532 -0.889 25062 3038 1 5 . 1 1 5 5 ILE H H 5 8.800 8.800 8.911 -0.111 25062 3039 1 5 . 1 1 6 6 LEU N N 6 129.025 129.025 128.142 0.883 25062 3040 1 5 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.806 0.207 25062 3041 1 5 . 1 1 6 6 LEU C C 6 174.847 174.847 175.723 -0.876 25062 3042 1 5 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.943 -0.475 25062 3043 1 5 . 1 1 6 6 LEU CB C 6 44.293 44.293 43.138 1.155 25062 3044 1 5 . 1 1 6 6 LEU H H 6 9.424 9.424 9.035 0.389 25062 3045 1 5 . 1 1 7 7 VAL N N 7 123.364 123.364 125.583 -2.219 25062 3046 1 5 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.696 -0.039 25062 3047 1 5 . 1 1 7 7 VAL C C 7 174.210 174.210 175.405 -1.195 25062 3048 1 5 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.390 -0.563 25062 3049 1 5 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.384 -0.131 25062 3050 1 5 . 1 1 7 7 VAL H H 7 8.653 8.653 8.950 -0.297 25062 3051 1 5 . 1 1 8 8 LEU N N 8 130.560 130.560 130.706 -0.146 25062 3052 1 5 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.133 0.163 25062 3053 1 5 . 1 1 8 8 LEU C C 8 175.744 175.744 176.649 -0.905 25062 3054 1 5 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.231 -0.345 25062 3055 1 5 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.639 0.857 25062 3056 1 5 . 1 1 8 8 LEU H H 8 9.069 9.069 8.823 0.246 25062 3057 1 5 . 1 1 9 9 THR N N 9 112.810 112.810 114.032 -1.222 25062 3058 1 5 . 1 1 9 9 THR HA H 9 4.959 4.959 5.070 -0.111 25062 3059 1 5 . 1 1 9 9 THR C C 9 174.213 174.213 175.778 -1.565 25062 3060 1 5 . 1 1 9 9 THR CA C 9 59.948 59.948 59.443 0.505 25062 3061 1 5 . 1 1 9 9 THR CB C 9 70.756 70.756 71.523 -0.767 25062 3062 1 5 . 1 1 9 9 THR H H 9 8.028 8.028 8.364 -0.336 25062 3063 1 5 . 1 1 10 10 GLY N N 10 107.740 107.740 111.031 -3.291 25062 3064 1 5 . 1 1 10 10 GLY C C 10 173.064 173.064 174.007 -0.943 25062 3065 1 5 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.222 -0.792 25062 3066 1 5 . 1 1 10 10 GLY H H 10 7.827 7.827 8.581 -0.754 25062 3067 1 5 . 1 1 11 11 ASP N N 11 119.119 119.119 119.045 0.074 25062 3068 1 5 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.760 0.093 25062 3069 1 5 . 1 1 11 11 ASP C C 11 176.118 176.118 176.281 -0.163 25062 3070 1 5 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.551 0.421 25062 3071 1 5 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.770 0.471 25062 3072 1 5 . 1 1 11 11 ASP H H 11 7.642 7.642 7.729 -0.087 25062 3073 1 5 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.084 0.016 25062 3074 1 5 . 1 1 12 12 GLU C C 12 178.508 178.508 177.547 0.961 25062 3075 1 5 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.596 -0.132 25062 3076 1 5 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.012 -0.679 25062 3077 1 5 . 1 1 13 13 ARG N N 13 121.589 121.589 119.460 2.129 25062 3078 1 5 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.083 0.054 25062 3079 1 5 . 1 1 13 13 ARG C C 13 179.625 179.625 178.200 1.425 25062 3080 1 5 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.400 1.018 25062 3081 1 5 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.688 -0.333 25062 3082 1 5 . 1 1 13 13 ARG H H 13 8.593 8.593 7.674 0.919 25062 3083 1 5 . 1 1 14 14 ILE N N 14 119.911 119.911 119.560 0.351 25062 3084 1 5 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.672 -0.022 25062 3085 1 5 . 1 1 14 14 ILE C C 14 177.727 177.727 177.135 0.592 25062 3086 1 5 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.608 0.550 25062 3087 1 5 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.568 -0.229 25062 3088 1 5 . 1 1 14 14 ILE H H 14 7.823 7.823 7.802 0.021 25062 3089 1 5 . 1 1 15 15 ALA N N 15 121.015 121.015 121.266 -0.251 25062 3090 1 5 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.898 -0.179 25062 3091 1 5 . 1 1 15 15 ALA C C 15 178.994 178.994 179.569 -0.575 25062 3092 1 5 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.196 0.694 25062 3093 1 5 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.866 -0.015 25062 3094 1 5 . 1 1 15 15 ALA H H 15 7.610 7.610 7.611 -0.001 25062 3095 1 5 . 1 1 16 16 GLU N N 16 117.655 117.655 117.807 -0.152 25062 3096 1 5 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.793 0.341 25062 3097 1 5 . 1 1 16 16 GLU C C 16 178.517 178.517 179.173 -0.656 25062 3098 1 5 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.952 -0.673 25062 3099 1 5 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.056 0.166 25062 3100 1 5 . 1 1 16 16 GLU H H 16 7.808 7.808 7.552 0.256 25062 3101 1 5 . 1 1 17 17 GLU N N 17 119.648 119.648 119.435 0.213 25062 3102 1 5 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.078 -0.024 25062 3103 1 5 . 1 1 17 17 GLU C C 17 180.213 180.213 179.211 1.002 25062 3104 1 5 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.529 0.705 25062 3105 1 5 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.264 -0.112 25062 3106 1 5 . 1 1 17 17 GLU H H 17 8.002 8.002 7.569 0.433 25062 3107 1 5 . 1 1 18 18 LEU N N 18 119.118 119.118 119.235 -0.117 25062 3108 1 5 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.042 0.058 25062 3109 1 5 . 1 1 18 18 LEU C C 18 178.233 178.233 178.833 -0.600 25062 3110 1 5 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.718 0.089 25062 3111 1 5 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.532 -0.661 25062 3112 1 5 . 1 1 18 18 LEU H H 18 8.554 8.554 8.125 0.429 25062 3113 1 5 . 1 1 19 19 ARG N N 19 122.158 122.158 119.787 2.371 25062 3114 1 5 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.001 -0.186 25062 3115 1 5 . 1 1 19 19 ARG C C 19 178.686 178.686 178.302 0.384 25062 3116 1 5 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.893 1.023 25062 3117 1 5 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.767 -0.428 25062 3118 1 5 . 1 1 19 19 ARG H H 19 8.274 8.274 7.675 0.599 25062 3119 1 5 . 1 1 20 20 LYS N N 20 118.130 118.130 118.263 -0.133 25062 3120 1 5 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.002 -0.067 25062 3121 1 5 . 1 1 20 20 LYS C C 20 179.078 179.078 179.211 -0.133 25062 3122 1 5 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.585 0.168 25062 3123 1 5 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.139 0.301 25062 3124 1 5 . 1 1 20 20 LYS H H 20 7.977 7.977 7.783 0.194 25062 3125 1 5 . 1 1 21 21 GLU N N 21 120.451 120.451 118.897 1.554 25062 3126 1 5 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.115 -0.060 25062 3127 1 5 . 1 1 21 21 GLU C C 21 178.995 178.995 179.206 -0.211 25062 3128 1 5 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.008 0.095 25062 3129 1 5 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.244 -0.081 25062 3130 1 5 . 1 1 21 21 GLU H H 21 7.813 7.813 7.511 0.302 25062 3131 1 5 . 1 1 22 22 VAL N N 22 119.654 119.654 119.824 -0.170 25062 3132 1 5 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.677 -0.237 25062 3133 1 5 . 1 1 22 22 VAL C C 22 176.428 176.428 178.243 -1.815 25062 3134 1 5 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.150 -0.029 25062 3135 1 5 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.433 0.019 25062 3136 1 5 . 1 1 22 22 VAL H H 22 8.146 8.146 7.896 0.250 25062 3137 1 5 . 1 1 23 23 GLN N N 23 116.884 116.884 117.713 -0.829 25062 3138 1 5 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.083 -0.131 25062 3139 1 5 . 1 1 23 23 GLN C C 23 177.429 177.429 177.397 0.032 25062 3140 1 5 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.315 0.452 25062 3141 1 5 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.725 -0.174 25062 3142 1 5 . 1 1 23 23 GLN H H 23 7.588 7.588 7.750 -0.162 25062 3143 1 5 . 1 1 24 24 LYS N N 24 116.529 116.529 116.514 0.015 25062 3144 1 5 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.139 -0.143 25062 3145 1 5 . 1 1 24 24 LYS C C 24 177.508 177.508 178.412 -0.904 25062 3146 1 5 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.147 0.267 25062 3147 1 5 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.730 0.188 25062 3148 1 5 . 1 1 24 24 LYS H H 24 7.544 7.544 7.711 -0.167 25062 3149 1 5 . 1 1 25 25 HIS N N 25 119.657 119.657 118.179 1.478 25062 3150 1 5 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.373 -0.120 25062 3151 1 5 . 1 1 25 25 HIS C C 25 175.915 175.915 174.679 1.236 25062 3152 1 5 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.695 0.747 25062 3153 1 5 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.084 0.787 25062 3154 1 5 . 1 1 25 25 HIS H H 25 7.809 7.809 8.044 -0.235 25062 3155 1 5 . 1 1 26 26 ASP N N 26 113.221 113.221 115.459 -2.238 25062 3156 1 5 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.974 -0.239 25062 3157 1 5 . 1 1 26 26 ASP C C 26 173.856 173.856 174.637 -0.781 25062 3158 1 5 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.909 -0.239 25062 3159 1 5 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.204 0.162 25062 3160 1 5 . 1 1 26 26 ASP H H 26 8.358 8.358 8.254 0.104 25062 3161 1 5 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.529 0.037 25062 3162 1 5 . 1 1 27 27 PRO C C 27 176.845 176.845 176.799 0.046 25062 3163 1 5 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.964 -0.087 25062 3164 1 5 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.365 -0.081 25062 3165 1 5 . 1 1 28 28 ASN N N 28 115.529 115.529 116.378 -0.849 25062 3166 1 5 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.603 0.069 25062 3167 1 5 . 1 1 28 28 ASN C C 28 175.632 175.632 175.413 0.219 25062 3168 1 5 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.288 -0.473 25062 3169 1 5 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.178 -0.084 25062 3170 1 5 . 1 1 28 28 ASN H H 28 8.570 8.570 7.874 0.696 25062 3171 1 5 . 1 1 29 29 VAL N N 29 121.867 121.867 121.429 0.438 25062 3172 1 5 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.944 -0.060 25062 3173 1 5 . 1 1 29 29 VAL C C 29 175.085 175.085 175.748 -0.663 25062 3174 1 5 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.578 -0.403 25062 3175 1 5 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.681 0.317 25062 3176 1 5 . 1 1 29 29 VAL H H 29 7.465 7.465 7.395 0.070 25062 3177 1 5 . 1 1 30 30 LYS N N 30 130.242 130.242 128.531 1.711 25062 3178 1 5 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.423 0.011 25062 3179 1 5 . 1 1 30 30 LYS C C 30 175.093 175.093 176.020 -0.927 25062 3180 1 5 . 1 1 30 30 LYS CA C 30 55.373 55.373 54.892 0.481 25062 3181 1 5 . 1 1 30 30 LYS CB C 30 32.427 32.427 31.908 0.519 25062 3182 1 5 . 1 1 30 30 LYS H H 30 9.036 9.036 8.081 0.955 25062 3183 1 5 . 1 1 31 31 THR N N 31 113.173 113.173 116.418 -3.245 25062 3184 1 5 . 1 1 31 31 THR HA H 31 5.688 5.688 5.184 0.504 25062 3185 1 5 . 1 1 31 31 THR C C 31 174.708 174.708 174.150 0.558 25062 3186 1 5 . 1 1 31 31 THR CA C 31 58.537 58.537 60.386 -1.849 25062 3187 1 5 . 1 1 31 31 THR CB C 31 71.419 71.419 70.125 1.294 25062 3188 1 5 . 1 1 31 31 THR H H 31 8.185 8.185 8.455 -0.270 25062 3189 1 5 . 1 1 32 32 VAL N N 32 122.168 122.168 125.256 -3.088 25062 3190 1 5 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.704 0.191 25062 3191 1 5 . 1 1 32 32 VAL C C 32 173.388 173.388 174.090 -0.702 25062 3192 1 5 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.923 -0.190 25062 3193 1 5 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.567 -0.663 25062 3194 1 5 . 1 1 32 32 VAL H H 32 8.968 8.968 8.855 0.113 25062 3195 1 5 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.093 -0.119 25062 3196 1 5 . 1 1 33 33 PRO C C 33 177.848 177.848 178.377 -0.529 25062 3197 1 5 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.017 0.325 25062 3198 1 5 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.688 0.334 25062 3199 1 5 . 1 1 34 34 THR N N 34 114.266 114.266 110.353 3.913 25062 3200 1 5 . 1 1 34 34 THR HA H 34 4.118 4.118 4.017 0.101 25062 3201 1 5 . 1 1 34 34 THR C C 34 176.879 176.879 176.349 0.530 25062 3202 1 5 . 1 1 34 34 THR CA C 34 64.607 64.607 64.892 -0.285 25062 3203 1 5 . 1 1 34 34 THR CB C 34 68.311 68.311 68.326 -0.015 25062 3204 1 5 . 1 1 34 34 THR H H 34 9.033 9.033 8.741 0.292 25062 3205 1 5 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.175 0.070 25062 3206 1 5 . 1 1 35 35 LYS C C 35 176.639 176.639 177.247 -0.608 25062 3207 1 5 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.864 -0.730 25062 3208 1 5 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.175 0.128 25062 3209 1 5 . 1 1 36 36 ASP N N 36 120.993 120.993 118.336 2.657 25062 3210 1 5 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.857 0.158 25062 3211 1 5 . 1 1 36 36 ASP C C 36 176.202 176.202 175.327 0.875 25062 3212 1 5 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.778 -0.342 25062 3213 1 5 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.541 0.569 25062 3214 1 5 . 1 1 36 36 ASP H H 36 7.726 7.726 7.847 -0.121 25062 3215 1 5 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.932 0.056 25062 3216 1 5 . 1 1 37 37 LYS C C 37 177.948 177.948 178.400 -0.452 25062 3217 1 5 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.789 -0.481 25062 3218 1 5 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.463 0.385 25062 3219 1 5 . 1 1 38 38 GLU N N 38 119.141 119.141 118.113 1.028 25062 3220 1 5 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.177 0.073 25062 3221 1 5 . 1 1 38 38 GLU C C 38 178.054 178.054 178.303 -0.249 25062 3222 1 5 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.136 -0.634 25062 3223 1 5 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.214 -0.007 25062 3224 1 5 . 1 1 38 38 GLU H H 38 8.883 8.883 8.693 0.190 25062 3225 1 5 . 1 1 39 39 LYS N N 39 118.440 118.440 119.465 -1.025 25062 3226 1 5 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.184 0.323 25062 3227 1 5 . 1 1 39 39 LYS C C 39 177.126 177.126 178.438 -1.312 25062 3228 1 5 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.761 -1.454 25062 3229 1 5 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.996 0.428 25062 3230 1 5 . 1 1 39 39 LYS H H 39 8.064 8.064 7.367 0.697 25062 3231 1 5 . 1 1 40 40 VAL N N 40 118.130 118.130 121.196 -3.066 25062 3232 1 5 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.500 -0.105 25062 3233 1 5 . 1 1 40 40 VAL C C 40 176.934 176.934 177.068 -0.134 25062 3234 1 5 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.743 0.878 25062 3235 1 5 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.277 0.378 25062 3236 1 5 . 1 1 40 40 VAL H H 40 7.308 7.308 7.880 -0.572 25062 3237 1 5 . 1 1 41 41 LYS N N 41 118.555 118.555 118.703 -0.148 25062 3238 1 5 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.756 -0.113 25062 3239 1 5 . 1 1 41 41 LYS C C 41 178.363 178.363 178.578 -0.215 25062 3240 1 5 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.677 1.610 25062 3241 1 5 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.920 -0.466 25062 3242 1 5 . 1 1 41 41 LYS H H 41 8.150 8.150 7.824 0.326 25062 3243 1 5 . 1 1 42 42 GLU N N 42 119.454 119.454 117.653 1.801 25062 3244 1 5 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.165 -0.067 25062 3245 1 5 . 1 1 42 42 GLU C C 42 179.552 179.552 178.801 0.751 25062 3246 1 5 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.640 0.616 25062 3247 1 5 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.157 0.437 25062 3248 1 5 . 1 1 42 42 GLU H H 42 8.067 8.067 7.629 0.438 25062 3249 1 5 . 1 1 43 43 GLU N N 43 118.427 118.427 119.731 -1.304 25062 3250 1 5 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.133 0.162 25062 3251 1 5 . 1 1 43 43 GLU C C 43 180.076 180.076 179.235 0.841 25062 3252 1 5 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.556 -0.101 25062 3253 1 5 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.202 -0.557 25062 3254 1 5 . 1 1 43 43 GLU H H 43 8.189 8.189 7.695 0.494 25062 3255 1 5 . 1 1 44 44 ILE N N 44 122.905 122.905 120.211 2.694 25062 3256 1 5 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.694 -0.059 25062 3257 1 5 . 1 1 44 44 ILE C C 44 176.828 176.828 177.711 -0.883 25062 3258 1 5 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.040 0.357 25062 3259 1 5 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.770 -0.231 25062 3260 1 5 . 1 1 44 44 ILE H H 44 8.734 8.734 8.287 0.447 25062 3261 1 5 . 1 1 45 45 GLU N N 45 120.098 120.098 119.941 0.157 25062 3262 1 5 . 1 1 45 45 GLU HA H 45 4.139 4.139 3.902 0.237 25062 3263 1 5 . 1 1 45 45 GLU C C 45 178.930 178.930 178.797 0.133 25062 3264 1 5 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.902 -0.413 25062 3265 1 5 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.307 -0.159 25062 3266 1 5 . 1 1 45 45 GLU H H 45 8.099 8.099 8.188 -0.089 25062 3267 1 5 . 1 1 46 46 LYS N N 46 118.360 118.360 118.317 0.043 25062 3268 1 5 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.086 -0.077 25062 3269 1 5 . 1 1 46 46 LYS C C 46 178.775 178.775 178.967 -0.192 25062 3270 1 5 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.382 1.520 25062 3271 1 5 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.625 1.077 25062 3272 1 5 . 1 1 46 46 LYS H H 46 7.854 7.854 7.485 0.369 25062 3273 1 5 . 1 1 47 47 ALA N N 47 122.551 122.551 122.172 0.379 25062 3274 1 5 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.019 0.109 25062 3275 1 5 . 1 1 47 47 ALA C C 47 180.095 180.095 179.514 0.581 25062 3276 1 5 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.038 0.365 25062 3277 1 5 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.364 -0.659 25062 3278 1 5 . 1 1 47 47 ALA H H 47 8.135 8.135 7.894 0.241 25062 3279 1 5 . 1 1 48 48 ARG N N 48 118.945 118.945 117.667 1.278 25062 3280 1 5 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.936 0.121 25062 3281 1 5 . 1 1 48 48 ARG C C 48 179.960 179.960 178.950 1.010 25062 3282 1 5 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.331 -0.044 25062 3283 1 5 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.124 -0.672 25062 3284 1 5 . 1 1 48 48 ARG H H 48 8.655 8.655 7.871 0.784 25062 3285 1 5 . 1 1 49 49 LYS N N 49 119.557 119.557 119.095 0.462 25062 3286 1 5 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.112 -0.055 25062 3287 1 5 . 1 1 49 49 LYS C C 49 178.288 178.288 178.851 -0.563 25062 3288 1 5 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.491 0.479 25062 3289 1 5 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.229 0.424 25062 3290 1 5 . 1 1 49 49 LYS H H 49 8.058 8.058 7.696 0.362 25062 3291 1 5 . 1 1 50 50 GLN N N 50 115.215 115.215 114.932 0.283 25062 3292 1 5 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.393 -0.016 25062 3293 1 5 . 1 1 50 50 GLN C C 50 176.439 176.439 176.490 -0.051 25062 3294 1 5 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.623 0.350 25062 3295 1 5 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.370 0.438 25062 3296 1 5 . 1 1 50 50 GLN H H 50 7.938 7.938 7.792 0.146 25062 3297 1 5 . 1 1 51 51 GLY N N 51 109.413 109.413 107.757 1.656 25062 3298 1 5 . 1 1 51 51 GLY C C 51 174.570 174.570 174.087 0.483 25062 3299 1 5 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.672 0.923 25062 3300 1 5 . 1 1 51 51 GLY H H 51 8.070 8.070 7.678 0.392 25062 3301 1 5 . 1 1 52 52 ARG N N 52 119.414 119.414 118.533 0.881 25062 3302 1 5 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.856 0.046 25062 3303 1 5 . 1 1 52 52 ARG C C 52 173.093 173.093 174.156 -1.063 25062 3304 1 5 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.703 0.274 25062 3305 1 5 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.082 0.328 25062 3306 1 5 . 1 1 52 52 ARG H H 52 7.950 7.950 7.718 0.232 25062 3307 1 5 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.866 0.208 25062 3308 1 5 . 1 1 53 53 PRO C C 53 174.179 174.179 175.731 -1.552 25062 3309 1 5 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.629 -0.652 25062 3310 1 5 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.899 -0.365 25062 3311 1 5 . 1 1 54 54 ILE N N 54 115.161 115.161 119.436 -4.275 25062 3312 1 5 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.793 0.165 25062 3313 1 5 . 1 1 54 54 ILE C C 54 172.097 172.097 173.619 -1.522 25062 3314 1 5 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.388 -0.615 25062 3315 1 5 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.355 0.380 25062 3316 1 5 . 1 1 54 54 ILE H H 54 7.718 7.718 8.310 -0.592 25062 3317 1 5 . 1 1 55 55 VAL N N 55 126.019 126.019 129.340 -3.321 25062 3318 1 5 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.188 0.692 25062 3319 1 5 . 1 1 55 55 VAL C C 55 173.844 173.844 174.536 -0.692 25062 3320 1 5 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.191 -0.898 25062 3321 1 5 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.314 1.954 25062 3322 1 5 . 1 1 55 55 VAL H H 55 8.352 8.352 8.527 -0.175 25062 3323 1 5 . 1 1 56 56 VAL N N 56 127.584 127.584 127.238 0.346 25062 3324 1 5 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.573 -0.132 25062 3325 1 5 . 1 1 56 56 VAL C C 56 173.968 173.968 174.881 -0.913 25062 3326 1 5 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.239 -0.696 25062 3327 1 5 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.980 1.400 25062 3328 1 5 . 1 1 56 56 VAL H H 56 9.291 9.291 8.648 0.643 25062 3329 1 5 . 1 1 57 57 PHE N N 57 125.432 125.432 126.330 -0.898 25062 3330 1 5 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.141 -0.211 25062 3331 1 5 . 1 1 57 57 PHE C C 57 174.987 174.987 175.474 -0.487 25062 3332 1 5 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.418 1.790 25062 3333 1 5 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.994 -0.108 25062 3334 1 5 . 1 1 57 57 PHE H H 57 8.585 8.585 8.613 -0.028 25062 3335 1 5 . 1 1 58 58 VAL N N 58 123.763 123.763 123.990 -0.227 25062 3336 1 5 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.392 -0.190 25062 3337 1 5 . 1 1 58 58 VAL C C 58 174.791 174.791 175.352 -0.561 25062 3338 1 5 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.342 0.539 25062 3339 1 5 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.963 -0.251 25062 3340 1 5 . 1 1 58 58 VAL H H 58 9.008 9.008 8.591 0.417 25062 3341 1 5 . 1 1 59 59 ARG N N 59 127.924 127.924 125.679 2.245 25062 3342 1 5 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.394 0.188 25062 3343 1 5 . 1 1 59 59 ARG C C 59 177.755 177.755 176.884 0.871 25062 3344 1 5 . 1 1 59 59 ARG CA C 59 56.538 56.538 56.095 0.443 25062 3345 1 5 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.553 -1.040 25062 3346 1 5 . 1 1 59 59 ARG H H 59 8.820 8.820 8.763 0.057 25062 3347 1 5 . 1 1 60 60 GLY N N 60 110.441 110.441 112.317 -1.876 25062 3348 1 5 . 1 1 60 60 GLY C C 60 174.818 174.818 173.998 0.820 25062 3349 1 5 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.073 0.915 25062 3350 1 5 . 1 1 60 60 GLY H H 60 8.200 8.200 8.377 -0.177 25062 3351 1 5 . 1 1 61 61 GLY N N 61 109.411 109.411 114.921 -5.510 25062 3352 1 5 . 1 1 61 61 GLY C C 61 174.550 174.550 174.750 -0.200 25062 3353 1 5 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.711 -0.280 25062 3354 1 5 . 1 1 61 61 GLY H H 61 7.995 7.995 8.061 -0.066 25062 3355 1 5 . 1 1 62 62 ASP N N 62 122.920 122.920 124.886 -1.966 25062 3356 1 5 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.698 0.323 25062 3357 1 5 . 1 1 62 62 ASP C C 62 176.247 176.247 175.045 1.202 25062 3358 1 5 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.227 -1.700 25062 3359 1 5 . 1 1 62 62 ASP CB C 62 39.815 39.815 39.404 0.411 25062 3360 1 5 . 1 1 62 62 ASP H H 62 8.090 8.090 8.136 -0.046 25062 3361 1 5 . 1 1 63 63 ASP N N 63 121.058 121.058 121.155 -0.097 25062 3362 1 5 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.331 -0.065 25062 3363 1 5 . 1 1 63 63 ASP C C 63 178.418 178.418 177.508 0.910 25062 3364 1 5 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.358 -0.018 25062 3365 1 5 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.457 0.115 25062 3366 1 5 . 1 1 63 63 ASP H H 63 8.023 8.023 7.956 0.067 25062 3367 1 5 . 1 1 64 64 GLU N N 64 119.564 119.564 118.720 0.844 25062 3368 1 5 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.978 0.073 25062 3369 1 5 . 1 1 64 64 GLU C C 64 178.321 178.321 178.770 -0.449 25062 3370 1 5 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.152 0.230 25062 3371 1 5 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.504 -0.460 25062 3372 1 5 . 1 1 64 64 GLU H H 64 8.760 8.760 8.732 0.028 25062 3373 1 5 . 1 1 65 65 ARG N N 65 119.839 119.839 119.133 0.706 25062 3374 1 5 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.090 0.106 25062 3375 1 5 . 1 1 65 65 ARG C C 65 178.305 178.305 178.375 -0.070 25062 3376 1 5 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.403 0.649 25062 3377 1 5 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.217 1.420 25062 3378 1 5 . 1 1 65 65 ARG H H 65 7.643 7.643 7.529 0.114 25062 3379 1 5 . 1 1 66 66 ALA N N 66 118.984 118.984 121.989 -3.005 25062 3380 1 5 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.033 -0.167 25062 3381 1 5 . 1 1 66 66 ALA C C 66 178.638 178.638 179.337 -0.699 25062 3382 1 5 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.222 0.244 25062 3383 1 5 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.306 0.055 25062 3384 1 5 . 1 1 66 66 ALA H H 66 7.782 7.782 7.595 0.187 25062 3385 1 5 . 1 1 67 67 LYS N N 67 117.711 117.711 117.452 0.259 25062 3386 1 5 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.043 -0.024 25062 3387 1 5 . 1 1 67 67 LYS C C 67 178.363 178.363 178.914 -0.551 25062 3388 1 5 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.303 0.270 25062 3389 1 5 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.253 -0.029 25062 3390 1 5 . 1 1 67 67 LYS H H 67 8.010 8.010 7.701 0.309 25062 3391 1 5 . 1 1 68 68 ASP N N 68 119.581 119.581 121.162 -1.581 25062 3392 1 5 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.530 -0.116 25062 3393 1 5 . 1 1 68 68 ASP C C 68 179.235 179.235 178.634 0.601 25062 3394 1 5 . 1 1 68 68 ASP CA C 68 57.494 57.494 58.579 -1.085 25062 3395 1 5 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.938 0.449 25062 3396 1 5 . 1 1 68 68 ASP H H 68 7.999 7.999 8.053 -0.054 25062 3397 1 5 . 1 1 69 69 ILE N N 69 119.307 119.307 120.194 -0.887 25062 3398 1 5 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.664 -0.071 25062 3399 1 5 . 1 1 69 69 ILE C C 69 176.927 176.927 177.685 -0.758 25062 3400 1 5 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.004 0.222 25062 3401 1 5 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.779 0.083 25062 3402 1 5 . 1 1 69 69 ILE H H 69 8.283 8.283 7.607 0.676 25062 3403 1 5 . 1 1 70 70 ALA N N 70 121.395 121.395 122.054 -0.659 25062 3404 1 5 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.706 0.026 25062 3405 1 5 . 1 1 70 70 ALA C C 70 178.770 178.770 178.935 -0.165 25062 3406 1 5 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.026 0.515 25062 3407 1 5 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.216 0.928 25062 3408 1 5 . 1 1 70 70 ALA H H 70 8.200 8.200 7.803 0.397 25062 3409 1 5 . 1 1 71 71 GLU N N 71 116.210 116.210 120.055 -3.845 25062 3410 1 5 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.173 -0.027 25062 3411 1 5 . 1 1 71 71 GLU C C 71 179.215 179.215 178.786 0.429 25062 3412 1 5 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.223 0.210 25062 3413 1 5 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.845 -0.261 25062 3414 1 5 . 1 1 71 71 GLU H H 71 8.402 8.402 7.849 0.553 25062 3415 1 5 . 1 1 72 72 TYR N N 72 121.372 121.372 120.495 0.877 25062 3416 1 5 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.127 0.075 25062 3417 1 5 . 1 1 72 72 TYR C C 72 176.699 176.699 177.163 -0.464 25062 3418 1 5 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.624 -0.318 25062 3419 1 5 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.484 -0.245 25062 3420 1 5 . 1 1 72 72 TYR H H 72 8.031 8.031 7.923 0.108 25062 3421 1 5 . 1 1 73 73 ALA N N 73 119.994 119.994 120.468 -0.474 25062 3422 1 5 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.768 -0.157 25062 3423 1 5 . 1 1 73 73 ALA C C 73 178.786 178.786 179.180 -0.394 25062 3424 1 5 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.385 -0.213 25062 3425 1 5 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.066 0.435 25062 3426 1 5 . 1 1 73 73 ALA H H 73 8.588 8.588 8.260 0.328 25062 3427 1 5 . 1 1 74 74 GLN N N 74 116.775 116.775 119.064 -2.289 25062 3428 1 5 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.271 0.036 25062 3429 1 5 . 1 1 74 74 GLN C C 74 180.672 180.672 178.852 1.820 25062 3430 1 5 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.595 0.581 25062 3431 1 5 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.860 0.338 25062 3432 1 5 . 1 1 74 74 GLN H H 74 8.382 8.382 8.153 0.229 25062 3433 1 5 . 1 1 75 75 LYS N N 75 122.969 122.969 118.837 4.132 25062 3434 1 5 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.103 -0.047 25062 3435 1 5 . 1 1 75 75 LYS C C 75 178.547 178.547 177.918 0.629 25062 3436 1 5 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.217 1.010 25062 3437 1 5 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.336 -0.573 25062 3438 1 5 . 1 1 75 75 LYS H H 75 8.248 8.248 7.614 0.634 25062 3439 1 5 . 1 1 76 76 GLU N N 76 117.058 117.058 115.832 1.226 25062 3440 1 5 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.216 -0.121 25062 3441 1 5 . 1 1 76 76 GLU C C 76 176.070 176.070 176.216 -0.146 25062 3442 1 5 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.898 -0.040 25062 3443 1 5 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.835 -0.038 25062 3444 1 5 . 1 1 76 76 GLU H H 76 7.522 7.522 7.680 -0.158 25062 3445 1 5 . 1 1 77 77 GLY N N 77 106.537 106.537 107.079 -0.542 25062 3446 1 5 . 1 1 77 77 GLY C C 77 174.570 174.570 174.275 0.295 25062 3447 1 5 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.699 -0.220 25062 3448 1 5 . 1 1 77 77 GLY H H 77 7.797 7.797 7.548 0.249 25062 3449 1 5 . 1 1 78 78 LEU N N 78 121.257 121.257 117.840 3.417 25062 3450 1 5 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.571 -0.165 25062 3451 1 5 . 1 1 78 78 LEU C C 78 176.139 176.139 176.751 -0.612 25062 3452 1 5 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.130 1.174 25062 3453 1 5 . 1 1 78 78 LEU CB C 78 42.112 42.112 44.149 -2.037 25062 3454 1 5 . 1 1 78 78 LEU H H 78 8.008 8.008 7.445 0.563 25062 3455 1 5 . 1 1 79 79 ARG N N 79 121.135 121.135 120.634 0.501 25062 3456 1 5 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.535 -0.131 25062 3457 1 5 . 1 1 79 79 ARG C C 79 174.598 174.598 175.041 -0.443 25062 3458 1 5 . 1 1 79 79 ARG CA C 79 55.884 55.884 54.736 1.148 25062 3459 1 5 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.832 0.534 25062 3460 1 5 . 1 1 79 79 ARG H H 79 8.062 8.062 8.417 -0.355 25062 3461 1 5 . 1 1 80 80 VAL N N 80 123.517 123.517 125.013 -1.496 25062 3462 1 5 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.864 -0.099 25062 3463 1 5 . 1 1 80 80 VAL C C 80 175.373 175.373 175.065 0.308 25062 3464 1 5 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.766 -0.129 25062 3465 1 5 . 1 1 80 80 VAL CB C 80 34.003 34.003 33.450 0.553 25062 3466 1 5 . 1 1 80 80 VAL H H 80 8.377 8.377 8.705 -0.328 25062 3467 1 5 . 1 1 81 81 ILE N N 81 129.083 129.083 129.484 -0.401 25062 3468 1 5 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.947 -0.064 25062 3469 1 5 . 1 1 81 81 ILE C C 81 173.899 173.899 174.816 -0.917 25062 3470 1 5 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.618 0.108 25062 3471 1 5 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.394 0.688 25062 3472 1 5 . 1 1 81 81 ILE H H 81 8.812 8.812 8.645 0.167 25062 3473 1 5 . 1 1 82 82 VAL N N 82 126.531 126.531 129.012 -2.481 25062 3474 1 5 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.584 0.403 25062 3475 1 5 . 1 1 82 82 VAL C C 82 174.164 174.164 175.052 -0.888 25062 3476 1 5 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.694 -1.371 25062 3477 1 5 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.753 1.664 25062 3478 1 5 . 1 1 82 82 VAL H H 82 9.085 9.085 8.345 0.740 25062 3479 1 5 . 1 1 83 83 ILE N N 83 127.143 127.143 129.032 -1.889 25062 3480 1 5 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.867 0.037 25062 3481 1 5 . 1 1 83 83 ILE C C 83 174.044 174.044 175.352 -1.308 25062 3482 1 5 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.320 -0.304 25062 3483 1 5 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.396 0.420 25062 3484 1 5 . 1 1 83 83 ILE H H 83 9.391 9.391 8.639 0.752 25062 3485 1 5 . 1 1 84 84 ILE N N 84 126.750 126.750 128.208 -1.458 25062 3486 1 5 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.689 -0.243 25062 3487 1 5 . 1 1 84 84 ILE C C 84 174.788 174.788 175.841 -1.053 25062 3488 1 5 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.556 0.496 25062 3489 1 5 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.274 0.758 25062 3490 1 5 . 1 1 84 84 ILE H H 84 8.714 8.714 8.840 -0.126 25062 3491 1 5 . 1 1 85 85 VAL N N 85 127.160 127.160 130.153 -2.993 25062 3492 1 5 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.799 0.180 25062 3493 1 5 . 1 1 85 85 VAL C C 85 176.539 176.539 174.818 1.721 25062 3494 1 5 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.393 -1.331 25062 3495 1 5 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.109 -0.235 25062 3496 1 5 . 1 1 85 85 VAL H H 85 8.464 8.464 9.120 -0.656 25062 3497 1 5 . 1 1 86 86 SER N N 86 121.723 121.723 121.849 -0.126 25062 3498 1 5 . 1 1 86 86 SER HA H 86 4.490 4.490 4.887 -0.397 25062 3499 1 5 . 1 1 86 86 SER C C 86 172.447 172.447 173.035 -0.588 25062 3500 1 5 . 1 1 86 86 SER CA C 86 58.131 58.131 57.460 0.671 25062 3501 1 5 . 1 1 86 86 SER CB C 86 64.121 64.121 67.208 -3.087 25062 3502 1 5 . 1 1 86 86 SER H H 86 8.725 8.725 9.047 -0.322 25062 3503 1 5 . 1 1 87 87 GLN N N 87 121.657 121.657 121.975 -0.318 25062 3504 1 5 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.310 0.259 25062 3505 1 5 . 1 1 87 87 GLN C C 87 175.732 175.732 174.248 1.484 25062 3506 1 5 . 1 1 87 87 GLN CA C 87 56.426 56.426 55.454 0.972 25062 3507 1 5 . 1 1 87 87 GLN CB C 87 29.119 29.119 27.581 1.538 25062 3508 1 5 . 1 1 87 87 GLN H H 87 8.516 8.516 8.751 -0.235 25062 3509 1 5 . 1 1 88 88 ASP N N 88 121.146 121.146 120.273 0.873 25062 3510 1 5 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.691 0.009 25062 3511 1 5 . 1 1 88 88 ASP C C 88 175.752 175.752 175.252 0.500 25062 3512 1 5 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.668 -0.589 25062 3513 1 5 . 1 1 88 88 ASP CB C 88 41.203 41.203 44.071 -2.868 25062 3514 1 5 . 1 1 88 88 ASP H H 88 8.459 8.459 7.646 0.813 25062 3515 1 5 . 1 1 89 89 GLU N N 89 125.736 125.736 124.741 0.995 25062 3516 1 5 . 1 1 89 89 GLU HA H 89 3.934 3.934 4.045 -0.111 25062 3517 1 5 . 1 1 89 89 GLU C C 89 178.820 178.820 178.254 0.566 25062 3518 1 5 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.436 0.108 25062 3519 1 5 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.835 -0.208 25062 3520 1 5 . 1 1 89 89 GLU H H 89 8.840 8.840 8.966 -0.126 25062 3521 1 5 . 1 1 90 90 GLU N N 90 119.813 119.813 120.094 -0.281 25062 3522 1 5 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.180 0.056 25062 3523 1 5 . 1 1 90 90 GLU C C 90 178.385 178.385 178.739 -0.354 25062 3524 1 5 . 1 1 90 90 GLU CA C 90 58.807 58.807 58.649 0.158 25062 3525 1 5 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.512 -0.335 25062 3526 1 5 . 1 1 90 90 GLU H H 90 8.300 8.300 7.990 0.310 25062 3527 1 5 . 1 1 91 91 ALA N N 91 123.211 123.211 122.951 0.260 25062 3528 1 5 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.177 -0.046 25062 3529 1 5 . 1 1 91 91 ALA C C 91 181.895 181.895 179.885 2.010 25062 3530 1 5 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.942 -0.242 25062 3531 1 5 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.392 -0.510 25062 3532 1 5 . 1 1 91 91 ALA H H 91 7.670 7.670 8.124 -0.454 25062 3533 1 5 . 1 1 92 92 LEU N N 92 118.903 118.903 119.035 -0.132 25062 3534 1 5 . 1 1 92 92 LEU HA H 92 4.005 4.005 4.001 0.004 25062 3535 1 5 . 1 1 92 92 LEU C C 92 177.951 177.951 178.901 -0.950 25062 3536 1 5 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.614 0.336 25062 3537 1 5 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.731 0.451 25062 3538 1 5 . 1 1 92 92 LEU H H 92 8.190 8.190 7.900 0.290 25062 3539 1 5 . 1 1 93 93 ARG N N 93 118.916 118.916 119.339 -0.423 25062 3540 1 5 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.026 0.072 25062 3541 1 5 . 1 1 93 93 ARG C C 93 178.775 178.775 178.419 0.356 25062 3542 1 5 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.845 -0.503 25062 3543 1 5 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.138 0.007 25062 3544 1 5 . 1 1 93 93 ARG H H 93 7.868 7.868 8.192 -0.324 25062 3545 1 5 . 1 1 94 94 LYS N N 94 118.989 118.989 118.262 0.727 25062 3546 1 5 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.080 -0.023 25062 3547 1 5 . 1 1 94 94 LYS C C 94 179.270 179.270 179.089 0.181 25062 3548 1 5 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.581 -0.346 25062 3549 1 5 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.183 0.251 25062 3550 1 5 . 1 1 94 94 LYS H H 94 8.236 8.236 8.097 0.139 25062 3551 1 5 . 1 1 95 95 GLY N N 95 107.084 107.084 106.390 0.694 25062 3552 1 5 . 1 1 95 95 GLY C C 95 175.285 175.285 175.936 -0.651 25062 3553 1 5 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.767 0.278 25062 3554 1 5 . 1 1 95 95 GLY H H 95 8.296 8.296 7.845 0.451 25062 3555 1 5 . 1 1 96 96 TYR N N 96 121.591 121.591 124.413 -2.822 25062 3556 1 5 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.130 -0.084 25062 3557 1 5 . 1 1 96 96 TYR C C 96 176.428 176.428 177.127 -0.699 25062 3558 1 5 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.544 -0.100 25062 3559 1 5 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.590 0.000 25062 3560 1 5 . 1 1 96 96 TYR H H 96 8.372 8.372 8.013 0.359 25062 3561 1 5 . 1 1 97 97 GLU N N 97 117.883 117.883 117.343 0.540 25062 3562 1 5 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.740 0.091 25062 3563 1 5 . 1 1 97 97 GLU C C 97 178.775 178.775 178.949 -0.174 25062 3564 1 5 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.739 0.510 25062 3565 1 5 . 1 1 97 97 GLU CB C 97 29.542 29.542 28.807 0.735 25062 3566 1 5 . 1 1 97 97 GLU H H 97 8.205 8.205 8.375 -0.170 25062 3567 1 5 . 1 1 98 98 ASP N N 98 117.644 117.644 120.540 -2.896 25062 3568 1 5 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.353 -0.008 25062 3569 1 5 . 1 1 98 98 ASP C C 98 177.978 177.978 178.169 -0.191 25062 3570 1 5 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.011 0.102 25062 3571 1 5 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.040 0.951 25062 3572 1 5 . 1 1 98 98 ASP H H 98 8.139 8.139 7.895 0.244 25062 3573 1 5 . 1 1 99 99 LYS N N 99 116.691 116.691 118.355 -1.664 25062 3574 1 5 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.157 -0.133 25062 3575 1 5 . 1 1 99 99 LYS C C 99 178.061 178.061 178.878 -0.817 25062 3576 1 5 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.315 -0.309 25062 3577 1 5 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.508 -0.132 25062 3578 1 5 . 1 1 99 99 LYS H H 99 7.886 7.886 7.737 0.149 25062 3579 1 5 . 1 1 100 100 LYS N N 100 120.645 120.645 120.355 0.290 25062 3580 1 5 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.248 -0.174 25062 3581 1 5 . 1 1 100 100 LYS C C 100 180.486 180.486 178.381 2.105 25062 3582 1 5 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.850 -0.667 25062 3583 1 5 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.150 -0.784 25062 3584 1 5 . 1 1 100 100 LYS H H 100 8.395 8.395 7.848 0.547 25062 3585 1 5 . 1 1 101 101 LYS N N 101 119.297 119.297 118.849 0.448 25062 3586 1 5 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.018 0.064 25062 3587 1 5 . 1 1 101 101 LYS C C 101 177.669 177.669 178.218 -0.549 25062 3588 1 5 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.568 -0.102 25062 3589 1 5 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.373 -0.128 25062 3590 1 5 . 1 1 101 101 LYS H H 101 7.713 7.713 7.651 0.062 25062 3591 1 5 . 1 1 102 102 LYS N N 102 116.847 116.847 115.983 0.864 25062 3592 1 5 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.089 0.004 25062 3593 1 5 . 1 1 102 102 LYS C C 102 176.357 176.357 176.102 0.255 25062 3594 1 5 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.937 -0.147 25062 3595 1 5 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.389 -0.386 25062 3596 1 5 . 1 1 102 102 LYS H H 102 7.124 7.124 7.253 -0.129 25062 3597 1 5 . 1 1 103 103 GLY N N 103 105.781 105.781 105.498 0.283 25062 3598 1 5 . 1 1 103 103 GLY C C 103 174.378 174.378 174.560 -0.182 25062 3599 1 5 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.855 0.200 25062 3600 1 5 . 1 1 103 103 GLY H H 103 7.771 7.771 7.171 0.600 25062 3601 1 5 . 1 1 104 104 TYR N N 104 119.257 119.257 118.973 0.284 25062 3602 1 5 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.666 0.272 25062 3603 1 5 . 1 1 104 104 TYR C C 104 175.223 175.223 174.990 0.233 25062 3604 1 5 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.094 -0.643 25062 3605 1 5 . 1 1 104 104 TYR CB C 104 37.745 37.745 38.414 -0.669 25062 3606 1 5 . 1 1 104 104 TYR H H 104 6.914 6.914 7.629 -0.715 25062 3607 1 5 . 1 1 105 105 ASP N N 105 122.574 122.574 125.136 -2.562 25062 3608 1 5 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.591 0.190 25062 3609 1 5 . 1 1 105 105 ASP C C 105 174.818 174.818 175.057 -0.239 25062 3610 1 5 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.667 -0.452 25062 3611 1 5 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.381 0.420 25062 3612 1 5 . 1 1 105 105 ASP H H 105 8.223 8.223 8.615 -0.392 25062 3613 1 5 . 1 1 106 106 VAL N N 106 121.990 121.990 125.471 -3.481 25062 3614 1 5 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.887 0.370 25062 3615 1 5 . 1 1 106 106 VAL C C 106 173.835 173.835 175.676 -1.841 25062 3616 1 5 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.371 -1.329 25062 3617 1 5 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.128 1.251 25062 3618 1 5 . 1 1 106 106 VAL H H 106 7.876 7.876 7.889 -0.013 25062 3619 1 5 . 1 1 107 107 TYR N N 107 125.444 125.444 127.138 -1.694 25062 3620 1 5 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.893 0.114 25062 3621 1 5 . 1 1 107 107 TYR C C 107 174.765 174.765 175.136 -0.371 25062 3622 1 5 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.997 -0.932 25062 3623 1 5 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.882 0.007 25062 3624 1 5 . 1 1 107 107 TYR H H 107 9.400 9.400 9.137 0.263 25062 3625 1 5 . 1 1 108 108 THR N N 108 111.100 111.100 114.054 -2.954 25062 3626 1 5 . 1 1 108 108 THR HA H 108 5.212 5.212 4.982 0.230 25062 3627 1 5 . 1 1 108 108 THR C C 108 174.350 174.350 173.748 0.602 25062 3628 1 5 . 1 1 108 108 THR CA C 108 59.514 59.514 60.044 -0.530 25062 3629 1 5 . 1 1 108 108 THR CB C 108 70.911 70.911 70.394 0.517 25062 3630 1 5 . 1 1 108 108 THR H H 108 8.801 8.801 8.369 0.432 25062 3631 1 5 . 1 1 109 109 SER N N 109 114.650 114.650 119.219 -4.569 25062 3632 1 5 . 1 1 109 109 SER HA H 109 4.901 4.901 5.093 -0.192 25062 3633 1 5 . 1 1 109 109 SER C C 109 172.399 172.399 174.152 -1.753 25062 3634 1 5 . 1 1 109 109 SER CA C 109 57.974 57.974 56.907 1.067 25062 3635 1 5 . 1 1 109 109 SER CB C 109 67.764 67.764 66.892 0.872 25062 3636 1 5 . 1 1 109 109 SER H H 109 8.565 8.565 8.575 -0.010 25062 3637 1 5 . 1 1 110 110 ARG N N 110 119.807 119.807 122.895 -3.088 25062 3638 1 5 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.404 0.605 25062 3639 1 5 . 1 1 110 110 ARG C C 110 175.995 175.995 175.128 0.867 25062 3640 1 5 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.779 -1.770 25062 3641 1 5 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.722 1.095 25062 3642 1 5 . 1 1 110 110 ARG H H 110 8.948 8.948 8.871 0.076 25062 3643 1 5 . 1 1 111 111 ASN N N 111 110.690 110.690 111.259 -0.569 25062 3644 1 5 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.765 -0.132 25062 3645 1 5 . 1 1 111 111 ASN C C 111 174.460 174.460 174.696 -0.236 25062 3646 1 5 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.230 -0.860 25062 3647 1 5 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.565 -0.448 25062 3648 1 5 . 1 1 111 111 ASN H H 111 7.426 7.426 7.368 0.058 25062 3649 1 5 . 1 1 112 112 GLU N N 112 119.451 119.451 120.366 -0.915 25062 3650 1 5 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.990 -0.182 25062 3651 1 5 . 1 1 112 112 GLU C C 112 176.445 176.445 177.421 -0.976 25062 3652 1 5 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.238 -0.045 25062 3653 1 5 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.331 1.274 25062 3654 1 5 . 1 1 112 112 GLU H H 112 9.529 9.529 8.934 0.595 25062 3655 1 5 . 1 1 113 113 ASP N N 113 120.739 120.739 117.814 2.925 25062 3656 1 5 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.382 -0.013 25062 3657 1 5 . 1 1 113 113 ASP C C 113 179.043 179.043 178.891 0.152 25062 3658 1 5 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.649 0.456 25062 3659 1 5 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.076 0.871 25062 3660 1 5 . 1 1 113 113 ASP H H 113 8.256 8.256 8.710 -0.454 25062 3661 1 5 . 1 1 114 114 GLU N N 114 119.817 119.817 119.787 0.030 25062 3662 1 5 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.150 -0.100 25062 3663 1 5 . 1 1 114 114 GLU C C 114 178.770 178.770 178.536 0.234 25062 3664 1 5 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.695 0.545 25062 3665 1 5 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.539 1.117 25062 3666 1 5 . 1 1 114 114 GLU H H 114 8.577 8.577 7.711 0.866 25062 3667 1 5 . 1 1 115 115 ALA N N 115 121.470 121.470 122.265 -0.795 25062 3668 1 5 . 1 1 115 115 ALA HA H 115 4.055 4.055 3.979 0.076 25062 3669 1 5 . 1 1 115 115 ALA C C 115 178.962 178.962 179.124 -0.162 25062 3670 1 5 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.230 -0.017 25062 3671 1 5 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.280 1.577 25062 3672 1 5 . 1 1 115 115 ALA H H 115 8.358 8.358 8.134 0.224 25062 3673 1 5 . 1 1 116 116 LYS N N 116 117.285 117.285 117.915 -0.630 25062 3674 1 5 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.993 -0.335 25062 3675 1 5 . 1 1 116 116 LYS C C 116 178.583 178.583 178.740 -0.157 25062 3676 1 5 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.719 1.198 25062 3677 1 5 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.302 0.509 25062 3678 1 5 . 1 1 116 116 LYS H H 116 8.350 8.350 8.120 0.230 25062 3679 1 5 . 1 1 117 117 LYS N N 117 118.433 118.433 118.683 -0.250 25062 3680 1 5 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.043 -0.057 25062 3681 1 5 . 1 1 117 117 LYS C C 117 179.380 179.380 179.042 0.338 25062 3682 1 5 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.262 0.343 25062 3683 1 5 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.378 0.004 25062 3684 1 5 . 1 1 117 117 LYS H H 117 7.345 7.345 7.503 -0.158 25062 3685 1 5 . 1 1 118 118 LYS N N 118 118.166 118.166 119.052 -0.886 25062 3686 1 5 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.909 0.030 25062 3687 1 5 . 1 1 118 118 LYS C C 118 178.088 178.088 178.874 -0.786 25062 3688 1 5 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.007 -0.451 25062 3689 1 5 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.942 -0.802 25062 3690 1 5 . 1 1 118 118 LYS H H 118 8.130 8.130 7.831 0.299 25062 3691 1 5 . 1 1 119 119 LEU N N 119 120.654 120.654 120.669 -0.015 25062 3692 1 5 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.928 -0.144 25062 3693 1 5 . 1 1 119 119 LEU C C 119 177.567 177.567 177.948 -0.381 25062 3694 1 5 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.623 0.291 25062 3695 1 5 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.890 0.284 25062 3696 1 5 . 1 1 119 119 LEU H H 119 8.592 8.592 8.005 0.587 25062 3697 1 5 . 1 1 120 120 LYS N N 120 118.314 118.314 118.425 -0.111 25062 3698 1 5 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.702 -0.157 25062 3699 1 5 . 1 1 120 120 LYS C C 120 178.624 178.624 178.765 -0.141 25062 3700 1 5 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.508 0.782 25062 3701 1 5 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.886 -0.122 25062 3702 1 5 . 1 1 120 120 LYS H H 120 7.753 7.753 7.391 0.362 25062 3703 1 5 . 1 1 121 121 GLU N N 121 118.446 118.446 118.599 -0.153 25062 3704 1 5 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.132 -0.126 25062 3705 1 5 . 1 1 121 121 GLU C C 121 178.744 178.744 178.632 0.112 25062 3706 1 5 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.210 0.329 25062 3707 1 5 . 1 1 121 121 GLU CB C 121 29.363 29.363 28.858 0.505 25062 3708 1 5 . 1 1 121 121 GLU H H 121 7.777 7.777 7.716 0.061 25062 3709 1 5 . 1 1 122 122 ALA N N 122 121.333 121.333 121.178 0.155 25062 3710 1 5 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.163 -0.207 25062 3711 1 5 . 1 1 122 122 ALA C C 122 179.973 179.973 179.792 0.181 25062 3712 1 5 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.617 0.343 25062 3713 1 5 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.345 0.083 25062 3714 1 5 . 1 1 122 122 ALA H H 122 8.229 8.229 7.373 0.856 25062 3715 1 5 . 1 1 123 123 LEU N N 123 118.790 118.790 119.481 -0.691 25062 3716 1 5 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.966 -0.186 25062 3717 1 5 . 1 1 123 123 LEU C C 123 179.703 179.703 179.214 0.489 25062 3718 1 5 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.558 0.331 25062 3719 1 5 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.591 -0.739 25062 3720 1 5 . 1 1 123 123 LEU H H 123 8.177 8.177 7.684 0.493 25062 3721 1 5 . 1 1 124 124 GLU N N 124 120.881 120.881 118.593 2.288 25062 3722 1 5 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.073 0.071 25062 3723 1 5 . 1 1 124 124 GLU C C 124 179.732 179.732 179.197 0.535 25062 3724 1 5 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.164 0.275 25062 3725 1 5 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.470 0.050 25062 3726 1 5 . 1 1 124 124 GLU H H 124 8.393 8.393 8.192 0.201 25062 3727 1 5 . 1 1 125 125 LYS N N 125 119.526 119.526 118.845 0.681 25062 3728 1 5 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.151 0.108 25062 3729 1 5 . 1 1 125 125 LYS C C 125 177.862 177.862 178.690 -0.828 25062 3730 1 5 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.694 -0.749 25062 3731 1 5 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.586 -0.229 25062 3732 1 5 . 1 1 125 125 LYS H H 125 8.290 8.290 7.584 0.706 25062 3733 1 5 . 1 1 126 126 SER N N 126 114.103 114.103 111.851 2.252 25062 3734 1 5 . 1 1 126 126 SER HA H 126 4.385 4.385 4.461 -0.076 25062 3735 1 5 . 1 1 126 126 SER C C 126 174.460 174.460 175.277 -0.817 25062 3736 1 5 . 1 1 126 126 SER CA C 126 59.611 59.611 59.608 0.003 25062 3737 1 5 . 1 1 126 126 SER CB C 126 63.479 63.479 64.799 -1.320 25062 3738 1 5 . 1 1 126 126 SER H H 126 7.702 7.702 7.738 -0.036 25062 3739 1 5 . 1 1 127 127 GLY N N 127 108.584 108.584 109.938 -1.354 25062 3740 1 5 . 1 1 127 127 GLY C C 127 174.103 174.103 175.140 -1.037 25062 3741 1 5 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.957 0.480 25062 3742 1 5 . 1 1 127 127 GLY H H 127 7.933 7.933 7.606 0.327 25062 3743 1 5 . 1 1 128 128 SER N N 128 115.990 115.990 120.016 -4.026 25062 3744 1 5 . 1 1 128 128 SER HA H 128 4.590 4.590 4.516 0.074 25062 3745 1 5 . 1 1 128 128 SER C C 128 174.412 174.412 173.444 0.968 25062 3746 1 5 . 1 1 128 128 SER CA C 128 57.986 57.986 59.415 -1.429 25062 3747 1 5 . 1 1 128 128 SER CB C 128 63.336 63.336 62.154 1.182 25062 3748 1 5 . 1 1 128 128 SER H H 128 8.091 8.091 8.225 -0.134 25062 3749 1 5 . 1 1 129 129 LEU N N 129 125.492 125.492 124.529 0.963 25062 3750 1 5 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.677 -0.236 25062 3751 1 5 . 1 1 129 129 LEU C C 129 177.084 177.084 176.826 0.258 25062 3752 1 5 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.397 0.479 25062 3753 1 5 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.147 -0.838 25062 3754 1 5 . 1 1 129 129 LEU H H 129 8.262 8.262 7.647 0.615 25062 3755 1 5 . 1 1 130 130 GLU N N 130 121.006 121.006 124.507 -3.501 25062 3756 1 5 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.462 -0.487 25062 3757 1 5 . 1 1 130 130 GLU C C 130 176.435 176.435 175.929 0.506 25062 3758 1 5 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.629 1.183 25062 3759 1 5 . 1 1 130 130 GLU CB C 130 30.279 30.279 31.154 -0.875 25062 3760 1 5 . 1 1 130 130 GLU H H 130 8.398 8.398 8.686 -0.288 25062 3761 1 5 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.881 -0.290 25062 3762 1 5 . 1 1 131 131 HIS C C 131 174.179 174.179 174.155 0.024 25062 3763 1 5 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.637 0.512 25062 3764 1 5 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.164 0.667 25062 3765 1 5 . 1 1 132 132 HIS N N 132 125.794 125.794 121.086 4.708 25062 3766 1 5 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.339 0.077 25062 3767 1 5 . 1 1 132 132 HIS C C 132 179.523 179.523 176.299 3.224 25062 3768 1 5 . 1 1 132 132 HIS CA C 132 57.516 57.516 57.759 -0.243 25062 3769 1 5 . 1 1 132 132 HIS CB C 132 31.008 31.008 30.238 0.770 25062 3770 1 5 . 1 1 132 132 HIS H H 132 7.935 7.935 8.062 -0.127 25062 3771 1 6 . 1 1 2 2 GLY N N 2 109.342 109.342 108.987 0.355 25062 3772 1 6 . 1 1 2 2 GLY C C 2 172.736 172.736 172.908 -0.172 25062 3773 1 6 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.335 1.321 25062 3774 1 6 . 1 1 2 2 GLY H H 2 8.632 8.632 8.500 0.132 25062 3775 1 6 . 1 1 3 3 VAL N N 3 123.457 123.457 119.361 4.096 25062 3776 1 6 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.656 0.325 25062 3777 1 6 . 1 1 3 3 VAL C C 3 173.780 173.780 174.609 -0.829 25062 3778 1 6 . 1 1 3 3 VAL CA C 3 60.350 60.350 60.950 -0.600 25062 3779 1 6 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.686 0.427 25062 3780 1 6 . 1 1 3 3 VAL H H 3 7.516 7.516 7.722 -0.206 25062 3781 1 6 . 1 1 4 4 VAL N N 4 125.375 125.375 126.435 -1.060 25062 3782 1 6 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.770 -0.239 25062 3783 1 6 . 1 1 4 4 VAL C C 4 173.185 173.185 174.987 -1.802 25062 3784 1 6 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.821 -0.320 25062 3785 1 6 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.418 0.377 25062 3786 1 6 . 1 1 4 4 VAL H H 4 8.810 8.810 8.754 0.056 25062 3787 1 6 . 1 1 5 5 ILE N N 5 127.180 127.180 128.662 -1.482 25062 3788 1 6 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.583 0.286 25062 3789 1 6 . 1 1 5 5 ILE C C 5 174.303 174.303 175.128 -0.825 25062 3790 1 6 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.352 -0.943 25062 3791 1 6 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.362 0.281 25062 3792 1 6 . 1 1 5 5 ILE H H 5 8.800 8.800 8.719 0.081 25062 3793 1 6 . 1 1 6 6 LEU N N 6 129.025 129.025 129.865 -0.840 25062 3794 1 6 . 1 1 6 6 LEU HA H 6 5.013 5.013 5.009 0.004 25062 3795 1 6 . 1 1 6 6 LEU C C 6 174.847 174.847 176.115 -1.268 25062 3796 1 6 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.671 -0.203 25062 3797 1 6 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.160 2.133 25062 3798 1 6 . 1 1 6 6 LEU H H 6 9.424 9.424 8.939 0.485 25062 3799 1 6 . 1 1 7 7 VAL N N 7 123.364 123.364 126.564 -3.200 25062 3800 1 6 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.500 0.157 25062 3801 1 6 . 1 1 7 7 VAL C C 7 174.210 174.210 175.492 -1.282 25062 3802 1 6 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.568 -0.741 25062 3803 1 6 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.071 0.182 25062 3804 1 6 . 1 1 7 7 VAL H H 7 8.653 8.653 8.461 0.192 25062 3805 1 6 . 1 1 8 8 LEU N N 8 130.560 130.560 131.248 -0.688 25062 3806 1 6 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.960 0.336 25062 3807 1 6 . 1 1 8 8 LEU C C 8 175.744 175.744 176.597 -0.853 25062 3808 1 6 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.420 -0.534 25062 3809 1 6 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.468 1.028 25062 3810 1 6 . 1 1 8 8 LEU H H 8 9.069 9.069 8.846 0.223 25062 3811 1 6 . 1 1 9 9 THR N N 9 112.810 112.810 113.922 -1.112 25062 3812 1 6 . 1 1 9 9 THR HA H 9 4.959 4.959 4.882 0.077 25062 3813 1 6 . 1 1 9 9 THR C C 9 174.213 174.213 175.804 -1.591 25062 3814 1 6 . 1 1 9 9 THR CA C 9 59.948 59.948 59.641 0.307 25062 3815 1 6 . 1 1 9 9 THR CB C 9 70.756 70.756 71.344 -0.588 25062 3816 1 6 . 1 1 9 9 THR H H 9 8.028 8.028 8.700 -0.672 25062 3817 1 6 . 1 1 10 10 GLY N N 10 107.740 107.740 110.463 -2.723 25062 3818 1 6 . 1 1 10 10 GLY C C 10 173.064 173.064 173.631 -0.567 25062 3819 1 6 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.853 -0.423 25062 3820 1 6 . 1 1 10 10 GLY H H 10 7.827 7.827 8.888 -1.061 25062 3821 1 6 . 1 1 11 11 ASP N N 11 119.119 119.119 117.991 1.128 25062 3822 1 6 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.722 0.131 25062 3823 1 6 . 1 1 11 11 ASP C C 11 176.118 176.118 175.516 0.602 25062 3824 1 6 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.233 0.739 25062 3825 1 6 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.451 -0.210 25062 3826 1 6 . 1 1 11 11 ASP H H 11 7.642 7.642 7.393 0.249 25062 3827 1 6 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.027 0.073 25062 3828 1 6 . 1 1 12 12 GLU C C 12 178.508 178.508 177.837 0.671 25062 3829 1 6 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.032 -0.569 25062 3830 1 6 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.868 -0.535 25062 3831 1 6 . 1 1 13 13 ARG N N 13 121.589 121.589 118.941 2.648 25062 3832 1 6 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.153 -0.016 25062 3833 1 6 . 1 1 13 13 ARG C C 13 179.625 179.625 178.602 1.023 25062 3834 1 6 . 1 1 13 13 ARG CA C 13 59.418 59.418 57.809 1.609 25062 3835 1 6 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.960 -0.605 25062 3836 1 6 . 1 1 13 13 ARG H H 13 8.593 8.593 7.795 0.798 25062 3837 1 6 . 1 1 14 14 ILE N N 14 119.911 119.911 120.081 -0.170 25062 3838 1 6 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.981 -0.331 25062 3839 1 6 . 1 1 14 14 ILE C C 14 177.727 177.727 177.423 0.304 25062 3840 1 6 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.755 0.402 25062 3841 1 6 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.507 -0.168 25062 3842 1 6 . 1 1 14 14 ILE H H 14 7.823 7.823 7.960 -0.137 25062 3843 1 6 . 1 1 15 15 ALA N N 15 121.015 121.015 121.056 -0.041 25062 3844 1 6 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.636 0.083 25062 3845 1 6 . 1 1 15 15 ALA C C 15 178.994 178.994 178.777 0.217 25062 3846 1 6 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.230 0.659 25062 3847 1 6 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.661 0.190 25062 3848 1 6 . 1 1 15 15 ALA H H 15 7.610 7.610 7.709 -0.099 25062 3849 1 6 . 1 1 16 16 GLU N N 16 117.655 117.655 118.674 -1.019 25062 3850 1 6 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.805 0.329 25062 3851 1 6 . 1 1 16 16 GLU C C 16 178.517 178.517 178.639 -0.122 25062 3852 1 6 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.243 -0.964 25062 3853 1 6 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.309 -0.087 25062 3854 1 6 . 1 1 16 16 GLU H H 16 7.808 7.808 7.543 0.265 25062 3855 1 6 . 1 1 17 17 GLU N N 17 119.648 119.648 119.706 -0.058 25062 3856 1 6 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.006 0.048 25062 3857 1 6 . 1 1 17 17 GLU C C 17 180.213 180.213 179.470 0.743 25062 3858 1 6 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.088 0.146 25062 3859 1 6 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.561 -0.409 25062 3860 1 6 . 1 1 17 17 GLU H H 17 8.002 8.002 7.577 0.425 25062 3861 1 6 . 1 1 18 18 LEU N N 18 119.118 119.118 119.138 -0.020 25062 3862 1 6 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.006 0.094 25062 3863 1 6 . 1 1 18 18 LEU C C 18 178.233 178.233 178.660 -0.427 25062 3864 1 6 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.891 -0.085 25062 3865 1 6 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.681 -0.810 25062 3866 1 6 . 1 1 18 18 LEU H H 18 8.554 8.554 8.071 0.483 25062 3867 1 6 . 1 1 19 19 ARG N N 19 122.158 122.158 119.805 2.353 25062 3868 1 6 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.114 -0.299 25062 3869 1 6 . 1 1 19 19 ARG C C 19 178.686 178.686 178.451 0.235 25062 3870 1 6 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.819 1.097 25062 3871 1 6 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.887 -0.548 25062 3872 1 6 . 1 1 19 19 ARG H H 19 8.274 8.274 7.527 0.747 25062 3873 1 6 . 1 1 20 20 LYS N N 20 118.130 118.130 117.522 0.608 25062 3874 1 6 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.273 -0.338 25062 3875 1 6 . 1 1 20 20 LYS C C 20 179.078 179.078 179.153 -0.075 25062 3876 1 6 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.447 0.306 25062 3877 1 6 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.145 0.294 25062 3878 1 6 . 1 1 20 20 LYS H H 20 7.977 7.977 7.951 0.026 25062 3879 1 6 . 1 1 21 21 GLU N N 21 120.451 120.451 119.280 1.171 25062 3880 1 6 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.200 -0.145 25062 3881 1 6 . 1 1 21 21 GLU C C 21 178.995 178.995 178.837 0.158 25062 3882 1 6 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.902 0.201 25062 3883 1 6 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.258 -0.095 25062 3884 1 6 . 1 1 21 21 GLU H H 21 7.813 7.813 7.408 0.405 25062 3885 1 6 . 1 1 22 22 VAL N N 22 119.654 119.654 119.889 -0.235 25062 3886 1 6 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.651 -0.211 25062 3887 1 6 . 1 1 22 22 VAL C C 22 176.428 176.428 178.472 -2.044 25062 3888 1 6 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.820 0.301 25062 3889 1 6 . 1 1 22 22 VAL CB C 22 31.452 31.452 30.932 0.520 25062 3890 1 6 . 1 1 22 22 VAL H H 22 8.146 8.146 8.236 -0.090 25062 3891 1 6 . 1 1 23 23 GLN N N 23 116.884 116.884 117.858 -0.974 25062 3892 1 6 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.289 -0.337 25062 3893 1 6 . 1 1 23 23 GLN C C 23 177.429 177.429 178.233 -0.804 25062 3894 1 6 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.765 0.002 25062 3895 1 6 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.674 -0.123 25062 3896 1 6 . 1 1 23 23 GLN H H 23 7.588 7.588 7.756 -0.168 25062 3897 1 6 . 1 1 24 24 LYS N N 24 116.529 116.529 117.874 -1.345 25062 3898 1 6 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.116 -0.120 25062 3899 1 6 . 1 1 24 24 LYS C C 24 177.508 177.508 178.215 -0.707 25062 3900 1 6 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.740 -0.326 25062 3901 1 6 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.441 0.476 25062 3902 1 6 . 1 1 24 24 LYS H H 24 7.544 7.544 7.431 0.113 25062 3903 1 6 . 1 1 25 25 HIS N N 25 119.657 119.657 117.817 1.840 25062 3904 1 6 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.379 -0.126 25062 3905 1 6 . 1 1 25 25 HIS C C 25 175.915 175.915 174.225 1.690 25062 3906 1 6 . 1 1 25 25 HIS CA C 25 59.442 59.442 59.206 0.236 25062 3907 1 6 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.430 0.440 25062 3908 1 6 . 1 1 25 25 HIS H H 25 7.809 7.809 8.055 -0.246 25062 3909 1 6 . 1 1 26 26 ASP N N 26 113.221 113.221 114.330 -1.109 25062 3910 1 6 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.120 -0.385 25062 3911 1 6 . 1 1 26 26 ASP C C 26 173.856 173.856 174.332 -0.476 25062 3912 1 6 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.367 0.303 25062 3913 1 6 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.934 -1.568 25062 3914 1 6 . 1 1 26 26 ASP H H 26 8.358 8.358 8.167 0.191 25062 3915 1 6 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.715 -0.149 25062 3916 1 6 . 1 1 27 27 PRO C C 27 176.845 176.845 176.737 0.108 25062 3917 1 6 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.627 0.251 25062 3918 1 6 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.622 -0.337 25062 3919 1 6 . 1 1 28 28 ASN N N 28 115.529 115.529 116.830 -1.301 25062 3920 1 6 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.681 -0.009 25062 3921 1 6 . 1 1 28 28 ASN C C 28 175.632 175.632 176.008 -0.376 25062 3922 1 6 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.117 -0.302 25062 3923 1 6 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.172 -0.078 25062 3924 1 6 . 1 1 28 28 ASN H H 28 8.570 8.570 8.099 0.471 25062 3925 1 6 . 1 1 29 29 VAL N N 29 121.867 121.867 121.690 0.177 25062 3926 1 6 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.999 -0.115 25062 3927 1 6 . 1 1 29 29 VAL C C 29 175.085 175.085 175.424 -0.339 25062 3928 1 6 . 1 1 29 29 VAL CA C 29 63.175 63.175 64.130 -0.955 25062 3929 1 6 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.767 0.231 25062 3930 1 6 . 1 1 29 29 VAL H H 29 7.465 7.465 7.842 -0.377 25062 3931 1 6 . 1 1 30 30 LYS N N 30 130.242 130.242 127.096 3.146 25062 3932 1 6 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.699 -0.265 25062 3933 1 6 . 1 1 30 30 LYS C C 30 175.093 175.093 175.236 -0.143 25062 3934 1 6 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.217 0.156 25062 3935 1 6 . 1 1 30 30 LYS CB C 30 32.427 32.427 35.614 -3.187 25062 3936 1 6 . 1 1 30 30 LYS H H 30 9.036 9.036 8.311 0.725 25062 3937 1 6 . 1 1 31 31 THR N N 31 113.173 113.173 113.237 -0.064 25062 3938 1 6 . 1 1 31 31 THR HA H 31 5.688 5.688 5.187 0.501 25062 3939 1 6 . 1 1 31 31 THR C C 31 174.708 174.708 174.148 0.560 25062 3940 1 6 . 1 1 31 31 THR CA C 31 58.537 58.537 60.354 -1.817 25062 3941 1 6 . 1 1 31 31 THR CB C 31 71.419 71.419 71.481 -0.062 25062 3942 1 6 . 1 1 31 31 THR H H 31 8.185 8.185 8.181 0.004 25062 3943 1 6 . 1 1 32 32 VAL N N 32 122.168 122.168 122.842 -0.674 25062 3944 1 6 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.691 0.204 25062 3945 1 6 . 1 1 32 32 VAL C C 32 173.388 173.388 174.035 -0.647 25062 3946 1 6 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.160 -0.426 25062 3947 1 6 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.464 -0.560 25062 3948 1 6 . 1 1 32 32 VAL H H 32 8.968 8.968 8.623 0.345 25062 3949 1 6 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.747 0.227 25062 3950 1 6 . 1 1 33 33 PRO C C 33 177.848 177.848 177.875 -0.027 25062 3951 1 6 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.743 -0.401 25062 3952 1 6 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.509 0.512 25062 3953 1 6 . 1 1 34 34 THR N N 34 114.266 114.266 111.627 2.639 25062 3954 1 6 . 1 1 34 34 THR HA H 34 4.118 4.118 4.029 0.089 25062 3955 1 6 . 1 1 34 34 THR C C 34 176.879 176.879 176.168 0.711 25062 3956 1 6 . 1 1 34 34 THR CA C 34 64.607 64.607 65.519 -0.912 25062 3957 1 6 . 1 1 34 34 THR CB C 34 68.311 68.311 68.938 -0.627 25062 3958 1 6 . 1 1 34 34 THR H H 34 9.033 9.033 8.852 0.181 25062 3959 1 6 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.144 0.101 25062 3960 1 6 . 1 1 35 35 LYS C C 35 176.639 176.639 176.978 -0.339 25062 3961 1 6 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.965 0.168 25062 3962 1 6 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.138 1.165 25062 3963 1 6 . 1 1 36 36 ASP N N 36 120.993 120.993 120.956 0.037 25062 3964 1 6 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.808 0.207 25062 3965 1 6 . 1 1 36 36 ASP C C 36 176.202 176.202 175.924 0.278 25062 3966 1 6 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.852 -0.416 25062 3967 1 6 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.477 0.633 25062 3968 1 6 . 1 1 36 36 ASP H H 36 7.726 7.726 7.690 0.036 25062 3969 1 6 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.901 0.087 25062 3970 1 6 . 1 1 37 37 LYS C C 37 177.948 177.948 177.921 0.027 25062 3971 1 6 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.147 0.161 25062 3972 1 6 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.327 0.521 25062 3973 1 6 . 1 1 38 38 GLU N N 38 119.141 119.141 117.653 1.488 25062 3974 1 6 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.084 0.166 25062 3975 1 6 . 1 1 38 38 GLU C C 38 178.054 178.054 178.780 -0.726 25062 3976 1 6 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.816 -0.314 25062 3977 1 6 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.185 0.022 25062 3978 1 6 . 1 1 38 38 GLU H H 38 8.883 8.883 8.676 0.207 25062 3979 1 6 . 1 1 39 39 LYS N N 39 118.440 118.440 119.446 -1.006 25062 3980 1 6 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.090 0.417 25062 3981 1 6 . 1 1 39 39 LYS C C 39 177.126 177.126 178.166 -1.040 25062 3982 1 6 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.357 -2.050 25062 3983 1 6 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.180 0.244 25062 3984 1 6 . 1 1 39 39 LYS H H 39 8.064 8.064 7.978 0.086 25062 3985 1 6 . 1 1 40 40 VAL N N 40 118.130 118.130 119.855 -1.725 25062 3986 1 6 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.481 -0.086 25062 3987 1 6 . 1 1 40 40 VAL C C 40 176.934 176.934 177.462 -0.528 25062 3988 1 6 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.778 0.843 25062 3989 1 6 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.416 0.239 25062 3990 1 6 . 1 1 40 40 VAL H H 40 7.308 7.308 7.778 -0.470 25062 3991 1 6 . 1 1 41 41 LYS N N 41 118.555 118.555 118.716 -0.161 25062 3992 1 6 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.760 -0.117 25062 3993 1 6 . 1 1 41 41 LYS C C 41 178.363 178.363 178.481 -0.118 25062 3994 1 6 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.483 1.804 25062 3995 1 6 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.864 -0.410 25062 3996 1 6 . 1 1 41 41 LYS H H 41 8.150 8.150 8.224 -0.074 25062 3997 1 6 . 1 1 42 42 GLU N N 42 119.454 119.454 118.941 0.513 25062 3998 1 6 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.062 0.036 25062 3999 1 6 . 1 1 42 42 GLU C C 42 179.552 179.552 179.303 0.249 25062 4000 1 6 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.955 0.301 25062 4001 1 6 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.036 0.558 25062 4002 1 6 . 1 1 42 42 GLU H H 42 8.067 8.067 8.134 -0.067 25062 4003 1 6 . 1 1 43 43 GLU N N 43 118.427 118.427 119.363 -0.936 25062 4004 1 6 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.146 0.149 25062 4005 1 6 . 1 1 43 43 GLU C C 43 180.076 180.076 179.018 1.058 25062 4006 1 6 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.306 0.150 25062 4007 1 6 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.294 -0.649 25062 4008 1 6 . 1 1 43 43 GLU H H 43 8.189 8.189 7.996 0.193 25062 4009 1 6 . 1 1 44 44 ILE N N 44 122.905 122.905 120.227 2.678 25062 4010 1 6 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.665 -0.030 25062 4011 1 6 . 1 1 44 44 ILE C C 44 176.828 176.828 177.744 -0.916 25062 4012 1 6 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.682 0.715 25062 4013 1 6 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.657 -0.118 25062 4014 1 6 . 1 1 44 44 ILE H H 44 8.734 8.734 8.268 0.466 25062 4015 1 6 . 1 1 45 45 GLU N N 45 120.098 120.098 121.052 -0.954 25062 4016 1 6 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.063 0.076 25062 4017 1 6 . 1 1 45 45 GLU C C 45 178.930 178.930 178.882 0.048 25062 4018 1 6 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.756 -0.267 25062 4019 1 6 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.457 -0.309 25062 4020 1 6 . 1 1 45 45 GLU H H 45 8.099 8.099 7.831 0.268 25062 4021 1 6 . 1 1 46 46 LYS N N 46 118.360 118.360 117.377 0.983 25062 4022 1 6 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.229 -0.220 25062 4023 1 6 . 1 1 46 46 LYS C C 46 178.775 178.775 178.807 -0.032 25062 4024 1 6 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.456 1.446 25062 4025 1 6 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.857 0.845 25062 4026 1 6 . 1 1 46 46 LYS H H 46 7.854 7.854 7.568 0.286 25062 4027 1 6 . 1 1 47 47 ALA N N 47 122.551 122.551 123.600 -1.049 25062 4028 1 6 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.973 0.155 25062 4029 1 6 . 1 1 47 47 ALA C C 47 180.095 180.095 178.887 1.208 25062 4030 1 6 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.278 0.125 25062 4031 1 6 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.272 -0.567 25062 4032 1 6 . 1 1 47 47 ALA H H 47 8.135 8.135 8.014 0.121 25062 4033 1 6 . 1 1 48 48 ARG N N 48 118.945 118.945 118.664 0.281 25062 4034 1 6 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.964 0.093 25062 4035 1 6 . 1 1 48 48 ARG C C 48 179.960 179.960 178.318 1.642 25062 4036 1 6 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.382 -0.095 25062 4037 1 6 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.140 -0.688 25062 4038 1 6 . 1 1 48 48 ARG H H 48 8.655 8.655 8.304 0.351 25062 4039 1 6 . 1 1 49 49 LYS N N 49 119.557 119.557 118.010 1.547 25062 4040 1 6 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.074 -0.017 25062 4041 1 6 . 1 1 49 49 LYS C C 49 178.288 178.288 178.756 -0.468 25062 4042 1 6 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.614 0.356 25062 4043 1 6 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.202 0.451 25062 4044 1 6 . 1 1 49 49 LYS H H 49 8.058 8.058 7.520 0.538 25062 4045 1 6 . 1 1 50 50 GLN N N 50 115.215 115.215 115.404 -0.189 25062 4046 1 6 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.335 0.042 25062 4047 1 6 . 1 1 50 50 GLN C C 50 176.439 176.439 176.476 -0.037 25062 4048 1 6 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.791 0.182 25062 4049 1 6 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.484 0.324 25062 4050 1 6 . 1 1 50 50 GLN H H 50 7.938 7.938 8.057 -0.119 25062 4051 1 6 . 1 1 51 51 GLY N N 51 109.413 109.413 108.696 0.717 25062 4052 1 6 . 1 1 51 51 GLY C C 51 174.570 174.570 173.955 0.615 25062 4053 1 6 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.698 0.897 25062 4054 1 6 . 1 1 51 51 GLY H H 51 8.070 8.070 7.638 0.432 25062 4055 1 6 . 1 1 52 52 ARG N N 52 119.414 119.414 119.578 -0.164 25062 4056 1 6 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.777 0.125 25062 4057 1 6 . 1 1 52 52 ARG C C 52 173.093 173.093 174.366 -1.273 25062 4058 1 6 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.485 0.492 25062 4059 1 6 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.818 0.592 25062 4060 1 6 . 1 1 52 52 ARG H H 52 7.950 7.950 7.757 0.193 25062 4061 1 6 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.576 0.498 25062 4062 1 6 . 1 1 53 53 PRO C C 53 174.179 174.179 175.712 -1.533 25062 4063 1 6 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.937 -0.960 25062 4064 1 6 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.179 0.355 25062 4065 1 6 . 1 1 54 54 ILE N N 54 115.161 115.161 123.602 -8.441 25062 4066 1 6 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.981 -0.023 25062 4067 1 6 . 1 1 54 54 ILE C C 54 172.097 172.097 174.046 -1.949 25062 4068 1 6 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.123 -0.350 25062 4069 1 6 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.590 0.145 25062 4070 1 6 . 1 1 54 54 ILE H H 54 7.718 7.718 8.437 -0.719 25062 4071 1 6 . 1 1 55 55 VAL N N 55 126.019 126.019 130.412 -4.393 25062 4072 1 6 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.458 0.422 25062 4073 1 6 . 1 1 55 55 VAL C C 55 173.844 173.844 174.739 -0.895 25062 4074 1 6 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.130 -0.837 25062 4075 1 6 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.531 1.737 25062 4076 1 6 . 1 1 55 55 VAL H H 55 8.352 8.352 8.721 -0.369 25062 4077 1 6 . 1 1 56 56 VAL N N 56 127.584 127.584 128.337 -0.753 25062 4078 1 6 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.357 0.084 25062 4079 1 6 . 1 1 56 56 VAL C C 56 173.968 173.968 175.275 -1.307 25062 4080 1 6 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.983 -0.440 25062 4081 1 6 . 1 1 56 56 VAL CB C 56 34.380 34.380 31.438 2.942 25062 4082 1 6 . 1 1 56 56 VAL H H 56 9.291 9.291 8.340 0.951 25062 4083 1 6 . 1 1 57 57 PHE N N 57 125.432 125.432 128.633 -3.201 25062 4084 1 6 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.833 0.097 25062 4085 1 6 . 1 1 57 57 PHE C C 57 174.987 174.987 175.009 -0.022 25062 4086 1 6 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.871 0.337 25062 4087 1 6 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.155 0.731 25062 4088 1 6 . 1 1 57 57 PHE H H 57 8.585 8.585 8.632 -0.047 25062 4089 1 6 . 1 1 58 58 VAL N N 58 123.763 123.763 122.862 0.901 25062 4090 1 6 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.330 -0.128 25062 4091 1 6 . 1 1 58 58 VAL C C 58 174.791 174.791 175.187 -0.396 25062 4092 1 6 . 1 1 58 58 VAL CA C 58 60.881 60.881 59.974 0.907 25062 4093 1 6 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.300 0.412 25062 4094 1 6 . 1 1 58 58 VAL H H 58 9.008 9.008 8.390 0.618 25062 4095 1 6 . 1 1 59 59 ARG N N 59 127.924 127.924 125.525 2.399 25062 4096 1 6 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.499 0.083 25062 4097 1 6 . 1 1 59 59 ARG C C 59 177.755 177.755 177.030 0.725 25062 4098 1 6 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.813 0.725 25062 4099 1 6 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.698 -1.185 25062 4100 1 6 . 1 1 59 59 ARG H H 59 8.820 8.820 8.776 0.044 25062 4101 1 6 . 1 1 60 60 GLY N N 60 110.441 110.441 112.394 -1.953 25062 4102 1 6 . 1 1 60 60 GLY C C 60 174.818 174.818 174.002 0.816 25062 4103 1 6 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.005 0.983 25062 4104 1 6 . 1 1 60 60 GLY H H 60 8.200 8.200 8.460 -0.260 25062 4105 1 6 . 1 1 61 61 GLY N N 61 109.411 109.411 113.949 -4.538 25062 4106 1 6 . 1 1 61 61 GLY C C 61 174.550 174.550 174.498 0.052 25062 4107 1 6 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.896 -0.465 25062 4108 1 6 . 1 1 61 61 GLY H H 61 7.995 7.995 8.074 -0.079 25062 4109 1 6 . 1 1 62 62 ASP N N 62 122.920 122.920 121.703 1.217 25062 4110 1 6 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.834 0.187 25062 4111 1 6 . 1 1 62 62 ASP C C 62 176.247 176.247 176.047 0.200 25062 4112 1 6 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.666 -1.139 25062 4113 1 6 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.547 -0.732 25062 4114 1 6 . 1 1 62 62 ASP H H 62 8.090 8.090 7.976 0.114 25062 4115 1 6 . 1 1 63 63 ASP N N 63 121.058 121.058 120.397 0.661 25062 4116 1 6 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.310 -0.044 25062 4117 1 6 . 1 1 63 63 ASP C C 63 178.418 178.418 177.976 0.442 25062 4118 1 6 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.183 0.158 25062 4119 1 6 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.069 0.503 25062 4120 1 6 . 1 1 63 63 ASP H H 63 8.023 8.023 8.437 -0.414 25062 4121 1 6 . 1 1 64 64 GLU N N 64 119.564 119.564 119.817 -0.253 25062 4122 1 6 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.033 0.018 25062 4123 1 6 . 1 1 64 64 GLU C C 64 178.321 178.321 178.860 -0.539 25062 4124 1 6 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.147 0.235 25062 4125 1 6 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.544 -0.500 25062 4126 1 6 . 1 1 64 64 GLU H H 64 8.760 8.760 8.505 0.255 25062 4127 1 6 . 1 1 65 65 ARG N N 65 119.839 119.839 118.059 1.780 25062 4128 1 6 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.338 -0.142 25062 4129 1 6 . 1 1 65 65 ARG C C 65 178.305 178.305 178.475 -0.170 25062 4130 1 6 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.577 0.475 25062 4131 1 6 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.260 0.377 25062 4132 1 6 . 1 1 65 65 ARG H H 65 7.643 7.643 7.424 0.219 25062 4133 1 6 . 1 1 66 66 ALA N N 66 118.984 118.984 122.257 -3.273 25062 4134 1 6 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.061 -0.195 25062 4135 1 6 . 1 1 66 66 ALA C C 66 178.638 178.638 178.975 -0.337 25062 4136 1 6 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.133 0.333 25062 4137 1 6 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.125 0.236 25062 4138 1 6 . 1 1 66 66 ALA H H 66 7.782 7.782 8.032 -0.250 25062 4139 1 6 . 1 1 67 67 LYS N N 67 117.711 117.711 117.169 0.542 25062 4140 1 6 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.020 -0.001 25062 4141 1 6 . 1 1 67 67 LYS C C 67 178.363 178.363 178.313 0.050 25062 4142 1 6 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.456 0.117 25062 4143 1 6 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.044 0.180 25062 4144 1 6 . 1 1 67 67 LYS H H 67 8.010 8.010 7.773 0.237 25062 4145 1 6 . 1 1 68 68 ASP N N 68 119.581 119.581 120.804 -1.223 25062 4146 1 6 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.486 -0.072 25062 4147 1 6 . 1 1 68 68 ASP C C 68 179.235 179.235 178.634 0.601 25062 4148 1 6 . 1 1 68 68 ASP CA C 68 57.494 57.494 58.132 -0.638 25062 4149 1 6 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.761 0.626 25062 4150 1 6 . 1 1 68 68 ASP H H 68 7.999 7.999 7.513 0.486 25062 4151 1 6 . 1 1 69 69 ILE N N 69 119.307 119.307 120.175 -0.868 25062 4152 1 6 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.702 -0.109 25062 4153 1 6 . 1 1 69 69 ILE C C 69 176.927 176.927 177.741 -0.814 25062 4154 1 6 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.072 0.154 25062 4155 1 6 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.665 0.198 25062 4156 1 6 . 1 1 69 69 ILE H H 69 8.283 8.283 7.546 0.737 25062 4157 1 6 . 1 1 70 70 ALA N N 70 121.395 121.395 121.938 -0.543 25062 4158 1 6 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.660 0.072 25062 4159 1 6 . 1 1 70 70 ALA C C 70 178.770 178.770 179.123 -0.353 25062 4160 1 6 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.131 0.410 25062 4161 1 6 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.345 0.799 25062 4162 1 6 . 1 1 70 70 ALA H H 70 8.200 8.200 7.927 0.273 25062 4163 1 6 . 1 1 71 71 GLU N N 71 116.210 116.210 119.883 -3.673 25062 4164 1 6 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.230 -0.084 25062 4165 1 6 . 1 1 71 71 GLU C C 71 179.215 179.215 178.824 0.391 25062 4166 1 6 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.179 0.253 25062 4167 1 6 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.915 -0.331 25062 4168 1 6 . 1 1 71 71 GLU H H 71 8.402 8.402 7.936 0.466 25062 4169 1 6 . 1 1 72 72 TYR N N 72 121.372 121.372 120.520 0.852 25062 4170 1 6 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.148 0.054 25062 4171 1 6 . 1 1 72 72 TYR C C 72 176.699 176.699 177.218 -0.519 25062 4172 1 6 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.474 -0.168 25062 4173 1 6 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.403 -0.164 25062 4174 1 6 . 1 1 72 72 TYR H H 72 8.031 8.031 8.072 -0.041 25062 4175 1 6 . 1 1 73 73 ALA N N 73 119.994 119.994 120.695 -0.701 25062 4176 1 6 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.793 -0.182 25062 4177 1 6 . 1 1 73 73 ALA C C 73 178.786 178.786 179.371 -0.585 25062 4178 1 6 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.294 -0.123 25062 4179 1 6 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.965 0.536 25062 4180 1 6 . 1 1 73 73 ALA H H 73 8.588 8.588 8.393 0.195 25062 4181 1 6 . 1 1 74 74 GLN N N 74 116.775 116.775 118.417 -1.642 25062 4182 1 6 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.212 0.095 25062 4183 1 6 . 1 1 74 74 GLN C C 74 180.672 180.672 178.126 2.546 25062 4184 1 6 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.436 0.740 25062 4185 1 6 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.892 0.305 25062 4186 1 6 . 1 1 74 74 GLN H H 74 8.382 8.382 7.961 0.421 25062 4187 1 6 . 1 1 75 75 LYS N N 75 122.969 122.969 119.129 3.840 25062 4188 1 6 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.060 -0.004 25062 4189 1 6 . 1 1 75 75 LYS C C 75 178.547 178.547 178.498 0.049 25062 4190 1 6 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.620 0.607 25062 4191 1 6 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.331 -0.569 25062 4192 1 6 . 1 1 75 75 LYS H H 75 8.248 8.248 7.719 0.529 25062 4193 1 6 . 1 1 76 76 GLU N N 76 117.058 117.058 115.237 1.821 25062 4194 1 6 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.211 -0.116 25062 4195 1 6 . 1 1 76 76 GLU C C 76 176.070 176.070 176.810 -0.740 25062 4196 1 6 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.922 -0.064 25062 4197 1 6 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.607 0.192 25062 4198 1 6 . 1 1 76 76 GLU H H 76 7.522 7.522 7.550 -0.028 25062 4199 1 6 . 1 1 77 77 GLY N N 77 106.537 106.537 106.814 -0.277 25062 4200 1 6 . 1 1 77 77 GLY C C 77 174.570 174.570 174.819 -0.249 25062 4201 1 6 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.283 0.196 25062 4202 1 6 . 1 1 77 77 GLY H H 77 7.797 7.797 7.566 0.231 25062 4203 1 6 . 1 1 78 78 LEU N N 78 121.257 121.257 119.947 1.310 25062 4204 1 6 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.463 -0.057 25062 4205 1 6 . 1 1 78 78 LEU C C 78 176.139 176.139 176.741 -0.602 25062 4206 1 6 . 1 1 78 78 LEU CA C 78 54.304 54.304 54.397 -0.093 25062 4207 1 6 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.473 -0.361 25062 4208 1 6 . 1 1 78 78 LEU H H 78 8.008 8.008 7.737 0.271 25062 4209 1 6 . 1 1 79 79 ARG N N 79 121.135 121.135 123.326 -2.191 25062 4210 1 6 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.308 0.096 25062 4211 1 6 . 1 1 79 79 ARG C C 79 174.598 174.598 174.959 -0.361 25062 4212 1 6 . 1 1 79 79 ARG CA C 79 55.884 55.884 54.932 0.952 25062 4213 1 6 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.044 1.323 25062 4214 1 6 . 1 1 79 79 ARG H H 79 8.062 8.062 8.069 -0.007 25062 4215 1 6 . 1 1 80 80 VAL N N 80 123.517 123.517 127.714 -4.197 25062 4216 1 6 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.779 -0.014 25062 4217 1 6 . 1 1 80 80 VAL C C 80 175.373 175.373 175.232 0.141 25062 4218 1 6 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.370 0.267 25062 4219 1 6 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.299 1.704 25062 4220 1 6 . 1 1 80 80 VAL H H 80 8.377 8.377 8.532 -0.155 25062 4221 1 6 . 1 1 81 81 ILE N N 81 129.083 129.083 129.373 -0.290 25062 4222 1 6 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.877 0.006 25062 4223 1 6 . 1 1 81 81 ILE C C 81 173.899 173.899 174.919 -1.020 25062 4224 1 6 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.813 -0.087 25062 4225 1 6 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.909 1.173 25062 4226 1 6 . 1 1 81 81 ILE H H 81 8.812 8.812 8.592 0.220 25062 4227 1 6 . 1 1 82 82 VAL N N 82 126.531 126.531 128.346 -1.815 25062 4228 1 6 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.808 0.179 25062 4229 1 6 . 1 1 82 82 VAL C C 82 174.164 174.164 175.036 -0.872 25062 4230 1 6 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.008 -0.684 25062 4231 1 6 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.395 2.022 25062 4232 1 6 . 1 1 82 82 VAL H H 82 9.085 9.085 8.507 0.578 25062 4233 1 6 . 1 1 83 83 ILE N N 83 127.143 127.143 129.328 -2.185 25062 4234 1 6 . 1 1 83 83 ILE HA H 83 4.904 4.904 5.068 -0.164 25062 4235 1 6 . 1 1 83 83 ILE C C 83 174.044 174.044 175.475 -1.431 25062 4236 1 6 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.008 0.008 25062 4237 1 6 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.640 0.176 25062 4238 1 6 . 1 1 83 83 ILE H H 83 9.391 9.391 8.924 0.467 25062 4239 1 6 . 1 1 84 84 ILE N N 84 126.750 126.750 129.268 -2.518 25062 4240 1 6 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.718 -0.272 25062 4241 1 6 . 1 1 84 84 ILE C C 84 174.788 174.788 175.702 -0.914 25062 4242 1 6 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.223 0.829 25062 4243 1 6 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.078 0.954 25062 4244 1 6 . 1 1 84 84 ILE H H 84 8.714 8.714 8.607 0.107 25062 4245 1 6 . 1 1 85 85 VAL N N 85 127.160 127.160 129.858 -2.698 25062 4246 1 6 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.902 0.077 25062 4247 1 6 . 1 1 85 85 VAL C C 85 176.539 176.539 174.820 1.719 25062 4248 1 6 . 1 1 85 85 VAL CA C 85 60.062 60.062 60.807 -0.745 25062 4249 1 6 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.506 0.368 25062 4250 1 6 . 1 1 85 85 VAL H H 85 8.464 8.464 9.129 -0.665 25062 4251 1 6 . 1 1 86 86 SER N N 86 121.723 121.723 122.353 -0.630 25062 4252 1 6 . 1 1 86 86 SER HA H 86 4.490 4.490 4.929 -0.439 25062 4253 1 6 . 1 1 86 86 SER C C 86 172.447 172.447 174.778 -2.331 25062 4254 1 6 . 1 1 86 86 SER CA C 86 58.131 58.131 57.045 1.086 25062 4255 1 6 . 1 1 86 86 SER CB C 86 64.121 64.121 66.829 -2.708 25062 4256 1 6 . 1 1 86 86 SER H H 86 8.725 8.725 8.685 0.040 25062 4257 1 6 . 1 1 87 87 GLN N N 87 121.657 121.657 122.897 -1.240 25062 4258 1 6 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.210 0.359 25062 4259 1 6 . 1 1 87 87 GLN C C 87 175.732 175.732 175.288 0.444 25062 4260 1 6 . 1 1 87 87 GLN CA C 87 56.426 56.426 58.185 -1.759 25062 4261 1 6 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.855 0.264 25062 4262 1 6 . 1 1 87 87 GLN H H 87 8.516 8.516 8.701 -0.185 25062 4263 1 6 . 1 1 88 88 ASP N N 88 121.146 121.146 120.084 1.062 25062 4264 1 6 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.719 -0.019 25062 4265 1 6 . 1 1 88 88 ASP C C 88 175.752 175.752 176.730 -0.978 25062 4266 1 6 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.560 -1.481 25062 4267 1 6 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.491 -0.288 25062 4268 1 6 . 1 1 88 88 ASP H H 88 8.459 8.459 8.250 0.209 25062 4269 1 6 . 1 1 89 89 GLU N N 89 125.736 125.736 124.060 1.676 25062 4270 1 6 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.981 -0.047 25062 4271 1 6 . 1 1 89 89 GLU C C 89 178.820 178.820 178.161 0.659 25062 4272 1 6 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.406 0.138 25062 4273 1 6 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.618 0.009 25062 4274 1 6 . 1 1 89 89 GLU H H 89 8.840 8.840 8.980 -0.140 25062 4275 1 6 . 1 1 90 90 GLU N N 90 119.813 119.813 119.597 0.216 25062 4276 1 6 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.166 0.070 25062 4277 1 6 . 1 1 90 90 GLU C C 90 178.385 178.385 178.506 -0.121 25062 4278 1 6 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.094 -0.288 25062 4279 1 6 . 1 1 90 90 GLU CB C 90 29.177 29.177 28.894 0.283 25062 4280 1 6 . 1 1 90 90 GLU H H 90 8.300 8.300 8.737 -0.437 25062 4281 1 6 . 1 1 91 91 ALA N N 91 123.211 123.211 122.311 0.900 25062 4282 1 6 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.208 -0.077 25062 4283 1 6 . 1 1 91 91 ALA C C 91 181.895 181.895 180.004 1.891 25062 4284 1 6 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.777 -0.077 25062 4285 1 6 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.148 -0.267 25062 4286 1 6 . 1 1 91 91 ALA H H 91 7.670 7.670 7.591 0.079 25062 4287 1 6 . 1 1 92 92 LEU N N 92 118.903 118.903 119.156 -0.253 25062 4288 1 6 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.977 0.028 25062 4289 1 6 . 1 1 92 92 LEU C C 92 177.951 177.951 178.817 -0.866 25062 4290 1 6 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.792 0.158 25062 4291 1 6 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.444 0.738 25062 4292 1 6 . 1 1 92 92 LEU H H 92 8.190 8.190 7.696 0.494 25062 4293 1 6 . 1 1 93 93 ARG N N 93 118.916 118.916 119.473 -0.557 25062 4294 1 6 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.026 0.072 25062 4295 1 6 . 1 1 93 93 ARG C C 93 178.775 178.775 178.485 0.290 25062 4296 1 6 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.785 -0.443 25062 4297 1 6 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.047 0.098 25062 4298 1 6 . 1 1 93 93 ARG H H 93 7.868 7.868 8.028 -0.160 25062 4299 1 6 . 1 1 94 94 LYS N N 94 118.989 118.989 118.782 0.207 25062 4300 1 6 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.067 -0.010 25062 4301 1 6 . 1 1 94 94 LYS C C 94 179.270 179.270 178.985 0.285 25062 4302 1 6 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.695 -0.460 25062 4303 1 6 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.194 0.239 25062 4304 1 6 . 1 1 94 94 LYS H H 94 8.236 8.236 8.076 0.160 25062 4305 1 6 . 1 1 95 95 GLY N N 95 107.084 107.084 106.136 0.948 25062 4306 1 6 . 1 1 95 95 GLY C C 95 175.285 175.285 176.264 -0.979 25062 4307 1 6 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.785 0.260 25062 4308 1 6 . 1 1 95 95 GLY H H 95 8.296 8.296 7.755 0.541 25062 4309 1 6 . 1 1 96 96 TYR N N 96 121.591 121.591 123.563 -1.972 25062 4310 1 6 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.189 -0.143 25062 4311 1 6 . 1 1 96 96 TYR C C 96 176.428 176.428 177.470 -1.042 25062 4312 1 6 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.793 0.651 25062 4313 1 6 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.715 -0.125 25062 4314 1 6 . 1 1 96 96 TYR H H 96 8.372 8.372 8.024 0.348 25062 4315 1 6 . 1 1 97 97 GLU N N 97 117.883 117.883 117.563 0.320 25062 4316 1 6 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.752 0.079 25062 4317 1 6 . 1 1 97 97 GLU C C 97 178.775 178.775 178.902 -0.127 25062 4318 1 6 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.916 0.333 25062 4319 1 6 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.498 0.044 25062 4320 1 6 . 1 1 97 97 GLU H H 97 8.205 8.205 7.917 0.288 25062 4321 1 6 . 1 1 98 98 ASP N N 98 117.644 117.644 120.011 -2.367 25062 4322 1 6 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.406 -0.061 25062 4323 1 6 . 1 1 98 98 ASP C C 98 177.978 177.978 178.262 -0.284 25062 4324 1 6 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.146 -0.033 25062 4325 1 6 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.009 0.982 25062 4326 1 6 . 1 1 98 98 ASP H H 98 8.139 8.139 8.128 0.011 25062 4327 1 6 . 1 1 99 99 LYS N N 99 116.691 116.691 118.482 -1.791 25062 4328 1 6 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.274 -0.250 25062 4329 1 6 . 1 1 99 99 LYS C C 99 178.061 178.061 178.755 -0.694 25062 4330 1 6 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.406 -0.400 25062 4331 1 6 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.539 -0.163 25062 4332 1 6 . 1 1 99 99 LYS H H 99 7.886 7.886 7.530 0.356 25062 4333 1 6 . 1 1 100 100 LYS N N 100 120.645 120.645 120.271 0.374 25062 4334 1 6 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.283 -0.209 25062 4335 1 6 . 1 1 100 100 LYS C C 100 180.486 180.486 178.523 1.963 25062 4336 1 6 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.817 -0.634 25062 4337 1 6 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.075 -0.709 25062 4338 1 6 . 1 1 100 100 LYS H H 100 8.395 8.395 7.557 0.838 25062 4339 1 6 . 1 1 101 101 LYS N N 101 119.297 119.297 117.762 1.535 25062 4340 1 6 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.062 0.020 25062 4341 1 6 . 1 1 101 101 LYS C C 101 177.669 177.669 177.922 -0.253 25062 4342 1 6 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.155 0.311 25062 4343 1 6 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.481 -0.236 25062 4344 1 6 . 1 1 101 101 LYS H H 101 7.713 7.713 7.392 0.321 25062 4345 1 6 . 1 1 102 102 LYS N N 102 116.847 116.847 117.478 -0.631 25062 4346 1 6 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.144 -0.051 25062 4347 1 6 . 1 1 102 102 LYS C C 102 176.357 176.357 176.248 0.109 25062 4348 1 6 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.776 0.013 25062 4349 1 6 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.304 -0.302 25062 4350 1 6 . 1 1 102 102 LYS H H 102 7.124 7.124 7.172 -0.048 25062 4351 1 6 . 1 1 103 103 GLY N N 103 105.781 105.781 105.826 -0.045 25062 4352 1 6 . 1 1 103 103 GLY C C 103 174.378 174.378 174.472 -0.094 25062 4353 1 6 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.868 0.186 25062 4354 1 6 . 1 1 103 103 GLY H H 103 7.771 7.771 7.272 0.499 25062 4355 1 6 . 1 1 104 104 TYR N N 104 119.257 119.257 118.354 0.903 25062 4356 1 6 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.566 0.372 25062 4357 1 6 . 1 1 104 104 TYR C C 104 175.223 175.223 174.396 0.827 25062 4358 1 6 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.659 -1.208 25062 4359 1 6 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.374 -1.629 25062 4360 1 6 . 1 1 104 104 TYR H H 104 6.914 6.914 7.457 -0.543 25062 4361 1 6 . 1 1 105 105 ASP N N 105 122.574 122.574 123.523 -0.949 25062 4362 1 6 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.686 0.095 25062 4363 1 6 . 1 1 105 105 ASP C C 105 174.818 174.818 174.744 0.074 25062 4364 1 6 . 1 1 105 105 ASP CA C 105 54.215 54.215 53.566 0.649 25062 4365 1 6 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.581 0.220 25062 4366 1 6 . 1 1 105 105 ASP H H 105 8.223 8.223 8.320 -0.097 25062 4367 1 6 . 1 1 106 106 VAL N N 106 121.990 121.990 125.591 -3.601 25062 4368 1 6 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.810 0.447 25062 4369 1 6 . 1 1 106 106 VAL C C 106 173.835 173.835 175.329 -1.494 25062 4370 1 6 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.977 -0.935 25062 4371 1 6 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.294 1.085 25062 4372 1 6 . 1 1 106 106 VAL H H 106 7.876 7.876 7.959 -0.083 25062 4373 1 6 . 1 1 107 107 TYR N N 107 125.444 125.444 126.416 -0.972 25062 4374 1 6 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.871 0.136 25062 4375 1 6 . 1 1 107 107 TYR C C 107 174.765 174.765 175.289 -0.524 25062 4376 1 6 . 1 1 107 107 TYR CA C 107 56.065 56.065 57.187 -1.122 25062 4377 1 6 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.906 -0.017 25062 4378 1 6 . 1 1 107 107 TYR H H 107 9.400 9.400 9.145 0.255 25062 4379 1 6 . 1 1 108 108 THR N N 108 111.100 111.100 113.941 -2.841 25062 4380 1 6 . 1 1 108 108 THR HA H 108 5.212 5.212 5.135 0.077 25062 4381 1 6 . 1 1 108 108 THR C C 108 174.350 174.350 173.705 0.645 25062 4382 1 6 . 1 1 108 108 THR CA C 108 59.514 59.514 60.164 -0.650 25062 4383 1 6 . 1 1 108 108 THR CB C 108 70.911 70.911 70.757 0.155 25062 4384 1 6 . 1 1 108 108 THR H H 108 8.801 8.801 8.422 0.379 25062 4385 1 6 . 1 1 109 109 SER N N 109 114.650 114.650 117.473 -2.823 25062 4386 1 6 . 1 1 109 109 SER HA H 109 4.901 4.901 4.763 0.138 25062 4387 1 6 . 1 1 109 109 SER C C 109 172.399 172.399 174.315 -1.916 25062 4388 1 6 . 1 1 109 109 SER CA C 109 57.974 57.974 57.170 0.804 25062 4389 1 6 . 1 1 109 109 SER CB C 109 67.764 67.764 66.116 1.648 25062 4390 1 6 . 1 1 109 109 SER H H 109 8.565 8.565 8.680 -0.115 25062 4391 1 6 . 1 1 110 110 ARG N N 110 119.807 119.807 122.967 -3.160 25062 4392 1 6 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.392 0.617 25062 4393 1 6 . 1 1 110 110 ARG C C 110 175.995 175.995 175.783 0.212 25062 4394 1 6 . 1 1 110 110 ARG CA C 110 56.009 56.009 58.177 -2.168 25062 4395 1 6 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.605 1.212 25062 4396 1 6 . 1 1 110 110 ARG H H 110 8.948 8.948 8.825 0.123 25062 4397 1 6 . 1 1 111 111 ASN N N 111 110.690 110.690 111.133 -0.443 25062 4398 1 6 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.707 -0.074 25062 4399 1 6 . 1 1 111 111 ASN C C 111 174.460 174.460 174.728 -0.268 25062 4400 1 6 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.433 -1.063 25062 4401 1 6 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.507 -0.390 25062 4402 1 6 . 1 1 111 111 ASN H H 111 7.426 7.426 7.367 0.059 25062 4403 1 6 . 1 1 112 112 GLU N N 112 119.451 119.451 120.592 -1.141 25062 4404 1 6 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.987 -0.179 25062 4405 1 6 . 1 1 112 112 GLU C C 112 176.445 176.445 177.628 -1.183 25062 4406 1 6 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.256 -0.063 25062 4407 1 6 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.288 1.318 25062 4408 1 6 . 1 1 112 112 GLU H H 112 9.529 9.529 8.953 0.576 25062 4409 1 6 . 1 1 113 113 ASP N N 113 120.739 120.739 118.055 2.684 25062 4410 1 6 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.395 -0.026 25062 4411 1 6 . 1 1 113 113 ASP C C 113 179.043 179.043 179.071 -0.028 25062 4412 1 6 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.662 0.443 25062 4413 1 6 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.132 0.815 25062 4414 1 6 . 1 1 113 113 ASP H H 113 8.256 8.256 8.666 -0.410 25062 4415 1 6 . 1 1 114 114 GLU N N 114 119.817 119.817 119.926 -0.109 25062 4416 1 6 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.082 -0.032 25062 4417 1 6 . 1 1 114 114 GLU C C 114 178.770 178.770 178.488 0.282 25062 4418 1 6 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.090 0.150 25062 4419 1 6 . 1 1 114 114 GLU CB C 114 30.656 30.656 28.769 1.887 25062 4420 1 6 . 1 1 114 114 GLU H H 114 8.577 8.577 7.944 0.633 25062 4421 1 6 . 1 1 115 115 ALA N N 115 121.470 121.470 122.489 -1.019 25062 4422 1 6 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.062 -0.007 25062 4423 1 6 . 1 1 115 115 ALA C C 115 178.962 178.962 179.267 -0.305 25062 4424 1 6 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.160 0.053 25062 4425 1 6 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.321 1.536 25062 4426 1 6 . 1 1 115 115 ALA H H 115 8.358 8.358 8.298 0.060 25062 4427 1 6 . 1 1 116 116 LYS N N 116 117.285 117.285 119.118 -1.833 25062 4428 1 6 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.983 -0.325 25062 4429 1 6 . 1 1 116 116 LYS C C 116 178.583 178.583 178.507 0.076 25062 4430 1 6 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.786 1.131 25062 4431 1 6 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.457 0.354 25062 4432 1 6 . 1 1 116 116 LYS H H 116 8.350 8.350 8.216 0.134 25062 4433 1 6 . 1 1 117 117 LYS N N 117 118.433 118.433 117.849 0.584 25062 4434 1 6 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.997 -0.011 25062 4435 1 6 . 1 1 117 117 LYS C C 117 179.380 179.380 179.026 0.354 25062 4436 1 6 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.292 0.313 25062 4437 1 6 . 1 1 117 117 LYS CB C 117 32.382 32.382 31.866 0.516 25062 4438 1 6 . 1 1 117 117 LYS H H 117 7.345 7.345 7.598 -0.253 25062 4439 1 6 . 1 1 118 118 LYS N N 118 118.166 118.166 119.413 -1.247 25062 4440 1 6 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.890 0.049 25062 4441 1 6 . 1 1 118 118 LYS C C 118 178.088 178.088 178.880 -0.792 25062 4442 1 6 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.415 -0.859 25062 4443 1 6 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.802 -0.662 25062 4444 1 6 . 1 1 118 118 LYS H H 118 8.130 8.130 7.866 0.264 25062 4445 1 6 . 1 1 119 119 LEU N N 119 120.654 120.654 120.859 -0.205 25062 4446 1 6 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.943 -0.159 25062 4447 1 6 . 1 1 119 119 LEU C C 119 177.567 177.567 178.535 -0.968 25062 4448 1 6 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.841 0.073 25062 4449 1 6 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.916 0.258 25062 4450 1 6 . 1 1 119 119 LEU H H 119 8.592 8.592 7.758 0.834 25062 4451 1 6 . 1 1 120 120 LYS N N 120 118.314 118.314 118.824 -0.510 25062 4452 1 6 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.574 -0.029 25062 4453 1 6 . 1 1 120 120 LYS C C 120 178.624 178.624 178.884 -0.260 25062 4454 1 6 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.917 0.373 25062 4455 1 6 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.082 -0.318 25062 4456 1 6 . 1 1 120 120 LYS H H 120 7.753 7.753 8.127 -0.374 25062 4457 1 6 . 1 1 121 121 GLU N N 121 118.446 118.446 119.928 -1.482 25062 4458 1 6 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.189 -0.183 25062 4459 1 6 . 1 1 121 121 GLU C C 121 178.744 178.744 178.857 -0.113 25062 4460 1 6 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.216 0.323 25062 4461 1 6 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.467 -0.104 25062 4462 1 6 . 1 1 121 121 GLU H H 121 7.777 7.777 7.998 -0.221 25062 4463 1 6 . 1 1 122 122 ALA N N 122 121.333 121.333 121.858 -0.525 25062 4464 1 6 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.087 -0.131 25062 4465 1 6 . 1 1 122 122 ALA C C 122 179.973 179.973 179.683 0.290 25062 4466 1 6 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.934 0.027 25062 4467 1 6 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.440 -0.012 25062 4468 1 6 . 1 1 122 122 ALA H H 122 8.229 8.229 7.633 0.596 25062 4469 1 6 . 1 1 123 123 LEU N N 123 118.790 118.790 119.320 -0.530 25062 4470 1 6 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.996 -0.216 25062 4471 1 6 . 1 1 123 123 LEU C C 123 179.703 179.703 179.224 0.479 25062 4472 1 6 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.441 0.448 25062 4473 1 6 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.723 -0.871 25062 4474 1 6 . 1 1 123 123 LEU H H 123 8.177 8.177 7.982 0.195 25062 4475 1 6 . 1 1 124 124 GLU N N 124 120.881 120.881 118.585 2.296 25062 4476 1 6 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.242 -0.098 25062 4477 1 6 . 1 1 124 124 GLU C C 124 179.732 179.732 179.102 0.630 25062 4478 1 6 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.986 0.453 25062 4479 1 6 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.554 -0.034 25062 4480 1 6 . 1 1 124 124 GLU H H 124 8.393 8.393 8.042 0.351 25062 4481 1 6 . 1 1 125 125 LYS N N 125 119.526 119.526 118.807 0.719 25062 4482 1 6 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.151 0.108 25062 4483 1 6 . 1 1 125 125 LYS C C 125 177.862 177.862 178.478 -0.616 25062 4484 1 6 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.589 -0.644 25062 4485 1 6 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.580 -0.223 25062 4486 1 6 . 1 1 125 125 LYS H H 125 8.290 8.290 8.019 0.271 25062 4487 1 6 . 1 1 126 126 SER N N 126 114.103 114.103 111.712 2.391 25062 4488 1 6 . 1 1 126 126 SER HA H 126 4.385 4.385 4.505 -0.120 25062 4489 1 6 . 1 1 126 126 SER C C 126 174.460 174.460 175.265 -0.805 25062 4490 1 6 . 1 1 126 126 SER CA C 126 59.611 59.611 58.519 1.092 25062 4491 1 6 . 1 1 126 126 SER CB C 126 63.479 63.479 64.052 -0.573 25062 4492 1 6 . 1 1 126 126 SER H H 126 7.702 7.702 7.634 0.068 25062 4493 1 6 . 1 1 127 127 GLY N N 127 108.584 108.584 109.445 -0.861 25062 4494 1 6 . 1 1 127 127 GLY C C 127 174.103 174.103 174.891 -0.788 25062 4495 1 6 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.047 0.390 25062 4496 1 6 . 1 1 127 127 GLY H H 127 7.933 7.933 7.609 0.324 25062 4497 1 6 . 1 1 128 128 SER N N 128 115.990 115.990 120.712 -4.722 25062 4498 1 6 . 1 1 128 128 SER HA H 128 4.590 4.590 4.453 0.137 25062 4499 1 6 . 1 1 128 128 SER C C 128 174.412 174.412 173.661 0.751 25062 4500 1 6 . 1 1 128 128 SER CA C 128 57.986 57.986 59.870 -1.884 25062 4501 1 6 . 1 1 128 128 SER CB C 128 63.336 63.336 63.018 0.318 25062 4502 1 6 . 1 1 128 128 SER H H 128 8.091 8.091 7.983 0.108 25062 4503 1 6 . 1 1 129 129 LEU N N 129 125.492 125.492 125.944 -0.452 25062 4504 1 6 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.584 -0.143 25062 4505 1 6 . 1 1 129 129 LEU C C 129 177.084 177.084 176.035 1.049 25062 4506 1 6 . 1 1 129 129 LEU CA C 129 54.876 54.876 53.081 1.796 25062 4507 1 6 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.499 -2.190 25062 4508 1 6 . 1 1 129 129 LEU H H 129 8.262 8.262 7.885 0.377 25062 4509 1 6 . 1 1 130 130 GLU N N 130 121.006 121.006 121.420 -0.414 25062 4510 1 6 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.332 -0.357 25062 4511 1 6 . 1 1 130 130 GLU C C 130 176.435 176.435 175.791 0.644 25062 4512 1 6 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.585 1.227 25062 4513 1 6 . 1 1 130 130 GLU CB C 130 30.279 30.279 29.681 0.598 25062 4514 1 6 . 1 1 130 130 GLU H H 130 8.398 8.398 7.861 0.537 25062 4515 1 6 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.844 -0.253 25062 4516 1 6 . 1 1 131 131 HIS C C 131 174.179 174.179 174.817 -0.638 25062 4517 1 6 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.098 0.051 25062 4518 1 6 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.960 -0.129 25062 4519 1 6 . 1 1 132 132 HIS N N 132 125.794 125.794 122.739 3.055 25062 4520 1 6 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.723 -0.307 25062 4521 1 6 . 1 1 132 132 HIS C C 132 179.523 179.523 173.901 5.622 25062 4522 1 6 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.141 1.375 25062 4523 1 6 . 1 1 132 132 HIS CB C 132 31.008 31.008 31.401 -0.393 25062 4524 1 6 . 1 1 132 132 HIS H H 132 7.935 7.935 8.711 -0.776 25062 4525 1 7 . 1 1 2 2 GLY N N 2 109.342 109.342 108.369 0.973 25062 4526 1 7 . 1 1 2 2 GLY C C 2 172.736 172.736 172.402 0.334 25062 4527 1 7 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.936 0.720 25062 4528 1 7 . 1 1 2 2 GLY H H 2 8.632 8.632 8.142 0.490 25062 4529 1 7 . 1 1 3 3 VAL N N 3 123.457 123.457 123.544 -0.087 25062 4530 1 7 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.488 0.493 25062 4531 1 7 . 1 1 3 3 VAL C C 3 173.780 173.780 174.701 -0.921 25062 4532 1 7 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.536 -1.186 25062 4533 1 7 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.216 -0.103 25062 4534 1 7 . 1 1 3 3 VAL H H 3 7.516 7.516 8.026 -0.510 25062 4535 1 7 . 1 1 4 4 VAL N N 4 125.375 125.375 125.257 0.118 25062 4536 1 7 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.794 -0.263 25062 4537 1 7 . 1 1 4 4 VAL C C 4 173.185 173.185 174.935 -1.750 25062 4538 1 7 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.893 -0.392 25062 4539 1 7 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.290 0.505 25062 4540 1 7 . 1 1 4 4 VAL H H 4 8.810 8.810 8.777 0.033 25062 4541 1 7 . 1 1 5 5 ILE N N 5 127.180 127.180 128.979 -1.799 25062 4542 1 7 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.672 0.197 25062 4543 1 7 . 1 1 5 5 ILE C C 5 174.303 174.303 175.051 -0.748 25062 4544 1 7 . 1 1 5 5 ILE CA C 5 59.410 59.410 59.728 -0.318 25062 4545 1 7 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.239 0.404 25062 4546 1 7 . 1 1 5 5 ILE H H 5 8.800 8.800 8.961 -0.161 25062 4547 1 7 . 1 1 6 6 LEU N N 6 129.025 129.025 129.644 -0.619 25062 4548 1 7 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.613 0.400 25062 4549 1 7 . 1 1 6 6 LEU C C 6 174.847 174.847 176.008 -1.161 25062 4550 1 7 . 1 1 6 6 LEU CA C 6 53.468 53.468 54.091 -0.623 25062 4551 1 7 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.976 2.317 25062 4552 1 7 . 1 1 6 6 LEU H H 6 9.424 9.424 8.830 0.594 25062 4553 1 7 . 1 1 7 7 VAL N N 7 123.364 123.364 126.764 -3.400 25062 4554 1 7 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.471 0.186 25062 4555 1 7 . 1 1 7 7 VAL C C 7 174.210 174.210 175.074 -0.864 25062 4556 1 7 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.831 -1.004 25062 4557 1 7 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.716 0.537 25062 4558 1 7 . 1 1 7 7 VAL H H 7 8.653 8.653 8.907 -0.254 25062 4559 1 7 . 1 1 8 8 LEU N N 8 130.560 130.560 131.368 -0.808 25062 4560 1 7 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.199 0.096 25062 4561 1 7 . 1 1 8 8 LEU C C 8 175.744 175.744 176.508 -0.764 25062 4562 1 7 . 1 1 8 8 LEU CA C 8 53.886 53.886 53.975 -0.089 25062 4563 1 7 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.605 0.891 25062 4564 1 7 . 1 1 8 8 LEU H H 8 9.069 9.069 8.708 0.361 25062 4565 1 7 . 1 1 9 9 THR N N 9 112.810 112.810 114.739 -1.929 25062 4566 1 7 . 1 1 9 9 THR HA H 9 4.959 4.959 4.838 0.121 25062 4567 1 7 . 1 1 9 9 THR C C 9 174.213 174.213 175.950 -1.737 25062 4568 1 7 . 1 1 9 9 THR CA C 9 59.948 59.948 59.446 0.502 25062 4569 1 7 . 1 1 9 9 THR CB C 9 70.756 70.756 70.886 -0.130 25062 4570 1 7 . 1 1 9 9 THR H H 9 8.028 8.028 8.654 -0.626 25062 4571 1 7 . 1 1 10 10 GLY N N 10 107.740 107.740 109.992 -2.252 25062 4572 1 7 . 1 1 10 10 GLY C C 10 173.064 173.064 173.318 -0.254 25062 4573 1 7 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.809 -0.379 25062 4574 1 7 . 1 1 10 10 GLY H H 10 7.827 7.827 8.326 -0.499 25062 4575 1 7 . 1 1 11 11 ASP N N 11 119.119 119.119 116.693 2.426 25062 4576 1 7 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.714 0.139 25062 4577 1 7 . 1 1 11 11 ASP C C 11 176.118 176.118 175.283 0.835 25062 4578 1 7 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.808 0.164 25062 4579 1 7 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.303 -0.062 25062 4580 1 7 . 1 1 11 11 ASP H H 11 7.642 7.642 7.215 0.427 25062 4581 1 7 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.044 0.056 25062 4582 1 7 . 1 1 12 12 GLU C C 12 178.508 178.508 177.729 0.779 25062 4583 1 7 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.991 -0.527 25062 4584 1 7 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.938 -0.605 25062 4585 1 7 . 1 1 13 13 ARG N N 13 121.589 121.589 118.999 2.590 25062 4586 1 7 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.099 0.038 25062 4587 1 7 . 1 1 13 13 ARG C C 13 179.625 179.625 178.529 1.096 25062 4588 1 7 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.560 0.858 25062 4589 1 7 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.499 -0.144 25062 4590 1 7 . 1 1 13 13 ARG H H 13 8.593 8.593 7.838 0.755 25062 4591 1 7 . 1 1 14 14 ILE N N 14 119.911 119.911 119.197 0.714 25062 4592 1 7 . 1 1 14 14 ILE HA H 14 3.650 3.650 4.065 -0.415 25062 4593 1 7 . 1 1 14 14 ILE C C 14 177.727 177.727 177.749 -0.022 25062 4594 1 7 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.805 0.353 25062 4595 1 7 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.570 -0.231 25062 4596 1 7 . 1 1 14 14 ILE H H 14 7.823 7.823 7.834 -0.011 25062 4597 1 7 . 1 1 15 15 ALA N N 15 121.015 121.015 121.445 -0.430 25062 4598 1 7 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.886 -0.167 25062 4599 1 7 . 1 1 15 15 ALA C C 15 178.994 178.994 179.032 -0.038 25062 4600 1 7 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.059 0.831 25062 4601 1 7 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.907 -0.056 25062 4602 1 7 . 1 1 15 15 ALA H H 15 7.610 7.610 7.494 0.117 25062 4603 1 7 . 1 1 16 16 GLU N N 16 117.655 117.655 118.532 -0.877 25062 4604 1 7 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.737 0.397 25062 4605 1 7 . 1 1 16 16 GLU C C 16 178.517 178.517 178.431 0.086 25062 4606 1 7 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.150 -0.871 25062 4607 1 7 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.661 -0.439 25062 4608 1 7 . 1 1 16 16 GLU H H 16 7.808 7.808 7.869 -0.061 25062 4609 1 7 . 1 1 17 17 GLU N N 17 119.648 119.648 119.282 0.366 25062 4610 1 7 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.045 0.009 25062 4611 1 7 . 1 1 17 17 GLU C C 17 180.213 180.213 179.141 1.072 25062 4612 1 7 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.818 0.416 25062 4613 1 7 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.203 -0.051 25062 4614 1 7 . 1 1 17 17 GLU H H 17 8.002 8.002 7.825 0.177 25062 4615 1 7 . 1 1 18 18 LEU N N 18 119.118 119.118 120.309 -1.191 25062 4616 1 7 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.084 0.016 25062 4617 1 7 . 1 1 18 18 LEU C C 18 178.233 178.233 178.932 -0.699 25062 4618 1 7 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.260 0.546 25062 4619 1 7 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.543 -0.672 25062 4620 1 7 . 1 1 18 18 LEU H H 18 8.554 8.554 7.800 0.754 25062 4621 1 7 . 1 1 19 19 ARG N N 19 122.158 122.158 120.262 1.896 25062 4622 1 7 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.095 -0.280 25062 4623 1 7 . 1 1 19 19 ARG C C 19 178.686 178.686 178.349 0.337 25062 4624 1 7 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.947 0.969 25062 4625 1 7 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.885 -0.546 25062 4626 1 7 . 1 1 19 19 ARG H H 19 8.274 8.274 7.364 0.910 25062 4627 1 7 . 1 1 20 20 LYS N N 20 118.130 118.130 118.208 -0.078 25062 4628 1 7 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.959 -0.024 25062 4629 1 7 . 1 1 20 20 LYS C C 20 179.078 179.078 178.815 0.263 25062 4630 1 7 . 1 1 20 20 LYS CA C 20 59.753 59.753 60.006 -0.253 25062 4631 1 7 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.987 0.453 25062 4632 1 7 . 1 1 20 20 LYS H H 20 7.977 7.977 7.812 0.165 25062 4633 1 7 . 1 1 21 21 GLU N N 21 120.451 120.451 119.725 0.726 25062 4634 1 7 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.124 -0.069 25062 4635 1 7 . 1 1 21 21 GLU C C 21 178.995 178.995 178.994 0.001 25062 4636 1 7 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.234 -0.131 25062 4637 1 7 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.419 -0.256 25062 4638 1 7 . 1 1 21 21 GLU H H 21 7.813 7.813 7.523 0.290 25062 4639 1 7 . 1 1 22 22 VAL N N 22 119.654 119.654 119.503 0.151 25062 4640 1 7 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.691 -0.251 25062 4641 1 7 . 1 1 22 22 VAL C C 22 176.428 176.428 178.526 -2.098 25062 4642 1 7 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.604 0.517 25062 4643 1 7 . 1 1 22 22 VAL CB C 22 31.452 31.452 30.903 0.549 25062 4644 1 7 . 1 1 22 22 VAL H H 22 8.146 8.146 8.100 0.046 25062 4645 1 7 . 1 1 23 23 GLN N N 23 116.884 116.884 117.542 -0.658 25062 4646 1 7 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.133 -0.181 25062 4647 1 7 . 1 1 23 23 GLN C C 23 177.429 177.429 177.526 -0.097 25062 4648 1 7 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.914 0.853 25062 4649 1 7 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.292 0.259 25062 4650 1 7 . 1 1 23 23 GLN H H 23 7.588 7.588 7.871 -0.283 25062 4651 1 7 . 1 1 24 24 LYS N N 24 116.529 116.529 116.572 -0.043 25062 4652 1 7 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.198 -0.202 25062 4653 1 7 . 1 1 24 24 LYS C C 24 177.508 177.508 178.623 -1.115 25062 4654 1 7 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.751 0.664 25062 4655 1 7 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.797 0.120 25062 4656 1 7 . 1 1 24 24 LYS H H 24 7.544 7.544 7.687 -0.143 25062 4657 1 7 . 1 1 25 25 HIS N N 25 119.657 119.657 118.378 1.279 25062 4658 1 7 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.447 -0.194 25062 4659 1 7 . 1 1 25 25 HIS C C 25 175.915 175.915 175.249 0.666 25062 4660 1 7 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.494 0.948 25062 4661 1 7 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.123 0.747 25062 4662 1 7 . 1 1 25 25 HIS H H 25 7.809 7.809 7.975 -0.166 25062 4663 1 7 . 1 1 26 26 ASP N N 26 113.221 113.221 115.603 -2.382 25062 4664 1 7 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.903 -0.168 25062 4665 1 7 . 1 1 26 26 ASP C C 26 173.856 173.856 174.133 -0.277 25062 4666 1 7 . 1 1 26 26 ASP CA C 26 51.670 51.670 53.005 -1.335 25062 4667 1 7 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.225 -0.859 25062 4668 1 7 . 1 1 26 26 ASP H H 26 8.358 8.358 8.346 0.012 25062 4669 1 7 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.871 -0.305 25062 4670 1 7 . 1 1 27 27 PRO C C 27 176.845 176.845 176.386 0.459 25062 4671 1 7 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.159 0.718 25062 4672 1 7 . 1 1 27 27 PRO CB C 27 32.285 32.285 31.736 0.549 25062 4673 1 7 . 1 1 28 28 ASN N N 28 115.529 115.529 117.097 -1.568 25062 4674 1 7 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.787 -0.115 25062 4675 1 7 . 1 1 28 28 ASN C C 28 175.632 175.632 175.548 0.084 25062 4676 1 7 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.477 0.338 25062 4677 1 7 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.543 -0.449 25062 4678 1 7 . 1 1 28 28 ASN H H 28 8.570 8.570 8.043 0.527 25062 4679 1 7 . 1 1 29 29 VAL N N 29 121.867 121.867 121.500 0.367 25062 4680 1 7 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.819 0.065 25062 4681 1 7 . 1 1 29 29 VAL C C 29 175.085 175.085 176.100 -1.015 25062 4682 1 7 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.455 -0.280 25062 4683 1 7 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.851 0.147 25062 4684 1 7 . 1 1 29 29 VAL H H 29 7.465 7.465 7.620 -0.155 25062 4685 1 7 . 1 1 30 30 LYS N N 30 130.242 130.242 127.726 2.516 25062 4686 1 7 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.324 0.110 25062 4687 1 7 . 1 1 30 30 LYS C C 30 175.093 175.093 175.897 -0.804 25062 4688 1 7 . 1 1 30 30 LYS CA C 30 55.373 55.373 56.172 -0.799 25062 4689 1 7 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.052 -0.625 25062 4690 1 7 . 1 1 30 30 LYS H H 30 9.036 9.036 8.470 0.566 25062 4691 1 7 . 1 1 31 31 THR N N 31 113.173 113.173 112.547 0.626 25062 4692 1 7 . 1 1 31 31 THR HA H 31 5.688 5.688 5.325 0.362 25062 4693 1 7 . 1 1 31 31 THR C C 31 174.708 174.708 173.275 1.433 25062 4694 1 7 . 1 1 31 31 THR CA C 31 58.537 58.537 60.264 -1.727 25062 4695 1 7 . 1 1 31 31 THR CB C 31 71.419 71.419 71.086 0.333 25062 4696 1 7 . 1 1 31 31 THR H H 31 8.185 8.185 8.289 -0.104 25062 4697 1 7 . 1 1 32 32 VAL N N 32 122.168 122.168 123.484 -1.316 25062 4698 1 7 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.748 0.147 25062 4699 1 7 . 1 1 32 32 VAL C C 32 173.388 173.388 173.714 -0.326 25062 4700 1 7 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.956 -0.223 25062 4701 1 7 . 1 1 32 32 VAL CB C 32 33.904 33.904 35.462 -1.558 25062 4702 1 7 . 1 1 32 32 VAL H H 32 8.968 8.968 8.361 0.607 25062 4703 1 7 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.761 0.213 25062 4704 1 7 . 1 1 33 33 PRO C C 33 177.848 177.848 177.963 -0.115 25062 4705 1 7 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.563 -0.221 25062 4706 1 7 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.278 0.743 25062 4707 1 7 . 1 1 34 34 THR N N 34 114.266 114.266 111.837 2.429 25062 4708 1 7 . 1 1 34 34 THR HA H 34 4.118 4.118 4.316 -0.199 25062 4709 1 7 . 1 1 34 34 THR C C 34 176.879 176.879 176.226 0.653 25062 4710 1 7 . 1 1 34 34 THR CA C 34 64.607 64.607 65.548 -0.941 25062 4711 1 7 . 1 1 34 34 THR CB C 34 68.311 68.311 69.067 -0.756 25062 4712 1 7 . 1 1 34 34 THR H H 34 9.033 9.033 8.558 0.475 25062 4713 1 7 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.259 -0.014 25062 4714 1 7 . 1 1 35 35 LYS C C 35 176.639 176.639 176.561 0.078 25062 4715 1 7 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.270 0.864 25062 4716 1 7 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.829 0.474 25062 4717 1 7 . 1 1 36 36 ASP N N 36 120.993 120.993 120.691 0.302 25062 4718 1 7 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.846 0.169 25062 4719 1 7 . 1 1 36 36 ASP C C 36 176.202 176.202 175.818 0.384 25062 4720 1 7 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.784 -0.348 25062 4721 1 7 . 1 1 36 36 ASP CB C 36 41.110 41.110 41.004 0.106 25062 4722 1 7 . 1 1 36 36 ASP H H 36 7.726 7.726 7.642 0.084 25062 4723 1 7 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.855 0.133 25062 4724 1 7 . 1 1 37 37 LYS C C 37 177.948 177.948 177.832 0.116 25062 4725 1 7 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.987 -0.679 25062 4726 1 7 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.542 0.306 25062 4727 1 7 . 1 1 38 38 GLU N N 38 119.141 119.141 117.760 1.381 25062 4728 1 7 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.080 0.170 25062 4729 1 7 . 1 1 38 38 GLU C C 38 178.054 178.054 178.925 -0.871 25062 4730 1 7 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.060 -0.558 25062 4731 1 7 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.180 0.027 25062 4732 1 7 . 1 1 38 38 GLU H H 38 8.883 8.883 8.721 0.162 25062 4733 1 7 . 1 1 39 39 LYS N N 39 118.440 118.440 119.166 -0.726 25062 4734 1 7 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.141 0.366 25062 4735 1 7 . 1 1 39 39 LYS C C 39 177.126 177.126 178.743 -1.617 25062 4736 1 7 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.481 -2.174 25062 4737 1 7 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.200 0.224 25062 4738 1 7 . 1 1 39 39 LYS H H 39 8.064 8.064 7.361 0.703 25062 4739 1 7 . 1 1 40 40 VAL N N 40 118.130 118.130 120.454 -2.324 25062 4740 1 7 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.562 -0.167 25062 4741 1 7 . 1 1 40 40 VAL C C 40 176.934 176.934 177.404 -0.470 25062 4742 1 7 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.198 0.423 25062 4743 1 7 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.284 0.371 25062 4744 1 7 . 1 1 40 40 VAL H H 40 7.308 7.308 8.027 -0.719 25062 4745 1 7 . 1 1 41 41 LYS N N 41 118.555 118.555 118.658 -0.103 25062 4746 1 7 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.729 -0.086 25062 4747 1 7 . 1 1 41 41 LYS C C 41 178.363 178.363 178.234 0.129 25062 4748 1 7 . 1 1 41 41 LYS CA C 41 61.287 61.287 60.238 1.049 25062 4749 1 7 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.669 -0.215 25062 4750 1 7 . 1 1 41 41 LYS H H 41 8.150 8.150 8.165 -0.015 25062 4751 1 7 . 1 1 42 42 GLU N N 42 119.454 119.454 117.660 1.794 25062 4752 1 7 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.048 0.050 25062 4753 1 7 . 1 1 42 42 GLU C C 42 179.552 179.552 179.105 0.447 25062 4754 1 7 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.422 -0.167 25062 4755 1 7 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.002 0.592 25062 4756 1 7 . 1 1 42 42 GLU H H 42 8.067 8.067 7.613 0.454 25062 4757 1 7 . 1 1 43 43 GLU N N 43 118.427 118.427 118.891 -0.464 25062 4758 1 7 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.169 0.126 25062 4759 1 7 . 1 1 43 43 GLU C C 43 180.076 180.076 179.431 0.645 25062 4760 1 7 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.389 0.066 25062 4761 1 7 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.305 -0.660 25062 4762 1 7 . 1 1 43 43 GLU H H 43 8.189 8.189 7.859 0.330 25062 4763 1 7 . 1 1 44 44 ILE N N 44 122.905 122.905 121.090 1.815 25062 4764 1 7 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.656 -0.021 25062 4765 1 7 . 1 1 44 44 ILE C C 44 176.828 176.828 177.724 -0.896 25062 4766 1 7 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.057 0.340 25062 4767 1 7 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.937 -0.398 25062 4768 1 7 . 1 1 44 44 ILE H H 44 8.734 8.734 8.530 0.204 25062 4769 1 7 . 1 1 45 45 GLU N N 45 120.098 120.098 120.716 -0.618 25062 4770 1 7 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.122 0.017 25062 4771 1 7 . 1 1 45 45 GLU C C 45 178.930 178.930 179.005 -0.075 25062 4772 1 7 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.532 -0.043 25062 4773 1 7 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.656 -0.508 25062 4774 1 7 . 1 1 45 45 GLU H H 45 8.099 8.099 7.846 0.253 25062 4775 1 7 . 1 1 46 46 LYS N N 46 118.360 118.360 118.725 -0.365 25062 4776 1 7 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.089 -0.080 25062 4777 1 7 . 1 1 46 46 LYS C C 46 178.775 178.775 178.985 -0.210 25062 4778 1 7 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.000 0.902 25062 4779 1 7 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.352 0.350 25062 4780 1 7 . 1 1 46 46 LYS H H 46 7.854 7.854 7.990 -0.136 25062 4781 1 7 . 1 1 47 47 ALA N N 47 122.551 122.551 122.580 -0.029 25062 4782 1 7 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.064 0.064 25062 4783 1 7 . 1 1 47 47 ALA C C 47 180.095 180.095 179.022 1.073 25062 4784 1 7 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.081 0.322 25062 4785 1 7 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.530 -0.825 25062 4786 1 7 . 1 1 47 47 ALA H H 47 8.135 8.135 7.955 0.180 25062 4787 1 7 . 1 1 48 48 ARG N N 48 118.945 118.945 118.479 0.466 25062 4788 1 7 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.953 0.104 25062 4789 1 7 . 1 1 48 48 ARG C C 48 179.960 179.960 178.500 1.460 25062 4790 1 7 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.246 0.041 25062 4791 1 7 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.101 -0.649 25062 4792 1 7 . 1 1 48 48 ARG H H 48 8.655 8.655 8.102 0.553 25062 4793 1 7 . 1 1 49 49 LYS N N 49 119.557 119.557 118.749 0.808 25062 4794 1 7 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.125 -0.068 25062 4795 1 7 . 1 1 49 49 LYS C C 49 178.288 178.288 178.594 -0.306 25062 4796 1 7 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.568 0.402 25062 4797 1 7 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.226 0.427 25062 4798 1 7 . 1 1 49 49 LYS H H 49 8.058 8.058 7.777 0.281 25062 4799 1 7 . 1 1 50 50 GLN N N 50 115.215 115.215 114.972 0.243 25062 4800 1 7 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.377 -0.000 25062 4801 1 7 . 1 1 50 50 GLN C C 50 176.439 176.439 176.388 0.051 25062 4802 1 7 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.781 0.192 25062 4803 1 7 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.677 0.131 25062 4804 1 7 . 1 1 50 50 GLN H H 50 7.938 7.938 7.539 0.399 25062 4805 1 7 . 1 1 51 51 GLY N N 51 109.413 109.413 107.354 2.059 25062 4806 1 7 . 1 1 51 51 GLY C C 51 174.570 174.570 173.933 0.637 25062 4807 1 7 . 1 1 51 51 GLY CA C 51 46.595 46.595 44.821 1.774 25062 4808 1 7 . 1 1 51 51 GLY H H 51 8.070 8.070 8.145 -0.075 25062 4809 1 7 . 1 1 52 52 ARG N N 52 119.414 119.414 122.089 -2.675 25062 4810 1 7 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.859 0.043 25062 4811 1 7 . 1 1 52 52 ARG C C 52 173.093 173.093 174.952 -1.859 25062 4812 1 7 . 1 1 52 52 ARG CA C 52 52.977 52.977 53.316 -0.339 25062 4813 1 7 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.106 1.304 25062 4814 1 7 . 1 1 52 52 ARG H H 52 7.950 7.950 7.648 0.302 25062 4815 1 7 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.759 0.315 25062 4816 1 7 . 1 1 53 53 PRO C C 53 174.179 174.179 175.582 -1.403 25062 4817 1 7 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.505 -0.528 25062 4818 1 7 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.167 -0.633 25062 4819 1 7 . 1 1 54 54 ILE N N 54 115.161 115.161 117.335 -2.174 25062 4820 1 7 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.718 0.240 25062 4821 1 7 . 1 1 54 54 ILE C C 54 172.097 172.097 173.704 -1.607 25062 4822 1 7 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.685 -0.912 25062 4823 1 7 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.277 0.458 25062 4824 1 7 . 1 1 54 54 ILE H H 54 7.718 7.718 8.437 -0.719 25062 4825 1 7 . 1 1 55 55 VAL N N 55 126.019 126.019 129.814 -3.795 25062 4826 1 7 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.362 0.518 25062 4827 1 7 . 1 1 55 55 VAL C C 55 173.844 173.844 174.822 -0.978 25062 4828 1 7 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.346 -1.053 25062 4829 1 7 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.811 1.457 25062 4830 1 7 . 1 1 55 55 VAL H H 55 8.352 8.352 8.777 -0.425 25062 4831 1 7 . 1 1 56 56 VAL N N 56 127.584 127.584 128.068 -0.484 25062 4832 1 7 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.381 0.060 25062 4833 1 7 . 1 1 56 56 VAL C C 56 173.968 173.968 174.811 -0.843 25062 4834 1 7 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.846 -1.303 25062 4835 1 7 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.854 1.526 25062 4836 1 7 . 1 1 56 56 VAL H H 56 9.291 9.291 8.530 0.761 25062 4837 1 7 . 1 1 57 57 PHE N N 57 125.432 125.432 125.784 -0.352 25062 4838 1 7 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.243 -0.313 25062 4839 1 7 . 1 1 57 57 PHE C C 57 174.987 174.987 175.294 -0.307 25062 4840 1 7 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.390 1.818 25062 4841 1 7 . 1 1 57 57 PHE CB C 57 39.886 39.886 41.391 -1.505 25062 4842 1 7 . 1 1 57 57 PHE H H 57 8.585 8.585 8.603 -0.018 25062 4843 1 7 . 1 1 58 58 VAL N N 58 123.763 123.763 122.764 0.999 25062 4844 1 7 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.439 -0.237 25062 4845 1 7 . 1 1 58 58 VAL C C 58 174.791 174.791 174.337 0.454 25062 4846 1 7 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.752 0.129 25062 4847 1 7 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.722 -1.010 25062 4848 1 7 . 1 1 58 58 VAL H H 58 9.008 9.008 8.971 0.037 25062 4849 1 7 . 1 1 59 59 ARG N N 59 127.924 127.924 128.300 -0.376 25062 4850 1 7 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.868 -0.286 25062 4851 1 7 . 1 1 59 59 ARG C C 59 177.755 177.755 177.725 0.030 25062 4852 1 7 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.165 1.373 25062 4853 1 7 . 1 1 59 59 ARG CB C 59 30.513 30.513 29.675 0.838 25062 4854 1 7 . 1 1 59 59 ARG H H 59 8.820 8.820 8.809 0.011 25062 4855 1 7 . 1 1 60 60 GLY N N 60 110.441 110.441 116.601 -6.160 25062 4856 1 7 . 1 1 60 60 GLY C C 60 174.818 174.818 175.519 -0.701 25062 4857 1 7 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.953 0.035 25062 4858 1 7 . 1 1 60 60 GLY H H 60 8.200 8.200 8.396 -0.196 25062 4859 1 7 . 1 1 61 61 GLY N N 61 109.411 109.411 111.852 -2.441 25062 4860 1 7 . 1 1 61 61 GLY C C 61 174.550 174.550 175.475 -0.925 25062 4861 1 7 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.674 -0.243 25062 4862 1 7 . 1 1 61 61 GLY H H 61 7.995 7.995 8.247 -0.252 25062 4863 1 7 . 1 1 62 62 ASP N N 62 122.920 122.920 121.125 1.795 25062 4864 1 7 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.637 0.384 25062 4865 1 7 . 1 1 62 62 ASP C C 62 176.247 176.247 176.683 -0.436 25062 4866 1 7 . 1 1 62 62 ASP CA C 62 52.527 52.527 55.632 -3.105 25062 4867 1 7 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.635 -0.820 25062 4868 1 7 . 1 1 62 62 ASP H H 62 8.090 8.090 7.732 0.358 25062 4869 1 7 . 1 1 63 63 ASP N N 63 121.058 121.058 120.887 0.171 25062 4870 1 7 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.270 -0.004 25062 4871 1 7 . 1 1 63 63 ASP C C 63 178.418 178.418 177.759 0.659 25062 4872 1 7 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.605 -0.265 25062 4873 1 7 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.276 0.296 25062 4874 1 7 . 1 1 63 63 ASP H H 63 8.023 8.023 7.954 0.069 25062 4875 1 7 . 1 1 64 64 GLU N N 64 119.564 119.564 118.604 0.960 25062 4876 1 7 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.091 -0.040 25062 4877 1 7 . 1 1 64 64 GLU C C 64 178.321 178.321 178.556 -0.235 25062 4878 1 7 . 1 1 64 64 GLU CA C 64 59.382 59.382 58.828 0.554 25062 4879 1 7 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.630 -0.586 25062 4880 1 7 . 1 1 64 64 GLU H H 64 8.760 8.760 8.000 0.760 25062 4881 1 7 . 1 1 65 65 ARG N N 65 119.839 119.839 118.072 1.767 25062 4882 1 7 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.254 -0.058 25062 4883 1 7 . 1 1 65 65 ARG C C 65 178.305 178.305 178.078 0.227 25062 4884 1 7 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.587 0.465 25062 4885 1 7 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.557 0.080 25062 4886 1 7 . 1 1 65 65 ARG H H 65 7.643 7.643 7.428 0.215 25062 4887 1 7 . 1 1 66 66 ALA N N 66 118.984 118.984 122.500 -3.516 25062 4888 1 7 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.138 -0.272 25062 4889 1 7 . 1 1 66 66 ALA C C 66 178.638 178.638 179.052 -0.414 25062 4890 1 7 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.076 0.390 25062 4891 1 7 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.204 0.157 25062 4892 1 7 . 1 1 66 66 ALA H H 66 7.782 7.782 8.232 -0.450 25062 4893 1 7 . 1 1 67 67 LYS N N 67 117.711 117.711 116.804 0.907 25062 4894 1 7 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.026 -0.007 25062 4895 1 7 . 1 1 67 67 LYS C C 67 178.363 178.363 178.082 0.281 25062 4896 1 7 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.627 -0.054 25062 4897 1 7 . 1 1 67 67 LYS CB C 67 32.224 32.224 31.832 0.392 25062 4898 1 7 . 1 1 67 67 LYS H H 67 8.010 8.010 7.915 0.095 25062 4899 1 7 . 1 1 68 68 ASP N N 68 119.581 119.581 120.253 -0.672 25062 4900 1 7 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.535 -0.121 25062 4901 1 7 . 1 1 68 68 ASP C C 68 179.235 179.235 178.609 0.626 25062 4902 1 7 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.306 0.188 25062 4903 1 7 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.811 0.576 25062 4904 1 7 . 1 1 68 68 ASP H H 68 7.999 7.999 7.397 0.602 25062 4905 1 7 . 1 1 69 69 ILE N N 69 119.307 119.307 120.715 -1.408 25062 4906 1 7 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.659 -0.066 25062 4907 1 7 . 1 1 69 69 ILE C C 69 176.927 176.927 177.994 -1.067 25062 4908 1 7 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.239 -0.013 25062 4909 1 7 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.601 0.262 25062 4910 1 7 . 1 1 69 69 ILE H H 69 8.283 8.283 7.917 0.366 25062 4911 1 7 . 1 1 70 70 ALA N N 70 121.395 121.395 122.337 -0.942 25062 4912 1 7 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.717 0.015 25062 4913 1 7 . 1 1 70 70 ALA C C 70 178.770 178.770 179.018 -0.248 25062 4914 1 7 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.097 0.444 25062 4915 1 7 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.648 0.496 25062 4916 1 7 . 1 1 70 70 ALA H H 70 8.200 8.200 7.994 0.206 25062 4917 1 7 . 1 1 71 71 GLU N N 71 116.210 116.210 119.900 -3.690 25062 4918 1 7 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.222 -0.076 25062 4919 1 7 . 1 1 71 71 GLU C C 71 179.215 179.215 178.908 0.307 25062 4920 1 7 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.966 0.467 25062 4921 1 7 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.962 -0.378 25062 4922 1 7 . 1 1 71 71 GLU H H 71 8.402 8.402 7.962 0.440 25062 4923 1 7 . 1 1 72 72 TYR N N 72 121.372 121.372 120.480 0.892 25062 4924 1 7 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.161 0.041 25062 4925 1 7 . 1 1 72 72 TYR C C 72 176.699 176.699 176.996 -0.297 25062 4926 1 7 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.166 0.140 25062 4927 1 7 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.350 -0.111 25062 4928 1 7 . 1 1 72 72 TYR H H 72 8.031 8.031 8.055 -0.024 25062 4929 1 7 . 1 1 73 73 ALA N N 73 119.994 119.994 120.952 -0.958 25062 4930 1 7 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.670 -0.059 25062 4931 1 7 . 1 1 73 73 ALA C C 73 178.786 178.786 178.943 -0.157 25062 4932 1 7 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.374 -0.203 25062 4933 1 7 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.923 0.578 25062 4934 1 7 . 1 1 73 73 ALA H H 73 8.588 8.588 8.199 0.389 25062 4935 1 7 . 1 1 74 74 GLN N N 74 116.775 116.775 117.926 -1.151 25062 4936 1 7 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.096 0.211 25062 4937 1 7 . 1 1 74 74 GLN C C 74 180.672 180.672 177.968 2.704 25062 4938 1 7 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.114 1.062 25062 4939 1 7 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.986 0.211 25062 4940 1 7 . 1 1 74 74 GLN H H 74 8.382 8.382 8.008 0.374 25062 4941 1 7 . 1 1 75 75 LYS N N 75 122.969 122.969 119.685 3.284 25062 4942 1 7 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.060 -0.004 25062 4943 1 7 . 1 1 75 75 LYS C C 75 178.547 178.547 178.483 0.064 25062 4944 1 7 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.382 0.845 25062 4945 1 7 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.109 -0.346 25062 4946 1 7 . 1 1 75 75 LYS H H 75 8.248 8.248 7.666 0.582 25062 4947 1 7 . 1 1 76 76 GLU N N 76 117.058 117.058 115.085 1.973 25062 4948 1 7 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.158 -0.063 25062 4949 1 7 . 1 1 76 76 GLU C C 76 176.070 176.070 176.575 -0.505 25062 4950 1 7 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.259 -0.401 25062 4951 1 7 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.653 0.145 25062 4952 1 7 . 1 1 76 76 GLU H H 76 7.522 7.522 7.570 -0.048 25062 4953 1 7 . 1 1 77 77 GLY N N 77 106.537 106.537 106.845 -0.308 25062 4954 1 7 . 1 1 77 77 GLY C C 77 174.570 174.570 174.588 -0.018 25062 4955 1 7 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.421 0.058 25062 4956 1 7 . 1 1 77 77 GLY H H 77 7.797 7.797 7.392 0.405 25062 4957 1 7 . 1 1 78 78 LEU N N 78 121.257 121.257 119.245 2.012 25062 4958 1 7 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.468 -0.062 25062 4959 1 7 . 1 1 78 78 LEU C C 78 176.139 176.139 176.969 -0.830 25062 4960 1 7 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.502 0.802 25062 4961 1 7 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.292 -1.180 25062 4962 1 7 . 1 1 78 78 LEU H H 78 8.008 8.008 7.563 0.445 25062 4963 1 7 . 1 1 79 79 ARG N N 79 121.135 121.135 121.276 -0.141 25062 4964 1 7 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.293 0.111 25062 4965 1 7 . 1 1 79 79 ARG C C 79 174.598 174.598 175.075 -0.477 25062 4966 1 7 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.434 -0.550 25062 4967 1 7 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.021 1.346 25062 4968 1 7 . 1 1 79 79 ARG H H 79 8.062 8.062 8.275 -0.213 25062 4969 1 7 . 1 1 80 80 VAL N N 80 123.517 123.517 126.264 -2.747 25062 4970 1 7 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.722 0.043 25062 4971 1 7 . 1 1 80 80 VAL C C 80 175.373 175.373 174.982 0.391 25062 4972 1 7 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.700 -0.063 25062 4973 1 7 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.719 1.284 25062 4974 1 7 . 1 1 80 80 VAL H H 80 8.377 8.377 8.713 -0.336 25062 4975 1 7 . 1 1 81 81 ILE N N 81 129.083 129.083 128.718 0.365 25062 4976 1 7 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.847 0.036 25062 4977 1 7 . 1 1 81 81 ILE C C 81 173.899 173.899 175.145 -1.246 25062 4978 1 7 . 1 1 81 81 ILE CA C 81 59.726 59.726 58.495 1.232 25062 4979 1 7 . 1 1 81 81 ILE CB C 81 41.082 41.082 38.540 2.542 25062 4980 1 7 . 1 1 81 81 ILE H H 81 8.812 8.812 8.777 0.035 25062 4981 1 7 . 1 1 82 82 VAL N N 82 126.531 126.531 128.859 -2.328 25062 4982 1 7 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.666 0.321 25062 4983 1 7 . 1 1 82 82 VAL C C 82 174.164 174.164 175.150 -0.986 25062 4984 1 7 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.381 -1.057 25062 4985 1 7 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.963 1.454 25062 4986 1 7 . 1 1 82 82 VAL H H 82 9.085 9.085 8.438 0.647 25062 4987 1 7 . 1 1 83 83 ILE N N 83 127.143 127.143 128.969 -1.826 25062 4988 1 7 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.888 0.016 25062 4989 1 7 . 1 1 83 83 ILE C C 83 174.044 174.044 175.687 -1.643 25062 4990 1 7 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.159 -0.143 25062 4991 1 7 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.041 0.775 25062 4992 1 7 . 1 1 83 83 ILE H H 83 9.391 9.391 8.758 0.633 25062 4993 1 7 . 1 1 84 84 ILE N N 84 126.750 126.750 128.755 -2.005 25062 4994 1 7 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.696 -0.250 25062 4995 1 7 . 1 1 84 84 ILE C C 84 174.788 174.788 175.816 -1.028 25062 4996 1 7 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.697 0.355 25062 4997 1 7 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.412 0.620 25062 4998 1 7 . 1 1 84 84 ILE H H 84 8.714 8.714 8.553 0.161 25062 4999 1 7 . 1 1 85 85 VAL N N 85 127.160 127.160 128.348 -1.188 25062 5000 1 7 . 1 1 85 85 VAL HA H 85 4.979 4.979 5.017 -0.038 25062 5001 1 7 . 1 1 85 85 VAL C C 85 176.539 176.539 174.858 1.681 25062 5002 1 7 . 1 1 85 85 VAL CA C 85 60.062 60.062 60.380 -0.318 25062 5003 1 7 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.426 0.448 25062 5004 1 7 . 1 1 85 85 VAL H H 85 8.464 8.464 8.932 -0.468 25062 5005 1 7 . 1 1 86 86 SER N N 86 121.723 121.723 120.036 1.687 25062 5006 1 7 . 1 1 86 86 SER HA H 86 4.490 4.490 4.801 -0.311 25062 5007 1 7 . 1 1 86 86 SER C C 86 172.447 172.447 173.683 -1.236 25062 5008 1 7 . 1 1 86 86 SER CA C 86 58.131 58.131 57.500 0.631 25062 5009 1 7 . 1 1 86 86 SER CB C 86 64.121 64.121 65.452 -1.331 25062 5010 1 7 . 1 1 86 86 SER H H 86 8.725 8.725 8.027 0.698 25062 5011 1 7 . 1 1 87 87 GLN N N 87 121.657 121.657 122.007 -0.350 25062 5012 1 7 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.323 0.246 25062 5013 1 7 . 1 1 87 87 GLN C C 87 175.732 175.732 175.927 -0.195 25062 5014 1 7 . 1 1 87 87 GLN CA C 87 56.426 56.426 56.866 -0.440 25062 5015 1 7 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.182 -0.063 25062 5016 1 7 . 1 1 87 87 GLN H H 87 8.516 8.516 8.726 -0.210 25062 5017 1 7 . 1 1 88 88 ASP N N 88 121.146 121.146 122.840 -1.694 25062 5018 1 7 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.722 -0.022 25062 5019 1 7 . 1 1 88 88 ASP C C 88 175.752 175.752 176.243 -0.491 25062 5020 1 7 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.718 -1.639 25062 5021 1 7 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.991 0.212 25062 5022 1 7 . 1 1 88 88 ASP H H 88 8.459 8.459 7.653 0.806 25062 5023 1 7 . 1 1 89 89 GLU N N 89 125.736 125.736 124.362 1.374 25062 5024 1 7 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.877 0.057 25062 5025 1 7 . 1 1 89 89 GLU C C 89 178.820 178.820 178.022 0.798 25062 5026 1 7 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.704 -0.160 25062 5027 1 7 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.654 -0.027 25062 5028 1 7 . 1 1 89 89 GLU H H 89 8.840 8.840 8.895 -0.055 25062 5029 1 7 . 1 1 90 90 GLU N N 90 119.813 119.813 118.068 1.745 25062 5030 1 7 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.043 0.193 25062 5031 1 7 . 1 1 90 90 GLU C C 90 178.385 178.385 178.735 -0.350 25062 5032 1 7 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.298 -0.491 25062 5033 1 7 . 1 1 90 90 GLU CB C 90 29.177 29.177 28.820 0.357 25062 5034 1 7 . 1 1 90 90 GLU H H 90 8.300 8.300 8.845 -0.545 25062 5035 1 7 . 1 1 91 91 ALA N N 91 123.211 123.211 121.862 1.349 25062 5036 1 7 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.213 -0.082 25062 5037 1 7 . 1 1 91 91 ALA C C 91 181.895 181.895 179.747 2.148 25062 5038 1 7 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.700 0.000 25062 5039 1 7 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.291 -0.410 25062 5040 1 7 . 1 1 91 91 ALA H H 91 7.670 7.670 7.307 0.363 25062 5041 1 7 . 1 1 92 92 LEU N N 92 118.903 118.903 119.334 -0.431 25062 5042 1 7 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.881 0.124 25062 5043 1 7 . 1 1 92 92 LEU C C 92 177.951 177.951 179.306 -1.355 25062 5044 1 7 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.000 -0.050 25062 5045 1 7 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.657 0.525 25062 5046 1 7 . 1 1 92 92 LEU H H 92 8.190 8.190 7.711 0.479 25062 5047 1 7 . 1 1 93 93 ARG N N 93 118.916 118.916 118.076 0.840 25062 5048 1 7 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.153 -0.055 25062 5049 1 7 . 1 1 93 93 ARG C C 93 178.775 178.775 178.838 -0.063 25062 5050 1 7 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.942 -0.600 25062 5051 1 7 . 1 1 93 93 ARG CB C 93 30.145 30.145 29.987 0.158 25062 5052 1 7 . 1 1 93 93 ARG H H 93 7.868 7.868 8.306 -0.438 25062 5053 1 7 . 1 1 94 94 LYS N N 94 118.989 118.989 119.372 -0.383 25062 5054 1 7 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.112 -0.055 25062 5055 1 7 . 1 1 94 94 LYS C C 94 179.270 179.270 179.058 0.212 25062 5056 1 7 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.783 -0.548 25062 5057 1 7 . 1 1 94 94 LYS CB C 94 32.434 32.434 31.891 0.543 25062 5058 1 7 . 1 1 94 94 LYS H H 94 8.236 8.236 8.052 0.184 25062 5059 1 7 . 1 1 95 95 GLY N N 95 107.084 107.084 107.141 -0.057 25062 5060 1 7 . 1 1 95 95 GLY C C 95 175.285 175.285 175.981 -0.696 25062 5061 1 7 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.542 0.502 25062 5062 1 7 . 1 1 95 95 GLY H H 95 8.296 8.296 7.895 0.401 25062 5063 1 7 . 1 1 96 96 TYR N N 96 121.591 121.591 123.417 -1.826 25062 5064 1 7 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.127 -0.081 25062 5065 1 7 . 1 1 96 96 TYR C C 96 176.428 176.428 177.436 -1.008 25062 5066 1 7 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.178 0.265 25062 5067 1 7 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.519 0.071 25062 5068 1 7 . 1 1 96 96 TYR H H 96 8.372 8.372 8.430 -0.058 25062 5069 1 7 . 1 1 97 97 GLU N N 97 117.883 117.883 117.344 0.539 25062 5070 1 7 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.668 0.163 25062 5071 1 7 . 1 1 97 97 GLU C C 97 178.775 178.775 178.668 0.107 25062 5072 1 7 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.884 0.365 25062 5073 1 7 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.354 0.188 25062 5074 1 7 . 1 1 97 97 GLU H H 97 8.205 8.205 8.051 0.154 25062 5075 1 7 . 1 1 98 98 ASP N N 98 117.644 117.644 120.725 -3.081 25062 5076 1 7 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.337 0.008 25062 5077 1 7 . 1 1 98 98 ASP C C 98 177.978 177.978 178.366 -0.388 25062 5078 1 7 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.283 -0.170 25062 5079 1 7 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.970 1.021 25062 5080 1 7 . 1 1 98 98 ASP H H 98 8.139 8.139 7.765 0.374 25062 5081 1 7 . 1 1 99 99 LYS N N 99 116.691 116.691 118.523 -1.832 25062 5082 1 7 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.092 -0.068 25062 5083 1 7 . 1 1 99 99 LYS C C 99 178.061 178.061 178.882 -0.821 25062 5084 1 7 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.639 -0.633 25062 5085 1 7 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.455 -0.078 25062 5086 1 7 . 1 1 99 99 LYS H H 99 7.886 7.886 7.865 0.021 25062 5087 1 7 . 1 1 100 100 LYS N N 100 120.645 120.645 120.558 0.087 25062 5088 1 7 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.250 -0.176 25062 5089 1 7 . 1 1 100 100 LYS C C 100 180.486 180.486 178.475 2.011 25062 5090 1 7 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.992 -0.809 25062 5091 1 7 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.108 -0.742 25062 5092 1 7 . 1 1 100 100 LYS H H 100 8.395 8.395 7.707 0.688 25062 5093 1 7 . 1 1 101 101 LYS N N 101 119.297 119.297 117.376 1.921 25062 5094 1 7 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.016 0.066 25062 5095 1 7 . 1 1 101 101 LYS C C 101 177.669 177.669 178.530 -0.861 25062 5096 1 7 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.247 0.219 25062 5097 1 7 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.368 -0.123 25062 5098 1 7 . 1 1 101 101 LYS H H 101 7.713 7.713 7.687 0.026 25062 5099 1 7 . 1 1 102 102 LYS N N 102 116.847 116.847 116.293 0.554 25062 5100 1 7 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.071 0.022 25062 5101 1 7 . 1 1 102 102 LYS C C 102 176.357 176.357 176.109 0.248 25062 5102 1 7 . 1 1 102 102 LYS CA C 102 55.789 55.789 56.340 -0.551 25062 5103 1 7 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.423 -0.421 25062 5104 1 7 . 1 1 102 102 LYS H H 102 7.124 7.124 7.248 -0.124 25062 5105 1 7 . 1 1 103 103 GLY N N 103 105.781 105.781 105.889 -0.108 25062 5106 1 7 . 1 1 103 103 GLY C C 103 174.378 174.378 174.286 0.092 25062 5107 1 7 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.663 0.391 25062 5108 1 7 . 1 1 103 103 GLY H H 103 7.771 7.771 7.241 0.530 25062 5109 1 7 . 1 1 104 104 TYR N N 104 119.257 119.257 118.419 0.838 25062 5110 1 7 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.744 0.194 25062 5111 1 7 . 1 1 104 104 TYR C C 104 175.223 175.223 175.193 0.030 25062 5112 1 7 . 1 1 104 104 TYR CA C 104 54.451 54.451 54.996 -0.545 25062 5113 1 7 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.502 -1.757 25062 5114 1 7 . 1 1 104 104 TYR H H 104 6.914 6.914 7.544 -0.630 25062 5115 1 7 . 1 1 105 105 ASP N N 105 122.574 122.574 124.825 -2.251 25062 5116 1 7 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.655 0.126 25062 5117 1 7 . 1 1 105 105 ASP C C 105 174.818 174.818 175.187 -0.369 25062 5118 1 7 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.797 -0.582 25062 5119 1 7 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.825 0.976 25062 5120 1 7 . 1 1 105 105 ASP H H 105 8.223 8.223 8.558 -0.335 25062 5121 1 7 . 1 1 106 106 VAL N N 106 121.990 121.990 122.951 -0.961 25062 5122 1 7 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.761 0.496 25062 5123 1 7 . 1 1 106 106 VAL C C 106 173.835 173.835 175.726 -1.891 25062 5124 1 7 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.666 -0.624 25062 5125 1 7 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.426 1.953 25062 5126 1 7 . 1 1 106 106 VAL H H 106 7.876 7.876 8.021 -0.145 25062 5127 1 7 . 1 1 107 107 TYR N N 107 125.444 125.444 127.465 -2.021 25062 5128 1 7 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.782 0.225 25062 5129 1 7 . 1 1 107 107 TYR C C 107 174.765 174.765 175.232 -0.467 25062 5130 1 7 . 1 1 107 107 TYR CA C 107 56.065 56.065 57.215 -1.151 25062 5131 1 7 . 1 1 107 107 TYR CB C 107 41.889 41.889 40.721 1.168 25062 5132 1 7 . 1 1 107 107 TYR H H 107 9.400 9.400 9.054 0.346 25062 5133 1 7 . 1 1 108 108 THR N N 108 111.100 111.100 115.115 -4.015 25062 5134 1 7 . 1 1 108 108 THR HA H 108 5.212 5.212 4.731 0.481 25062 5135 1 7 . 1 1 108 108 THR C C 108 174.350 174.350 173.695 0.655 25062 5136 1 7 . 1 1 108 108 THR CA C 108 59.514 59.514 60.102 -0.588 25062 5137 1 7 . 1 1 108 108 THR CB C 108 70.911 70.911 70.398 0.513 25062 5138 1 7 . 1 1 108 108 THR H H 108 8.801 8.801 8.373 0.428 25062 5139 1 7 . 1 1 109 109 SER N N 109 114.650 114.650 119.444 -4.794 25062 5140 1 7 . 1 1 109 109 SER HA H 109 4.901 4.901 4.893 0.008 25062 5141 1 7 . 1 1 109 109 SER C C 109 172.399 172.399 173.737 -1.338 25062 5142 1 7 . 1 1 109 109 SER CA C 109 57.974 57.974 56.720 1.254 25062 5143 1 7 . 1 1 109 109 SER CB C 109 67.764 67.764 66.153 1.611 25062 5144 1 7 . 1 1 109 109 SER H H 109 8.565 8.565 8.131 0.434 25062 5145 1 7 . 1 1 110 110 ARG N N 110 119.807 119.807 117.470 2.337 25062 5146 1 7 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.903 0.106 25062 5147 1 7 . 1 1 110 110 ARG C C 110 175.995 175.995 176.562 -0.567 25062 5148 1 7 . 1 1 110 110 ARG CA C 110 56.009 56.009 55.949 0.060 25062 5149 1 7 . 1 1 110 110 ARG CB C 110 31.817 31.817 32.249 -0.432 25062 5150 1 7 . 1 1 110 110 ARG H H 110 8.948 8.948 8.329 0.619 25062 5151 1 7 . 1 1 111 111 ASN N N 111 110.690 110.690 114.269 -3.579 25062 5152 1 7 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.725 -0.092 25062 5153 1 7 . 1 1 111 111 ASN C C 111 174.460 174.460 174.504 -0.044 25062 5154 1 7 . 1 1 111 111 ASN CA C 111 51.370 51.370 53.033 -1.663 25062 5155 1 7 . 1 1 111 111 ASN CB C 111 40.117 40.117 38.600 1.517 25062 5156 1 7 . 1 1 111 111 ASN H H 111 7.426 7.426 7.887 -0.461 25062 5157 1 7 . 1 1 112 112 GLU N N 112 119.451 119.451 119.118 0.333 25062 5158 1 7 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.942 -0.134 25062 5159 1 7 . 1 1 112 112 GLU C C 112 176.445 176.445 177.375 -0.930 25062 5160 1 7 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.929 0.264 25062 5161 1 7 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.334 1.272 25062 5162 1 7 . 1 1 112 112 GLU H H 112 9.529 9.529 8.716 0.813 25062 5163 1 7 . 1 1 113 113 ASP N N 113 120.739 120.739 118.602 2.137 25062 5164 1 7 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.374 -0.005 25062 5165 1 7 . 1 1 113 113 ASP C C 113 179.043 179.043 179.403 -0.360 25062 5166 1 7 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.402 0.703 25062 5167 1 7 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.502 0.445 25062 5168 1 7 . 1 1 113 113 ASP H H 113 8.256 8.256 8.368 -0.112 25062 5169 1 7 . 1 1 114 114 GLU N N 114 119.817 119.817 120.735 -0.918 25062 5170 1 7 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.059 -0.009 25062 5171 1 7 . 1 1 114 114 GLU C C 114 178.770 178.770 178.248 0.522 25062 5172 1 7 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.724 0.516 25062 5173 1 7 . 1 1 114 114 GLU CB C 114 30.656 30.656 28.935 1.721 25062 5174 1 7 . 1 1 114 114 GLU H H 114 8.577 8.577 7.743 0.834 25062 5175 1 7 . 1 1 115 115 ALA N N 115 121.470 121.470 122.801 -1.331 25062 5176 1 7 . 1 1 115 115 ALA HA H 115 4.055 4.055 3.948 0.107 25062 5177 1 7 . 1 1 115 115 ALA C C 115 178.962 178.962 179.215 -0.253 25062 5178 1 7 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.460 -0.247 25062 5179 1 7 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.315 1.542 25062 5180 1 7 . 1 1 115 115 ALA H H 115 8.358 8.358 8.154 0.204 25062 5181 1 7 . 1 1 116 116 LYS N N 116 117.285 117.285 118.500 -1.215 25062 5182 1 7 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.027 -0.369 25062 5183 1 7 . 1 1 116 116 LYS C C 116 178.583 178.583 178.664 -0.081 25062 5184 1 7 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.492 1.425 25062 5185 1 7 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.543 0.268 25062 5186 1 7 . 1 1 116 116 LYS H H 116 8.350 8.350 8.166 0.184 25062 5187 1 7 . 1 1 117 117 LYS N N 117 118.433 118.433 117.624 0.809 25062 5188 1 7 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.108 -0.122 25062 5189 1 7 . 1 1 117 117 LYS C C 117 179.380 179.380 178.988 0.392 25062 5190 1 7 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.171 0.434 25062 5191 1 7 . 1 1 117 117 LYS CB C 117 32.382 32.382 31.943 0.439 25062 5192 1 7 . 1 1 117 117 LYS H H 117 7.345 7.345 7.501 -0.156 25062 5193 1 7 . 1 1 118 118 LYS N N 118 118.166 118.166 119.276 -1.110 25062 5194 1 7 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.906 0.033 25062 5195 1 7 . 1 1 118 118 LYS C C 118 178.088 178.088 178.802 -0.714 25062 5196 1 7 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.514 0.042 25062 5197 1 7 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.583 -0.443 25062 5198 1 7 . 1 1 118 118 LYS H H 118 8.130 8.130 8.088 0.042 25062 5199 1 7 . 1 1 119 119 LEU N N 119 120.654 120.654 121.449 -0.795 25062 5200 1 7 . 1 1 119 119 LEU HA H 119 3.784 3.784 4.017 -0.233 25062 5201 1 7 . 1 1 119 119 LEU C C 119 177.567 177.567 178.164 -0.597 25062 5202 1 7 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.545 0.369 25062 5203 1 7 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.690 0.484 25062 5204 1 7 . 1 1 119 119 LEU H H 119 8.592 8.592 7.800 0.792 25062 5205 1 7 . 1 1 120 120 LYS N N 120 118.314 118.314 119.116 -0.802 25062 5206 1 7 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.654 -0.109 25062 5207 1 7 . 1 1 120 120 LYS C C 120 178.624 178.624 178.909 -0.285 25062 5208 1 7 . 1 1 120 120 LYS CA C 120 60.290 60.290 60.094 0.196 25062 5209 1 7 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.115 -0.351 25062 5210 1 7 . 1 1 120 120 LYS H H 120 7.753 7.753 7.790 -0.037 25062 5211 1 7 . 1 1 121 121 GLU N N 121 118.446 118.446 119.141 -0.695 25062 5212 1 7 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.230 -0.224 25062 5213 1 7 . 1 1 121 121 GLU C C 121 178.744 178.744 178.878 -0.134 25062 5214 1 7 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.042 0.497 25062 5215 1 7 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.447 -0.084 25062 5216 1 7 . 1 1 121 121 GLU H H 121 7.777 7.777 7.982 -0.205 25062 5217 1 7 . 1 1 122 122 ALA N N 122 121.333 121.333 122.102 -0.769 25062 5218 1 7 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.221 -0.265 25062 5219 1 7 . 1 1 122 122 ALA C C 122 179.973 179.973 179.458 0.515 25062 5220 1 7 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.943 0.017 25062 5221 1 7 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.561 -0.133 25062 5222 1 7 . 1 1 122 122 ALA H H 122 8.229 8.229 7.660 0.569 25062 5223 1 7 . 1 1 123 123 LEU N N 123 118.790 118.790 118.787 0.003 25062 5224 1 7 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.153 -0.373 25062 5225 1 7 . 1 1 123 123 LEU C C 123 179.703 179.703 179.519 0.184 25062 5226 1 7 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.284 0.605 25062 5227 1 7 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.933 -1.081 25062 5228 1 7 . 1 1 123 123 LEU H H 123 8.177 8.177 7.777 0.400 25062 5229 1 7 . 1 1 124 124 GLU N N 124 120.881 120.881 118.945 1.936 25062 5230 1 7 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.365 -0.221 25062 5231 1 7 . 1 1 124 124 GLU C C 124 179.732 179.732 178.850 0.882 25062 5232 1 7 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.661 0.778 25062 5233 1 7 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.595 -0.075 25062 5234 1 7 . 1 1 124 124 GLU H H 124 8.393 8.393 8.348 0.045 25062 5235 1 7 . 1 1 125 125 LYS N N 125 119.526 119.526 118.916 0.610 25062 5236 1 7 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.234 0.025 25062 5237 1 7 . 1 1 125 125 LYS C C 125 177.862 177.862 176.323 1.539 25062 5238 1 7 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.889 0.056 25062 5239 1 7 . 1 1 125 125 LYS CB C 125 32.357 32.357 33.129 -0.772 25062 5240 1 7 . 1 1 125 125 LYS H H 125 8.290 8.290 7.945 0.345 25062 5241 1 7 . 1 1 126 126 SER N N 126 114.103 114.103 114.200 -0.097 25062 5242 1 7 . 1 1 126 126 SER HA H 126 4.385 4.385 4.593 -0.208 25062 5243 1 7 . 1 1 126 126 SER C C 126 174.460 174.460 175.690 -1.230 25062 5244 1 7 . 1 1 126 126 SER CA C 126 59.611 59.611 57.679 1.932 25062 5245 1 7 . 1 1 126 126 SER CB C 126 63.479 63.479 64.836 -1.357 25062 5246 1 7 . 1 1 126 126 SER H H 126 7.702 7.702 7.595 0.107 25062 5247 1 7 . 1 1 127 127 GLY N N 127 108.584 108.584 108.461 0.123 25062 5248 1 7 . 1 1 127 127 GLY C C 127 174.103 174.103 173.623 0.480 25062 5249 1 7 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.984 0.452 25062 5250 1 7 . 1 1 127 127 GLY H H 127 7.933 7.933 8.925 -0.992 25062 5251 1 7 . 1 1 128 128 SER N N 128 115.990 115.990 118.151 -2.161 25062 5252 1 7 . 1 1 128 128 SER HA H 128 4.590 4.590 4.561 0.029 25062 5253 1 7 . 1 1 128 128 SER C C 128 174.412 174.412 174.027 0.385 25062 5254 1 7 . 1 1 128 128 SER CA C 128 57.986 57.986 59.363 -1.377 25062 5255 1 7 . 1 1 128 128 SER CB C 128 63.336 63.336 64.925 -1.589 25062 5256 1 7 . 1 1 128 128 SER H H 128 8.091 8.091 7.942 0.149 25062 5257 1 7 . 1 1 129 129 LEU N N 129 125.492 125.492 123.134 2.358 25062 5258 1 7 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.554 -0.113 25062 5259 1 7 . 1 1 129 129 LEU C C 129 177.084 177.084 175.989 1.095 25062 5260 1 7 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.038 0.838 25062 5261 1 7 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.980 -1.671 25062 5262 1 7 . 1 1 129 129 LEU H H 129 8.262 8.262 7.762 0.500 25062 5263 1 7 . 1 1 130 130 GLU N N 130 121.006 121.006 123.110 -2.104 25062 5264 1 7 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.366 -0.391 25062 5265 1 7 . 1 1 130 130 GLU C C 130 176.435 176.435 176.361 0.074 25062 5266 1 7 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.467 0.345 25062 5267 1 7 . 1 1 130 130 GLU CB C 130 30.279 30.279 29.346 0.933 25062 5268 1 7 . 1 1 130 130 GLU H H 130 8.398 8.398 8.716 -0.318 25062 5269 1 7 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.318 0.273 25062 5270 1 7 . 1 1 131 131 HIS C C 131 174.179 174.179 175.287 -1.108 25062 5271 1 7 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.773 -0.624 25062 5272 1 7 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.094 0.737 25062 5273 1 7 . 1 1 132 132 HIS N N 132 125.794 125.794 119.369 6.425 25062 5274 1 7 . 1 1 132 132 HIS HA H 132 4.416 4.416 3.736 0.680 25062 5275 1 7 . 1 1 132 132 HIS C C 132 179.523 179.523 173.797 5.726 25062 5276 1 7 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.710 1.806 25062 5277 1 7 . 1 1 132 132 HIS CB C 132 31.008 31.008 28.659 2.349 25062 5278 1 7 . 1 1 132 132 HIS H H 132 7.935 7.935 7.529 0.406 25062 5279 1 8 . 1 1 2 2 GLY N N 2 109.342 109.342 110.334 -0.992 25062 5280 1 8 . 1 1 2 2 GLY C C 2 172.736 172.736 171.510 1.226 25062 5281 1 8 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.145 0.511 25062 5282 1 8 . 1 1 2 2 GLY H H 2 8.632 8.632 8.199 0.433 25062 5283 1 8 . 1 1 3 3 VAL N N 3 123.457 123.457 119.687 3.770 25062 5284 1 8 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.650 0.331 25062 5285 1 8 . 1 1 3 3 VAL C C 3 173.780 173.780 174.332 -0.552 25062 5286 1 8 . 1 1 3 3 VAL CA C 3 60.350 60.350 60.626 -0.276 25062 5287 1 8 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.752 0.361 25062 5288 1 8 . 1 1 3 3 VAL H H 3 7.516 7.516 7.836 -0.320 25062 5289 1 8 . 1 1 4 4 VAL N N 4 125.375 125.375 127.556 -2.181 25062 5290 1 8 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.586 -0.055 25062 5291 1 8 . 1 1 4 4 VAL C C 4 173.185 173.185 175.100 -1.915 25062 5292 1 8 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.371 -0.870 25062 5293 1 8 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.912 0.883 25062 5294 1 8 . 1 1 4 4 VAL H H 4 8.810 8.810 8.841 -0.031 25062 5295 1 8 . 1 1 5 5 ILE N N 5 127.180 127.180 128.900 -1.720 25062 5296 1 8 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.699 0.170 25062 5297 1 8 . 1 1 5 5 ILE C C 5 174.303 174.303 175.040 -0.737 25062 5298 1 8 . 1 1 5 5 ILE CA C 5 59.410 59.410 59.903 -0.493 25062 5299 1 8 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.164 0.479 25062 5300 1 8 . 1 1 5 5 ILE H H 5 8.800 8.800 8.974 -0.174 25062 5301 1 8 . 1 1 6 6 LEU N N 6 129.025 129.025 129.545 -0.520 25062 5302 1 8 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.643 0.370 25062 5303 1 8 . 1 1 6 6 LEU C C 6 174.847 174.847 176.032 -1.185 25062 5304 1 8 . 1 1 6 6 LEU CA C 6 53.468 53.468 54.054 -0.586 25062 5305 1 8 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.063 2.230 25062 5306 1 8 . 1 1 6 6 LEU H H 6 9.424 9.424 8.817 0.607 25062 5307 1 8 . 1 1 7 7 VAL N N 7 123.364 123.364 126.799 -3.435 25062 5308 1 8 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.500 0.157 25062 5309 1 8 . 1 1 7 7 VAL C C 7 174.210 174.210 175.318 -1.108 25062 5310 1 8 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.750 -0.923 25062 5311 1 8 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.032 0.221 25062 5312 1 8 . 1 1 7 7 VAL H H 7 8.653 8.653 8.946 -0.293 25062 5313 1 8 . 1 1 8 8 LEU N N 8 130.560 130.560 132.022 -1.462 25062 5314 1 8 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.955 0.341 25062 5315 1 8 . 1 1 8 8 LEU C C 8 175.744 175.744 176.695 -0.951 25062 5316 1 8 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.312 -0.426 25062 5317 1 8 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.250 1.246 25062 5318 1 8 . 1 1 8 8 LEU H H 8 9.069 9.069 8.601 0.468 25062 5319 1 8 . 1 1 9 9 THR N N 9 112.810 112.810 114.992 -2.182 25062 5320 1 8 . 1 1 9 9 THR HA H 9 4.959 4.959 5.085 -0.126 25062 5321 1 8 . 1 1 9 9 THR C C 9 174.213 174.213 176.082 -1.869 25062 5322 1 8 . 1 1 9 9 THR CA C 9 59.948 59.948 59.658 0.290 25062 5323 1 8 . 1 1 9 9 THR CB C 9 70.756 70.756 71.242 -0.486 25062 5324 1 8 . 1 1 9 9 THR H H 9 8.028 8.028 8.656 -0.628 25062 5325 1 8 . 1 1 10 10 GLY N N 10 107.740 107.740 110.521 -2.781 25062 5326 1 8 . 1 1 10 10 GLY C C 10 173.064 173.064 173.866 -0.802 25062 5327 1 8 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.967 -0.537 25062 5328 1 8 . 1 1 10 10 GLY H H 10 7.827 7.827 8.405 -0.578 25062 5329 1 8 . 1 1 11 11 ASP N N 11 119.119 119.119 119.289 -0.170 25062 5330 1 8 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.882 -0.029 25062 5331 1 8 . 1 1 11 11 ASP C C 11 176.118 176.118 175.971 0.147 25062 5332 1 8 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.596 -0.624 25062 5333 1 8 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.393 -0.152 25062 5334 1 8 . 1 1 11 11 ASP H H 11 7.642 7.642 7.911 -0.269 25062 5335 1 8 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.907 0.193 25062 5336 1 8 . 1 1 12 12 GLU C C 12 178.508 178.508 178.295 0.213 25062 5337 1 8 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.486 -1.022 25062 5338 1 8 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.823 -0.490 25062 5339 1 8 . 1 1 13 13 ARG N N 13 121.589 121.589 119.766 1.823 25062 5340 1 8 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.029 0.108 25062 5341 1 8 . 1 1 13 13 ARG C C 13 179.625 179.625 178.105 1.520 25062 5342 1 8 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.920 0.498 25062 5343 1 8 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.133 0.222 25062 5344 1 8 . 1 1 13 13 ARG H H 13 8.593 8.593 8.425 0.168 25062 5345 1 8 . 1 1 14 14 ILE N N 14 119.911 119.911 119.250 0.661 25062 5346 1 8 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.646 0.004 25062 5347 1 8 . 1 1 14 14 ILE C C 14 177.727 177.727 177.377 0.350 25062 5348 1 8 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.755 0.403 25062 5349 1 8 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.619 -0.280 25062 5350 1 8 . 1 1 14 14 ILE H H 14 7.823 7.823 7.359 0.464 25062 5351 1 8 . 1 1 15 15 ALA N N 15 121.015 121.015 121.259 -0.244 25062 5352 1 8 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.651 0.068 25062 5353 1 8 . 1 1 15 15 ALA C C 15 178.994 178.994 179.177 -0.183 25062 5354 1 8 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.971 0.919 25062 5355 1 8 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.698 0.153 25062 5356 1 8 . 1 1 15 15 ALA H H 15 7.610 7.610 7.515 0.095 25062 5357 1 8 . 1 1 16 16 GLU N N 16 117.655 117.655 118.361 -0.706 25062 5358 1 8 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.837 0.297 25062 5359 1 8 . 1 1 16 16 GLU C C 16 178.517 178.517 178.828 -0.311 25062 5360 1 8 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.063 -0.784 25062 5361 1 8 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.446 -0.224 25062 5362 1 8 . 1 1 16 16 GLU H H 16 7.808 7.808 7.940 -0.132 25062 5363 1 8 . 1 1 17 17 GLU N N 17 119.648 119.648 118.903 0.745 25062 5364 1 8 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.087 -0.033 25062 5365 1 8 . 1 1 17 17 GLU C C 17 180.213 180.213 179.519 0.694 25062 5366 1 8 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.679 0.555 25062 5367 1 8 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.379 -0.227 25062 5368 1 8 . 1 1 17 17 GLU H H 17 8.002 8.002 7.796 0.206 25062 5369 1 8 . 1 1 18 18 LEU N N 18 119.118 119.118 119.684 -0.566 25062 5370 1 8 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.197 -0.097 25062 5371 1 8 . 1 1 18 18 LEU C C 18 178.233 178.233 179.065 -0.832 25062 5372 1 8 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.364 0.442 25062 5373 1 8 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.841 -0.970 25062 5374 1 8 . 1 1 18 18 LEU H H 18 8.554 8.554 8.315 0.239 25062 5375 1 8 . 1 1 19 19 ARG N N 19 122.158 122.158 120.038 2.120 25062 5376 1 8 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.258 -0.443 25062 5377 1 8 . 1 1 19 19 ARG C C 19 178.686 178.686 178.327 0.359 25062 5378 1 8 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.272 1.644 25062 5379 1 8 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.787 -0.448 25062 5380 1 8 . 1 1 19 19 ARG H H 19 8.274 8.274 7.715 0.559 25062 5381 1 8 . 1 1 20 20 LYS N N 20 118.130 118.130 116.951 1.179 25062 5382 1 8 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.090 -0.155 25062 5383 1 8 . 1 1 20 20 LYS C C 20 179.078 179.078 178.617 0.461 25062 5384 1 8 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.531 0.222 25062 5385 1 8 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.800 0.640 25062 5386 1 8 . 1 1 20 20 LYS H H 20 7.977 7.977 7.995 -0.018 25062 5387 1 8 . 1 1 21 21 GLU N N 21 120.451 120.451 120.152 0.299 25062 5388 1 8 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.194 -0.139 25062 5389 1 8 . 1 1 21 21 GLU C C 21 178.995 178.995 178.822 0.173 25062 5390 1 8 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.526 0.577 25062 5391 1 8 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.135 0.028 25062 5392 1 8 . 1 1 21 21 GLU H H 21 7.813 7.813 7.510 0.303 25062 5393 1 8 . 1 1 22 22 VAL N N 22 119.654 119.654 120.255 -0.601 25062 5394 1 8 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.602 -0.162 25062 5395 1 8 . 1 1 22 22 VAL C C 22 176.428 176.428 177.991 -1.563 25062 5396 1 8 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.407 -0.286 25062 5397 1 8 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.607 -0.155 25062 5398 1 8 . 1 1 22 22 VAL H H 22 8.146 8.146 7.988 0.158 25062 5399 1 8 . 1 1 23 23 GLN N N 23 116.884 116.884 117.217 -0.333 25062 5400 1 8 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.068 -0.116 25062 5401 1 8 . 1 1 23 23 GLN C C 23 177.429 177.429 176.631 0.798 25062 5402 1 8 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.285 0.482 25062 5403 1 8 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.658 -0.107 25062 5404 1 8 . 1 1 23 23 GLN H H 23 7.588 7.588 7.569 0.019 25062 5405 1 8 . 1 1 24 24 LYS N N 24 116.529 116.529 116.604 -0.075 25062 5406 1 8 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.156 -0.160 25062 5407 1 8 . 1 1 24 24 LYS C C 24 177.508 177.508 178.325 -0.817 25062 5408 1 8 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.774 0.640 25062 5409 1 8 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.323 0.594 25062 5410 1 8 . 1 1 24 24 LYS H H 24 7.544 7.544 7.461 0.083 25062 5411 1 8 . 1 1 25 25 HIS N N 25 119.657 119.657 118.932 0.725 25062 5412 1 8 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.311 -0.058 25062 5413 1 8 . 1 1 25 25 HIS C C 25 175.915 175.915 174.661 1.254 25062 5414 1 8 . 1 1 25 25 HIS CA C 25 59.442 59.442 59.369 0.073 25062 5415 1 8 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.288 0.583 25062 5416 1 8 . 1 1 25 25 HIS H H 25 7.809 7.809 7.871 -0.062 25062 5417 1 8 . 1 1 26 26 ASP N N 26 113.221 113.221 114.299 -1.078 25062 5418 1 8 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.019 -0.284 25062 5419 1 8 . 1 1 26 26 ASP C C 26 173.856 173.856 174.526 -0.670 25062 5420 1 8 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.794 -0.124 25062 5421 1 8 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.488 -1.122 25062 5422 1 8 . 1 1 26 26 ASP H H 26 8.358 8.358 8.318 0.040 25062 5423 1 8 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.497 0.069 25062 5424 1 8 . 1 1 27 27 PRO C C 27 176.845 176.845 176.887 -0.042 25062 5425 1 8 . 1 1 27 27 PRO CA C 27 63.877 63.877 64.153 -0.276 25062 5426 1 8 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.405 -0.120 25062 5427 1 8 . 1 1 28 28 ASN N N 28 115.529 115.529 116.589 -1.060 25062 5428 1 8 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.726 -0.054 25062 5429 1 8 . 1 1 28 28 ASN C C 28 175.632 175.632 175.430 0.202 25062 5430 1 8 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.618 0.197 25062 5431 1 8 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.253 -0.159 25062 5432 1 8 . 1 1 28 28 ASN H H 28 8.570 8.570 8.055 0.515 25062 5433 1 8 . 1 1 29 29 VAL N N 29 121.867 121.867 121.595 0.272 25062 5434 1 8 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.819 0.065 25062 5435 1 8 . 1 1 29 29 VAL C C 29 175.085 175.085 175.706 -0.621 25062 5436 1 8 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.445 -0.270 25062 5437 1 8 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.304 0.694 25062 5438 1 8 . 1 1 29 29 VAL H H 29 7.465 7.465 7.510 -0.045 25062 5439 1 8 . 1 1 30 30 LYS N N 30 130.242 130.242 128.889 1.353 25062 5440 1 8 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.421 0.013 25062 5441 1 8 . 1 1 30 30 LYS C C 30 175.093 175.093 175.941 -0.848 25062 5442 1 8 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.097 0.276 25062 5443 1 8 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.879 -0.452 25062 5444 1 8 . 1 1 30 30 LYS H H 30 9.036 9.036 8.494 0.542 25062 5445 1 8 . 1 1 31 31 THR N N 31 113.173 113.173 114.826 -1.653 25062 5446 1 8 . 1 1 31 31 THR HA H 31 5.688 5.688 5.310 0.378 25062 5447 1 8 . 1 1 31 31 THR C C 31 174.708 174.708 174.521 0.187 25062 5448 1 8 . 1 1 31 31 THR CA C 31 58.537 58.537 60.095 -1.558 25062 5449 1 8 . 1 1 31 31 THR CB C 31 71.419 71.419 70.247 1.172 25062 5450 1 8 . 1 1 31 31 THR H H 31 8.185 8.185 8.387 -0.202 25062 5451 1 8 . 1 1 32 32 VAL N N 32 122.168 122.168 125.357 -3.189 25062 5452 1 8 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.635 0.260 25062 5453 1 8 . 1 1 32 32 VAL C C 32 173.388 173.388 174.058 -0.670 25062 5454 1 8 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.888 -0.155 25062 5455 1 8 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.098 -0.194 25062 5456 1 8 . 1 1 32 32 VAL H H 32 8.968 8.968 8.720 0.248 25062 5457 1 8 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.880 0.094 25062 5458 1 8 . 1 1 33 33 PRO C C 33 177.848 177.848 177.900 -0.052 25062 5459 1 8 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.656 -0.314 25062 5460 1 8 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.354 0.667 25062 5461 1 8 . 1 1 34 34 THR N N 34 114.266 114.266 110.790 3.476 25062 5462 1 8 . 1 1 34 34 THR HA H 34 4.118 4.118 4.147 -0.029 25062 5463 1 8 . 1 1 34 34 THR C C 34 176.879 176.879 176.857 0.022 25062 5464 1 8 . 1 1 34 34 THR CA C 34 64.607 64.607 65.351 -0.744 25062 5465 1 8 . 1 1 34 34 THR CB C 34 68.311 68.311 68.848 -0.537 25062 5466 1 8 . 1 1 34 34 THR H H 34 9.033 9.033 8.760 0.273 25062 5467 1 8 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.180 0.065 25062 5468 1 8 . 1 1 35 35 LYS C C 35 176.639 176.639 177.192 -0.553 25062 5469 1 8 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.328 -0.194 25062 5470 1 8 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.142 0.162 25062 5471 1 8 . 1 1 36 36 ASP N N 36 120.993 120.993 118.553 2.440 25062 5472 1 8 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.805 0.210 25062 5473 1 8 . 1 1 36 36 ASP C C 36 176.202 176.202 175.990 0.212 25062 5474 1 8 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.671 -0.235 25062 5475 1 8 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.288 0.822 25062 5476 1 8 . 1 1 36 36 ASP H H 36 7.726 7.726 7.579 0.147 25062 5477 1 8 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.899 0.089 25062 5478 1 8 . 1 1 37 37 LYS C C 37 177.948 177.948 177.770 0.178 25062 5479 1 8 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.691 -0.383 25062 5480 1 8 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.527 0.321 25062 5481 1 8 . 1 1 38 38 GLU N N 38 119.141 119.141 117.638 1.503 25062 5482 1 8 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.027 0.223 25062 5483 1 8 . 1 1 38 38 GLU C C 38 178.054 178.054 178.407 -0.353 25062 5484 1 8 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.109 -0.607 25062 5485 1 8 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.256 -0.049 25062 5486 1 8 . 1 1 38 38 GLU H H 38 8.883 8.883 8.714 0.169 25062 5487 1 8 . 1 1 39 39 LYS N N 39 118.440 118.440 118.310 0.130 25062 5488 1 8 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.148 0.359 25062 5489 1 8 . 1 1 39 39 LYS C C 39 177.126 177.126 178.553 -1.427 25062 5490 1 8 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.071 -1.764 25062 5491 1 8 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.544 0.880 25062 5492 1 8 . 1 1 39 39 LYS H H 39 8.064 8.064 7.298 0.766 25062 5493 1 8 . 1 1 40 40 VAL N N 40 118.130 118.130 120.858 -2.728 25062 5494 1 8 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.518 -0.123 25062 5495 1 8 . 1 1 40 40 VAL C C 40 176.934 176.934 177.490 -0.556 25062 5496 1 8 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.402 0.219 25062 5497 1 8 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.399 0.256 25062 5498 1 8 . 1 1 40 40 VAL H H 40 7.308 7.308 7.760 -0.452 25062 5499 1 8 . 1 1 41 41 LYS N N 41 118.555 118.555 118.734 -0.179 25062 5500 1 8 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.704 -0.061 25062 5501 1 8 . 1 1 41 41 LYS C C 41 178.363 178.363 178.494 -0.131 25062 5502 1 8 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.707 1.580 25062 5503 1 8 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.818 -0.364 25062 5504 1 8 . 1 1 41 41 LYS H H 41 8.150 8.150 8.162 -0.012 25062 5505 1 8 . 1 1 42 42 GLU N N 42 119.454 119.454 118.471 0.983 25062 5506 1 8 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.031 0.067 25062 5507 1 8 . 1 1 42 42 GLU C C 42 179.552 179.552 179.215 0.337 25062 5508 1 8 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.274 -0.018 25062 5509 1 8 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.114 0.480 25062 5510 1 8 . 1 1 42 42 GLU H H 42 8.067 8.067 7.931 0.136 25062 5511 1 8 . 1 1 43 43 GLU N N 43 118.427 118.427 118.808 -0.381 25062 5512 1 8 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.177 0.118 25062 5513 1 8 . 1 1 43 43 GLU C C 43 180.076 180.076 179.429 0.647 25062 5514 1 8 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.347 0.108 25062 5515 1 8 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.302 -0.657 25062 5516 1 8 . 1 1 43 43 GLU H H 43 8.189 8.189 7.931 0.258 25062 5517 1 8 . 1 1 44 44 ILE N N 44 122.905 122.905 121.504 1.401 25062 5518 1 8 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.700 -0.065 25062 5519 1 8 . 1 1 44 44 ILE C C 44 176.828 176.828 177.703 -0.875 25062 5520 1 8 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.916 0.481 25062 5521 1 8 . 1 1 44 44 ILE CB C 44 37.539 37.539 38.083 -0.544 25062 5522 1 8 . 1 1 44 44 ILE H H 44 8.734 8.734 8.426 0.308 25062 5523 1 8 . 1 1 45 45 GLU N N 45 120.098 120.098 120.378 -0.280 25062 5524 1 8 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.019 0.120 25062 5525 1 8 . 1 1 45 45 GLU C C 45 178.930 178.930 178.726 0.204 25062 5526 1 8 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.320 0.169 25062 5527 1 8 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.715 -0.567 25062 5528 1 8 . 1 1 45 45 GLU H H 45 8.099 8.099 8.008 0.091 25062 5529 1 8 . 1 1 46 46 LYS N N 46 118.360 118.360 119.647 -1.287 25062 5530 1 8 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.096 -0.087 25062 5531 1 8 . 1 1 46 46 LYS C C 46 178.775 178.775 178.575 0.200 25062 5532 1 8 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.357 0.545 25062 5533 1 8 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.476 0.226 25062 5534 1 8 . 1 1 46 46 LYS H H 46 7.854 7.854 7.960 -0.106 25062 5535 1 8 . 1 1 47 47 ALA N N 47 122.551 122.551 121.969 0.582 25062 5536 1 8 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.019 0.109 25062 5537 1 8 . 1 1 47 47 ALA C C 47 180.095 180.095 179.308 0.787 25062 5538 1 8 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.129 0.274 25062 5539 1 8 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.329 -0.625 25062 5540 1 8 . 1 1 47 47 ALA H H 47 8.135 8.135 7.942 0.193 25062 5541 1 8 . 1 1 48 48 ARG N N 48 118.945 118.945 119.133 -0.188 25062 5542 1 8 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.177 -0.120 25062 5543 1 8 . 1 1 48 48 ARG C C 48 179.960 179.960 178.439 1.521 25062 5544 1 8 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.102 0.185 25062 5545 1 8 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.233 -0.781 25062 5546 1 8 . 1 1 48 48 ARG H H 48 8.655 8.655 8.288 0.367 25062 5547 1 8 . 1 1 49 49 LYS N N 49 119.557 119.557 118.429 1.128 25062 5548 1 8 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.116 -0.059 25062 5549 1 8 . 1 1 49 49 LYS C C 49 178.288 178.288 178.805 -0.517 25062 5550 1 8 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.518 0.452 25062 5551 1 8 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.163 0.490 25062 5552 1 8 . 1 1 49 49 LYS H H 49 8.058 8.058 7.514 0.544 25062 5553 1 8 . 1 1 50 50 GLN N N 50 115.215 115.215 115.237 -0.022 25062 5554 1 8 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.356 0.021 25062 5555 1 8 . 1 1 50 50 GLN C C 50 176.439 176.439 176.792 -0.353 25062 5556 1 8 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.439 0.534 25062 5557 1 8 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.352 0.456 25062 5558 1 8 . 1 1 50 50 GLN H H 50 7.938 7.938 7.870 0.068 25062 5559 1 8 . 1 1 51 51 GLY N N 51 109.413 109.413 108.598 0.815 25062 5560 1 8 . 1 1 51 51 GLY C C 51 174.570 174.570 174.002 0.568 25062 5561 1 8 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.604 0.991 25062 5562 1 8 . 1 1 51 51 GLY H H 51 8.070 8.070 7.815 0.255 25062 5563 1 8 . 1 1 52 52 ARG N N 52 119.414 119.414 119.742 -0.328 25062 5564 1 8 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.904 -0.002 25062 5565 1 8 . 1 1 52 52 ARG C C 52 173.093 173.093 174.160 -1.067 25062 5566 1 8 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.554 0.423 25062 5567 1 8 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.170 0.240 25062 5568 1 8 . 1 1 52 52 ARG H H 52 7.950 7.950 8.178 -0.228 25062 5569 1 8 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.225 -0.151 25062 5570 1 8 . 1 1 53 53 PRO C C 53 174.179 174.179 175.779 -1.600 25062 5571 1 8 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.279 -0.301 25062 5572 1 8 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.150 -0.616 25062 5573 1 8 . 1 1 54 54 ILE N N 54 115.161 115.161 120.121 -4.960 25062 5574 1 8 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.704 0.254 25062 5575 1 8 . 1 1 54 54 ILE C C 54 172.097 172.097 173.564 -1.467 25062 5576 1 8 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.438 -0.665 25062 5577 1 8 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.620 0.116 25062 5578 1 8 . 1 1 54 54 ILE H H 54 7.718 7.718 8.462 -0.744 25062 5579 1 8 . 1 1 55 55 VAL N N 55 126.019 126.019 129.837 -3.818 25062 5580 1 8 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.312 0.568 25062 5581 1 8 . 1 1 55 55 VAL C C 55 173.844 173.844 174.553 -0.709 25062 5582 1 8 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.318 -1.025 25062 5583 1 8 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.386 1.882 25062 5584 1 8 . 1 1 55 55 VAL H H 55 8.352 8.352 8.524 -0.172 25062 5585 1 8 . 1 1 56 56 VAL N N 56 127.584 127.584 127.262 0.322 25062 5586 1 8 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.366 0.075 25062 5587 1 8 . 1 1 56 56 VAL C C 56 173.968 173.968 174.899 -0.931 25062 5588 1 8 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.016 -0.473 25062 5589 1 8 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.684 1.696 25062 5590 1 8 . 1 1 56 56 VAL H H 56 9.291 9.291 8.575 0.716 25062 5591 1 8 . 1 1 57 57 PHE N N 57 125.432 125.432 126.413 -0.981 25062 5592 1 8 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.014 -0.084 25062 5593 1 8 . 1 1 57 57 PHE C C 57 174.987 174.987 174.693 0.294 25062 5594 1 8 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.566 1.642 25062 5595 1 8 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.706 0.180 25062 5596 1 8 . 1 1 57 57 PHE H H 57 8.585 8.585 8.796 -0.211 25062 5597 1 8 . 1 1 58 58 VAL N N 58 123.763 123.763 121.558 2.205 25062 5598 1 8 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.402 -0.200 25062 5599 1 8 . 1 1 58 58 VAL C C 58 174.791 174.791 175.259 -0.468 25062 5600 1 8 . 1 1 58 58 VAL CA C 58 60.881 60.881 59.805 1.076 25062 5601 1 8 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.822 -0.110 25062 5602 1 8 . 1 1 58 58 VAL H H 58 9.008 9.008 8.748 0.260 25062 5603 1 8 . 1 1 59 59 ARG N N 59 127.924 127.924 123.567 4.357 25062 5604 1 8 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.905 -0.323 25062 5605 1 8 . 1 1 59 59 ARG C C 59 177.755 177.755 177.314 0.441 25062 5606 1 8 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.972 0.565 25062 5607 1 8 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.452 -0.939 25062 5608 1 8 . 1 1 59 59 ARG H H 59 8.820 8.820 8.580 0.240 25062 5609 1 8 . 1 1 60 60 GLY N N 60 110.441 110.441 108.019 2.422 25062 5610 1 8 . 1 1 60 60 GLY C C 60 174.818 174.818 175.086 -0.268 25062 5611 1 8 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.337 0.651 25062 5612 1 8 . 1 1 60 60 GLY H H 60 8.200 8.200 8.269 -0.069 25062 5613 1 8 . 1 1 61 61 GLY N N 61 109.411 109.411 107.529 1.882 25062 5614 1 8 . 1 1 61 61 GLY C C 61 174.550 174.550 175.117 -0.567 25062 5615 1 8 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.016 0.415 25062 5616 1 8 . 1 1 61 61 GLY H H 61 7.995 7.995 8.469 -0.474 25062 5617 1 8 . 1 1 62 62 ASP N N 62 122.920 122.920 122.130 0.790 25062 5618 1 8 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.690 0.331 25062 5619 1 8 . 1 1 62 62 ASP C C 62 176.247 176.247 175.202 1.045 25062 5620 1 8 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.326 -1.799 25062 5621 1 8 . 1 1 62 62 ASP CB C 62 39.815 39.815 39.327 0.488 25062 5622 1 8 . 1 1 62 62 ASP H H 62 8.090 8.090 7.520 0.570 25062 5623 1 8 . 1 1 63 63 ASP N N 63 121.058 121.058 121.679 -0.621 25062 5624 1 8 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.279 -0.013 25062 5625 1 8 . 1 1 63 63 ASP C C 63 178.418 178.418 177.654 0.764 25062 5626 1 8 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.904 -0.563 25062 5627 1 8 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.463 0.109 25062 5628 1 8 . 1 1 63 63 ASP H H 63 8.023 8.023 7.718 0.305 25062 5629 1 8 . 1 1 64 64 GLU N N 64 119.564 119.564 119.140 0.424 25062 5630 1 8 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.970 0.081 25062 5631 1 8 . 1 1 64 64 GLU C C 64 178.321 178.321 178.925 -0.604 25062 5632 1 8 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.900 -0.518 25062 5633 1 8 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.132 -0.088 25062 5634 1 8 . 1 1 64 64 GLU H H 64 8.760 8.760 8.906 -0.146 25062 5635 1 8 . 1 1 65 65 ARG N N 65 119.839 119.839 118.726 1.113 25062 5636 1 8 . 1 1 65 65 ARG HA H 65 4.196 4.196 3.968 0.228 25062 5637 1 8 . 1 1 65 65 ARG C C 65 178.305 178.305 178.686 -0.381 25062 5638 1 8 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.220 -0.168 25062 5639 1 8 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.760 0.877 25062 5640 1 8 . 1 1 65 65 ARG H H 65 7.643 7.643 8.410 -0.767 25062 5641 1 8 . 1 1 66 66 ALA N N 66 118.984 118.984 121.818 -2.834 25062 5642 1 8 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.078 -0.212 25062 5643 1 8 . 1 1 66 66 ALA C C 66 178.638 178.638 179.276 -0.638 25062 5644 1 8 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.266 0.200 25062 5645 1 8 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.316 0.045 25062 5646 1 8 . 1 1 66 66 ALA H H 66 7.782 7.782 8.048 -0.266 25062 5647 1 8 . 1 1 67 67 LYS N N 67 117.711 117.711 116.806 0.905 25062 5648 1 8 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.153 -0.134 25062 5649 1 8 . 1 1 67 67 LYS C C 67 178.363 178.363 178.868 -0.505 25062 5650 1 8 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.113 0.460 25062 5651 1 8 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.331 -0.107 25062 5652 1 8 . 1 1 67 67 LYS H H 67 8.010 8.010 7.683 0.327 25062 5653 1 8 . 1 1 68 68 ASP N N 68 119.581 119.581 121.209 -1.628 25062 5654 1 8 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.588 -0.174 25062 5655 1 8 . 1 1 68 68 ASP C C 68 179.235 179.235 178.620 0.615 25062 5656 1 8 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.417 0.077 25062 5657 1 8 . 1 1 68 68 ASP CB C 68 41.387 41.387 41.064 0.323 25062 5658 1 8 . 1 1 68 68 ASP H H 68 7.999 7.999 8.389 -0.390 25062 5659 1 8 . 1 1 69 69 ILE N N 69 119.307 119.307 120.286 -0.979 25062 5660 1 8 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.824 -0.231 25062 5661 1 8 . 1 1 69 69 ILE C C 69 176.927 176.927 177.710 -0.783 25062 5662 1 8 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.602 0.624 25062 5663 1 8 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.767 0.096 25062 5664 1 8 . 1 1 69 69 ILE H H 69 8.283 8.283 7.816 0.467 25062 5665 1 8 . 1 1 70 70 ALA N N 70 121.395 121.395 122.390 -0.995 25062 5666 1 8 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.751 -0.019 25062 5667 1 8 . 1 1 70 70 ALA C C 70 178.770 178.770 179.194 -0.424 25062 5668 1 8 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.075 0.466 25062 5669 1 8 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.567 0.577 25062 5670 1 8 . 1 1 70 70 ALA H H 70 8.200 8.200 7.946 0.254 25062 5671 1 8 . 1 1 71 71 GLU N N 71 116.210 116.210 120.281 -4.071 25062 5672 1 8 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.222 -0.076 25062 5673 1 8 . 1 1 71 71 GLU C C 71 179.215 179.215 178.502 0.713 25062 5674 1 8 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.898 0.535 25062 5675 1 8 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.413 0.171 25062 5676 1 8 . 1 1 71 71 GLU H H 71 8.402 8.402 7.826 0.576 25062 5677 1 8 . 1 1 72 72 TYR N N 72 121.372 121.372 120.886 0.486 25062 5678 1 8 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.083 0.119 25062 5679 1 8 . 1 1 72 72 TYR C C 72 176.699 176.699 177.499 -0.800 25062 5680 1 8 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.812 -0.506 25062 5681 1 8 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.309 -0.070 25062 5682 1 8 . 1 1 72 72 TYR H H 72 8.031 8.031 8.187 -0.155 25062 5683 1 8 . 1 1 73 73 ALA N N 73 119.994 119.994 119.765 0.229 25062 5684 1 8 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.806 -0.195 25062 5685 1 8 . 1 1 73 73 ALA C C 73 178.786 178.786 179.436 -0.650 25062 5686 1 8 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.063 0.108 25062 5687 1 8 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.990 0.511 25062 5688 1 8 . 1 1 73 73 ALA H H 73 8.588 8.588 8.148 0.440 25062 5689 1 8 . 1 1 74 74 GLN N N 74 116.775 116.775 117.798 -1.023 25062 5690 1 8 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.247 0.060 25062 5691 1 8 . 1 1 74 74 GLN C C 74 180.672 180.672 178.316 2.356 25062 5692 1 8 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.328 0.848 25062 5693 1 8 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.922 0.275 25062 5694 1 8 . 1 1 74 74 GLN H H 74 8.382 8.382 7.792 0.590 25062 5695 1 8 . 1 1 75 75 LYS N N 75 122.969 122.969 118.199 4.770 25062 5696 1 8 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.044 0.012 25062 5697 1 8 . 1 1 75 75 LYS C C 75 178.547 178.547 178.488 0.059 25062 5698 1 8 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.222 1.005 25062 5699 1 8 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.116 -0.353 25062 5700 1 8 . 1 1 75 75 LYS H H 75 8.248 8.248 7.823 0.425 25062 5701 1 8 . 1 1 76 76 GLU N N 76 117.058 117.058 115.437 1.621 25062 5702 1 8 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.130 -0.035 25062 5703 1 8 . 1 1 76 76 GLU C C 76 176.070 176.070 177.067 -0.997 25062 5704 1 8 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.256 -0.398 25062 5705 1 8 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.665 0.133 25062 5706 1 8 . 1 1 76 76 GLU H H 76 7.522 7.522 7.563 -0.041 25062 5707 1 8 . 1 1 77 77 GLY N N 77 106.537 106.537 107.691 -1.154 25062 5708 1 8 . 1 1 77 77 GLY C C 77 174.570 174.570 173.895 0.675 25062 5709 1 8 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.459 0.020 25062 5710 1 8 . 1 1 77 77 GLY H H 77 7.797 7.797 7.616 0.181 25062 5711 1 8 . 1 1 78 78 LEU N N 78 121.257 121.257 118.226 3.031 25062 5712 1 8 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.640 -0.234 25062 5713 1 8 . 1 1 78 78 LEU C C 78 176.139 176.139 176.292 -0.153 25062 5714 1 8 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.157 1.147 25062 5715 1 8 . 1 1 78 78 LEU CB C 78 42.112 42.112 44.173 -2.062 25062 5716 1 8 . 1 1 78 78 LEU H H 78 8.008 8.008 7.479 0.529 25062 5717 1 8 . 1 1 79 79 ARG N N 79 121.135 121.135 122.051 -0.916 25062 5718 1 8 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.341 0.063 25062 5719 1 8 . 1 1 79 79 ARG C C 79 174.598 174.598 175.446 -0.848 25062 5720 1 8 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.273 0.611 25062 5721 1 8 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.056 1.311 25062 5722 1 8 . 1 1 79 79 ARG H H 79 8.062 8.062 8.200 -0.138 25062 5723 1 8 . 1 1 80 80 VAL N N 80 123.517 123.517 126.606 -3.089 25062 5724 1 8 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.459 0.306 25062 5725 1 8 . 1 1 80 80 VAL C C 80 175.373 175.373 174.753 0.620 25062 5726 1 8 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.903 -0.265 25062 5727 1 8 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.428 1.575 25062 5728 1 8 . 1 1 80 80 VAL H H 80 8.377 8.377 8.599 -0.222 25062 5729 1 8 . 1 1 81 81 ILE N N 81 129.083 129.083 129.976 -0.893 25062 5730 1 8 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.858 0.025 25062 5731 1 8 . 1 1 81 81 ILE C C 81 173.899 173.899 174.831 -0.932 25062 5732 1 8 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.307 0.419 25062 5733 1 8 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.809 1.273 25062 5734 1 8 . 1 1 81 81 ILE H H 81 8.812 8.812 8.663 0.149 25062 5735 1 8 . 1 1 82 82 VAL N N 82 126.531 126.531 129.173 -2.642 25062 5736 1 8 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.623 0.364 25062 5737 1 8 . 1 1 82 82 VAL C C 82 174.164 174.164 175.073 -0.909 25062 5738 1 8 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.599 -1.275 25062 5739 1 8 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.471 1.946 25062 5740 1 8 . 1 1 82 82 VAL H H 82 9.085 9.085 8.481 0.604 25062 5741 1 8 . 1 1 83 83 ILE N N 83 127.143 127.143 129.395 -2.252 25062 5742 1 8 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.866 0.038 25062 5743 1 8 . 1 1 83 83 ILE C C 83 174.044 174.044 175.769 -1.725 25062 5744 1 8 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.382 -0.366 25062 5745 1 8 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.625 1.191 25062 5746 1 8 . 1 1 83 83 ILE H H 83 9.391 9.391 8.431 0.960 25062 5747 1 8 . 1 1 84 84 ILE N N 84 126.750 126.750 129.339 -2.589 25062 5748 1 8 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.549 -0.103 25062 5749 1 8 . 1 1 84 84 ILE C C 84 174.788 174.788 175.998 -1.210 25062 5750 1 8 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.962 0.090 25062 5751 1 8 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.522 1.510 25062 5752 1 8 . 1 1 84 84 ILE H H 84 8.714 8.714 8.890 -0.176 25062 5753 1 8 . 1 1 85 85 VAL N N 85 127.160 127.160 130.381 -3.221 25062 5754 1 8 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.880 0.099 25062 5755 1 8 . 1 1 85 85 VAL C C 85 176.539 176.539 175.008 1.531 25062 5756 1 8 . 1 1 85 85 VAL CA C 85 60.062 60.062 60.908 -0.847 25062 5757 1 8 . 1 1 85 85 VAL CB C 85 31.874 31.874 30.796 1.079 25062 5758 1 8 . 1 1 85 85 VAL H H 85 8.464 8.464 8.889 -0.425 25062 5759 1 8 . 1 1 86 86 SER N N 86 121.723 121.723 121.871 -0.148 25062 5760 1 8 . 1 1 86 86 SER HA H 86 4.490 4.490 4.892 -0.402 25062 5761 1 8 . 1 1 86 86 SER C C 86 172.447 172.447 174.683 -2.236 25062 5762 1 8 . 1 1 86 86 SER CA C 86 58.131 58.131 57.401 0.730 25062 5763 1 8 . 1 1 86 86 SER CB C 86 64.121 64.121 66.638 -2.517 25062 5764 1 8 . 1 1 86 86 SER H H 86 8.725 8.725 8.688 0.037 25062 5765 1 8 . 1 1 87 87 GLN N N 87 121.657 121.657 122.882 -1.225 25062 5766 1 8 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.250 0.319 25062 5767 1 8 . 1 1 87 87 GLN C C 87 175.732 175.732 175.420 0.312 25062 5768 1 8 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.800 -1.374 25062 5769 1 8 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.987 0.132 25062 5770 1 8 . 1 1 87 87 GLN H H 87 8.516 8.516 8.868 -0.352 25062 5771 1 8 . 1 1 88 88 ASP N N 88 121.146 121.146 121.531 -0.385 25062 5772 1 8 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.681 0.019 25062 5773 1 8 . 1 1 88 88 ASP C C 88 175.752 175.752 176.268 -0.516 25062 5774 1 8 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.792 -1.713 25062 5775 1 8 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.319 0.883 25062 5776 1 8 . 1 1 88 88 ASP H H 88 8.459 8.459 8.410 0.049 25062 5777 1 8 . 1 1 89 89 GLU N N 89 125.736 125.736 124.386 1.350 25062 5778 1 8 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.963 -0.029 25062 5779 1 8 . 1 1 89 89 GLU C C 89 178.820 178.820 177.818 1.002 25062 5780 1 8 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.340 0.204 25062 5781 1 8 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.765 -0.138 25062 5782 1 8 . 1 1 89 89 GLU H H 89 8.840 8.840 8.418 0.422 25062 5783 1 8 . 1 1 90 90 GLU N N 90 119.813 119.813 120.721 -0.908 25062 5784 1 8 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.140 0.096 25062 5785 1 8 . 1 1 90 90 GLU C C 90 178.385 178.385 178.186 0.199 25062 5786 1 8 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.125 -0.318 25062 5787 1 8 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.226 -0.049 25062 5788 1 8 . 1 1 90 90 GLU H H 90 8.300 8.300 8.520 -0.220 25062 5789 1 8 . 1 1 91 91 ALA N N 91 123.211 123.211 121.616 1.595 25062 5790 1 8 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.212 -0.081 25062 5791 1 8 . 1 1 91 91 ALA C C 91 181.895 181.895 179.918 1.977 25062 5792 1 8 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.607 0.093 25062 5793 1 8 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.216 -0.335 25062 5794 1 8 . 1 1 91 91 ALA H H 91 7.670 7.670 8.117 -0.447 25062 5795 1 8 . 1 1 92 92 LEU N N 92 118.903 118.903 119.683 -0.780 25062 5796 1 8 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.931 0.074 25062 5797 1 8 . 1 1 92 92 LEU C C 92 177.951 177.951 178.929 -0.978 25062 5798 1 8 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.967 -0.017 25062 5799 1 8 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.526 0.655 25062 5800 1 8 . 1 1 92 92 LEU H H 92 8.190 8.190 8.014 0.176 25062 5801 1 8 . 1 1 93 93 ARG N N 93 118.916 118.916 118.664 0.252 25062 5802 1 8 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.073 0.025 25062 5803 1 8 . 1 1 93 93 ARG C C 93 178.775 178.775 178.422 0.353 25062 5804 1 8 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.510 -0.168 25062 5805 1 8 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.001 0.144 25062 5806 1 8 . 1 1 93 93 ARG H H 93 7.868 7.868 7.824 0.044 25062 5807 1 8 . 1 1 94 94 LYS N N 94 118.989 118.989 119.222 -0.233 25062 5808 1 8 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.040 0.017 25062 5809 1 8 . 1 1 94 94 LYS C C 94 179.270 179.270 179.003 0.267 25062 5810 1 8 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.705 -0.470 25062 5811 1 8 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.218 0.216 25062 5812 1 8 . 1 1 94 94 LYS H H 94 8.236 8.236 7.597 0.639 25062 5813 1 8 . 1 1 95 95 GLY N N 95 107.084 107.084 105.726 1.358 25062 5814 1 8 . 1 1 95 95 GLY C C 95 175.285 175.285 175.864 -0.579 25062 5815 1 8 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.612 0.433 25062 5816 1 8 . 1 1 95 95 GLY H H 95 8.296 8.296 7.766 0.530 25062 5817 1 8 . 1 1 96 96 TYR N N 96 121.591 121.591 123.786 -2.195 25062 5818 1 8 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.110 -0.064 25062 5819 1 8 . 1 1 96 96 TYR C C 96 176.428 176.428 177.587 -1.159 25062 5820 1 8 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.219 0.224 25062 5821 1 8 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.515 0.075 25062 5822 1 8 . 1 1 96 96 TYR H H 96 8.372 8.372 7.956 0.416 25062 5823 1 8 . 1 1 97 97 GLU N N 97 117.883 117.883 117.224 0.659 25062 5824 1 8 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.732 0.099 25062 5825 1 8 . 1 1 97 97 GLU C C 97 178.775 178.775 178.547 0.228 25062 5826 1 8 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.106 0.143 25062 5827 1 8 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.345 0.197 25062 5828 1 8 . 1 1 97 97 GLU H H 97 8.205 8.205 8.087 0.118 25062 5829 1 8 . 1 1 98 98 ASP N N 98 117.644 117.644 120.297 -2.653 25062 5830 1 8 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.407 -0.062 25062 5831 1 8 . 1 1 98 98 ASP C C 98 177.978 177.978 177.901 0.077 25062 5832 1 8 . 1 1 98 98 ASP CA C 98 57.113 57.113 56.851 0.262 25062 5833 1 8 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.996 0.995 25062 5834 1 8 . 1 1 98 98 ASP H H 98 8.139 8.139 7.743 0.396 25062 5835 1 8 . 1 1 99 99 LYS N N 99 116.691 116.691 117.715 -1.024 25062 5836 1 8 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.303 -0.279 25062 5837 1 8 . 1 1 99 99 LYS C C 99 178.061 178.061 178.464 -0.403 25062 5838 1 8 . 1 1 99 99 LYS CA C 99 58.006 58.006 57.982 0.024 25062 5839 1 8 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.728 -0.353 25062 5840 1 8 . 1 1 99 99 LYS H H 99 7.886 7.886 7.775 0.111 25062 5841 1 8 . 1 1 100 100 LYS N N 100 120.645 120.645 120.181 0.464 25062 5842 1 8 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.200 -0.126 25062 5843 1 8 . 1 1 100 100 LYS C C 100 180.486 180.486 178.951 1.535 25062 5844 1 8 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.744 -0.561 25062 5845 1 8 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.167 -0.801 25062 5846 1 8 . 1 1 100 100 LYS H H 100 8.395 8.395 7.936 0.459 25062 5847 1 8 . 1 1 101 101 LYS N N 101 119.297 119.297 118.143 1.154 25062 5848 1 8 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.054 0.028 25062 5849 1 8 . 1 1 101 101 LYS C C 101 177.669 177.669 177.659 0.010 25062 5850 1 8 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.554 -0.088 25062 5851 1 8 . 1 1 101 101 LYS CB C 101 32.245 32.245 31.985 0.260 25062 5852 1 8 . 1 1 101 101 LYS H H 101 7.713 7.713 7.784 -0.071 25062 5853 1 8 . 1 1 102 102 LYS N N 102 116.847 116.847 117.767 -0.920 25062 5854 1 8 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.127 -0.034 25062 5855 1 8 . 1 1 102 102 LYS C C 102 176.357 176.357 175.847 0.510 25062 5856 1 8 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.268 0.521 25062 5857 1 8 . 1 1 102 102 LYS CB C 102 32.003 32.003 31.917 0.086 25062 5858 1 8 . 1 1 102 102 LYS H H 102 7.124 7.124 7.144 -0.020 25062 5859 1 8 . 1 1 103 103 GLY N N 103 105.781 105.781 106.373 -0.592 25062 5860 1 8 . 1 1 103 103 GLY C C 103 174.378 174.378 174.571 -0.193 25062 5861 1 8 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.078 -0.024 25062 5862 1 8 . 1 1 103 103 GLY H H 103 7.771 7.771 7.509 0.262 25062 5863 1 8 . 1 1 104 104 TYR N N 104 119.257 119.257 118.283 0.974 25062 5864 1 8 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.573 0.365 25062 5865 1 8 . 1 1 104 104 TYR C C 104 175.223 175.223 175.676 -0.453 25062 5866 1 8 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.412 -0.961 25062 5867 1 8 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.087 -1.342 25062 5868 1 8 . 1 1 104 104 TYR H H 104 6.914 6.914 7.145 -0.231 25062 5869 1 8 . 1 1 105 105 ASP N N 105 122.574 122.574 124.448 -1.874 25062 5870 1 8 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.620 0.161 25062 5871 1 8 . 1 1 105 105 ASP C C 105 174.818 174.818 175.043 -0.225 25062 5872 1 8 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.187 -0.972 25062 5873 1 8 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.897 0.904 25062 5874 1 8 . 1 1 105 105 ASP H H 105 8.223 8.223 8.413 -0.190 25062 5875 1 8 . 1 1 106 106 VAL N N 106 121.990 121.990 123.101 -1.111 25062 5876 1 8 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.576 0.681 25062 5877 1 8 . 1 1 106 106 VAL C C 106 173.835 173.835 175.320 -1.485 25062 5878 1 8 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.020 -0.978 25062 5879 1 8 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.200 1.179 25062 5880 1 8 . 1 1 106 106 VAL H H 106 7.876 7.876 7.851 0.025 25062 5881 1 8 . 1 1 107 107 TYR N N 107 125.444 125.444 126.746 -1.302 25062 5882 1 8 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.957 0.050 25062 5883 1 8 . 1 1 107 107 TYR C C 107 174.765 174.765 174.893 -0.128 25062 5884 1 8 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.465 -0.400 25062 5885 1 8 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.574 0.315 25062 5886 1 8 . 1 1 107 107 TYR H H 107 9.400 9.400 9.126 0.274 25062 5887 1 8 . 1 1 108 108 THR N N 108 111.100 111.100 114.930 -3.830 25062 5888 1 8 . 1 1 108 108 THR HA H 108 5.212 5.212 5.236 -0.024 25062 5889 1 8 . 1 1 108 108 THR C C 108 174.350 174.350 174.038 0.312 25062 5890 1 8 . 1 1 108 108 THR CA C 108 59.514 59.514 60.336 -0.822 25062 5891 1 8 . 1 1 108 108 THR CB C 108 70.911 70.911 70.438 0.473 25062 5892 1 8 . 1 1 108 108 THR H H 108 8.801 8.801 8.484 0.317 25062 5893 1 8 . 1 1 109 109 SER N N 109 114.650 114.650 119.487 -4.837 25062 5894 1 8 . 1 1 109 109 SER HA H 109 4.901 4.901 4.893 0.008 25062 5895 1 8 . 1 1 109 109 SER C C 109 172.399 172.399 174.808 -2.409 25062 5896 1 8 . 1 1 109 109 SER CA C 109 57.974 57.974 56.556 1.418 25062 5897 1 8 . 1 1 109 109 SER CB C 109 67.764 67.764 66.639 1.125 25062 5898 1 8 . 1 1 109 109 SER H H 109 8.565 8.565 8.727 -0.162 25062 5899 1 8 . 1 1 110 110 ARG N N 110 119.807 119.807 123.679 -3.872 25062 5900 1 8 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.316 0.693 25062 5901 1 8 . 1 1 110 110 ARG C C 110 175.995 175.995 175.744 0.251 25062 5902 1 8 . 1 1 110 110 ARG CA C 110 56.009 56.009 58.662 -2.653 25062 5903 1 8 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.498 1.319 25062 5904 1 8 . 1 1 110 110 ARG H H 110 8.948 8.948 8.975 -0.027 25062 5905 1 8 . 1 1 111 111 ASN N N 111 110.690 110.690 111.333 -0.643 25062 5906 1 8 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.796 -0.163 25062 5907 1 8 . 1 1 111 111 ASN C C 111 174.460 174.460 174.962 -0.502 25062 5908 1 8 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.044 -0.674 25062 5909 1 8 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.268 0.849 25062 5910 1 8 . 1 1 111 111 ASN H H 111 7.426 7.426 7.629 -0.203 25062 5911 1 8 . 1 1 112 112 GLU N N 112 119.451 119.451 119.677 -0.226 25062 5912 1 8 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.061 -0.253 25062 5913 1 8 . 1 1 112 112 GLU C C 112 176.445 176.445 177.414 -0.969 25062 5914 1 8 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.506 0.687 25062 5915 1 8 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.336 1.270 25062 5916 1 8 . 1 1 112 112 GLU H H 112 9.529 9.529 8.893 0.636 25062 5917 1 8 . 1 1 113 113 ASP N N 113 120.739 120.739 118.520 2.219 25062 5918 1 8 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.387 -0.018 25062 5919 1 8 . 1 1 113 113 ASP C C 113 179.043 179.043 178.625 0.418 25062 5920 1 8 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.660 0.445 25062 5921 1 8 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.331 0.616 25062 5922 1 8 . 1 1 113 113 ASP H H 113 8.256 8.256 8.662 -0.406 25062 5923 1 8 . 1 1 114 114 GLU N N 114 119.817 119.817 119.655 0.162 25062 5924 1 8 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.031 0.019 25062 5925 1 8 . 1 1 114 114 GLU C C 114 178.770 178.770 178.825 -0.055 25062 5926 1 8 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.554 0.686 25062 5927 1 8 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.234 1.422 25062 5928 1 8 . 1 1 114 114 GLU H H 114 8.577 8.577 7.739 0.838 25062 5929 1 8 . 1 1 115 115 ALA N N 115 121.470 121.470 122.216 -0.746 25062 5930 1 8 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.103 -0.048 25062 5931 1 8 . 1 1 115 115 ALA C C 115 178.962 178.962 179.382 -0.420 25062 5932 1 8 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.014 0.199 25062 5933 1 8 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.311 1.546 25062 5934 1 8 . 1 1 115 115 ALA H H 115 8.358 8.358 8.249 0.109 25062 5935 1 8 . 1 1 116 116 LYS N N 116 117.285 117.285 118.565 -1.280 25062 5936 1 8 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.950 -0.292 25062 5937 1 8 . 1 1 116 116 LYS C C 116 178.583 178.583 178.694 -0.111 25062 5938 1 8 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.638 1.279 25062 5939 1 8 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.216 0.595 25062 5940 1 8 . 1 1 116 116 LYS H H 116 8.350 8.350 8.128 0.222 25062 5941 1 8 . 1 1 117 117 LYS N N 117 118.433 118.433 119.054 -0.621 25062 5942 1 8 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.908 0.078 25062 5943 1 8 . 1 1 117 117 LYS C C 117 179.380 179.380 178.901 0.479 25062 5944 1 8 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.849 -0.244 25062 5945 1 8 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.240 0.141 25062 5946 1 8 . 1 1 117 117 LYS H H 117 7.345 7.345 7.464 -0.119 25062 5947 1 8 . 1 1 118 118 LYS N N 118 118.166 118.166 118.635 -0.469 25062 5948 1 8 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.806 0.133 25062 5949 1 8 . 1 1 118 118 LYS C C 118 178.088 178.088 179.191 -1.103 25062 5950 1 8 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.303 -0.748 25062 5951 1 8 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.794 -0.654 25062 5952 1 8 . 1 1 118 118 LYS H H 118 8.130 8.130 7.598 0.532 25062 5953 1 8 . 1 1 119 119 LEU N N 119 120.654 120.654 120.961 -0.307 25062 5954 1 8 . 1 1 119 119 LEU HA H 119 3.784 3.784 4.039 -0.255 25062 5955 1 8 . 1 1 119 119 LEU C C 119 177.567 177.567 178.264 -0.697 25062 5956 1 8 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.772 0.142 25062 5957 1 8 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.891 0.283 25062 5958 1 8 . 1 1 119 119 LEU H H 119 8.592 8.592 8.059 0.533 25062 5959 1 8 . 1 1 120 120 LYS N N 120 118.314 118.314 118.383 -0.069 25062 5960 1 8 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.665 -0.120 25062 5961 1 8 . 1 1 120 120 LYS C C 120 178.624 178.624 178.937 -0.313 25062 5962 1 8 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.518 0.772 25062 5963 1 8 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.978 -0.214 25062 5964 1 8 . 1 1 120 120 LYS H H 120 7.753 7.753 7.639 0.114 25062 5965 1 8 . 1 1 121 121 GLU N N 121 118.446 118.446 120.043 -1.597 25062 5966 1 8 . 1 1 121 121 GLU HA H 121 4.006 4.006 3.986 0.020 25062 5967 1 8 . 1 1 121 121 GLU C C 121 178.744 178.744 178.817 -0.073 25062 5968 1 8 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.216 0.323 25062 5969 1 8 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.256 0.107 25062 5970 1 8 . 1 1 121 121 GLU H H 121 7.777 7.777 8.176 -0.399 25062 5971 1 8 . 1 1 122 122 ALA N N 122 121.333 121.333 121.302 0.031 25062 5972 1 8 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.125 -0.169 25062 5973 1 8 . 1 1 122 122 ALA C C 122 179.973 179.973 179.352 0.621 25062 5974 1 8 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.745 0.215 25062 5975 1 8 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.508 -0.080 25062 5976 1 8 . 1 1 122 122 ALA H H 122 8.229 8.229 7.507 0.722 25062 5977 1 8 . 1 1 123 123 LEU N N 123 118.790 118.790 118.740 0.050 25062 5978 1 8 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.012 -0.232 25062 5979 1 8 . 1 1 123 123 LEU C C 123 179.703 179.703 179.362 0.341 25062 5980 1 8 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.226 0.663 25062 5981 1 8 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.611 -0.759 25062 5982 1 8 . 1 1 123 123 LEU H H 123 8.177 8.177 7.610 0.567 25062 5983 1 8 . 1 1 124 124 GLU N N 124 120.881 120.881 118.293 2.588 25062 5984 1 8 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.068 0.076 25062 5985 1 8 . 1 1 124 124 GLU C C 124 179.732 179.732 178.710 1.022 25062 5986 1 8 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.132 0.307 25062 5987 1 8 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.323 0.197 25062 5988 1 8 . 1 1 124 124 GLU H H 124 8.393 8.393 8.114 0.279 25062 5989 1 8 . 1 1 125 125 LYS N N 125 119.526 119.526 119.356 0.170 25062 5990 1 8 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.148 0.111 25062 5991 1 8 . 1 1 125 125 LYS C C 125 177.862 177.862 177.957 -0.095 25062 5992 1 8 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.620 -0.675 25062 5993 1 8 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.354 0.003 25062 5994 1 8 . 1 1 125 125 LYS H H 125 8.290 8.290 7.697 0.593 25062 5995 1 8 . 1 1 126 126 SER N N 126 114.103 114.103 112.561 1.542 25062 5996 1 8 . 1 1 126 126 SER HA H 126 4.385 4.385 4.378 0.007 25062 5997 1 8 . 1 1 126 126 SER C C 126 174.460 174.460 175.973 -1.513 25062 5998 1 8 . 1 1 126 126 SER CA C 126 59.611 59.611 59.605 0.006 25062 5999 1 8 . 1 1 126 126 SER CB C 126 63.479 63.479 65.396 -1.917 25062 6000 1 8 . 1 1 126 126 SER H H 126 7.702 7.702 7.745 -0.043 25062 6001 1 8 . 1 1 127 127 GLY N N 127 108.584 108.584 109.309 -0.725 25062 6002 1 8 . 1 1 127 127 GLY C C 127 174.103 174.103 174.241 -0.138 25062 6003 1 8 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.810 0.627 25062 6004 1 8 . 1 1 127 127 GLY H H 127 7.933 7.933 7.921 0.012 25062 6005 1 8 . 1 1 128 128 SER N N 128 115.990 115.990 120.256 -4.266 25062 6006 1 8 . 1 1 128 128 SER HA H 128 4.590 4.590 4.509 0.081 25062 6007 1 8 . 1 1 128 128 SER C C 128 174.412 174.412 173.782 0.630 25062 6008 1 8 . 1 1 128 128 SER CA C 128 57.986 57.986 59.515 -1.529 25062 6009 1 8 . 1 1 128 128 SER CB C 128 63.336 63.336 61.711 1.625 25062 6010 1 8 . 1 1 128 128 SER H H 128 8.091 8.091 7.793 0.298 25062 6011 1 8 . 1 1 129 129 LEU N N 129 125.492 125.492 125.710 -0.218 25062 6012 1 8 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.564 -0.123 25062 6013 1 8 . 1 1 129 129 LEU C C 129 177.084 177.084 177.171 -0.087 25062 6014 1 8 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.498 0.378 25062 6015 1 8 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.937 -0.628 25062 6016 1 8 . 1 1 129 129 LEU H H 129 8.262 8.262 7.679 0.583 25062 6017 1 8 . 1 1 130 130 GLU N N 130 121.006 121.006 120.909 0.097 25062 6018 1 8 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.002 -0.027 25062 6019 1 8 . 1 1 130 130 GLU C C 130 176.435 176.435 176.630 -0.195 25062 6020 1 8 . 1 1 130 130 GLU CA C 130 56.812 56.812 57.520 -0.708 25062 6021 1 8 . 1 1 130 130 GLU CB C 130 30.279 30.279 29.776 0.503 25062 6022 1 8 . 1 1 130 130 GLU H H 130 8.398 8.398 8.094 0.304 25062 6023 1 8 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.597 -0.006 25062 6024 1 8 . 1 1 131 131 HIS C C 131 174.179 174.179 175.693 -1.514 25062 6025 1 8 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.891 0.258 25062 6026 1 8 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.321 0.510 25062 6027 1 8 . 1 1 132 132 HIS N N 132 125.794 125.794 120.760 5.034 25062 6028 1 8 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.572 -0.156 25062 6029 1 8 . 1 1 132 132 HIS C C 132 179.523 179.523 175.559 3.964 25062 6030 1 8 . 1 1 132 132 HIS CA C 132 57.516 57.516 57.088 0.428 25062 6031 1 8 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.420 1.588 25062 6032 1 8 . 1 1 132 132 HIS H H 132 7.935 7.935 8.782 -0.847 25062 6033 1 9 . 1 1 2 2 GLY N N 2 109.342 109.342 105.867 3.475 25062 6034 1 9 . 1 1 2 2 GLY C C 2 172.736 172.736 171.557 1.179 25062 6035 1 9 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.704 -0.048 25062 6036 1 9 . 1 1 2 2 GLY H H 2 8.632 8.632 7.722 0.910 25062 6037 1 9 . 1 1 3 3 VAL N N 3 123.457 123.457 119.128 4.329 25062 6038 1 9 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.739 0.242 25062 6039 1 9 . 1 1 3 3 VAL C C 3 173.780 173.780 174.695 -0.915 25062 6040 1 9 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.623 -1.273 25062 6041 1 9 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.195 -0.082 25062 6042 1 9 . 1 1 3 3 VAL H H 3 7.516 7.516 8.117 -0.601 25062 6043 1 9 . 1 1 4 4 VAL N N 4 125.375 125.375 126.482 -1.107 25062 6044 1 9 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.511 0.020 25062 6045 1 9 . 1 1 4 4 VAL C C 4 173.185 173.185 175.240 -2.055 25062 6046 1 9 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.401 -0.900 25062 6047 1 9 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.600 1.195 25062 6048 1 9 . 1 1 4 4 VAL H H 4 8.810 8.810 8.466 0.344 25062 6049 1 9 . 1 1 5 5 ILE N N 5 127.180 127.180 129.160 -1.980 25062 6050 1 9 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.591 0.278 25062 6051 1 9 . 1 1 5 5 ILE C C 5 174.303 174.303 174.913 -0.610 25062 6052 1 9 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.448 -1.038 25062 6053 1 9 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.190 0.453 25062 6054 1 9 . 1 1 5 5 ILE H H 5 8.800 8.800 9.055 -0.255 25062 6055 1 9 . 1 1 6 6 LEU N N 6 129.025 129.025 129.595 -0.570 25062 6056 1 9 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.586 0.427 25062 6057 1 9 . 1 1 6 6 LEU C C 6 174.847 174.847 175.991 -1.144 25062 6058 1 9 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.906 -0.438 25062 6059 1 9 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.887 2.406 25062 6060 1 9 . 1 1 6 6 LEU H H 6 9.424 9.424 9.038 0.386 25062 6061 1 9 . 1 1 7 7 VAL N N 7 123.364 123.364 126.712 -3.348 25062 6062 1 9 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.456 0.201 25062 6063 1 9 . 1 1 7 7 VAL C C 7 174.210 174.210 175.236 -1.026 25062 6064 1 9 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.894 -1.067 25062 6065 1 9 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.807 0.446 25062 6066 1 9 . 1 1 7 7 VAL H H 7 8.653 8.653 9.053 -0.400 25062 6067 1 9 . 1 1 8 8 LEU N N 8 130.560 130.560 131.235 -0.675 25062 6068 1 9 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.120 0.176 25062 6069 1 9 . 1 1 8 8 LEU C C 8 175.744 175.744 176.884 -1.140 25062 6070 1 9 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.175 -0.289 25062 6071 1 9 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.214 1.282 25062 6072 1 9 . 1 1 8 8 LEU H H 8 9.069 9.069 8.661 0.408 25062 6073 1 9 . 1 1 9 9 THR N N 9 112.810 112.810 113.293 -0.483 25062 6074 1 9 . 1 1 9 9 THR HA H 9 4.959 4.959 5.222 -0.263 25062 6075 1 9 . 1 1 9 9 THR C C 9 174.213 174.213 176.102 -1.889 25062 6076 1 9 . 1 1 9 9 THR CA C 9 59.948 59.948 59.309 0.639 25062 6077 1 9 . 1 1 9 9 THR CB C 9 70.756 70.756 71.794 -1.038 25062 6078 1 9 . 1 1 9 9 THR H H 9 8.028 8.028 8.721 -0.693 25062 6079 1 9 . 1 1 10 10 GLY N N 10 107.740 107.740 109.026 -1.286 25062 6080 1 9 . 1 1 10 10 GLY C C 10 173.064 173.064 173.663 -0.599 25062 6081 1 9 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.588 -0.158 25062 6082 1 9 . 1 1 10 10 GLY H H 10 7.827 7.827 8.491 -0.664 25062 6083 1 9 . 1 1 11 11 ASP N N 11 119.119 119.119 117.384 1.735 25062 6084 1 9 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.690 0.163 25062 6085 1 9 . 1 1 11 11 ASP C C 11 176.118 176.118 175.413 0.705 25062 6086 1 9 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.437 -0.465 25062 6087 1 9 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.974 0.267 25062 6088 1 9 . 1 1 11 11 ASP H H 11 7.642 7.642 7.385 0.257 25062 6089 1 9 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.057 0.043 25062 6090 1 9 . 1 1 12 12 GLU C C 12 178.508 178.508 178.386 0.122 25062 6091 1 9 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.183 -0.719 25062 6092 1 9 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.812 -0.479 25062 6093 1 9 . 1 1 13 13 ARG N N 13 121.589 121.589 118.888 2.701 25062 6094 1 9 . 1 1 13 13 ARG HA H 13 4.137 4.137 3.976 0.161 25062 6095 1 9 . 1 1 13 13 ARG C C 13 179.625 179.625 178.712 0.913 25062 6096 1 9 . 1 1 13 13 ARG CA C 13 59.418 59.418 59.533 -0.115 25062 6097 1 9 . 1 1 13 13 ARG CB C 13 29.355 29.355 30.244 -0.889 25062 6098 1 9 . 1 1 13 13 ARG H H 13 8.593 8.593 8.294 0.299 25062 6099 1 9 . 1 1 14 14 ILE N N 14 119.911 119.911 119.101 0.810 25062 6100 1 9 . 1 1 14 14 ILE HA H 14 3.650 3.650 4.113 -0.463 25062 6101 1 9 . 1 1 14 14 ILE C C 14 177.727 177.727 177.866 -0.139 25062 6102 1 9 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.116 1.042 25062 6103 1 9 . 1 1 14 14 ILE CB C 14 37.339 37.339 38.069 -0.730 25062 6104 1 9 . 1 1 14 14 ILE H H 14 7.823 7.823 7.280 0.543 25062 6105 1 9 . 1 1 15 15 ALA N N 15 121.015 121.015 121.460 -0.445 25062 6106 1 9 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.726 -0.007 25062 6107 1 9 . 1 1 15 15 ALA C C 15 178.994 178.994 179.201 -0.207 25062 6108 1 9 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.833 1.057 25062 6109 1 9 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.814 0.037 25062 6110 1 9 . 1 1 15 15 ALA H H 15 7.610 7.610 7.559 0.051 25062 6111 1 9 . 1 1 16 16 GLU N N 16 117.655 117.655 117.804 -0.149 25062 6112 1 9 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.851 0.283 25062 6113 1 9 . 1 1 16 16 GLU C C 16 178.517 178.517 178.808 -0.291 25062 6114 1 9 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.130 -0.851 25062 6115 1 9 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.434 -0.212 25062 6116 1 9 . 1 1 16 16 GLU H H 16 7.808 7.808 8.248 -0.440 25062 6117 1 9 . 1 1 17 17 GLU N N 17 119.648 119.648 119.141 0.507 25062 6118 1 9 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.110 -0.056 25062 6119 1 9 . 1 1 17 17 GLU C C 17 180.213 180.213 179.295 0.918 25062 6120 1 9 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.518 0.716 25062 6121 1 9 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.145 0.007 25062 6122 1 9 . 1 1 17 17 GLU H H 17 8.002 8.002 7.636 0.366 25062 6123 1 9 . 1 1 18 18 LEU N N 18 119.118 119.118 119.700 -0.582 25062 6124 1 9 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.183 -0.083 25062 6125 1 9 . 1 1 18 18 LEU C C 18 178.233 178.233 178.986 -0.753 25062 6126 1 9 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.272 0.534 25062 6127 1 9 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.498 -0.627 25062 6128 1 9 . 1 1 18 18 LEU H H 18 8.554 8.554 7.791 0.763 25062 6129 1 9 . 1 1 19 19 ARG N N 19 122.158 122.158 120.328 1.830 25062 6130 1 9 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.316 -0.501 25062 6131 1 9 . 1 1 19 19 ARG C C 19 178.686 178.686 178.338 0.348 25062 6132 1 9 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.293 1.623 25062 6133 1 9 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.847 -0.508 25062 6134 1 9 . 1 1 19 19 ARG H H 19 8.274 8.274 7.643 0.631 25062 6135 1 9 . 1 1 20 20 LYS N N 20 118.130 118.130 118.085 0.045 25062 6136 1 9 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.060 -0.125 25062 6137 1 9 . 1 1 20 20 LYS C C 20 179.078 179.078 178.751 0.327 25062 6138 1 9 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.517 0.236 25062 6139 1 9 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.090 0.350 25062 6140 1 9 . 1 1 20 20 LYS H H 20 7.977 7.977 7.747 0.230 25062 6141 1 9 . 1 1 21 21 GLU N N 21 120.451 120.451 120.209 0.242 25062 6142 1 9 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.055 0.000 25062 6143 1 9 . 1 1 21 21 GLU C C 21 178.995 178.995 178.741 0.254 25062 6144 1 9 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.431 -0.328 25062 6145 1 9 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.263 -0.100 25062 6146 1 9 . 1 1 21 21 GLU H H 21 7.813 7.813 7.877 -0.064 25062 6147 1 9 . 1 1 22 22 VAL N N 22 119.654 119.654 119.052 0.602 25062 6148 1 9 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.634 -0.194 25062 6149 1 9 . 1 1 22 22 VAL C C 22 176.428 176.428 178.238 -1.810 25062 6150 1 9 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.115 0.007 25062 6151 1 9 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.693 -0.241 25062 6152 1 9 . 1 1 22 22 VAL H H 22 8.146 8.146 7.544 0.602 25062 6153 1 9 . 1 1 23 23 GLN N N 23 116.884 116.884 116.644 0.240 25062 6154 1 9 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.008 -0.056 25062 6155 1 9 . 1 1 23 23 GLN C C 23 177.429 177.429 177.311 0.118 25062 6156 1 9 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.448 0.319 25062 6157 1 9 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.471 0.080 25062 6158 1 9 . 1 1 23 23 GLN H H 23 7.588 7.588 7.708 -0.120 25062 6159 1 9 . 1 1 24 24 LYS N N 24 116.529 116.529 116.448 0.081 25062 6160 1 9 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.153 -0.157 25062 6161 1 9 . 1 1 24 24 LYS C C 24 177.508 177.508 178.128 -0.620 25062 6162 1 9 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.698 0.716 25062 6163 1 9 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.786 0.131 25062 6164 1 9 . 1 1 24 24 LYS H H 24 7.544 7.544 7.593 -0.049 25062 6165 1 9 . 1 1 25 25 HIS N N 25 119.657 119.657 118.437 1.220 25062 6166 1 9 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.345 -0.092 25062 6167 1 9 . 1 1 25 25 HIS C C 25 175.915 175.915 174.033 1.882 25062 6168 1 9 . 1 1 25 25 HIS CA C 25 59.442 59.442 59.083 0.359 25062 6169 1 9 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.803 0.067 25062 6170 1 9 . 1 1 25 25 HIS H H 25 7.809 7.809 7.908 -0.099 25062 6171 1 9 . 1 1 26 26 ASP N N 26 113.221 113.221 114.730 -1.509 25062 6172 1 9 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.128 -0.393 25062 6173 1 9 . 1 1 26 26 ASP C C 26 173.856 173.856 174.697 -0.841 25062 6174 1 9 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.835 -0.165 25062 6175 1 9 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.525 -1.159 25062 6176 1 9 . 1 1 26 26 ASP H H 26 8.358 8.358 8.245 0.113 25062 6177 1 9 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.647 -0.081 25062 6178 1 9 . 1 1 27 27 PRO C C 27 176.845 176.845 176.623 0.222 25062 6179 1 9 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.585 0.292 25062 6180 1 9 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.354 -0.069 25062 6181 1 9 . 1 1 28 28 ASN N N 28 115.529 115.529 116.744 -1.215 25062 6182 1 9 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.737 -0.065 25062 6183 1 9 . 1 1 28 28 ASN C C 28 175.632 175.632 176.325 -0.693 25062 6184 1 9 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.682 0.133 25062 6185 1 9 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.112 -0.018 25062 6186 1 9 . 1 1 28 28 ASN H H 28 8.570 8.570 8.070 0.500 25062 6187 1 9 . 1 1 29 29 VAL N N 29 121.867 121.867 122.984 -1.117 25062 6188 1 9 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.972 -0.088 25062 6189 1 9 . 1 1 29 29 VAL C C 29 175.085 175.085 175.885 -0.800 25062 6190 1 9 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.900 0.275 25062 6191 1 9 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.265 0.733 25062 6192 1 9 . 1 1 29 29 VAL H H 29 7.465 7.465 7.579 -0.114 25062 6193 1 9 . 1 1 30 30 LYS N N 30 130.242 130.242 127.610 2.632 25062 6194 1 9 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.324 0.110 25062 6195 1 9 . 1 1 30 30 LYS C C 30 175.093 175.093 175.899 -0.806 25062 6196 1 9 . 1 1 30 30 LYS CA C 30 55.373 55.373 56.065 -0.691 25062 6197 1 9 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.118 -0.691 25062 6198 1 9 . 1 1 30 30 LYS H H 30 9.036 9.036 8.199 0.837 25062 6199 1 9 . 1 1 31 31 THR N N 31 113.173 113.173 114.365 -1.192 25062 6200 1 9 . 1 1 31 31 THR HA H 31 5.688 5.688 5.239 0.449 25062 6201 1 9 . 1 1 31 31 THR C C 31 174.708 174.708 174.316 0.392 25062 6202 1 9 . 1 1 31 31 THR CA C 31 58.537 58.537 60.591 -2.054 25062 6203 1 9 . 1 1 31 31 THR CB C 31 71.419 71.419 70.594 0.825 25062 6204 1 9 . 1 1 31 31 THR H H 31 8.185 8.185 8.427 -0.242 25062 6205 1 9 . 1 1 32 32 VAL N N 32 122.168 122.168 124.373 -2.205 25062 6206 1 9 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.647 0.248 25062 6207 1 9 . 1 1 32 32 VAL C C 32 173.388 173.388 174.071 -0.683 25062 6208 1 9 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.041 -0.307 25062 6209 1 9 . 1 1 32 32 VAL CB C 32 33.904 33.904 33.891 0.013 25062 6210 1 9 . 1 1 32 32 VAL H H 32 8.968 8.968 8.567 0.401 25062 6211 1 9 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.908 0.066 25062 6212 1 9 . 1 1 33 33 PRO C C 33 177.848 177.848 177.403 0.445 25062 6213 1 9 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.579 -0.237 25062 6214 1 9 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.433 0.588 25062 6215 1 9 . 1 1 34 34 THR N N 34 114.266 114.266 109.082 5.184 25062 6216 1 9 . 1 1 34 34 THR HA H 34 4.118 4.118 4.245 -0.127 25062 6217 1 9 . 1 1 34 34 THR C C 34 176.879 176.879 175.530 1.349 25062 6218 1 9 . 1 1 34 34 THR CA C 34 64.607 64.607 64.696 -0.089 25062 6219 1 9 . 1 1 34 34 THR CB C 34 68.311 68.311 69.122 -0.811 25062 6220 1 9 . 1 1 34 34 THR H H 34 9.033 9.033 8.281 0.752 25062 6221 1 9 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.187 0.058 25062 6222 1 9 . 1 1 35 35 LYS C C 35 176.639 176.639 177.562 -0.923 25062 6223 1 9 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.936 0.198 25062 6224 1 9 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.182 0.121 25062 6225 1 9 . 1 1 36 36 ASP N N 36 120.993 120.993 121.188 -0.195 25062 6226 1 9 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.837 0.178 25062 6227 1 9 . 1 1 36 36 ASP C C 36 176.202 176.202 175.225 0.977 25062 6228 1 9 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.873 -0.437 25062 6229 1 9 . 1 1 36 36 ASP CB C 36 41.110 41.110 39.746 1.363 25062 6230 1 9 . 1 1 36 36 ASP H H 36 7.726 7.726 7.809 -0.083 25062 6231 1 9 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.995 -0.007 25062 6232 1 9 . 1 1 37 37 LYS C C 37 177.948 177.948 177.627 0.321 25062 6233 1 9 . 1 1 37 37 LYS CA C 37 59.308 59.308 58.927 0.381 25062 6234 1 9 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.597 0.251 25062 6235 1 9 . 1 1 38 38 GLU N N 38 119.141 119.141 117.881 1.260 25062 6236 1 9 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.203 0.047 25062 6237 1 9 . 1 1 38 38 GLU C C 38 178.054 178.054 178.684 -0.630 25062 6238 1 9 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.218 -0.716 25062 6239 1 9 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.066 0.141 25062 6240 1 9 . 1 1 38 38 GLU H H 38 8.883 8.883 8.574 0.309 25062 6241 1 9 . 1 1 39 39 LYS N N 39 118.440 118.440 120.326 -1.886 25062 6242 1 9 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.081 0.426 25062 6243 1 9 . 1 1 39 39 LYS C C 39 177.126 177.126 178.382 -1.256 25062 6244 1 9 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.085 -1.778 25062 6245 1 9 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.618 0.806 25062 6246 1 9 . 1 1 39 39 LYS H H 39 8.064 8.064 8.082 -0.018 25062 6247 1 9 . 1 1 40 40 VAL N N 40 118.130 118.130 119.674 -1.544 25062 6248 1 9 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.506 -0.111 25062 6249 1 9 . 1 1 40 40 VAL C C 40 176.934 176.934 177.411 -0.477 25062 6250 1 9 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.989 0.632 25062 6251 1 9 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.345 0.310 25062 6252 1 9 . 1 1 40 40 VAL H H 40 7.308 7.308 7.775 -0.467 25062 6253 1 9 . 1 1 41 41 LYS N N 41 118.555 118.555 118.353 0.202 25062 6254 1 9 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.782 -0.139 25062 6255 1 9 . 1 1 41 41 LYS C C 41 178.363 178.363 178.467 -0.104 25062 6256 1 9 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.665 1.622 25062 6257 1 9 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.981 -0.527 25062 6258 1 9 . 1 1 41 41 LYS H H 41 8.150 8.150 7.550 0.600 25062 6259 1 9 . 1 1 42 42 GLU N N 42 119.454 119.454 117.941 1.513 25062 6260 1 9 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.092 0.006 25062 6261 1 9 . 1 1 42 42 GLU C C 42 179.552 179.552 179.073 0.479 25062 6262 1 9 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.048 0.208 25062 6263 1 9 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.080 0.514 25062 6264 1 9 . 1 1 42 42 GLU H H 42 8.067 8.067 7.600 0.467 25062 6265 1 9 . 1 1 43 43 GLU N N 43 118.427 118.427 119.153 -0.726 25062 6266 1 9 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.160 0.135 25062 6267 1 9 . 1 1 43 43 GLU C C 43 180.076 180.076 179.236 0.840 25062 6268 1 9 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.505 -0.050 25062 6269 1 9 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.284 -0.639 25062 6270 1 9 . 1 1 43 43 GLU H H 43 8.189 8.189 7.662 0.527 25062 6271 1 9 . 1 1 44 44 ILE N N 44 122.905 122.905 119.804 3.101 25062 6272 1 9 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.622 0.013 25062 6273 1 9 . 1 1 44 44 ILE C C 44 176.828 176.828 177.721 -0.893 25062 6274 1 9 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.326 0.071 25062 6275 1 9 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.872 -0.333 25062 6276 1 9 . 1 1 44 44 ILE H H 44 8.734 8.734 7.938 0.796 25062 6277 1 9 . 1 1 45 45 GLU N N 45 120.098 120.098 120.302 -0.204 25062 6278 1 9 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.252 -0.113 25062 6279 1 9 . 1 1 45 45 GLU C C 45 178.930 178.930 178.985 -0.055 25062 6280 1 9 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.602 -0.113 25062 6281 1 9 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.465 -0.317 25062 6282 1 9 . 1 1 45 45 GLU H H 45 8.099 8.099 8.374 -0.275 25062 6283 1 9 . 1 1 46 46 LYS N N 46 118.360 118.360 119.044 -0.684 25062 6284 1 9 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.084 -0.075 25062 6285 1 9 . 1 1 46 46 LYS C C 46 178.775 178.775 178.944 -0.169 25062 6286 1 9 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.077 0.825 25062 6287 1 9 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.333 0.369 25062 6288 1 9 . 1 1 46 46 LYS H H 46 7.854 7.854 7.459 0.395 25062 6289 1 9 . 1 1 47 47 ALA N N 47 122.551 122.551 122.408 0.143 25062 6290 1 9 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.025 0.103 25062 6291 1 9 . 1 1 47 47 ALA C C 47 180.095 180.095 178.936 1.159 25062 6292 1 9 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.211 0.192 25062 6293 1 9 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.375 -0.670 25062 6294 1 9 . 1 1 47 47 ALA H H 47 8.135 8.135 8.049 0.086 25062 6295 1 9 . 1 1 48 48 ARG N N 48 118.945 118.945 118.811 0.134 25062 6296 1 9 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.993 0.064 25062 6297 1 9 . 1 1 48 48 ARG C C 48 179.960 179.960 178.374 1.586 25062 6298 1 9 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.072 0.215 25062 6299 1 9 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.250 -0.798 25062 6300 1 9 . 1 1 48 48 ARG H H 48 8.655 8.655 8.061 0.594 25062 6301 1 9 . 1 1 49 49 LYS N N 49 119.557 119.557 118.785 0.772 25062 6302 1 9 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.114 -0.057 25062 6303 1 9 . 1 1 49 49 LYS C C 49 178.288 178.288 178.717 -0.429 25062 6304 1 9 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.447 0.523 25062 6305 1 9 . 1 1 49 49 LYS CB C 49 32.653 32.653 31.874 0.779 25062 6306 1 9 . 1 1 49 49 LYS H H 49 8.058 8.058 7.532 0.526 25062 6307 1 9 . 1 1 50 50 GLN N N 50 115.215 115.215 115.443 -0.228 25062 6308 1 9 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.340 0.037 25062 6309 1 9 . 1 1 50 50 GLN C C 50 176.439 176.439 176.257 0.182 25062 6310 1 9 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.617 0.356 25062 6311 1 9 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.101 0.708 25062 6312 1 9 . 1 1 50 50 GLN H H 50 7.938 7.938 7.704 0.234 25062 6313 1 9 . 1 1 51 51 GLY N N 51 109.413 109.413 107.638 1.775 25062 6314 1 9 . 1 1 51 51 GLY C C 51 174.570 174.570 174.212 0.358 25062 6315 1 9 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.588 1.007 25062 6316 1 9 . 1 1 51 51 GLY H H 51 8.070 8.070 7.438 0.632 25062 6317 1 9 . 1 1 52 52 ARG N N 52 119.414 119.414 119.169 0.245 25062 6318 1 9 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.742 0.160 25062 6319 1 9 . 1 1 52 52 ARG C C 52 173.093 173.093 174.171 -1.078 25062 6320 1 9 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.624 0.353 25062 6321 1 9 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.357 1.053 25062 6322 1 9 . 1 1 52 52 ARG H H 52 7.950 7.950 7.935 0.015 25062 6323 1 9 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.844 0.230 25062 6324 1 9 . 1 1 53 53 PRO C C 53 174.179 174.179 175.948 -1.769 25062 6325 1 9 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.749 -0.772 25062 6326 1 9 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.672 -0.138 25062 6327 1 9 . 1 1 54 54 ILE N N 54 115.161 115.161 119.259 -4.098 25062 6328 1 9 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.640 0.318 25062 6329 1 9 . 1 1 54 54 ILE C C 54 172.097 172.097 173.472 -1.375 25062 6330 1 9 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.819 -1.046 25062 6331 1 9 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.747 -0.012 25062 6332 1 9 . 1 1 54 54 ILE H H 54 7.718 7.718 8.348 -0.630 25062 6333 1 9 . 1 1 55 55 VAL N N 55 126.019 126.019 128.904 -2.885 25062 6334 1 9 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.518 0.362 25062 6335 1 9 . 1 1 55 55 VAL C C 55 173.844 173.844 174.484 -0.640 25062 6336 1 9 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.364 -1.071 25062 6337 1 9 . 1 1 55 55 VAL CB C 55 33.268 33.268 32.675 0.593 25062 6338 1 9 . 1 1 55 55 VAL H H 55 8.352 8.352 8.780 -0.428 25062 6339 1 9 . 1 1 56 56 VAL N N 56 127.584 127.584 125.813 1.771 25062 6340 1 9 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.400 0.041 25062 6341 1 9 . 1 1 56 56 VAL C C 56 173.968 173.968 174.097 -0.129 25062 6342 1 9 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.963 -0.420 25062 6343 1 9 . 1 1 56 56 VAL CB C 56 34.380 34.380 35.313 -0.933 25062 6344 1 9 . 1 1 56 56 VAL H H 56 9.291 9.291 8.663 0.628 25062 6345 1 9 . 1 1 57 57 PHE N N 57 125.432 125.432 125.648 -0.216 25062 6346 1 9 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.317 -0.387 25062 6347 1 9 . 1 1 57 57 PHE C C 57 174.987 174.987 174.964 0.023 25062 6348 1 9 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.063 2.145 25062 6349 1 9 . 1 1 57 57 PHE CB C 57 39.886 39.886 40.628 -0.742 25062 6350 1 9 . 1 1 57 57 PHE H H 57 8.585 8.585 8.916 -0.331 25062 6351 1 9 . 1 1 58 58 VAL N N 58 123.763 123.763 121.979 1.784 25062 6352 1 9 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.416 -0.214 25062 6353 1 9 . 1 1 58 58 VAL C C 58 174.791 174.791 175.142 -0.351 25062 6354 1 9 . 1 1 58 58 VAL CA C 58 60.881 60.881 59.638 1.243 25062 6355 1 9 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.555 -0.843 25062 6356 1 9 . 1 1 58 58 VAL H H 58 9.008 9.008 8.868 0.140 25062 6357 1 9 . 1 1 59 59 ARG N N 59 127.924 127.924 123.349 4.575 25062 6358 1 9 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.843 -0.261 25062 6359 1 9 . 1 1 59 59 ARG C C 59 177.755 177.755 178.646 -0.891 25062 6360 1 9 . 1 1 59 59 ARG CA C 59 56.538 56.538 56.749 -0.211 25062 6361 1 9 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.168 -0.655 25062 6362 1 9 . 1 1 59 59 ARG H H 59 8.820 8.820 8.768 0.052 25062 6363 1 9 . 1 1 60 60 GLY N N 60 110.441 110.441 111.233 -0.792 25062 6364 1 9 . 1 1 60 60 GLY C C 60 174.818 174.818 175.283 -0.465 25062 6365 1 9 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.968 0.020 25062 6366 1 9 . 1 1 60 60 GLY H H 60 8.200 8.200 8.631 -0.431 25062 6367 1 9 . 1 1 61 61 GLY N N 61 109.411 109.411 106.262 3.149 25062 6368 1 9 . 1 1 61 61 GLY C C 61 174.550 174.550 174.885 -0.335 25062 6369 1 9 . 1 1 61 61 GLY CA C 61 45.431 45.431 44.911 0.520 25062 6370 1 9 . 1 1 61 61 GLY H H 61 7.995 7.995 8.487 -0.492 25062 6371 1 9 . 1 1 62 62 ASP N N 62 122.920 122.920 122.219 0.701 25062 6372 1 9 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.855 0.166 25062 6373 1 9 . 1 1 62 62 ASP C C 62 176.247 176.247 175.708 0.539 25062 6374 1 9 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.950 -1.423 25062 6375 1 9 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.822 -1.007 25062 6376 1 9 . 1 1 62 62 ASP H H 62 8.090 8.090 7.558 0.532 25062 6377 1 9 . 1 1 63 63 ASP N N 63 121.058 121.058 119.714 1.344 25062 6378 1 9 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.347 -0.081 25062 6379 1 9 . 1 1 63 63 ASP C C 63 178.418 178.418 177.421 0.997 25062 6380 1 9 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.221 0.120 25062 6381 1 9 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.743 0.828 25062 6382 1 9 . 1 1 63 63 ASP H H 63 8.023 8.023 8.155 -0.132 25062 6383 1 9 . 1 1 64 64 GLU N N 64 119.564 119.564 119.322 0.242 25062 6384 1 9 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.096 -0.045 25062 6385 1 9 . 1 1 64 64 GLU C C 64 178.321 178.321 178.369 -0.048 25062 6386 1 9 . 1 1 64 64 GLU CA C 64 59.382 59.382 58.817 0.565 25062 6387 1 9 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.466 -0.422 25062 6388 1 9 . 1 1 64 64 GLU H H 64 8.760 8.760 8.587 0.173 25062 6389 1 9 . 1 1 65 65 ARG N N 65 119.839 119.839 119.273 0.566 25062 6390 1 9 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.204 -0.008 25062 6391 1 9 . 1 1 65 65 ARG C C 65 178.305 178.305 178.396 -0.091 25062 6392 1 9 . 1 1 65 65 ARG CA C 65 59.052 59.052 57.939 1.113 25062 6393 1 9 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.593 1.044 25062 6394 1 9 . 1 1 65 65 ARG H H 65 7.643 7.643 7.511 0.132 25062 6395 1 9 . 1 1 66 66 ALA N N 66 118.984 118.984 121.983 -2.999 25062 6396 1 9 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.046 -0.180 25062 6397 1 9 . 1 1 66 66 ALA C C 66 178.638 178.638 179.462 -0.824 25062 6398 1 9 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.339 0.127 25062 6399 1 9 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.174 0.187 25062 6400 1 9 . 1 1 66 66 ALA H H 66 7.782 7.782 8.098 -0.316 25062 6401 1 9 . 1 1 67 67 LYS N N 67 117.711 117.711 116.650 1.061 25062 6402 1 9 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.102 -0.083 25062 6403 1 9 . 1 1 67 67 LYS C C 67 178.363 178.363 178.520 -0.157 25062 6404 1 9 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.523 0.050 25062 6405 1 9 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.110 0.114 25062 6406 1 9 . 1 1 67 67 LYS H H 67 8.010 8.010 7.983 0.027 25062 6407 1 9 . 1 1 68 68 ASP N N 68 119.581 119.581 120.469 -0.888 25062 6408 1 9 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.556 -0.142 25062 6409 1 9 . 1 1 68 68 ASP C C 68 179.235 179.235 178.672 0.563 25062 6410 1 9 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.895 -0.401 25062 6411 1 9 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.778 0.609 25062 6412 1 9 . 1 1 68 68 ASP H H 68 7.999 7.999 7.553 0.446 25062 6413 1 9 . 1 1 69 69 ILE N N 69 119.307 119.307 120.422 -1.115 25062 6414 1 9 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.697 -0.104 25062 6415 1 9 . 1 1 69 69 ILE C C 69 176.927 176.927 177.843 -0.916 25062 6416 1 9 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.108 0.118 25062 6417 1 9 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.808 0.055 25062 6418 1 9 . 1 1 69 69 ILE H H 69 8.283 8.283 8.069 0.214 25062 6419 1 9 . 1 1 70 70 ALA N N 70 121.395 121.395 121.366 0.029 25062 6420 1 9 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.783 -0.051 25062 6421 1 9 . 1 1 70 70 ALA C C 70 178.770 178.770 179.069 -0.299 25062 6422 1 9 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.011 0.530 25062 6423 1 9 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.431 0.713 25062 6424 1 9 . 1 1 70 70 ALA H H 70 8.200 8.200 8.142 0.058 25062 6425 1 9 . 1 1 71 71 GLU N N 71 116.210 116.210 119.681 -3.471 25062 6426 1 9 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.177 -0.031 25062 6427 1 9 . 1 1 71 71 GLU C C 71 179.215 179.215 178.723 0.492 25062 6428 1 9 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.930 0.503 25062 6429 1 9 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.905 -0.321 25062 6430 1 9 . 1 1 71 71 GLU H H 71 8.402 8.402 7.818 0.584 25062 6431 1 9 . 1 1 72 72 TYR N N 72 121.372 121.372 120.441 0.931 25062 6432 1 9 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.223 -0.021 25062 6433 1 9 . 1 1 72 72 TYR C C 72 176.699 176.699 176.806 -0.107 25062 6434 1 9 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.056 0.250 25062 6435 1 9 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.509 -0.270 25062 6436 1 9 . 1 1 72 72 TYR H H 72 8.031 8.031 7.902 0.129 25062 6437 1 9 . 1 1 73 73 ALA N N 73 119.994 119.994 121.231 -1.237 25062 6438 1 9 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.800 -0.189 25062 6439 1 9 . 1 1 73 73 ALA C C 73 178.786 178.786 179.236 -0.450 25062 6440 1 9 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.226 -0.055 25062 6441 1 9 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.162 0.339 25062 6442 1 9 . 1 1 73 73 ALA H H 73 8.588 8.588 8.137 0.451 25062 6443 1 9 . 1 1 74 74 GLN N N 74 116.775 116.775 117.301 -0.526 25062 6444 1 9 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.200 0.107 25062 6445 1 9 . 1 1 74 74 GLN C C 74 180.672 180.672 177.857 2.815 25062 6446 1 9 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.026 1.150 25062 6447 1 9 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.360 0.837 25062 6448 1 9 . 1 1 74 74 GLN H H 74 8.382 8.382 8.107 0.275 25062 6449 1 9 . 1 1 75 75 LYS N N 75 122.969 122.969 120.156 2.813 25062 6450 1 9 . 1 1 75 75 LYS HA H 75 4.056 4.056 3.995 0.061 25062 6451 1 9 . 1 1 75 75 LYS C C 75 178.547 178.547 178.748 -0.201 25062 6452 1 9 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.870 0.357 25062 6453 1 9 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.200 -0.438 25062 6454 1 9 . 1 1 75 75 LYS H H 75 8.248 8.248 7.352 0.896 25062 6455 1 9 . 1 1 76 76 GLU N N 76 117.058 117.058 116.055 1.003 25062 6456 1 9 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.099 -0.004 25062 6457 1 9 . 1 1 76 76 GLU C C 76 176.070 176.070 176.952 -0.882 25062 6458 1 9 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.270 -0.412 25062 6459 1 9 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.052 0.746 25062 6460 1 9 . 1 1 76 76 GLU H H 76 7.522 7.522 7.490 0.032 25062 6461 1 9 . 1 1 77 77 GLY N N 77 106.537 106.537 107.556 -1.019 25062 6462 1 9 . 1 1 77 77 GLY C C 77 174.570 174.570 173.614 0.956 25062 6463 1 9 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.757 -0.278 25062 6464 1 9 . 1 1 77 77 GLY H H 77 7.797 7.797 7.620 0.177 25062 6465 1 9 . 1 1 78 78 LEU N N 78 121.257 121.257 119.155 2.102 25062 6466 1 9 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.702 -0.296 25062 6467 1 9 . 1 1 78 78 LEU C C 78 176.139 176.139 176.238 -0.099 25062 6468 1 9 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.120 1.184 25062 6469 1 9 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.174 -1.062 25062 6470 1 9 . 1 1 78 78 LEU H H 78 8.008 8.008 7.602 0.406 25062 6471 1 9 . 1 1 79 79 ARG N N 79 121.135 121.135 124.623 -3.488 25062 6472 1 9 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.291 0.113 25062 6473 1 9 . 1 1 79 79 ARG C C 79 174.598 174.598 174.932 -0.334 25062 6474 1 9 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.439 -0.555 25062 6475 1 9 . 1 1 79 79 ARG CB C 79 31.367 31.367 31.178 0.189 25062 6476 1 9 . 1 1 79 79 ARG H H 79 8.062 8.062 8.144 -0.082 25062 6477 1 9 . 1 1 80 80 VAL N N 80 123.517 123.517 126.498 -2.981 25062 6478 1 9 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.584 0.181 25062 6479 1 9 . 1 1 80 80 VAL C C 80 175.373 175.373 174.815 0.558 25062 6480 1 9 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.739 -0.102 25062 6481 1 9 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.728 1.275 25062 6482 1 9 . 1 1 80 80 VAL H H 80 8.377 8.377 8.547 -0.170 25062 6483 1 9 . 1 1 81 81 ILE N N 81 129.083 129.083 129.573 -0.490 25062 6484 1 9 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.963 -0.080 25062 6485 1 9 . 1 1 81 81 ILE C C 81 173.899 173.899 174.615 -0.716 25062 6486 1 9 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.350 0.376 25062 6487 1 9 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.760 0.322 25062 6488 1 9 . 1 1 81 81 ILE H H 81 8.812 8.812 8.741 0.071 25062 6489 1 9 . 1 1 82 82 VAL N N 82 126.531 126.531 128.751 -2.220 25062 6490 1 9 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.736 0.251 25062 6491 1 9 . 1 1 82 82 VAL C C 82 174.164 174.164 174.976 -0.812 25062 6492 1 9 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.405 -1.081 25062 6493 1 9 . 1 1 82 82 VAL CB C 82 34.417 34.417 33.061 1.356 25062 6494 1 9 . 1 1 82 82 VAL H H 82 9.085 9.085 8.666 0.419 25062 6495 1 9 . 1 1 83 83 ILE N N 83 127.143 127.143 129.110 -1.967 25062 6496 1 9 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.882 0.022 25062 6497 1 9 . 1 1 83 83 ILE C C 83 174.044 174.044 175.664 -1.620 25062 6498 1 9 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.364 -0.348 25062 6499 1 9 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.784 1.032 25062 6500 1 9 . 1 1 83 83 ILE H H 83 9.391 9.391 8.604 0.787 25062 6501 1 9 . 1 1 84 84 ILE N N 84 126.750 126.750 129.448 -2.698 25062 6502 1 9 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.539 -0.093 25062 6503 1 9 . 1 1 84 84 ILE C C 84 174.788 174.788 175.322 -0.534 25062 6504 1 9 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.910 0.142 25062 6505 1 9 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.261 1.771 25062 6506 1 9 . 1 1 84 84 ILE H H 84 8.714 8.714 8.841 -0.127 25062 6507 1 9 . 1 1 85 85 VAL N N 85 127.160 127.160 128.976 -1.816 25062 6508 1 9 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.716 0.263 25062 6509 1 9 . 1 1 85 85 VAL C C 85 176.539 176.539 174.790 1.749 25062 6510 1 9 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.509 -1.447 25062 6511 1 9 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.575 0.299 25062 6512 1 9 . 1 1 85 85 VAL H H 85 8.464 8.464 8.629 -0.165 25062 6513 1 9 . 1 1 86 86 SER N N 86 121.723 121.723 120.432 1.291 25062 6514 1 9 . 1 1 86 86 SER HA H 86 4.490 4.490 4.844 -0.354 25062 6515 1 9 . 1 1 86 86 SER C C 86 172.447 172.447 173.877 -1.430 25062 6516 1 9 . 1 1 86 86 SER CA C 86 58.131 58.131 56.596 1.535 25062 6517 1 9 . 1 1 86 86 SER CB C 86 64.121 64.121 65.430 -1.309 25062 6518 1 9 . 1 1 86 86 SER H H 86 8.725 8.725 8.715 0.010 25062 6519 1 9 . 1 1 87 87 GLN N N 87 121.657 121.657 123.835 -2.178 25062 6520 1 9 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.355 0.214 25062 6521 1 9 . 1 1 87 87 GLN C C 87 175.732 175.732 175.785 -0.053 25062 6522 1 9 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.006 -0.580 25062 6523 1 9 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.006 0.113 25062 6524 1 9 . 1 1 87 87 GLN H H 87 8.516 8.516 8.791 -0.275 25062 6525 1 9 . 1 1 88 88 ASP N N 88 121.146 121.146 122.461 -1.315 25062 6526 1 9 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.725 -0.025 25062 6527 1 9 . 1 1 88 88 ASP C C 88 175.752 175.752 176.231 -0.479 25062 6528 1 9 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.824 -1.745 25062 6529 1 9 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.228 -0.025 25062 6530 1 9 . 1 1 88 88 ASP H H 88 8.459 8.459 7.565 0.894 25062 6531 1 9 . 1 1 89 89 GLU N N 89 125.736 125.736 124.784 0.952 25062 6532 1 9 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.906 0.028 25062 6533 1 9 . 1 1 89 89 GLU C C 89 178.820 178.820 178.486 0.334 25062 6534 1 9 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.877 -0.333 25062 6535 1 9 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.598 0.029 25062 6536 1 9 . 1 1 89 89 GLU H H 89 8.840 8.840 8.862 -0.022 25062 6537 1 9 . 1 1 90 90 GLU N N 90 119.813 119.813 119.156 0.657 25062 6538 1 9 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.092 0.144 25062 6539 1 9 . 1 1 90 90 GLU C C 90 178.385 178.385 178.359 0.026 25062 6540 1 9 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.211 -0.404 25062 6541 1 9 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.129 0.048 25062 6542 1 9 . 1 1 90 90 GLU H H 90 8.300 8.300 8.615 -0.315 25062 6543 1 9 . 1 1 91 91 ALA N N 91 123.211 123.211 122.496 0.715 25062 6544 1 9 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.184 -0.053 25062 6545 1 9 . 1 1 91 91 ALA C C 91 181.895 181.895 179.754 2.141 25062 6546 1 9 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.416 0.284 25062 6547 1 9 . 1 1 91 91 ALA CB C 91 17.881 17.881 17.972 -0.091 25062 6548 1 9 . 1 1 91 91 ALA H H 91 7.670 7.670 8.146 -0.476 25062 6549 1 9 . 1 1 92 92 LEU N N 92 118.903 118.903 118.857 0.046 25062 6550 1 9 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.859 0.146 25062 6551 1 9 . 1 1 92 92 LEU C C 92 177.951 177.951 179.286 -1.335 25062 6552 1 9 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.007 -0.057 25062 6553 1 9 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.548 0.634 25062 6554 1 9 . 1 1 92 92 LEU H H 92 8.190 8.190 8.036 0.154 25062 6555 1 9 . 1 1 93 93 ARG N N 93 118.916 118.916 118.267 0.649 25062 6556 1 9 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.090 0.008 25062 6557 1 9 . 1 1 93 93 ARG C C 93 178.775 178.775 178.848 -0.073 25062 6558 1 9 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.700 -0.359 25062 6559 1 9 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.005 0.140 25062 6560 1 9 . 1 1 93 93 ARG H H 93 7.868 7.868 7.659 0.209 25062 6561 1 9 . 1 1 94 94 LYS N N 94 118.989 118.989 119.730 -0.741 25062 6562 1 9 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.085 -0.028 25062 6563 1 9 . 1 1 94 94 LYS C C 94 179.270 179.270 179.170 0.100 25062 6564 1 9 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.739 -0.504 25062 6565 1 9 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.227 0.207 25062 6566 1 9 . 1 1 94 94 LYS H H 94 8.236 8.236 8.052 0.184 25062 6567 1 9 . 1 1 95 95 GLY N N 95 107.084 107.084 106.059 1.025 25062 6568 1 9 . 1 1 95 95 GLY C C 95 175.285 175.285 175.746 -0.461 25062 6569 1 9 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.510 0.535 25062 6570 1 9 . 1 1 95 95 GLY H H 95 8.296 8.296 7.691 0.605 25062 6571 1 9 . 1 1 96 96 TYR N N 96 121.591 121.591 123.804 -2.213 25062 6572 1 9 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.123 -0.077 25062 6573 1 9 . 1 1 96 96 TYR C C 96 176.428 176.428 177.637 -1.209 25062 6574 1 9 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.334 0.110 25062 6575 1 9 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.565 0.025 25062 6576 1 9 . 1 1 96 96 TYR H H 96 8.372 8.372 8.007 0.365 25062 6577 1 9 . 1 1 97 97 GLU N N 97 117.883 117.883 116.997 0.886 25062 6578 1 9 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.742 0.089 25062 6579 1 9 . 1 1 97 97 GLU C C 97 178.775 178.775 178.743 0.032 25062 6580 1 9 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.986 0.263 25062 6581 1 9 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.343 0.199 25062 6582 1 9 . 1 1 97 97 GLU H H 97 8.205 8.205 8.156 0.049 25062 6583 1 9 . 1 1 98 98 ASP N N 98 117.644 117.644 120.316 -2.672 25062 6584 1 9 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.379 -0.034 25062 6585 1 9 . 1 1 98 98 ASP C C 98 177.978 177.978 178.336 -0.358 25062 6586 1 9 . 1 1 98 98 ASP CA C 98 57.113 57.113 56.956 0.157 25062 6587 1 9 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.922 1.069 25062 6588 1 9 . 1 1 98 98 ASP H H 98 8.139 8.139 7.740 0.399 25062 6589 1 9 . 1 1 99 99 LYS N N 99 116.691 116.691 118.527 -1.836 25062 6590 1 9 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.096 -0.072 25062 6591 1 9 . 1 1 99 99 LYS C C 99 178.061 178.061 179.123 -1.062 25062 6592 1 9 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.275 -0.269 25062 6593 1 9 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.368 0.008 25062 6594 1 9 . 1 1 99 99 LYS H H 99 7.886 7.886 7.849 0.037 25062 6595 1 9 . 1 1 100 100 LYS N N 100 120.645 120.645 119.592 1.053 25062 6596 1 9 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.176 -0.102 25062 6597 1 9 . 1 1 100 100 LYS C C 100 180.486 180.486 178.706 1.780 25062 6598 1 9 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.683 -0.500 25062 6599 1 9 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.147 -0.780 25062 6600 1 9 . 1 1 100 100 LYS H H 100 8.395 8.395 7.457 0.938 25062 6601 1 9 . 1 1 101 101 LYS N N 101 119.297 119.297 118.975 0.322 25062 6602 1 9 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.002 0.080 25062 6603 1 9 . 1 1 101 101 LYS C C 101 177.669 177.669 178.241 -0.572 25062 6604 1 9 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.575 -0.109 25062 6605 1 9 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.217 0.028 25062 6606 1 9 . 1 1 101 101 LYS H H 101 7.713 7.713 7.591 0.122 25062 6607 1 9 . 1 1 102 102 LYS N N 102 116.847 116.847 115.898 0.949 25062 6608 1 9 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.163 -0.070 25062 6609 1 9 . 1 1 102 102 LYS C C 102 176.357 176.357 175.989 0.368 25062 6610 1 9 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.546 0.243 25062 6611 1 9 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.485 -0.482 25062 6612 1 9 . 1 1 102 102 LYS H H 102 7.124 7.124 7.284 -0.160 25062 6613 1 9 . 1 1 103 103 GLY N N 103 105.781 105.781 106.302 -0.521 25062 6614 1 9 . 1 1 103 103 GLY C C 103 174.378 174.378 174.490 -0.112 25062 6615 1 9 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.789 0.265 25062 6616 1 9 . 1 1 103 103 GLY H H 103 7.771 7.771 7.032 0.739 25062 6617 1 9 . 1 1 104 104 TYR N N 104 119.257 119.257 118.744 0.513 25062 6618 1 9 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.589 0.349 25062 6619 1 9 . 1 1 104 104 TYR C C 104 175.223 175.223 175.439 -0.216 25062 6620 1 9 . 1 1 104 104 TYR CA C 104 54.451 54.451 54.975 -0.524 25062 6621 1 9 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.681 -1.936 25062 6622 1 9 . 1 1 104 104 TYR H H 104 6.914 6.914 7.513 -0.599 25062 6623 1 9 . 1 1 105 105 ASP N N 105 122.574 122.574 124.967 -2.393 25062 6624 1 9 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.667 0.114 25062 6625 1 9 . 1 1 105 105 ASP C C 105 174.818 174.818 175.316 -0.498 25062 6626 1 9 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.900 -0.685 25062 6627 1 9 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.843 0.958 25062 6628 1 9 . 1 1 105 105 ASP H H 105 8.223 8.223 8.743 -0.520 25062 6629 1 9 . 1 1 106 106 VAL N N 106 121.990 121.990 122.463 -0.473 25062 6630 1 9 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.911 0.346 25062 6631 1 9 . 1 1 106 106 VAL C C 106 173.835 173.835 175.563 -1.728 25062 6632 1 9 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.841 -0.799 25062 6633 1 9 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.936 1.443 25062 6634 1 9 . 1 1 106 106 VAL H H 106 7.876 7.876 7.903 -0.027 25062 6635 1 9 . 1 1 107 107 TYR N N 107 125.444 125.444 124.881 0.563 25062 6636 1 9 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.952 0.055 25062 6637 1 9 . 1 1 107 107 TYR C C 107 174.765 174.765 174.866 -0.101 25062 6638 1 9 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.434 -0.369 25062 6639 1 9 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.850 0.039 25062 6640 1 9 . 1 1 107 107 TYR H H 107 9.400 9.400 9.321 0.079 25062 6641 1 9 . 1 1 108 108 THR N N 108 111.100 111.100 114.867 -3.767 25062 6642 1 9 . 1 1 108 108 THR HA H 108 5.212 5.212 4.976 0.236 25062 6643 1 9 . 1 1 108 108 THR C C 108 174.350 174.350 173.918 0.432 25062 6644 1 9 . 1 1 108 108 THR CA C 108 59.514 59.514 60.327 -0.813 25062 6645 1 9 . 1 1 108 108 THR CB C 108 70.911 70.911 70.207 0.704 25062 6646 1 9 . 1 1 108 108 THR H H 108 8.801 8.801 8.475 0.326 25062 6647 1 9 . 1 1 109 109 SER N N 109 114.650 114.650 120.969 -6.319 25062 6648 1 9 . 1 1 109 109 SER HA H 109 4.901 4.901 5.359 -0.458 25062 6649 1 9 . 1 1 109 109 SER C C 109 172.399 172.399 174.692 -2.293 25062 6650 1 9 . 1 1 109 109 SER CA C 109 57.974 57.974 56.360 1.614 25062 6651 1 9 . 1 1 109 109 SER CB C 109 67.764 67.764 66.122 1.642 25062 6652 1 9 . 1 1 109 109 SER H H 109 8.565 8.565 8.842 -0.277 25062 6653 1 9 . 1 1 110 110 ARG N N 110 119.807 119.807 123.135 -3.328 25062 6654 1 9 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.653 0.356 25062 6655 1 9 . 1 1 110 110 ARG C C 110 175.995 175.995 175.826 0.169 25062 6656 1 9 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.600 -1.591 25062 6657 1 9 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.169 0.648 25062 6658 1 9 . 1 1 110 110 ARG H H 110 8.948 8.948 8.468 0.480 25062 6659 1 9 . 1 1 111 111 ASN N N 111 110.690 110.690 112.957 -2.267 25062 6660 1 9 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.773 -0.140 25062 6661 1 9 . 1 1 111 111 ASN C C 111 174.460 174.460 174.376 0.084 25062 6662 1 9 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.340 -0.970 25062 6663 1 9 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.631 -0.514 25062 6664 1 9 . 1 1 111 111 ASN H H 111 7.426 7.426 7.514 -0.088 25062 6665 1 9 . 1 1 112 112 GLU N N 112 119.451 119.451 120.254 -0.803 25062 6666 1 9 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.009 -0.201 25062 6667 1 9 . 1 1 112 112 GLU C C 112 176.445 176.445 177.421 -0.976 25062 6668 1 9 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.603 0.590 25062 6669 1 9 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.419 1.187 25062 6670 1 9 . 1 1 112 112 GLU H H 112 9.529 9.529 9.040 0.489 25062 6671 1 9 . 1 1 113 113 ASP N N 113 120.739 120.739 118.585 2.154 25062 6672 1 9 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.309 0.060 25062 6673 1 9 . 1 1 113 113 ASP C C 113 179.043 179.043 178.409 0.634 25062 6674 1 9 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.940 0.165 25062 6675 1 9 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.186 0.761 25062 6676 1 9 . 1 1 113 113 ASP H H 113 8.256 8.256 8.690 -0.434 25062 6677 1 9 . 1 1 114 114 GLU N N 114 119.817 119.817 120.229 -0.412 25062 6678 1 9 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.002 0.048 25062 6679 1 9 . 1 1 114 114 GLU C C 114 178.770 178.770 178.278 0.492 25062 6680 1 9 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.827 0.413 25062 6681 1 9 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.595 1.061 25062 6682 1 9 . 1 1 114 114 GLU H H 114 8.577 8.577 7.792 0.785 25062 6683 1 9 . 1 1 115 115 ALA N N 115 121.470 121.470 122.277 -0.807 25062 6684 1 9 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.034 0.021 25062 6685 1 9 . 1 1 115 115 ALA C C 115 178.962 178.962 179.230 -0.268 25062 6686 1 9 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.239 -0.026 25062 6687 1 9 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.254 1.603 25062 6688 1 9 . 1 1 115 115 ALA H H 115 8.358 8.358 8.044 0.314 25062 6689 1 9 . 1 1 116 116 LYS N N 116 117.285 117.285 118.725 -1.440 25062 6690 1 9 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.080 -0.422 25062 6691 1 9 . 1 1 116 116 LYS C C 116 178.583 178.583 178.694 -0.111 25062 6692 1 9 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.443 1.474 25062 6693 1 9 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.303 0.508 25062 6694 1 9 . 1 1 116 116 LYS H H 116 8.350 8.350 8.215 0.135 25062 6695 1 9 . 1 1 117 117 LYS N N 117 118.433 118.433 119.014 -0.581 25062 6696 1 9 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.968 0.018 25062 6697 1 9 . 1 1 117 117 LYS C C 117 179.380 179.380 179.065 0.315 25062 6698 1 9 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.810 -0.205 25062 6699 1 9 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.389 -0.007 25062 6700 1 9 . 1 1 117 117 LYS H H 117 7.345 7.345 7.448 -0.103 25062 6701 1 9 . 1 1 118 118 LYS N N 118 118.166 118.166 118.506 -0.340 25062 6702 1 9 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.959 -0.020 25062 6703 1 9 . 1 1 118 118 LYS C C 118 178.088 178.088 179.017 -0.929 25062 6704 1 9 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.019 -0.463 25062 6705 1 9 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.840 -0.700 25062 6706 1 9 . 1 1 118 118 LYS H H 118 8.130 8.130 7.993 0.137 25062 6707 1 9 . 1 1 119 119 LEU N N 119 120.654 120.654 121.376 -0.722 25062 6708 1 9 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.939 -0.155 25062 6709 1 9 . 1 1 119 119 LEU C C 119 177.567 177.567 178.084 -0.517 25062 6710 1 9 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.855 0.059 25062 6711 1 9 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.795 0.379 25062 6712 1 9 . 1 1 119 119 LEU H H 119 8.592 8.592 7.885 0.707 25062 6713 1 9 . 1 1 120 120 LYS N N 120 118.314 118.314 118.398 -0.084 25062 6714 1 9 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.512 0.033 25062 6715 1 9 . 1 1 120 120 LYS C C 120 178.624 178.624 178.955 -0.331 25062 6716 1 9 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.676 0.614 25062 6717 1 9 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.907 -0.143 25062 6718 1 9 . 1 1 120 120 LYS H H 120 7.753 7.753 7.510 0.243 25062 6719 1 9 . 1 1 121 121 GLU N N 121 118.446 118.446 119.811 -1.365 25062 6720 1 9 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.012 -0.006 25062 6721 1 9 . 1 1 121 121 GLU C C 121 178.744 178.744 178.644 0.100 25062 6722 1 9 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.320 0.219 25062 6723 1 9 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.514 -0.151 25062 6724 1 9 . 1 1 121 121 GLU H H 121 7.777 7.777 8.181 -0.404 25062 6725 1 9 . 1 1 122 122 ALA N N 122 121.333 121.333 121.840 -0.507 25062 6726 1 9 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.012 -0.056 25062 6727 1 9 . 1 1 122 122 ALA C C 122 179.973 179.973 179.711 0.262 25062 6728 1 9 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.711 0.249 25062 6729 1 9 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.401 0.027 25062 6730 1 9 . 1 1 122 122 ALA H H 122 8.229 8.229 7.681 0.548 25062 6731 1 9 . 1 1 123 123 LEU N N 123 118.790 118.790 118.768 0.022 25062 6732 1 9 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.986 -0.206 25062 6733 1 9 . 1 1 123 123 LEU C C 123 179.703 179.703 179.029 0.674 25062 6734 1 9 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.294 0.595 25062 6735 1 9 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.752 -0.900 25062 6736 1 9 . 1 1 123 123 LEU H H 123 8.177 8.177 7.803 0.374 25062 6737 1 9 . 1 1 124 124 GLU N N 124 120.881 120.881 117.860 3.021 25062 6738 1 9 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.175 -0.031 25062 6739 1 9 . 1 1 124 124 GLU C C 124 179.732 179.732 178.503 1.229 25062 6740 1 9 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.584 0.855 25062 6741 1 9 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.697 -0.177 25062 6742 1 9 . 1 1 124 124 GLU H H 124 8.393 8.393 7.861 0.532 25062 6743 1 9 . 1 1 125 125 LYS N N 125 119.526 119.526 116.536 2.990 25062 6744 1 9 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.263 -0.004 25062 6745 1 9 . 1 1 125 125 LYS C C 125 177.862 177.862 177.577 0.285 25062 6746 1 9 . 1 1 125 125 LYS CA C 125 57.945 57.945 56.939 1.006 25062 6747 1 9 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.406 -0.049 25062 6748 1 9 . 1 1 125 125 LYS H H 125 8.290 8.290 8.108 0.182 25062 6749 1 9 . 1 1 126 126 SER N N 126 114.103 114.103 111.010 3.093 25062 6750 1 9 . 1 1 126 126 SER HA H 126 4.385 4.385 4.524 -0.139 25062 6751 1 9 . 1 1 126 126 SER C C 126 174.460 174.460 175.359 -0.899 25062 6752 1 9 . 1 1 126 126 SER CA C 126 59.611 59.611 59.260 0.351 25062 6753 1 9 . 1 1 126 126 SER CB C 126 63.479 63.479 65.168 -1.689 25062 6754 1 9 . 1 1 126 126 SER H H 126 7.702 7.702 7.536 0.166 25062 6755 1 9 . 1 1 127 127 GLY N N 127 108.584 108.584 109.878 -1.294 25062 6756 1 9 . 1 1 127 127 GLY C C 127 174.103 174.103 174.111 -0.008 25062 6757 1 9 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.025 0.412 25062 6758 1 9 . 1 1 127 127 GLY H H 127 7.933 7.933 7.782 0.151 25062 6759 1 9 . 1 1 128 128 SER N N 128 115.990 115.990 121.470 -5.480 25062 6760 1 9 . 1 1 128 128 SER HA H 128 4.590 4.590 4.464 0.126 25062 6761 1 9 . 1 1 128 128 SER C C 128 174.412 174.412 174.219 0.193 25062 6762 1 9 . 1 1 128 128 SER CA C 128 57.986 57.986 59.541 -1.555 25062 6763 1 9 . 1 1 128 128 SER CB C 128 63.336 63.336 62.221 1.115 25062 6764 1 9 . 1 1 128 128 SER H H 128 8.091 8.091 8.023 0.068 25062 6765 1 9 . 1 1 129 129 LEU N N 129 125.492 125.492 125.977 -0.485 25062 6766 1 9 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.333 0.108 25062 6767 1 9 . 1 1 129 129 LEU C C 129 177.084 177.084 176.957 0.127 25062 6768 1 9 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.881 -0.005 25062 6769 1 9 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.644 -0.335 25062 6770 1 9 . 1 1 129 129 LEU H H 129 8.262 8.262 7.807 0.455 25062 6771 1 9 . 1 1 130 130 GLU N N 130 121.006 121.006 120.759 0.247 25062 6772 1 9 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.073 -0.098 25062 6773 1 9 . 1 1 130 130 GLU C C 130 176.435 176.435 176.354 0.081 25062 6774 1 9 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.022 0.790 25062 6775 1 9 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.515 -0.236 25062 6776 1 9 . 1 1 130 130 GLU H H 130 8.398 8.398 8.296 0.102 25062 6777 1 9 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.366 0.225 25062 6778 1 9 . 1 1 131 131 HIS C C 131 174.179 174.179 175.799 -1.620 25062 6779 1 9 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.742 -0.593 25062 6780 1 9 . 1 1 131 131 HIS CB C 131 30.831 30.831 28.735 2.096 25062 6781 1 9 . 1 1 132 132 HIS N N 132 125.794 125.794 121.969 3.825 25062 6782 1 9 . 1 1 132 132 HIS HA H 132 4.416 4.416 3.946 0.470 25062 6783 1 9 . 1 1 132 132 HIS C C 132 179.523 179.523 173.930 5.593 25062 6784 1 9 . 1 1 132 132 HIS CA C 132 57.516 57.516 58.287 -0.771 25062 6785 1 9 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.271 1.737 25062 6786 1 9 . 1 1 132 132 HIS H H 132 7.935 7.935 8.495 -0.560 25062 6787 1 10 . 1 1 2 2 GLY N N 2 109.342 109.342 110.394 -1.052 25062 6788 1 10 . 1 1 2 2 GLY C C 2 172.736 172.736 172.924 -0.188 25062 6789 1 10 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.815 0.841 25062 6790 1 10 . 1 1 2 2 GLY H H 2 8.632 8.632 8.468 0.164 25062 6791 1 10 . 1 1 3 3 VAL N N 3 123.457 123.457 123.514 -0.057 25062 6792 1 10 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.455 0.526 25062 6793 1 10 . 1 1 3 3 VAL C C 3 173.780 173.780 174.474 -0.694 25062 6794 1 10 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.177 -0.827 25062 6795 1 10 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.457 0.656 25062 6796 1 10 . 1 1 3 3 VAL H H 3 7.516 7.516 7.655 -0.139 25062 6797 1 10 . 1 1 4 4 VAL N N 4 125.375 125.375 126.672 -1.297 25062 6798 1 10 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.509 0.022 25062 6799 1 10 . 1 1 4 4 VAL C C 4 173.185 173.185 174.993 -1.808 25062 6800 1 10 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.623 -0.122 25062 6801 1 10 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.222 1.573 25062 6802 1 10 . 1 1 4 4 VAL H H 4 8.810 8.810 8.587 0.223 25062 6803 1 10 . 1 1 5 5 ILE N N 5 127.180 127.180 129.575 -2.395 25062 6804 1 10 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.607 0.262 25062 6805 1 10 . 1 1 5 5 ILE C C 5 174.303 174.303 174.782 -0.479 25062 6806 1 10 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.057 -0.647 25062 6807 1 10 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.210 0.433 25062 6808 1 10 . 1 1 5 5 ILE H H 5 8.800 8.800 9.059 -0.259 25062 6809 1 10 . 1 1 6 6 LEU N N 6 129.025 129.025 129.366 -0.341 25062 6810 1 10 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.997 0.016 25062 6811 1 10 . 1 1 6 6 LEU C C 6 174.847 174.847 176.338 -1.491 25062 6812 1 10 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.655 -0.187 25062 6813 1 10 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.268 2.025 25062 6814 1 10 . 1 1 6 6 LEU H H 6 9.424 9.424 9.049 0.375 25062 6815 1 10 . 1 1 7 7 VAL N N 7 123.364 123.364 126.268 -2.904 25062 6816 1 10 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.432 0.225 25062 6817 1 10 . 1 1 7 7 VAL C C 7 174.210 174.210 175.532 -1.322 25062 6818 1 10 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.992 -0.165 25062 6819 1 10 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.066 1.187 25062 6820 1 10 . 1 1 7 7 VAL H H 7 8.653 8.653 8.901 -0.248 25062 6821 1 10 . 1 1 8 8 LEU N N 8 130.560 130.560 131.901 -1.341 25062 6822 1 10 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.880 0.416 25062 6823 1 10 . 1 1 8 8 LEU C C 8 175.744 175.744 176.846 -1.102 25062 6824 1 10 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.381 -0.495 25062 6825 1 10 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.370 1.126 25062 6826 1 10 . 1 1 8 8 LEU H H 8 9.069 9.069 8.709 0.360 25062 6827 1 10 . 1 1 9 9 THR N N 9 112.810 112.810 114.815 -2.005 25062 6828 1 10 . 1 1 9 9 THR HA H 9 4.959 4.959 5.215 -0.256 25062 6829 1 10 . 1 1 9 9 THR C C 9 174.213 174.213 176.260 -2.047 25062 6830 1 10 . 1 1 9 9 THR CA C 9 59.948 59.948 59.668 0.280 25062 6831 1 10 . 1 1 9 9 THR CB C 9 70.756 70.756 71.046 -0.290 25062 6832 1 10 . 1 1 9 9 THR H H 9 8.028 8.028 8.570 -0.542 25062 6833 1 10 . 1 1 10 10 GLY N N 10 107.740 107.740 111.518 -3.778 25062 6834 1 10 . 1 1 10 10 GLY C C 10 173.064 173.064 173.791 -0.727 25062 6835 1 10 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.704 -0.274 25062 6836 1 10 . 1 1 10 10 GLY H H 10 7.827 7.827 8.779 -0.952 25062 6837 1 10 . 1 1 11 11 ASP N N 11 119.119 119.119 118.855 0.264 25062 6838 1 10 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.808 0.045 25062 6839 1 10 . 1 1 11 11 ASP C C 11 176.118 176.118 176.280 -0.162 25062 6840 1 10 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.476 0.496 25062 6841 1 10 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.447 -0.206 25062 6842 1 10 . 1 1 11 11 ASP H H 11 7.642 7.642 7.675 -0.033 25062 6843 1 10 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.078 0.022 25062 6844 1 10 . 1 1 12 12 GLU C C 12 178.508 178.508 177.419 1.089 25062 6845 1 10 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.663 -0.199 25062 6846 1 10 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.545 -0.212 25062 6847 1 10 . 1 1 13 13 ARG N N 13 121.589 121.589 117.994 3.595 25062 6848 1 10 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.172 -0.035 25062 6849 1 10 . 1 1 13 13 ARG C C 13 179.625 179.625 178.412 1.213 25062 6850 1 10 . 1 1 13 13 ARG CA C 13 59.418 59.418 56.764 2.655 25062 6851 1 10 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.797 -0.442 25062 6852 1 10 . 1 1 13 13 ARG H H 13 8.593 8.593 7.805 0.788 25062 6853 1 10 . 1 1 14 14 ILE N N 14 119.911 119.911 120.514 -0.603 25062 6854 1 10 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.739 -0.089 25062 6855 1 10 . 1 1 14 14 ILE C C 14 177.727 177.727 177.575 0.152 25062 6856 1 10 . 1 1 14 14 ILE CA C 14 65.158 65.158 65.115 0.042 25062 6857 1 10 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.530 -0.191 25062 6858 1 10 . 1 1 14 14 ILE H H 14 7.823 7.823 7.752 0.071 25062 6859 1 10 . 1 1 15 15 ALA N N 15 121.015 121.015 121.202 -0.187 25062 6860 1 10 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.765 -0.046 25062 6861 1 10 . 1 1 15 15 ALA C C 15 178.994 178.994 179.226 -0.232 25062 6862 1 10 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.153 0.737 25062 6863 1 10 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.668 0.183 25062 6864 1 10 . 1 1 15 15 ALA H H 15 7.610 7.610 7.588 0.022 25062 6865 1 10 . 1 1 16 16 GLU N N 16 117.655 117.655 118.394 -0.739 25062 6866 1 10 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.857 0.277 25062 6867 1 10 . 1 1 16 16 GLU C C 16 178.517 178.517 179.022 -0.505 25062 6868 1 10 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.200 -0.921 25062 6869 1 10 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.369 -0.147 25062 6870 1 10 . 1 1 16 16 GLU H H 16 7.808 7.808 7.677 0.131 25062 6871 1 10 . 1 1 17 17 GLU N N 17 119.648 119.648 119.260 0.388 25062 6872 1 10 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.099 -0.045 25062 6873 1 10 . 1 1 17 17 GLU C C 17 180.213 180.213 179.231 0.982 25062 6874 1 10 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.513 0.721 25062 6875 1 10 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.400 -0.248 25062 6876 1 10 . 1 1 17 17 GLU H H 17 8.002 8.002 7.660 0.342 25062 6877 1 10 . 1 1 18 18 LEU N N 18 119.118 119.118 119.757 -0.639 25062 6878 1 10 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.101 -0.001 25062 6879 1 10 . 1 1 18 18 LEU C C 18 178.233 178.233 178.871 -0.638 25062 6880 1 10 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.321 0.485 25062 6881 1 10 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.607 -0.736 25062 6882 1 10 . 1 1 18 18 LEU H H 18 8.554 8.554 8.145 0.409 25062 6883 1 10 . 1 1 19 19 ARG N N 19 122.158 122.158 119.755 2.403 25062 6884 1 10 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.162 -0.347 25062 6885 1 10 . 1 1 19 19 ARG C C 19 178.686 178.686 178.279 0.407 25062 6886 1 10 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.995 0.921 25062 6887 1 10 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.939 -0.600 25062 6888 1 10 . 1 1 19 19 ARG H H 19 8.274 8.274 7.868 0.406 25062 6889 1 10 . 1 1 20 20 LYS N N 20 118.130 118.130 118.515 -0.385 25062 6890 1 10 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.026 -0.091 25062 6891 1 10 . 1 1 20 20 LYS C C 20 179.078 179.078 178.899 0.179 25062 6892 1 10 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.773 -0.020 25062 6893 1 10 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.123 0.317 25062 6894 1 10 . 1 1 20 20 LYS H H 20 7.977 7.977 7.426 0.551 25062 6895 1 10 . 1 1 21 21 GLU N N 21 120.451 120.451 119.227 1.224 25062 6896 1 10 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.129 -0.074 25062 6897 1 10 . 1 1 21 21 GLU C C 21 178.995 178.995 179.211 -0.216 25062 6898 1 10 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.907 0.196 25062 6899 1 10 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.152 0.011 25062 6900 1 10 . 1 1 21 21 GLU H H 21 7.813 7.813 7.709 0.104 25062 6901 1 10 . 1 1 22 22 VAL N N 22 119.654 119.654 120.356 -0.702 25062 6902 1 10 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.593 -0.153 25062 6903 1 10 . 1 1 22 22 VAL C C 22 176.428 176.428 177.902 -1.474 25062 6904 1 10 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.780 0.341 25062 6905 1 10 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.523 -0.070 25062 6906 1 10 . 1 1 22 22 VAL H H 22 8.146 8.146 7.920 0.226 25062 6907 1 10 . 1 1 23 23 GLN N N 23 116.884 116.884 117.070 -0.186 25062 6908 1 10 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.110 -0.158 25062 6909 1 10 . 1 1 23 23 GLN C C 23 177.429 177.429 177.823 -0.394 25062 6910 1 10 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.144 0.623 25062 6911 1 10 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.330 0.221 25062 6912 1 10 . 1 1 23 23 GLN H H 23 7.588 7.588 7.739 -0.151 25062 6913 1 10 . 1 1 24 24 LYS N N 24 116.529 116.529 116.642 -0.113 25062 6914 1 10 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.356 -0.360 25062 6915 1 10 . 1 1 24 24 LYS C C 24 177.508 177.508 178.258 -0.750 25062 6916 1 10 . 1 1 24 24 LYS CA C 24 58.414 58.414 56.779 1.635 25062 6917 1 10 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.612 0.305 25062 6918 1 10 . 1 1 24 24 LYS H H 24 7.544 7.544 7.722 -0.178 25062 6919 1 10 . 1 1 25 25 HIS N N 25 119.657 119.657 118.531 1.126 25062 6920 1 10 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.510 -0.257 25062 6921 1 10 . 1 1 25 25 HIS C C 25 175.915 175.915 174.966 0.949 25062 6922 1 10 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.288 1.154 25062 6923 1 10 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.784 0.086 25062 6924 1 10 . 1 1 25 25 HIS H H 25 7.809 7.809 7.845 -0.036 25062 6925 1 10 . 1 1 26 26 ASP N N 26 113.221 113.221 115.512 -2.291 25062 6926 1 10 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.993 -0.258 25062 6927 1 10 . 1 1 26 26 ASP C C 26 173.856 173.856 174.442 -0.586 25062 6928 1 10 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.637 -0.967 25062 6929 1 10 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.566 -0.200 25062 6930 1 10 . 1 1 26 26 ASP H H 26 8.358 8.358 8.354 0.004 25062 6931 1 10 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.711 -0.145 25062 6932 1 10 . 1 1 27 27 PRO C C 27 176.845 176.845 176.689 0.156 25062 6933 1 10 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.669 0.208 25062 6934 1 10 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.395 -0.110 25062 6935 1 10 . 1 1 28 28 ASN N N 28 115.529 115.529 116.091 -0.562 25062 6936 1 10 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.631 0.041 25062 6937 1 10 . 1 1 28 28 ASN C C 28 175.632 175.632 175.037 0.595 25062 6938 1 10 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.681 -0.866 25062 6939 1 10 . 1 1 28 28 ASN CB C 28 39.094 39.094 38.585 0.509 25062 6940 1 10 . 1 1 28 28 ASN H H 28 8.570 8.570 8.610 -0.040 25062 6941 1 10 . 1 1 29 29 VAL N N 29 121.867 121.867 121.295 0.572 25062 6942 1 10 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.137 -0.253 25062 6943 1 10 . 1 1 29 29 VAL C C 29 175.085 175.085 175.399 -0.314 25062 6944 1 10 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.961 0.214 25062 6945 1 10 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.531 0.467 25062 6946 1 10 . 1 1 29 29 VAL H H 29 7.465 7.465 7.421 0.044 25062 6947 1 10 . 1 1 30 30 LYS N N 30 130.242 130.242 127.938 2.304 25062 6948 1 10 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.350 0.084 25062 6949 1 10 . 1 1 30 30 LYS C C 30 175.093 175.093 175.813 -0.720 25062 6950 1 10 . 1 1 30 30 LYS CA C 30 55.373 55.373 56.683 -1.310 25062 6951 1 10 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.672 -1.245 25062 6952 1 10 . 1 1 30 30 LYS H H 30 9.036 9.036 8.481 0.555 25062 6953 1 10 . 1 1 31 31 THR N N 31 113.173 113.173 113.868 -0.695 25062 6954 1 10 . 1 1 31 31 THR HA H 31 5.688 5.688 5.421 0.267 25062 6955 1 10 . 1 1 31 31 THR C C 31 174.708 174.708 174.230 0.478 25062 6956 1 10 . 1 1 31 31 THR CA C 31 58.537 58.537 60.211 -1.674 25062 6957 1 10 . 1 1 31 31 THR CB C 31 71.419 71.419 70.928 0.491 25062 6958 1 10 . 1 1 31 31 THR H H 31 8.185 8.185 8.138 0.047 25062 6959 1 10 . 1 1 32 32 VAL N N 32 122.168 122.168 125.384 -3.216 25062 6960 1 10 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.685 0.210 25062 6961 1 10 . 1 1 32 32 VAL C C 32 173.388 173.388 174.249 -0.861 25062 6962 1 10 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.824 -0.091 25062 6963 1 10 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.163 -0.259 25062 6964 1 10 . 1 1 32 32 VAL H H 32 8.968 8.968 8.462 0.506 25062 6965 1 10 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.870 0.104 25062 6966 1 10 . 1 1 33 33 PRO C C 33 177.848 177.848 177.571 0.277 25062 6967 1 10 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.632 -0.290 25062 6968 1 10 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.484 0.537 25062 6969 1 10 . 1 1 34 34 THR N N 34 114.266 114.266 110.141 4.125 25062 6970 1 10 . 1 1 34 34 THR HA H 34 4.118 4.118 4.053 0.065 25062 6971 1 10 . 1 1 34 34 THR C C 34 176.879 176.879 175.892 0.987 25062 6972 1 10 . 1 1 34 34 THR CA C 34 64.607 64.607 65.357 -0.750 25062 6973 1 10 . 1 1 34 34 THR CB C 34 68.311 68.311 68.964 -0.653 25062 6974 1 10 . 1 1 34 34 THR H H 34 9.033 9.033 8.285 0.748 25062 6975 1 10 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.155 0.090 25062 6976 1 10 . 1 1 35 35 LYS C C 35 176.639 176.639 177.182 -0.543 25062 6977 1 10 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.290 -0.156 25062 6978 1 10 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.911 0.392 25062 6979 1 10 . 1 1 36 36 ASP N N 36 120.993 120.993 121.075 -0.082 25062 6980 1 10 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.861 0.154 25062 6981 1 10 . 1 1 36 36 ASP C C 36 176.202 176.202 175.917 0.285 25062 6982 1 10 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.187 0.249 25062 6983 1 10 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.295 0.815 25062 6984 1 10 . 1 1 36 36 ASP H H 36 7.726 7.726 7.587 0.139 25062 6985 1 10 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.832 0.156 25062 6986 1 10 . 1 1 37 37 LYS C C 37 177.948 177.948 178.097 -0.149 25062 6987 1 10 . 1 1 37 37 LYS CA C 37 59.308 59.308 60.179 -0.871 25062 6988 1 10 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.518 0.330 25062 6989 1 10 . 1 1 38 38 GLU N N 38 119.141 119.141 117.921 1.220 25062 6990 1 10 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.094 0.156 25062 6991 1 10 . 1 1 38 38 GLU C C 38 178.054 178.054 178.624 -0.570 25062 6992 1 10 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.900 -0.398 25062 6993 1 10 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.117 0.090 25062 6994 1 10 . 1 1 38 38 GLU H H 38 8.883 8.883 8.558 0.325 25062 6995 1 10 . 1 1 39 39 LYS N N 39 118.440 118.440 120.043 -1.603 25062 6996 1 10 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.333 0.174 25062 6997 1 10 . 1 1 39 39 LYS C C 39 177.126 177.126 178.480 -1.354 25062 6998 1 10 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.571 -2.264 25062 6999 1 10 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.001 0.423 25062 7000 1 10 . 1 1 39 39 LYS H H 39 8.064 8.064 7.921 0.143 25062 7001 1 10 . 1 1 40 40 VAL N N 40 118.130 118.130 119.714 -1.584 25062 7002 1 10 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.603 -0.208 25062 7003 1 10 . 1 1 40 40 VAL C C 40 176.934 176.934 177.715 -0.781 25062 7004 1 10 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.717 0.904 25062 7005 1 10 . 1 1 40 40 VAL CB C 40 31.655 31.655 30.871 0.784 25062 7006 1 10 . 1 1 40 40 VAL H H 40 7.308 7.308 8.189 -0.881 25062 7007 1 10 . 1 1 41 41 LYS N N 41 118.555 118.555 119.597 -1.042 25062 7008 1 10 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.898 -0.255 25062 7009 1 10 . 1 1 41 41 LYS C C 41 178.363 178.363 178.840 -0.477 25062 7010 1 10 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.672 1.615 25062 7011 1 10 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.998 -0.544 25062 7012 1 10 . 1 1 41 41 LYS H H 41 8.150 8.150 7.656 0.494 25062 7013 1 10 . 1 1 42 42 GLU N N 42 119.454 119.454 118.588 0.866 25062 7014 1 10 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.046 0.052 25062 7015 1 10 . 1 1 42 42 GLU C C 42 179.552 179.552 178.994 0.558 25062 7016 1 10 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.346 -0.090 25062 7017 1 10 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.586 0.008 25062 7018 1 10 . 1 1 42 42 GLU H H 42 8.067 8.067 7.618 0.449 25062 7019 1 10 . 1 1 43 43 GLU N N 43 118.427 118.427 118.921 -0.494 25062 7020 1 10 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.141 0.154 25062 7021 1 10 . 1 1 43 43 GLU C C 43 180.076 180.076 179.186 0.890 25062 7022 1 10 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.263 0.192 25062 7023 1 10 . 1 1 43 43 GLU CB C 43 28.645 28.645 28.916 -0.271 25062 7024 1 10 . 1 1 43 43 GLU H H 43 8.189 8.189 7.886 0.303 25062 7025 1 10 . 1 1 44 44 ILE N N 44 122.905 122.905 120.294 2.611 25062 7026 1 10 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.611 0.024 25062 7027 1 10 . 1 1 44 44 ILE C C 44 176.828 176.828 177.783 -0.955 25062 7028 1 10 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.013 0.384 25062 7029 1 10 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.784 -0.245 25062 7030 1 10 . 1 1 44 44 ILE H H 44 8.734 8.734 8.135 0.599 25062 7031 1 10 . 1 1 45 45 GLU N N 45 120.098 120.098 119.935 0.163 25062 7032 1 10 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.033 0.106 25062 7033 1 10 . 1 1 45 45 GLU C C 45 178.930 178.930 178.762 0.168 25062 7034 1 10 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.312 0.177 25062 7035 1 10 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.443 -0.295 25062 7036 1 10 . 1 1 45 45 GLU H H 45 8.099 8.099 8.041 0.058 25062 7037 1 10 . 1 1 46 46 LYS N N 46 118.360 118.360 119.059 -0.699 25062 7038 1 10 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.137 -0.128 25062 7039 1 10 . 1 1 46 46 LYS C C 46 178.775 178.775 178.908 -0.133 25062 7040 1 10 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.878 1.024 25062 7041 1 10 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.373 0.329 25062 7042 1 10 . 1 1 46 46 LYS H H 46 7.854 7.854 7.589 0.265 25062 7043 1 10 . 1 1 47 47 ALA N N 47 122.551 122.551 122.686 -0.135 25062 7044 1 10 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.065 0.063 25062 7045 1 10 . 1 1 47 47 ALA C C 47 180.095 180.095 179.207 0.888 25062 7046 1 10 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.054 0.348 25062 7047 1 10 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.407 -0.702 25062 7048 1 10 . 1 1 47 47 ALA H H 47 8.135 8.135 8.350 -0.215 25062 7049 1 10 . 1 1 48 48 ARG N N 48 118.945 118.945 118.323 0.622 25062 7050 1 10 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.005 0.052 25062 7051 1 10 . 1 1 48 48 ARG C C 48 179.960 179.960 179.094 0.866 25062 7052 1 10 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.319 -0.032 25062 7053 1 10 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.120 -0.668 25062 7054 1 10 . 1 1 48 48 ARG H H 48 8.655 8.655 7.764 0.891 25062 7055 1 10 . 1 1 49 49 LYS N N 49 119.557 119.557 119.434 0.123 25062 7056 1 10 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.115 -0.058 25062 7057 1 10 . 1 1 49 49 LYS C C 49 178.288 178.288 178.484 -0.196 25062 7058 1 10 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.607 0.363 25062 7059 1 10 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.233 0.420 25062 7060 1 10 . 1 1 49 49 LYS H H 49 8.058 8.058 7.620 0.438 25062 7061 1 10 . 1 1 50 50 GLN N N 50 115.215 115.215 115.115 0.100 25062 7062 1 10 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.404 -0.027 25062 7063 1 10 . 1 1 50 50 GLN C C 50 176.439 176.439 176.485 -0.046 25062 7064 1 10 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.102 0.870 25062 7065 1 10 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.120 0.688 25062 7066 1 10 . 1 1 50 50 GLN H H 50 7.938 7.938 7.719 0.219 25062 7067 1 10 . 1 1 51 51 GLY N N 51 109.413 109.413 108.448 0.965 25062 7068 1 10 . 1 1 51 51 GLY C C 51 174.570 174.570 173.966 0.604 25062 7069 1 10 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.732 0.863 25062 7070 1 10 . 1 1 51 51 GLY H H 51 8.070 8.070 7.808 0.262 25062 7071 1 10 . 1 1 52 52 ARG N N 52 119.414 119.414 118.546 0.868 25062 7072 1 10 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.785 0.117 25062 7073 1 10 . 1 1 52 52 ARG C C 52 173.093 173.093 173.985 -0.892 25062 7074 1 10 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.980 -0.003 25062 7075 1 10 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.593 -0.183 25062 7076 1 10 . 1 1 52 52 ARG H H 52 7.950 7.950 8.076 -0.126 25062 7077 1 10 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.969 0.105 25062 7078 1 10 . 1 1 53 53 PRO C C 53 174.179 174.179 175.890 -1.711 25062 7079 1 10 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.586 -0.609 25062 7080 1 10 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.935 -0.402 25062 7081 1 10 . 1 1 54 54 ILE N N 54 115.161 115.161 117.521 -2.360 25062 7082 1 10 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.573 0.385 25062 7083 1 10 . 1 1 54 54 ILE C C 54 172.097 172.097 173.384 -1.287 25062 7084 1 10 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.411 -1.638 25062 7085 1 10 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.663 0.072 25062 7086 1 10 . 1 1 54 54 ILE H H 54 7.718 7.718 8.234 -0.516 25062 7087 1 10 . 1 1 55 55 VAL N N 55 126.019 126.019 129.370 -3.351 25062 7088 1 10 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.513 0.367 25062 7089 1 10 . 1 1 55 55 VAL C C 55 173.844 173.844 174.658 -0.814 25062 7090 1 10 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.161 -0.868 25062 7091 1 10 . 1 1 55 55 VAL CB C 55 33.268 33.268 32.176 1.092 25062 7092 1 10 . 1 1 55 55 VAL H H 55 8.352 8.352 8.763 -0.411 25062 7093 1 10 . 1 1 56 56 VAL N N 56 127.584 127.584 128.389 -0.805 25062 7094 1 10 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.364 0.077 25062 7095 1 10 . 1 1 56 56 VAL C C 56 173.968 173.968 174.932 -0.964 25062 7096 1 10 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.297 -0.754 25062 7097 1 10 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.651 1.729 25062 7098 1 10 . 1 1 56 56 VAL H H 56 9.291 9.291 8.729 0.562 25062 7099 1 10 . 1 1 57 57 PHE N N 57 125.432 125.432 128.010 -2.578 25062 7100 1 10 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.965 -0.035 25062 7101 1 10 . 1 1 57 57 PHE C C 57 174.987 174.987 175.009 -0.022 25062 7102 1 10 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.308 0.900 25062 7103 1 10 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.101 0.785 25062 7104 1 10 . 1 1 57 57 PHE H H 57 8.585 8.585 8.673 -0.088 25062 7105 1 10 . 1 1 58 58 VAL N N 58 123.763 123.763 122.617 1.146 25062 7106 1 10 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.316 -0.114 25062 7107 1 10 . 1 1 58 58 VAL C C 58 174.791 174.791 175.412 -0.621 25062 7108 1 10 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.193 0.688 25062 7109 1 10 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.262 0.450 25062 7110 1 10 . 1 1 58 58 VAL H H 58 9.008 9.008 8.571 0.437 25062 7111 1 10 . 1 1 59 59 ARG N N 59 127.924 127.924 123.551 4.373 25062 7112 1 10 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.708 -0.126 25062 7113 1 10 . 1 1 59 59 ARG C C 59 177.755 177.755 177.204 0.551 25062 7114 1 10 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.735 0.803 25062 7115 1 10 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.976 -1.463 25062 7116 1 10 . 1 1 59 59 ARG H H 59 8.820 8.820 8.749 0.071 25062 7117 1 10 . 1 1 60 60 GLY N N 60 110.441 110.441 111.593 -1.152 25062 7118 1 10 . 1 1 60 60 GLY C C 60 174.818 174.818 174.139 0.679 25062 7119 1 10 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.629 1.359 25062 7120 1 10 . 1 1 60 60 GLY H H 60 8.200 8.200 8.450 -0.250 25062 7121 1 10 . 1 1 61 61 GLY N N 61 109.411 109.411 114.534 -5.123 25062 7122 1 10 . 1 1 61 61 GLY C C 61 174.550 174.550 174.869 -0.319 25062 7123 1 10 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.696 -0.265 25062 7124 1 10 . 1 1 61 61 GLY H H 61 7.995 7.995 7.887 0.108 25062 7125 1 10 . 1 1 62 62 ASP N N 62 122.920 122.920 124.236 -1.316 25062 7126 1 10 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.884 0.137 25062 7127 1 10 . 1 1 62 62 ASP C C 62 176.247 176.247 175.317 0.930 25062 7128 1 10 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.002 -1.475 25062 7129 1 10 . 1 1 62 62 ASP CB C 62 39.815 39.815 39.873 -0.058 25062 7130 1 10 . 1 1 62 62 ASP H H 62 8.090 8.090 8.014 0.076 25062 7131 1 10 . 1 1 63 63 ASP N N 63 121.058 121.058 121.319 -0.261 25062 7132 1 10 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.330 -0.064 25062 7133 1 10 . 1 1 63 63 ASP C C 63 178.418 178.418 177.380 1.038 25062 7134 1 10 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.195 0.146 25062 7135 1 10 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.560 0.012 25062 7136 1 10 . 1 1 63 63 ASP H H 63 8.023 8.023 7.773 0.250 25062 7137 1 10 . 1 1 64 64 GLU N N 64 119.564 119.564 119.992 -0.428 25062 7138 1 10 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.968 0.083 25062 7139 1 10 . 1 1 64 64 GLU C C 64 178.321 178.321 178.747 -0.426 25062 7140 1 10 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.934 -0.552 25062 7141 1 10 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.753 -0.709 25062 7142 1 10 . 1 1 64 64 GLU H H 64 8.760 8.760 8.571 0.189 25062 7143 1 10 . 1 1 65 65 ARG N N 65 119.839 119.839 117.809 2.030 25062 7144 1 10 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.289 -0.093 25062 7145 1 10 . 1 1 65 65 ARG C C 65 178.305 178.305 178.620 -0.315 25062 7146 1 10 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.672 0.380 25062 7147 1 10 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.651 0.986 25062 7148 1 10 . 1 1 65 65 ARG H H 65 7.643 7.643 8.359 -0.716 25062 7149 1 10 . 1 1 66 66 ALA N N 66 118.984 118.984 122.305 -3.321 25062 7150 1 10 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.044 -0.178 25062 7151 1 10 . 1 1 66 66 ALA C C 66 178.638 178.638 179.436 -0.798 25062 7152 1 10 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.234 0.232 25062 7153 1 10 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.268 0.093 25062 7154 1 10 . 1 1 66 66 ALA H H 66 7.782 7.782 8.079 -0.297 25062 7155 1 10 . 1 1 67 67 LYS N N 67 117.711 117.711 116.932 0.779 25062 7156 1 10 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.144 -0.125 25062 7157 1 10 . 1 1 67 67 LYS C C 67 178.363 178.363 178.968 -0.605 25062 7158 1 10 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.214 0.359 25062 7159 1 10 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.104 0.120 25062 7160 1 10 . 1 1 67 67 LYS H H 67 8.010 8.010 7.786 0.224 25062 7161 1 10 . 1 1 68 68 ASP N N 68 119.581 119.581 121.318 -1.737 25062 7162 1 10 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.468 -0.054 25062 7163 1 10 . 1 1 68 68 ASP C C 68 179.235 179.235 178.456 0.779 25062 7164 1 10 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.467 0.027 25062 7165 1 10 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.894 0.493 25062 7166 1 10 . 1 1 68 68 ASP H H 68 7.999 7.999 7.621 0.378 25062 7167 1 10 . 1 1 69 69 ILE N N 69 119.307 119.307 120.059 -0.752 25062 7168 1 10 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.733 -0.140 25062 7169 1 10 . 1 1 69 69 ILE C C 69 176.927 176.927 177.954 -1.027 25062 7170 1 10 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.068 0.158 25062 7171 1 10 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.757 0.106 25062 7172 1 10 . 1 1 69 69 ILE H H 69 8.283 8.283 8.231 0.052 25062 7173 1 10 . 1 1 70 70 ALA N N 70 121.395 121.395 121.564 -0.169 25062 7174 1 10 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.681 0.051 25062 7175 1 10 . 1 1 70 70 ALA C C 70 178.770 178.770 178.948 -0.178 25062 7176 1 10 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.018 0.523 25062 7177 1 10 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.401 0.743 25062 7178 1 10 . 1 1 70 70 ALA H H 70 8.200 8.200 7.788 0.412 25062 7179 1 10 . 1 1 71 71 GLU N N 71 116.210 116.210 120.342 -4.132 25062 7180 1 10 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.196 -0.050 25062 7181 1 10 . 1 1 71 71 GLU C C 71 179.215 179.215 178.821 0.394 25062 7182 1 10 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.131 0.302 25062 7183 1 10 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.895 -0.311 25062 7184 1 10 . 1 1 71 71 GLU H H 71 8.402 8.402 7.774 0.628 25062 7185 1 10 . 1 1 72 72 TYR N N 72 121.372 121.372 120.389 0.983 25062 7186 1 10 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.164 0.038 25062 7187 1 10 . 1 1 72 72 TYR C C 72 176.699 176.699 177.156 -0.457 25062 7188 1 10 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.212 0.094 25062 7189 1 10 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.405 -0.166 25062 7190 1 10 . 1 1 72 72 TYR H H 72 8.031 8.031 8.190 -0.159 25062 7191 1 10 . 1 1 73 73 ALA N N 73 119.994 119.994 121.488 -1.494 25062 7192 1 10 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.715 -0.104 25062 7193 1 10 . 1 1 73 73 ALA C C 73 178.786 178.786 178.985 -0.199 25062 7194 1 10 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.431 -0.260 25062 7195 1 10 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.971 0.530 25062 7196 1 10 . 1 1 73 73 ALA H H 73 8.588 8.588 8.276 0.312 25062 7197 1 10 . 1 1 74 74 GLN N N 74 116.775 116.775 118.100 -1.325 25062 7198 1 10 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.269 0.038 25062 7199 1 10 . 1 1 74 74 GLN C C 74 180.672 180.672 178.055 2.617 25062 7200 1 10 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.112 1.064 25062 7201 1 10 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.975 0.222 25062 7202 1 10 . 1 1 74 74 GLN H H 74 8.382 8.382 7.995 0.387 25062 7203 1 10 . 1 1 75 75 LYS N N 75 122.969 122.969 119.161 3.808 25062 7204 1 10 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.033 0.023 25062 7205 1 10 . 1 1 75 75 LYS C C 75 178.547 178.547 178.338 0.209 25062 7206 1 10 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.319 0.908 25062 7207 1 10 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.183 -0.420 25062 7208 1 10 . 1 1 75 75 LYS H H 75 8.248 8.248 7.800 0.448 25062 7209 1 10 . 1 1 76 76 GLU N N 76 117.058 117.058 115.235 1.823 25062 7210 1 10 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.191 -0.096 25062 7211 1 10 . 1 1 76 76 GLU C C 76 176.070 176.070 176.482 -0.412 25062 7212 1 10 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.076 -0.218 25062 7213 1 10 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.913 -0.115 25062 7214 1 10 . 1 1 76 76 GLU H H 76 7.522 7.522 7.631 -0.109 25062 7215 1 10 . 1 1 77 77 GLY N N 77 106.537 106.537 106.695 -0.158 25062 7216 1 10 . 1 1 77 77 GLY C C 77 174.570 174.570 174.486 0.084 25062 7217 1 10 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.474 0.005 25062 7218 1 10 . 1 1 77 77 GLY H H 77 7.797 7.797 7.576 0.221 25062 7219 1 10 . 1 1 78 78 LEU N N 78 121.257 121.257 119.426 1.831 25062 7220 1 10 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.426 -0.020 25062 7221 1 10 . 1 1 78 78 LEU C C 78 176.139 176.139 177.022 -0.883 25062 7222 1 10 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.947 0.357 25062 7223 1 10 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.869 -0.757 25062 7224 1 10 . 1 1 78 78 LEU H H 78 8.008 8.008 7.497 0.511 25062 7225 1 10 . 1 1 79 79 ARG N N 79 121.135 121.135 120.898 0.237 25062 7226 1 10 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.334 0.070 25062 7227 1 10 . 1 1 79 79 ARG C C 79 174.598 174.598 174.953 -0.355 25062 7228 1 10 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.217 -0.333 25062 7229 1 10 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.668 0.699 25062 7230 1 10 . 1 1 79 79 ARG H H 79 8.062 8.062 8.438 -0.376 25062 7231 1 10 . 1 1 80 80 VAL N N 80 123.517 123.517 124.496 -0.979 25062 7232 1 10 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.860 -0.095 25062 7233 1 10 . 1 1 80 80 VAL C C 80 175.373 175.373 175.238 0.135 25062 7234 1 10 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.491 0.146 25062 7235 1 10 . 1 1 80 80 VAL CB C 80 34.003 34.003 33.327 0.676 25062 7236 1 10 . 1 1 80 80 VAL H H 80 8.377 8.377 8.624 -0.247 25062 7237 1 10 . 1 1 81 81 ILE N N 81 129.083 129.083 128.404 0.679 25062 7238 1 10 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.849 0.034 25062 7239 1 10 . 1 1 81 81 ILE C C 81 173.899 173.899 174.587 -0.688 25062 7240 1 10 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.758 -0.032 25062 7241 1 10 . 1 1 81 81 ILE CB C 81 41.082 41.082 41.577 -0.495 25062 7242 1 10 . 1 1 81 81 ILE H H 81 8.812 8.812 8.806 0.006 25062 7243 1 10 . 1 1 82 82 VAL N N 82 126.531 126.531 127.350 -0.819 25062 7244 1 10 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.785 0.202 25062 7245 1 10 . 1 1 82 82 VAL C C 82 174.164 174.164 174.871 -0.707 25062 7246 1 10 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.317 -0.993 25062 7247 1 10 . 1 1 82 82 VAL CB C 82 34.417 34.417 33.648 0.769 25062 7248 1 10 . 1 1 82 82 VAL H H 82 9.085 9.085 8.429 0.656 25062 7249 1 10 . 1 1 83 83 ILE N N 83 127.143 127.143 128.842 -1.699 25062 7250 1 10 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.713 0.191 25062 7251 1 10 . 1 1 83 83 ILE C C 83 174.044 174.044 175.526 -1.482 25062 7252 1 10 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.620 -0.604 25062 7253 1 10 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.523 1.293 25062 7254 1 10 . 1 1 83 83 ILE H H 83 9.391 9.391 8.580 0.811 25062 7255 1 10 . 1 1 84 84 ILE N N 84 126.750 126.750 129.071 -2.321 25062 7256 1 10 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.564 -0.118 25062 7257 1 10 . 1 1 84 84 ILE C C 84 174.788 174.788 175.997 -1.209 25062 7258 1 10 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.829 0.223 25062 7259 1 10 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.004 2.028 25062 7260 1 10 . 1 1 84 84 ILE H H 84 8.714 8.714 8.963 -0.249 25062 7261 1 10 . 1 1 85 85 VAL N N 85 127.160 127.160 130.794 -3.634 25062 7262 1 10 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.526 0.453 25062 7263 1 10 . 1 1 85 85 VAL C C 85 176.539 176.539 174.953 1.586 25062 7264 1 10 . 1 1 85 85 VAL CA C 85 60.062 60.062 62.012 -1.950 25062 7265 1 10 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.489 0.385 25062 7266 1 10 . 1 1 85 85 VAL H H 85 8.464 8.464 8.819 -0.355 25062 7267 1 10 . 1 1 86 86 SER N N 86 121.723 121.723 122.232 -0.509 25062 7268 1 10 . 1 1 86 86 SER HA H 86 4.490 4.490 4.918 -0.428 25062 7269 1 10 . 1 1 86 86 SER C C 86 172.447 172.447 174.146 -1.699 25062 7270 1 10 . 1 1 86 86 SER CA C 86 58.131 58.131 57.477 0.654 25062 7271 1 10 . 1 1 86 86 SER CB C 86 64.121 64.121 66.897 -2.776 25062 7272 1 10 . 1 1 86 86 SER H H 86 8.725 8.725 8.935 -0.210 25062 7273 1 10 . 1 1 87 87 GLN N N 87 121.657 121.657 122.664 -1.007 25062 7274 1 10 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.094 0.475 25062 7275 1 10 . 1 1 87 87 GLN C C 87 175.732 175.732 175.718 0.014 25062 7276 1 10 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.806 -1.380 25062 7277 1 10 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.698 0.421 25062 7278 1 10 . 1 1 87 87 GLN H H 87 8.516 8.516 8.902 -0.386 25062 7279 1 10 . 1 1 88 88 ASP N N 88 121.146 121.146 122.196 -1.050 25062 7280 1 10 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.544 0.156 25062 7281 1 10 . 1 1 88 88 ASP C C 88 175.752 175.752 176.595 -0.843 25062 7282 1 10 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.878 -1.799 25062 7283 1 10 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.044 1.159 25062 7284 1 10 . 1 1 88 88 ASP H H 88 8.459 8.459 8.449 0.010 25062 7285 1 10 . 1 1 89 89 GLU N N 89 125.736 125.736 123.946 1.790 25062 7286 1 10 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.952 -0.018 25062 7287 1 10 . 1 1 89 89 GLU C C 89 178.820 178.820 178.010 0.810 25062 7288 1 10 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.476 0.068 25062 7289 1 10 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.951 -0.324 25062 7290 1 10 . 1 1 89 89 GLU H H 89 8.840 8.840 8.251 0.589 25062 7291 1 10 . 1 1 90 90 GLU N N 90 119.813 119.813 120.760 -0.947 25062 7292 1 10 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.078 0.158 25062 7293 1 10 . 1 1 90 90 GLU C C 90 178.385 178.385 178.541 -0.156 25062 7294 1 10 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.342 -0.535 25062 7295 1 10 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.059 0.118 25062 7296 1 10 . 1 1 90 90 GLU H H 90 8.300 8.300 8.580 -0.280 25062 7297 1 10 . 1 1 91 91 ALA N N 91 123.211 123.211 121.437 1.774 25062 7298 1 10 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.210 -0.079 25062 7299 1 10 . 1 1 91 91 ALA C C 91 181.895 181.895 179.877 2.018 25062 7300 1 10 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.694 0.006 25062 7301 1 10 . 1 1 91 91 ALA CB C 91 17.881 17.881 17.982 -0.101 25062 7302 1 10 . 1 1 91 91 ALA H H 91 7.670 7.670 8.131 -0.461 25062 7303 1 10 . 1 1 92 92 LEU N N 92 118.903 118.903 119.169 -0.266 25062 7304 1 10 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.881 0.124 25062 7305 1 10 . 1 1 92 92 LEU C C 92 177.951 177.951 179.283 -1.332 25062 7306 1 10 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.095 -0.145 25062 7307 1 10 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.623 0.559 25062 7308 1 10 . 1 1 92 92 LEU H H 92 8.190 8.190 7.896 0.294 25062 7309 1 10 . 1 1 93 93 ARG N N 93 118.916 118.916 118.172 0.744 25062 7310 1 10 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.127 -0.029 25062 7311 1 10 . 1 1 93 93 ARG C C 93 178.775 178.775 178.903 -0.128 25062 7312 1 10 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.617 -0.275 25062 7313 1 10 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.121 0.024 25062 7314 1 10 . 1 1 93 93 ARG H H 93 7.868 7.868 7.770 0.098 25062 7315 1 10 . 1 1 94 94 LYS N N 94 118.989 118.989 119.837 -0.848 25062 7316 1 10 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.070 -0.013 25062 7317 1 10 . 1 1 94 94 LYS C C 94 179.270 179.270 179.168 0.102 25062 7318 1 10 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.800 -0.565 25062 7319 1 10 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.227 0.207 25062 7320 1 10 . 1 1 94 94 LYS H H 94 8.236 8.236 8.294 -0.058 25062 7321 1 10 . 1 1 95 95 GLY N N 95 107.084 107.084 106.256 0.828 25062 7322 1 10 . 1 1 95 95 GLY C C 95 175.285 175.285 175.782 -0.497 25062 7323 1 10 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.591 0.454 25062 7324 1 10 . 1 1 95 95 GLY H H 95 8.296 8.296 7.890 0.406 25062 7325 1 10 . 1 1 96 96 TYR N N 96 121.591 121.591 123.498 -1.907 25062 7326 1 10 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.102 -0.056 25062 7327 1 10 . 1 1 96 96 TYR C C 96 176.428 176.428 177.465 -1.037 25062 7328 1 10 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.667 -0.223 25062 7329 1 10 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.596 -0.006 25062 7330 1 10 . 1 1 96 96 TYR H H 96 8.372 8.372 8.186 0.186 25062 7331 1 10 . 1 1 97 97 GLU N N 97 117.883 117.883 117.169 0.714 25062 7332 1 10 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.797 0.034 25062 7333 1 10 . 1 1 97 97 GLU C C 97 178.775 178.775 178.452 0.323 25062 7334 1 10 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.166 0.083 25062 7335 1 10 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.438 0.104 25062 7336 1 10 . 1 1 97 97 GLU H H 97 8.205 8.205 8.162 0.043 25062 7337 1 10 . 1 1 98 98 ASP N N 98 117.644 117.644 120.300 -2.656 25062 7338 1 10 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.377 -0.032 25062 7339 1 10 . 1 1 98 98 ASP C C 98 177.978 177.978 178.048 -0.070 25062 7340 1 10 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.032 0.081 25062 7341 1 10 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.950 1.041 25062 7342 1 10 . 1 1 98 98 ASP H H 98 8.139 8.139 7.750 0.389 25062 7343 1 10 . 1 1 99 99 LYS N N 99 116.691 116.691 118.393 -1.702 25062 7344 1 10 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.104 -0.080 25062 7345 1 10 . 1 1 99 99 LYS C C 99 178.061 178.061 178.745 -0.684 25062 7346 1 10 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.177 -0.171 25062 7347 1 10 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.489 -0.113 25062 7348 1 10 . 1 1 99 99 LYS H H 99 7.886 7.886 7.834 0.052 25062 7349 1 10 . 1 1 100 100 LYS N N 100 120.645 120.645 120.282 0.363 25062 7350 1 10 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.199 -0.125 25062 7351 1 10 . 1 1 100 100 LYS C C 100 180.486 180.486 178.253 2.233 25062 7352 1 10 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.995 -0.812 25062 7353 1 10 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.228 -0.862 25062 7354 1 10 . 1 1 100 100 LYS H H 100 8.395 8.395 7.923 0.472 25062 7355 1 10 . 1 1 101 101 LYS N N 101 119.297 119.297 116.679 2.618 25062 7356 1 10 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.059 0.023 25062 7357 1 10 . 1 1 101 101 LYS C C 101 177.669 177.669 178.324 -0.655 25062 7358 1 10 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.416 0.049 25062 7359 1 10 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.021 0.224 25062 7360 1 10 . 1 1 101 101 LYS H H 101 7.713 7.713 7.712 0.001 25062 7361 1 10 . 1 1 102 102 LYS N N 102 116.847 116.847 117.570 -0.723 25062 7362 1 10 . 1 1 102 102 LYS HA H 102 4.093 4.093 3.986 0.107 25062 7363 1 10 . 1 1 102 102 LYS C C 102 176.357 176.357 176.568 -0.211 25062 7364 1 10 . 1 1 102 102 LYS CA C 102 55.789 55.789 56.369 -0.580 25062 7365 1 10 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.258 -0.255 25062 7366 1 10 . 1 1 102 102 LYS H H 102 7.124 7.124 7.312 -0.188 25062 7367 1 10 . 1 1 103 103 GLY N N 103 105.781 105.781 105.531 0.250 25062 7368 1 10 . 1 1 103 103 GLY C C 103 174.378 174.378 174.538 -0.160 25062 7369 1 10 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.608 0.447 25062 7370 1 10 . 1 1 103 103 GLY H H 103 7.771 7.771 7.199 0.572 25062 7371 1 10 . 1 1 104 104 TYR N N 104 119.257 119.257 119.214 0.043 25062 7372 1 10 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.552 0.386 25062 7373 1 10 . 1 1 104 104 TYR C C 104 175.223 175.223 174.952 0.271 25062 7374 1 10 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.489 -1.038 25062 7375 1 10 . 1 1 104 104 TYR CB C 104 37.745 37.745 38.759 -1.014 25062 7376 1 10 . 1 1 104 104 TYR H H 104 6.914 6.914 7.571 -0.657 25062 7377 1 10 . 1 1 105 105 ASP N N 105 122.574 122.574 123.889 -1.315 25062 7378 1 10 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.612 0.169 25062 7379 1 10 . 1 1 105 105 ASP C C 105 174.818 174.818 174.965 -0.147 25062 7380 1 10 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.246 -0.031 25062 7381 1 10 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.319 0.482 25062 7382 1 10 . 1 1 105 105 ASP H H 105 8.223 8.223 8.633 -0.410 25062 7383 1 10 . 1 1 106 106 VAL N N 106 121.990 121.990 125.275 -3.285 25062 7384 1 10 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.807 0.450 25062 7385 1 10 . 1 1 106 106 VAL C C 106 173.835 173.835 175.398 -1.563 25062 7386 1 10 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.994 -0.952 25062 7387 1 10 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.450 0.929 25062 7388 1 10 . 1 1 106 106 VAL H H 106 7.876 7.876 7.761 0.115 25062 7389 1 10 . 1 1 107 107 TYR N N 107 125.444 125.444 124.910 0.534 25062 7390 1 10 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.966 0.041 25062 7391 1 10 . 1 1 107 107 TYR C C 107 174.765 174.765 174.951 -0.186 25062 7392 1 10 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.456 -0.391 25062 7393 1 10 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.505 -0.616 25062 7394 1 10 . 1 1 107 107 TYR H H 107 9.400 9.400 9.244 0.156 25062 7395 1 10 . 1 1 108 108 THR N N 108 111.100 111.100 113.820 -2.720 25062 7396 1 10 . 1 1 108 108 THR HA H 108 5.212 5.212 5.195 0.017 25062 7397 1 10 . 1 1 108 108 THR C C 108 174.350 174.350 173.607 0.743 25062 7398 1 10 . 1 1 108 108 THR CA C 108 59.514 59.514 60.256 -0.742 25062 7399 1 10 . 1 1 108 108 THR CB C 108 70.911 70.911 70.948 -0.037 25062 7400 1 10 . 1 1 108 108 THR H H 108 8.801 8.801 8.513 0.288 25062 7401 1 10 . 1 1 109 109 SER N N 109 114.650 114.650 116.975 -2.325 25062 7402 1 10 . 1 1 109 109 SER HA H 109 4.901 4.901 4.945 -0.044 25062 7403 1 10 . 1 1 109 109 SER C C 109 172.399 172.399 173.904 -1.505 25062 7404 1 10 . 1 1 109 109 SER CA C 109 57.974 57.974 57.703 0.271 25062 7405 1 10 . 1 1 109 109 SER CB C 109 67.764 67.764 66.267 1.497 25062 7406 1 10 . 1 1 109 109 SER H H 109 8.565 8.565 8.399 0.166 25062 7407 1 10 . 1 1 110 110 ARG N N 110 119.807 119.807 123.158 -3.351 25062 7408 1 10 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.916 0.093 25062 7409 1 10 . 1 1 110 110 ARG C C 110 175.995 175.995 176.706 -0.711 25062 7410 1 10 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.685 -0.676 25062 7411 1 10 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.338 0.479 25062 7412 1 10 . 1 1 110 110 ARG H H 110 8.948 8.948 8.603 0.345 25062 7413 1 10 . 1 1 111 111 ASN N N 111 110.690 110.690 114.349 -3.659 25062 7414 1 10 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.934 -0.301 25062 7415 1 10 . 1 1 111 111 ASN C C 111 174.460 174.460 174.967 -0.507 25062 7416 1 10 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.138 -0.768 25062 7417 1 10 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.228 -0.112 25062 7418 1 10 . 1 1 111 111 ASN H H 111 7.426 7.426 7.694 -0.268 25062 7419 1 10 . 1 1 112 112 GLU N N 112 119.451 119.451 119.083 0.368 25062 7420 1 10 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.013 -0.205 25062 7421 1 10 . 1 1 112 112 GLU C C 112 176.445 176.445 177.723 -1.278 25062 7422 1 10 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.802 0.391 25062 7423 1 10 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.546 1.060 25062 7424 1 10 . 1 1 112 112 GLU H H 112 9.529 9.529 8.787 0.742 25062 7425 1 10 . 1 1 113 113 ASP N N 113 120.739 120.739 119.492 1.247 25062 7426 1 10 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.362 0.007 25062 7427 1 10 . 1 1 113 113 ASP C C 113 179.043 179.043 178.734 0.309 25062 7428 1 10 . 1 1 113 113 ASP CA C 113 58.105 58.105 58.032 0.073 25062 7429 1 10 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.555 0.392 25062 7430 1 10 . 1 1 113 113 ASP H H 113 8.256 8.256 8.358 -0.102 25062 7431 1 10 . 1 1 114 114 GLU N N 114 119.817 119.817 120.162 -0.345 25062 7432 1 10 . 1 1 114 114 GLU HA H 114 4.050 4.050 3.997 0.053 25062 7433 1 10 . 1 1 114 114 GLU C C 114 178.770 178.770 178.662 0.108 25062 7434 1 10 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.941 0.299 25062 7435 1 10 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.575 1.081 25062 7436 1 10 . 1 1 114 114 GLU H H 114 8.577 8.577 7.777 0.800 25062 7437 1 10 . 1 1 115 115 ALA N N 115 121.470 121.470 122.141 -0.671 25062 7438 1 10 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.052 0.003 25062 7439 1 10 . 1 1 115 115 ALA C C 115 178.962 178.962 179.297 -0.335 25062 7440 1 10 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.105 0.108 25062 7441 1 10 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.429 1.428 25062 7442 1 10 . 1 1 115 115 ALA H H 115 8.358 8.358 8.080 0.278 25062 7443 1 10 . 1 1 116 116 LYS N N 116 117.285 117.285 118.522 -1.237 25062 7444 1 10 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.059 -0.401 25062 7445 1 10 . 1 1 116 116 LYS C C 116 178.583 178.583 178.787 -0.204 25062 7446 1 10 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.532 1.385 25062 7447 1 10 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.529 0.282 25062 7448 1 10 . 1 1 116 116 LYS H H 116 8.350 8.350 8.185 0.165 25062 7449 1 10 . 1 1 117 117 LYS N N 117 118.433 118.433 118.398 0.035 25062 7450 1 10 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.119 -0.133 25062 7451 1 10 . 1 1 117 117 LYS C C 117 179.380 179.380 178.835 0.545 25062 7452 1 10 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.256 0.349 25062 7453 1 10 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.066 0.317 25062 7454 1 10 . 1 1 117 117 LYS H H 117 7.345 7.345 7.703 -0.358 25062 7455 1 10 . 1 1 118 118 LYS N N 118 118.166 118.166 119.256 -1.090 25062 7456 1 10 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.875 0.064 25062 7457 1 10 . 1 1 118 118 LYS C C 118 178.088 178.088 178.588 -0.500 25062 7458 1 10 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.455 0.101 25062 7459 1 10 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.620 -0.480 25062 7460 1 10 . 1 1 118 118 LYS H H 118 8.130 8.130 8.038 0.092 25062 7461 1 10 . 1 1 119 119 LEU N N 119 120.654 120.654 121.465 -0.811 25062 7462 1 10 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.954 -0.170 25062 7463 1 10 . 1 1 119 119 LEU C C 119 177.567 177.567 177.995 -0.428 25062 7464 1 10 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.834 0.080 25062 7465 1 10 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.752 0.422 25062 7466 1 10 . 1 1 119 119 LEU H H 119 8.592 8.592 7.913 0.679 25062 7467 1 10 . 1 1 120 120 LYS N N 120 118.314 118.314 118.837 -0.523 25062 7468 1 10 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.543 0.002 25062 7469 1 10 . 1 1 120 120 LYS C C 120 178.624 178.624 178.809 -0.185 25062 7470 1 10 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.888 0.402 25062 7471 1 10 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.035 -0.272 25062 7472 1 10 . 1 1 120 120 LYS H H 120 7.753 7.753 7.604 0.149 25062 7473 1 10 . 1 1 121 121 GLU N N 121 118.446 118.446 118.776 -0.330 25062 7474 1 10 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.123 -0.117 25062 7475 1 10 . 1 1 121 121 GLU C C 121 178.744 178.744 178.815 -0.071 25062 7476 1 10 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.047 0.492 25062 7477 1 10 . 1 1 121 121 GLU CB C 121 29.363 29.363 28.763 0.600 25062 7478 1 10 . 1 1 121 121 GLU H H 121 7.777 7.777 7.877 -0.100 25062 7479 1 10 . 1 1 122 122 ALA N N 122 121.333 121.333 121.780 -0.447 25062 7480 1 10 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.143 -0.187 25062 7481 1 10 . 1 1 122 122 ALA C C 122 179.973 179.973 179.712 0.261 25062 7482 1 10 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.998 -0.038 25062 7483 1 10 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.392 0.036 25062 7484 1 10 . 1 1 122 122 ALA H H 122 8.229 8.229 7.402 0.827 25062 7485 1 10 . 1 1 123 123 LEU N N 123 118.790 118.790 118.551 0.239 25062 7486 1 10 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.079 -0.299 25062 7487 1 10 . 1 1 123 123 LEU C C 123 179.703 179.703 179.799 -0.096 25062 7488 1 10 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.427 0.462 25062 7489 1 10 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.788 -0.936 25062 7490 1 10 . 1 1 123 123 LEU H H 123 8.177 8.177 7.615 0.562 25062 7491 1 10 . 1 1 124 124 GLU N N 124 120.881 120.881 118.525 2.356 25062 7492 1 10 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.225 -0.081 25062 7493 1 10 . 1 1 124 124 GLU C C 124 179.732 179.732 178.669 1.063 25062 7494 1 10 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.263 0.176 25062 7495 1 10 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.842 -0.322 25062 7496 1 10 . 1 1 124 124 GLU H H 124 8.393 8.393 8.452 -0.059 25062 7497 1 10 . 1 1 125 125 LYS N N 125 119.526 119.526 117.177 2.349 25062 7498 1 10 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.231 0.028 25062 7499 1 10 . 1 1 125 125 LYS C C 125 177.862 177.862 177.269 0.593 25062 7500 1 10 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.066 0.878 25062 7501 1 10 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.695 -0.338 25062 7502 1 10 . 1 1 125 125 LYS H H 125 8.290 8.290 7.928 0.362 25062 7503 1 10 . 1 1 126 126 SER N N 126 114.103 114.103 114.577 -0.474 25062 7504 1 10 . 1 1 126 126 SER HA H 126 4.385 4.385 4.656 -0.271 25062 7505 1 10 . 1 1 126 126 SER C C 126 174.460 174.460 175.707 -1.247 25062 7506 1 10 . 1 1 126 126 SER CA C 126 59.611 59.611 57.455 2.156 25062 7507 1 10 . 1 1 126 126 SER CB C 126 63.479 63.479 65.013 -1.534 25062 7508 1 10 . 1 1 126 126 SER H H 126 7.702 7.702 7.630 0.072 25062 7509 1 10 . 1 1 127 127 GLY N N 127 108.584 108.584 108.033 0.551 25062 7510 1 10 . 1 1 127 127 GLY C C 127 174.103 174.103 173.893 0.210 25062 7511 1 10 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.056 0.381 25062 7512 1 10 . 1 1 127 127 GLY H H 127 7.933 7.933 8.907 -0.974 25062 7513 1 10 . 1 1 128 128 SER N N 128 115.990 115.990 116.414 -0.424 25062 7514 1 10 . 1 1 128 128 SER HA H 128 4.590 4.590 4.661 -0.071 25062 7515 1 10 . 1 1 128 128 SER C C 128 174.412 174.412 173.953 0.459 25062 7516 1 10 . 1 1 128 128 SER CA C 128 57.986 57.986 59.040 -1.054 25062 7517 1 10 . 1 1 128 128 SER CB C 128 63.336 63.336 64.658 -1.322 25062 7518 1 10 . 1 1 128 128 SER H H 128 8.091 8.091 7.855 0.236 25062 7519 1 10 . 1 1 129 129 LEU N N 129 125.492 125.492 121.496 3.996 25062 7520 1 10 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.616 -0.175 25062 7521 1 10 . 1 1 129 129 LEU C C 129 177.084 177.084 175.643 1.441 25062 7522 1 10 . 1 1 129 129 LEU CA C 129 54.876 54.876 53.014 1.862 25062 7523 1 10 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.072 -1.763 25062 7524 1 10 . 1 1 129 129 LEU H H 129 8.262 8.262 7.624 0.638 25062 7525 1 10 . 1 1 130 130 GLU N N 130 121.006 121.006 119.379 1.627 25062 7526 1 10 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.414 -0.439 25062 7527 1 10 . 1 1 130 130 GLU C C 130 176.435 176.435 175.844 0.591 25062 7528 1 10 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.962 0.850 25062 7529 1 10 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.508 -0.229 25062 7530 1 10 . 1 1 130 130 GLU H H 130 8.398 8.398 8.447 -0.049 25062 7531 1 10 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.555 0.036 25062 7532 1 10 . 1 1 131 131 HIS C C 131 174.179 174.179 174.785 -0.606 25062 7533 1 10 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.770 0.379 25062 7534 1 10 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.274 1.557 25062 7535 1 10 . 1 1 132 132 HIS N N 132 125.794 125.794 124.940 0.854 25062 7536 1 10 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.553 -0.138 25062 7537 1 10 . 1 1 132 132 HIS C C 132 179.523 179.523 174.190 5.333 25062 7538 1 10 . 1 1 132 132 HIS CA C 132 57.516 57.516 54.395 3.121 25062 7539 1 10 . 1 1 132 132 HIS CB C 132 31.008 31.008 30.647 0.361 25062 7540 1 10 . 1 1 132 132 HIS H H 132 7.935 7.935 7.991 -0.056 25062 7541 1 11 . 1 1 2 2 GLY N N 2 109.342 109.342 107.032 2.310 25062 7542 1 11 . 1 1 2 2 GLY C C 2 172.736 172.736 173.097 -0.361 25062 7543 1 11 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.768 0.888 25062 7544 1 11 . 1 1 2 2 GLY H H 2 8.632 8.632 8.393 0.239 25062 7545 1 11 . 1 1 3 3 VAL N N 3 123.457 123.457 121.725 1.732 25062 7546 1 11 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.404 0.577 25062 7547 1 11 . 1 1 3 3 VAL C C 3 173.780 173.780 174.502 -0.722 25062 7548 1 11 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.494 -1.144 25062 7549 1 11 . 1 1 3 3 VAL CB C 3 36.113 36.113 34.937 1.176 25062 7550 1 11 . 1 1 3 3 VAL H H 3 7.516 7.516 7.962 -0.446 25062 7551 1 11 . 1 1 4 4 VAL N N 4 125.375 125.375 127.867 -2.492 25062 7552 1 11 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.443 0.088 25062 7553 1 11 . 1 1 4 4 VAL C C 4 173.185 173.185 174.981 -1.796 25062 7554 1 11 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.538 -1.037 25062 7555 1 11 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.519 1.276 25062 7556 1 11 . 1 1 4 4 VAL H H 4 8.810 8.810 8.655 0.155 25062 7557 1 11 . 1 1 5 5 ILE N N 5 127.180 127.180 128.777 -1.597 25062 7558 1 11 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.583 0.286 25062 7559 1 11 . 1 1 5 5 ILE C C 5 174.303 174.303 174.725 -0.422 25062 7560 1 11 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.356 -0.946 25062 7561 1 11 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.375 0.268 25062 7562 1 11 . 1 1 5 5 ILE H H 5 8.800 8.800 8.944 -0.144 25062 7563 1 11 . 1 1 6 6 LEU N N 6 129.025 129.025 129.778 -0.753 25062 7564 1 11 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.982 0.031 25062 7565 1 11 . 1 1 6 6 LEU C C 6 174.847 174.847 176.161 -1.314 25062 7566 1 11 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.590 -0.122 25062 7567 1 11 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.078 2.215 25062 7568 1 11 . 1 1 6 6 LEU H H 6 9.424 9.424 8.942 0.482 25062 7569 1 11 . 1 1 7 7 VAL N N 7 123.364 123.364 126.645 -3.281 25062 7570 1 11 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.352 0.305 25062 7571 1 11 . 1 1 7 7 VAL C C 7 174.210 174.210 175.427 -1.217 25062 7572 1 11 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.934 -1.107 25062 7573 1 11 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.832 0.421 25062 7574 1 11 . 1 1 7 7 VAL H H 7 8.653 8.653 8.508 0.145 25062 7575 1 11 . 1 1 8 8 LEU N N 8 130.560 130.560 131.242 -0.682 25062 7576 1 11 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.969 0.327 25062 7577 1 11 . 1 1 8 8 LEU C C 8 175.744 175.744 176.624 -0.880 25062 7578 1 11 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.330 -0.444 25062 7579 1 11 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.393 1.103 25062 7580 1 11 . 1 1 8 8 LEU H H 8 9.069 9.069 8.712 0.357 25062 7581 1 11 . 1 1 9 9 THR N N 9 112.810 112.810 113.815 -1.005 25062 7582 1 11 . 1 1 9 9 THR HA H 9 4.959 4.959 5.168 -0.209 25062 7583 1 11 . 1 1 9 9 THR C C 9 174.213 174.213 176.485 -2.272 25062 7584 1 11 . 1 1 9 9 THR CA C 9 59.948 59.948 59.388 0.561 25062 7585 1 11 . 1 1 9 9 THR CB C 9 70.756 70.756 71.152 -0.396 25062 7586 1 11 . 1 1 9 9 THR H H 9 8.028 8.028 8.643 -0.615 25062 7587 1 11 . 1 1 10 10 GLY N N 10 107.740 107.740 111.664 -3.924 25062 7588 1 11 . 1 1 10 10 GLY C C 10 173.064 173.064 173.759 -0.695 25062 7589 1 11 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.929 -0.499 25062 7590 1 11 . 1 1 10 10 GLY H H 10 7.827 7.827 8.646 -0.819 25062 7591 1 11 . 1 1 11 11 ASP N N 11 119.119 119.119 118.198 0.921 25062 7592 1 11 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.777 0.076 25062 7593 1 11 . 1 1 11 11 ASP C C 11 176.118 176.118 175.870 0.248 25062 7594 1 11 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.727 0.245 25062 7595 1 11 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.520 -0.279 25062 7596 1 11 . 1 1 11 11 ASP H H 11 7.642 7.642 7.570 0.072 25062 7597 1 11 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.899 0.201 25062 7598 1 11 . 1 1 12 12 GLU C C 12 178.508 178.508 177.666 0.842 25062 7599 1 11 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.485 -1.021 25062 7600 1 11 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.028 -0.695 25062 7601 1 11 . 1 1 13 13 ARG N N 13 121.589 121.589 119.416 2.173 25062 7602 1 11 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.071 0.066 25062 7603 1 11 . 1 1 13 13 ARG C C 13 179.625 179.625 178.463 1.162 25062 7604 1 11 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.463 0.955 25062 7605 1 11 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.328 0.028 25062 7606 1 11 . 1 1 13 13 ARG H H 13 8.593 8.593 7.598 0.995 25062 7607 1 11 . 1 1 14 14 ILE N N 14 119.911 119.911 119.551 0.360 25062 7608 1 11 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.686 -0.036 25062 7609 1 11 . 1 1 14 14 ILE C C 14 177.727 177.727 177.654 0.073 25062 7610 1 11 . 1 1 14 14 ILE CA C 14 65.158 65.158 65.045 0.113 25062 7611 1 11 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.700 -0.361 25062 7612 1 11 . 1 1 14 14 ILE H H 14 7.823 7.823 7.922 -0.099 25062 7613 1 11 . 1 1 15 15 ALA N N 15 121.015 121.015 121.736 -0.721 25062 7614 1 11 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.476 0.243 25062 7615 1 11 . 1 1 15 15 ALA C C 15 178.994 178.994 179.288 -0.294 25062 7616 1 11 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.073 0.817 25062 7617 1 11 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.570 0.281 25062 7618 1 11 . 1 1 15 15 ALA H H 15 7.610 7.610 7.552 0.058 25062 7619 1 11 . 1 1 16 16 GLU N N 16 117.655 117.655 117.100 0.555 25062 7620 1 11 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.882 0.252 25062 7621 1 11 . 1 1 16 16 GLU C C 16 178.517 178.517 179.288 -0.771 25062 7622 1 11 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.679 -0.400 25062 7623 1 11 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.049 0.173 25062 7624 1 11 . 1 1 16 16 GLU H H 16 7.808 7.808 7.608 0.200 25062 7625 1 11 . 1 1 17 17 GLU N N 17 119.648 119.648 118.831 0.817 25062 7626 1 11 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.164 -0.110 25062 7627 1 11 . 1 1 17 17 GLU C C 17 180.213 180.213 179.069 1.144 25062 7628 1 11 . 1 1 17 17 GLU CA C 17 59.234 59.234 57.905 1.329 25062 7629 1 11 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.293 -0.141 25062 7630 1 11 . 1 1 17 17 GLU H H 17 8.002 8.002 7.896 0.106 25062 7631 1 11 . 1 1 18 18 LEU N N 18 119.118 119.118 119.345 -0.227 25062 7632 1 11 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.208 -0.108 25062 7633 1 11 . 1 1 18 18 LEU C C 18 178.233 178.233 178.756 -0.523 25062 7634 1 11 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.347 0.459 25062 7635 1 11 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.793 -0.922 25062 7636 1 11 . 1 1 18 18 LEU H H 18 8.554 8.554 7.930 0.624 25062 7637 1 11 . 1 1 19 19 ARG N N 19 122.158 122.158 120.173 1.985 25062 7638 1 11 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.191 -0.376 25062 7639 1 11 . 1 1 19 19 ARG C C 19 178.686 178.686 178.135 0.551 25062 7640 1 11 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.923 0.993 25062 7641 1 11 . 1 1 19 19 ARG CB C 19 29.339 29.339 30.131 -0.792 25062 7642 1 11 . 1 1 19 19 ARG H H 19 8.274 8.274 8.066 0.208 25062 7643 1 11 . 1 1 20 20 LYS N N 20 118.130 118.130 118.352 -0.222 25062 7644 1 11 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.049 -0.114 25062 7645 1 11 . 1 1 20 20 LYS C C 20 179.078 179.078 178.902 0.176 25062 7646 1 11 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.471 0.282 25062 7647 1 11 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.729 0.711 25062 7648 1 11 . 1 1 20 20 LYS H H 20 7.977 7.977 7.999 -0.022 25062 7649 1 11 . 1 1 21 21 GLU N N 21 120.451 120.451 119.088 1.363 25062 7650 1 11 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.216 -0.161 25062 7651 1 11 . 1 1 21 21 GLU C C 21 178.995 178.995 178.991 0.004 25062 7652 1 11 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.706 0.397 25062 7653 1 11 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.148 0.015 25062 7654 1 11 . 1 1 21 21 GLU H H 21 7.813 7.813 7.653 0.160 25062 7655 1 11 . 1 1 22 22 VAL N N 22 119.654 119.654 120.362 -0.708 25062 7656 1 11 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.621 -0.181 25062 7657 1 11 . 1 1 22 22 VAL C C 22 176.428 176.428 178.209 -1.781 25062 7658 1 11 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.152 -0.031 25062 7659 1 11 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.331 0.121 25062 7660 1 11 . 1 1 22 22 VAL H H 22 8.146 8.146 7.616 0.530 25062 7661 1 11 . 1 1 23 23 GLN N N 23 116.884 116.884 117.621 -0.737 25062 7662 1 11 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.095 -0.143 25062 7663 1 11 . 1 1 23 23 GLN C C 23 177.429 177.429 177.977 -0.548 25062 7664 1 11 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.749 0.018 25062 7665 1 11 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.604 -0.053 25062 7666 1 11 . 1 1 23 23 GLN H H 23 7.588 7.588 7.886 -0.298 25062 7667 1 11 . 1 1 24 24 LYS N N 24 116.529 116.529 116.292 0.237 25062 7668 1 11 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.220 -0.224 25062 7669 1 11 . 1 1 24 24 LYS C C 24 177.508 177.508 178.262 -0.754 25062 7670 1 11 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.739 0.675 25062 7671 1 11 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.702 0.215 25062 7672 1 11 . 1 1 24 24 LYS H H 24 7.544 7.544 7.508 0.036 25062 7673 1 11 . 1 1 25 25 HIS N N 25 119.657 119.657 118.929 0.728 25062 7674 1 11 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.449 -0.196 25062 7675 1 11 . 1 1 25 25 HIS C C 25 175.915 175.915 175.095 0.820 25062 7676 1 11 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.423 1.019 25062 7677 1 11 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.531 0.339 25062 7678 1 11 . 1 1 25 25 HIS H H 25 7.809 7.809 7.948 -0.139 25062 7679 1 11 . 1 1 26 26 ASP N N 26 113.221 113.221 115.287 -2.066 25062 7680 1 11 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.987 -0.252 25062 7681 1 11 . 1 1 26 26 ASP C C 26 173.856 173.856 174.399 -0.543 25062 7682 1 11 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.304 -0.634 25062 7683 1 11 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.066 -0.700 25062 7684 1 11 . 1 1 26 26 ASP H H 26 8.358 8.358 8.038 0.320 25062 7685 1 11 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.547 0.019 25062 7686 1 11 . 1 1 27 27 PRO C C 27 176.845 176.845 176.773 0.072 25062 7687 1 11 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.935 -0.059 25062 7688 1 11 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.676 -0.391 25062 7689 1 11 . 1 1 28 28 ASN N N 28 115.529 115.529 116.355 -0.826 25062 7690 1 11 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.632 0.040 25062 7691 1 11 . 1 1 28 28 ASN C C 28 175.632 175.632 175.638 -0.006 25062 7692 1 11 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.275 -0.460 25062 7693 1 11 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.055 0.039 25062 7694 1 11 . 1 1 28 28 ASN H H 28 8.570 8.570 7.916 0.654 25062 7695 1 11 . 1 1 29 29 VAL N N 29 121.867 121.867 122.457 -0.590 25062 7696 1 11 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.947 -0.063 25062 7697 1 11 . 1 1 29 29 VAL C C 29 175.085 175.085 175.469 -0.384 25062 7698 1 11 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.544 -0.369 25062 7699 1 11 . 1 1 29 29 VAL CB C 29 31.998 31.998 30.936 1.062 25062 7700 1 11 . 1 1 29 29 VAL H H 29 7.465 7.465 7.615 -0.150 25062 7701 1 11 . 1 1 30 30 LYS N N 30 130.242 130.242 127.373 2.869 25062 7702 1 11 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.508 -0.074 25062 7703 1 11 . 1 1 30 30 LYS C C 30 175.093 175.093 175.727 -0.634 25062 7704 1 11 . 1 1 30 30 LYS CA C 30 55.373 55.373 54.199 1.174 25062 7705 1 11 . 1 1 30 30 LYS CB C 30 32.427 32.427 34.395 -1.968 25062 7706 1 11 . 1 1 30 30 LYS H H 30 9.036 9.036 8.428 0.608 25062 7707 1 11 . 1 1 31 31 THR N N 31 113.173 113.173 113.730 -0.557 25062 7708 1 11 . 1 1 31 31 THR HA H 31 5.688 5.688 5.241 0.447 25062 7709 1 11 . 1 1 31 31 THR C C 31 174.708 174.708 173.900 0.808 25062 7710 1 11 . 1 1 31 31 THR CA C 31 58.537 58.537 60.067 -1.530 25062 7711 1 11 . 1 1 31 31 THR CB C 31 71.419 71.419 70.494 0.925 25062 7712 1 11 . 1 1 31 31 THR H H 31 8.185 8.185 8.264 -0.079 25062 7713 1 11 . 1 1 32 32 VAL N N 32 122.168 122.168 125.954 -3.786 25062 7714 1 11 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.672 0.223 25062 7715 1 11 . 1 1 32 32 VAL C C 32 173.388 173.388 174.199 -0.811 25062 7716 1 11 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.458 0.275 25062 7717 1 11 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.107 -0.203 25062 7718 1 11 . 1 1 32 32 VAL H H 32 8.968 8.968 8.338 0.630 25062 7719 1 11 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.952 0.022 25062 7720 1 11 . 1 1 33 33 PRO C C 33 177.848 177.848 178.238 -0.390 25062 7721 1 11 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.450 -0.108 25062 7722 1 11 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.624 0.397 25062 7723 1 11 . 1 1 34 34 THR N N 34 114.266 114.266 109.397 4.869 25062 7724 1 11 . 1 1 34 34 THR HA H 34 4.118 4.118 4.087 0.031 25062 7725 1 11 . 1 1 34 34 THR C C 34 176.879 176.879 176.126 0.753 25062 7726 1 11 . 1 1 34 34 THR CA C 34 64.607 64.607 65.076 -0.469 25062 7727 1 11 . 1 1 34 34 THR CB C 34 68.311 68.311 69.021 -0.710 25062 7728 1 11 . 1 1 34 34 THR H H 34 9.033 9.033 8.311 0.722 25062 7729 1 11 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.218 0.027 25062 7730 1 11 . 1 1 35 35 LYS C C 35 176.639 176.639 177.217 -0.578 25062 7731 1 11 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.946 0.188 25062 7732 1 11 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.186 0.117 25062 7733 1 11 . 1 1 36 36 ASP N N 36 120.993 120.993 120.637 0.356 25062 7734 1 11 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.880 0.135 25062 7735 1 11 . 1 1 36 36 ASP C C 36 176.202 176.202 175.971 0.231 25062 7736 1 11 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.486 -0.049 25062 7737 1 11 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.830 0.280 25062 7738 1 11 . 1 1 36 36 ASP H H 36 7.726 7.726 7.647 0.079 25062 7739 1 11 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.844 0.144 25062 7740 1 11 . 1 1 37 37 LYS C C 37 177.948 177.948 178.016 -0.068 25062 7741 1 11 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.754 -0.446 25062 7742 1 11 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.363 0.485 25062 7743 1 11 . 1 1 38 38 GLU N N 38 119.141 119.141 117.473 1.668 25062 7744 1 11 . 1 1 38 38 GLU HA H 38 4.250 4.250 3.964 0.286 25062 7745 1 11 . 1 1 38 38 GLU C C 38 178.054 178.054 178.759 -0.705 25062 7746 1 11 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.287 -0.785 25062 7747 1 11 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.172 0.035 25062 7748 1 11 . 1 1 38 38 GLU H H 38 8.883 8.883 8.791 0.092 25062 7749 1 11 . 1 1 39 39 LYS N N 39 118.440 118.440 118.345 0.095 25062 7750 1 11 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.067 0.440 25062 7751 1 11 . 1 1 39 39 LYS C C 39 177.126 177.126 178.819 -1.693 25062 7752 1 11 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.493 -2.187 25062 7753 1 11 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.196 0.228 25062 7754 1 11 . 1 1 39 39 LYS H H 39 8.064 8.064 7.309 0.755 25062 7755 1 11 . 1 1 40 40 VAL N N 40 118.130 118.130 120.646 -2.516 25062 7756 1 11 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.507 -0.112 25062 7757 1 11 . 1 1 40 40 VAL C C 40 176.934 176.934 177.145 -0.211 25062 7758 1 11 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.790 0.831 25062 7759 1 11 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.239 0.416 25062 7760 1 11 . 1 1 40 40 VAL H H 40 7.308 7.308 8.119 -0.811 25062 7761 1 11 . 1 1 41 41 LYS N N 41 118.555 118.555 119.659 -1.104 25062 7762 1 11 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.586 0.057 25062 7763 1 11 . 1 1 41 41 LYS C C 41 178.363 178.363 178.363 0.000 25062 7764 1 11 . 1 1 41 41 LYS CA C 41 61.287 61.287 60.122 1.165 25062 7765 1 11 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.733 -0.279 25062 7766 1 11 . 1 1 41 41 LYS H H 41 8.150 8.150 7.509 0.641 25062 7767 1 11 . 1 1 42 42 GLU N N 42 119.454 119.454 117.279 2.175 25062 7768 1 11 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.084 0.014 25062 7769 1 11 . 1 1 42 42 GLU C C 42 179.552 179.552 179.057 0.495 25062 7770 1 11 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.200 0.056 25062 7771 1 11 . 1 1 42 42 GLU CB C 42 29.594 29.594 28.816 0.778 25062 7772 1 11 . 1 1 42 42 GLU H H 42 8.067 8.067 7.576 0.491 25062 7773 1 11 . 1 1 43 43 GLU N N 43 118.427 118.427 119.549 -1.122 25062 7774 1 11 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.155 0.140 25062 7775 1 11 . 1 1 43 43 GLU C C 43 180.076 180.076 179.395 0.681 25062 7776 1 11 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.660 -0.205 25062 7777 1 11 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.315 -0.670 25062 7778 1 11 . 1 1 43 43 GLU H H 43 8.189 8.189 8.011 0.178 25062 7779 1 11 . 1 1 44 44 ILE N N 44 122.905 122.905 120.570 2.335 25062 7780 1 11 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.674 -0.039 25062 7781 1 11 . 1 1 44 44 ILE C C 44 176.828 176.828 177.641 -0.813 25062 7782 1 11 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.707 0.690 25062 7783 1 11 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.965 -0.426 25062 7784 1 11 . 1 1 44 44 ILE H H 44 8.734 8.734 8.554 0.180 25062 7785 1 11 . 1 1 45 45 GLU N N 45 120.098 120.098 120.572 -0.474 25062 7786 1 11 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.027 0.112 25062 7787 1 11 . 1 1 45 45 GLU C C 45 178.930 178.930 179.204 -0.274 25062 7788 1 11 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.799 -0.310 25062 7789 1 11 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.297 -0.149 25062 7790 1 11 . 1 1 45 45 GLU H H 45 8.099 8.099 8.059 0.040 25062 7791 1 11 . 1 1 46 46 LYS N N 46 118.360 118.360 118.986 -0.626 25062 7792 1 11 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.120 -0.111 25062 7793 1 11 . 1 1 46 46 LYS C C 46 178.775 178.775 178.753 0.022 25062 7794 1 11 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.009 0.893 25062 7795 1 11 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.349 0.353 25062 7796 1 11 . 1 1 46 46 LYS H H 46 7.854 7.854 8.030 -0.176 25062 7797 1 11 . 1 1 47 47 ALA N N 47 122.551 122.551 122.214 0.337 25062 7798 1 11 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.011 0.117 25062 7799 1 11 . 1 1 47 47 ALA C C 47 180.095 180.095 179.353 0.742 25062 7800 1 11 . 1 1 47 47 ALA CA C 47 55.403 55.403 54.828 0.575 25062 7801 1 11 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.302 -0.597 25062 7802 1 11 . 1 1 47 47 ALA H H 47 8.135 8.135 7.755 0.380 25062 7803 1 11 . 1 1 48 48 ARG N N 48 118.945 118.945 117.630 1.315 25062 7804 1 11 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.937 0.120 25062 7805 1 11 . 1 1 48 48 ARG C C 48 179.960 179.960 178.209 1.751 25062 7806 1 11 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.222 0.065 25062 7807 1 11 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.140 -0.688 25062 7808 1 11 . 1 1 48 48 ARG H H 48 8.655 8.655 7.814 0.841 25062 7809 1 11 . 1 1 49 49 LYS N N 49 119.557 119.557 117.980 1.577 25062 7810 1 11 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.130 -0.073 25062 7811 1 11 . 1 1 49 49 LYS C C 49 178.288 178.288 178.266 0.022 25062 7812 1 11 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.405 0.565 25062 7813 1 11 . 1 1 49 49 LYS CB C 49 32.653 32.653 31.960 0.693 25062 7814 1 11 . 1 1 49 49 LYS H H 49 8.058 8.058 7.644 0.414 25062 7815 1 11 . 1 1 50 50 GLN N N 50 115.215 115.215 115.486 -0.271 25062 7816 1 11 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.333 0.044 25062 7817 1 11 . 1 1 50 50 GLN C C 50 176.439 176.439 177.114 -0.675 25062 7818 1 11 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.603 0.370 25062 7819 1 11 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.255 0.553 25062 7820 1 11 . 1 1 50 50 GLN H H 50 7.938 7.938 7.648 0.290 25062 7821 1 11 . 1 1 51 51 GLY N N 51 109.413 109.413 107.862 1.551 25062 7822 1 11 . 1 1 51 51 GLY C C 51 174.570 174.570 173.902 0.668 25062 7823 1 11 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.940 0.655 25062 7824 1 11 . 1 1 51 51 GLY H H 51 8.070 8.070 7.760 0.310 25062 7825 1 11 . 1 1 52 52 ARG N N 52 119.414 119.414 118.962 0.452 25062 7826 1 11 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.777 0.125 25062 7827 1 11 . 1 1 52 52 ARG C C 52 173.093 173.093 174.217 -1.124 25062 7828 1 11 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.431 0.546 25062 7829 1 11 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.688 0.722 25062 7830 1 11 . 1 1 52 52 ARG H H 52 7.950 7.950 7.504 0.446 25062 7831 1 11 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.822 0.252 25062 7832 1 11 . 1 1 53 53 PRO C C 53 174.179 174.179 175.936 -1.757 25062 7833 1 11 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.814 -0.837 25062 7834 1 11 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.538 -0.004 25062 7835 1 11 . 1 1 54 54 ILE N N 54 115.161 115.161 120.624 -5.463 25062 7836 1 11 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.407 0.551 25062 7837 1 11 . 1 1 54 54 ILE C C 54 172.097 172.097 173.326 -1.229 25062 7838 1 11 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.126 -1.353 25062 7839 1 11 . 1 1 54 54 ILE CB C 54 41.735 41.735 42.021 -0.286 25062 7840 1 11 . 1 1 54 54 ILE H H 54 7.718 7.718 8.513 -0.795 25062 7841 1 11 . 1 1 55 55 VAL N N 55 126.019 126.019 128.570 -2.551 25062 7842 1 11 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.669 0.211 25062 7843 1 11 . 1 1 55 55 VAL C C 55 173.844 173.844 174.683 -0.839 25062 7844 1 11 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.871 -0.578 25062 7845 1 11 . 1 1 55 55 VAL CB C 55 33.268 33.268 32.694 0.574 25062 7846 1 11 . 1 1 55 55 VAL H H 55 8.352 8.352 8.474 -0.122 25062 7847 1 11 . 1 1 56 56 VAL N N 56 127.584 127.584 125.795 1.789 25062 7848 1 11 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.443 -0.002 25062 7849 1 11 . 1 1 56 56 VAL C C 56 173.968 173.968 174.703 -0.735 25062 7850 1 11 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.880 -0.337 25062 7851 1 11 . 1 1 56 56 VAL CB C 56 34.380 34.380 33.701 0.679 25062 7852 1 11 . 1 1 56 56 VAL H H 56 9.291 9.291 8.699 0.592 25062 7853 1 11 . 1 1 57 57 PHE N N 57 125.432 125.432 127.990 -2.558 25062 7854 1 11 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.950 -0.020 25062 7855 1 11 . 1 1 57 57 PHE C C 57 174.987 174.987 175.386 -0.399 25062 7856 1 11 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.385 0.823 25062 7857 1 11 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.348 1.538 25062 7858 1 11 . 1 1 57 57 PHE H H 57 8.585 8.585 8.423 0.162 25062 7859 1 11 . 1 1 58 58 VAL N N 58 123.763 123.763 122.896 0.867 25062 7860 1 11 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.265 -0.063 25062 7861 1 11 . 1 1 58 58 VAL C C 58 174.791 174.791 175.261 -0.470 25062 7862 1 11 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.267 0.614 25062 7863 1 11 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.363 0.349 25062 7864 1 11 . 1 1 58 58 VAL H H 58 9.008 9.008 8.294 0.714 25062 7865 1 11 . 1 1 59 59 ARG N N 59 127.924 127.924 124.055 3.869 25062 7866 1 11 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.593 -0.011 25062 7867 1 11 . 1 1 59 59 ARG C C 59 177.755 177.755 177.389 0.366 25062 7868 1 11 . 1 1 59 59 ARG CA C 59 56.538 56.538 56.270 0.268 25062 7869 1 11 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.125 -0.612 25062 7870 1 11 . 1 1 59 59 ARG H H 59 8.820 8.820 8.735 0.085 25062 7871 1 11 . 1 1 60 60 GLY N N 60 110.441 110.441 114.216 -3.775 25062 7872 1 11 . 1 1 60 60 GLY C C 60 174.818 174.818 173.929 0.889 25062 7873 1 11 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.447 1.540 25062 7874 1 11 . 1 1 60 60 GLY H H 60 8.200 8.200 8.510 -0.310 25062 7875 1 11 . 1 1 61 61 GLY N N 61 109.411 109.411 111.113 -1.702 25062 7876 1 11 . 1 1 61 61 GLY C C 61 174.550 174.550 174.234 0.316 25062 7877 1 11 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.750 -0.319 25062 7878 1 11 . 1 1 61 61 GLY H H 61 7.995 7.995 7.944 0.051 25062 7879 1 11 . 1 1 62 62 ASP N N 62 122.920 122.920 125.142 -2.222 25062 7880 1 11 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.701 0.320 25062 7881 1 11 . 1 1 62 62 ASP C C 62 176.247 176.247 175.811 0.436 25062 7882 1 11 . 1 1 62 62 ASP CA C 62 52.527 52.527 55.069 -2.542 25062 7883 1 11 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.350 -0.535 25062 7884 1 11 . 1 1 62 62 ASP H H 62 8.090 8.090 7.867 0.223 25062 7885 1 11 . 1 1 63 63 ASP N N 63 121.058 121.058 124.869 -3.811 25062 7886 1 11 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.263 0.003 25062 7887 1 11 . 1 1 63 63 ASP C C 63 178.418 178.418 177.445 0.973 25062 7888 1 11 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.709 -0.368 25062 7889 1 11 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.510 0.062 25062 7890 1 11 . 1 1 63 63 ASP H H 63 8.023 8.023 8.123 -0.100 25062 7891 1 11 . 1 1 64 64 GLU N N 64 119.564 119.564 119.322 0.242 25062 7892 1 11 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.966 0.085 25062 7893 1 11 . 1 1 64 64 GLU C C 64 178.321 178.321 178.489 -0.168 25062 7894 1 11 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.773 -0.391 25062 7895 1 11 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.510 -0.466 25062 7896 1 11 . 1 1 64 64 GLU H H 64 8.760 8.760 8.837 -0.077 25062 7897 1 11 . 1 1 65 65 ARG N N 65 119.839 119.839 118.445 1.394 25062 7898 1 11 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.083 0.113 25062 7899 1 11 . 1 1 65 65 ARG C C 65 178.305 178.305 178.622 -0.317 25062 7900 1 11 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.034 0.018 25062 7901 1 11 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.957 0.680 25062 7902 1 11 . 1 1 65 65 ARG H H 65 7.643 7.643 8.424 -0.781 25062 7903 1 11 . 1 1 66 66 ALA N N 66 118.984 118.984 121.749 -2.765 25062 7904 1 11 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.114 -0.248 25062 7905 1 11 . 1 1 66 66 ALA C C 66 178.638 178.638 179.102 -0.464 25062 7906 1 11 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.156 0.310 25062 7907 1 11 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.415 -0.054 25062 7908 1 11 . 1 1 66 66 ALA H H 66 7.782 7.782 7.821 -0.039 25062 7909 1 11 . 1 1 67 67 LYS N N 67 117.711 117.711 117.436 0.275 25062 7910 1 11 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.116 -0.097 25062 7911 1 11 . 1 1 67 67 LYS C C 67 178.363 178.363 178.793 -0.430 25062 7912 1 11 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.235 0.338 25062 7913 1 11 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.254 -0.030 25062 7914 1 11 . 1 1 67 67 LYS H H 67 8.010 8.010 7.932 0.078 25062 7915 1 11 . 1 1 68 68 ASP N N 68 119.581 119.581 121.098 -1.517 25062 7916 1 11 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.497 -0.083 25062 7917 1 11 . 1 1 68 68 ASP C C 68 179.235 179.235 178.657 0.578 25062 7918 1 11 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.258 0.236 25062 7919 1 11 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.649 0.738 25062 7920 1 11 . 1 1 68 68 ASP H H 68 7.999 7.999 8.245 -0.246 25062 7921 1 11 . 1 1 69 69 ILE N N 69 119.307 119.307 120.604 -1.297 25062 7922 1 11 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.661 -0.068 25062 7923 1 11 . 1 1 69 69 ILE C C 69 176.927 176.927 177.970 -1.043 25062 7924 1 11 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.304 -0.078 25062 7925 1 11 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.767 0.097 25062 7926 1 11 . 1 1 69 69 ILE H H 69 8.283 8.283 7.355 0.928 25062 7927 1 11 . 1 1 70 70 ALA N N 70 121.395 121.395 121.832 -0.437 25062 7928 1 11 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.710 0.022 25062 7929 1 11 . 1 1 70 70 ALA C C 70 178.770 178.770 179.080 -0.310 25062 7930 1 11 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.034 0.507 25062 7931 1 11 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.540 0.604 25062 7932 1 11 . 1 1 70 70 ALA H H 70 8.200 8.200 8.004 0.196 25062 7933 1 11 . 1 1 71 71 GLU N N 71 116.210 116.210 119.720 -3.510 25062 7934 1 11 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.230 -0.084 25062 7935 1 11 . 1 1 71 71 GLU C C 71 179.215 179.215 178.615 0.600 25062 7936 1 11 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.035 0.398 25062 7937 1 11 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.955 -0.371 25062 7938 1 11 . 1 1 71 71 GLU H H 71 8.402 8.402 7.956 0.446 25062 7939 1 11 . 1 1 72 72 TYR N N 72 121.372 121.372 121.152 0.220 25062 7940 1 11 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.092 0.110 25062 7941 1 11 . 1 1 72 72 TYR C C 72 176.699 176.699 177.358 -0.659 25062 7942 1 11 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.598 -0.292 25062 7943 1 11 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.269 -0.030 25062 7944 1 11 . 1 1 72 72 TYR H H 72 8.031 8.031 8.018 0.013 25062 7945 1 11 . 1 1 73 73 ALA N N 73 119.994 119.994 120.065 -0.071 25062 7946 1 11 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.707 -0.096 25062 7947 1 11 . 1 1 73 73 ALA C C 73 178.786 178.786 178.830 -0.044 25062 7948 1 11 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.290 -0.119 25062 7949 1 11 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.031 0.470 25062 7950 1 11 . 1 1 73 73 ALA H H 73 8.588 8.588 8.040 0.548 25062 7951 1 11 . 1 1 74 74 GLN N N 74 116.775 116.775 118.149 -1.374 25062 7952 1 11 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.066 0.241 25062 7953 1 11 . 1 1 74 74 GLN C C 74 180.672 180.672 178.401 2.271 25062 7954 1 11 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.411 0.765 25062 7955 1 11 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.895 0.302 25062 7956 1 11 . 1 1 74 74 GLN H H 74 8.382 8.382 7.845 0.537 25062 7957 1 11 . 1 1 75 75 LYS N N 75 122.969 122.969 119.347 3.622 25062 7958 1 11 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.037 0.019 25062 7959 1 11 . 1 1 75 75 LYS C C 75 178.547 178.547 178.627 -0.080 25062 7960 1 11 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.538 0.689 25062 7961 1 11 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.192 -0.429 25062 7962 1 11 . 1 1 75 75 LYS H H 75 8.248 8.248 7.840 0.408 25062 7963 1 11 . 1 1 76 76 GLU N N 76 117.058 117.058 115.333 1.725 25062 7964 1 11 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.288 -0.193 25062 7965 1 11 . 1 1 76 76 GLU C C 76 176.070 176.070 177.057 -0.987 25062 7966 1 11 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.416 0.442 25062 7967 1 11 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.316 0.482 25062 7968 1 11 . 1 1 76 76 GLU H H 76 7.522 7.522 7.436 0.086 25062 7969 1 11 . 1 1 77 77 GLY N N 77 106.537 106.537 107.080 -0.543 25062 7970 1 11 . 1 1 77 77 GLY C C 77 174.570 174.570 174.920 -0.350 25062 7971 1 11 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.562 -0.083 25062 7972 1 11 . 1 1 77 77 GLY H H 77 7.797 7.797 7.564 0.233 25062 7973 1 11 . 1 1 78 78 LEU N N 78 121.257 121.257 119.608 1.649 25062 7974 1 11 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.337 0.069 25062 7975 1 11 . 1 1 78 78 LEU C C 78 176.139 176.139 177.130 -0.991 25062 7976 1 11 . 1 1 78 78 LEU CA C 78 54.304 54.304 54.343 -0.039 25062 7977 1 11 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.608 -0.496 25062 7978 1 11 . 1 1 78 78 LEU H H 78 8.008 8.008 7.661 0.347 25062 7979 1 11 . 1 1 79 79 ARG N N 79 121.135 121.135 122.072 -0.937 25062 7980 1 11 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.200 0.204 25062 7981 1 11 . 1 1 79 79 ARG C C 79 174.598 174.598 175.481 -0.883 25062 7982 1 11 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.327 -0.443 25062 7983 1 11 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.818 1.549 25062 7984 1 11 . 1 1 79 79 ARG H H 79 8.062 8.062 7.998 0.064 25062 7985 1 11 . 1 1 80 80 VAL N N 80 123.517 123.517 126.409 -2.892 25062 7986 1 11 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.599 0.166 25062 7987 1 11 . 1 1 80 80 VAL C C 80 175.373 175.373 174.763 0.610 25062 7988 1 11 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.568 0.070 25062 7989 1 11 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.588 1.415 25062 7990 1 11 . 1 1 80 80 VAL H H 80 8.377 8.377 8.520 -0.142 25062 7991 1 11 . 1 1 81 81 ILE N N 81 129.083 129.083 129.604 -0.521 25062 7992 1 11 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.884 -0.001 25062 7993 1 11 . 1 1 81 81 ILE C C 81 173.899 173.899 174.668 -0.769 25062 7994 1 11 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.296 0.430 25062 7995 1 11 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.055 1.027 25062 7996 1 11 . 1 1 81 81 ILE H H 81 8.812 8.812 8.703 0.109 25062 7997 1 11 . 1 1 82 82 VAL N N 82 126.531 126.531 128.636 -2.105 25062 7998 1 11 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.775 0.212 25062 7999 1 11 . 1 1 82 82 VAL C C 82 174.164 174.164 175.093 -0.929 25062 8000 1 11 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.308 -0.984 25062 8001 1 11 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.922 1.494 25062 8002 1 11 . 1 1 82 82 VAL H H 82 9.085 9.085 8.504 0.581 25062 8003 1 11 . 1 1 83 83 ILE N N 83 127.143 127.143 129.037 -1.894 25062 8004 1 11 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.923 -0.019 25062 8005 1 11 . 1 1 83 83 ILE C C 83 174.044 174.044 175.572 -1.528 25062 8006 1 11 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.033 -0.017 25062 8007 1 11 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.244 0.572 25062 8008 1 11 . 1 1 83 83 ILE H H 83 9.391 9.391 8.829 0.562 25062 8009 1 11 . 1 1 84 84 ILE N N 84 126.750 126.750 129.388 -2.638 25062 8010 1 11 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.545 -0.099 25062 8011 1 11 . 1 1 84 84 ILE C C 84 174.788 174.788 175.727 -0.939 25062 8012 1 11 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.690 0.362 25062 8013 1 11 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.381 1.651 25062 8014 1 11 . 1 1 84 84 ILE H H 84 8.714 8.714 8.495 0.219 25062 8015 1 11 . 1 1 85 85 VAL N N 85 127.160 127.160 131.004 -3.844 25062 8016 1 11 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.951 0.028 25062 8017 1 11 . 1 1 85 85 VAL C C 85 176.539 176.539 175.024 1.515 25062 8018 1 11 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.096 -1.034 25062 8019 1 11 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.431 -0.557 25062 8020 1 11 . 1 1 85 85 VAL H H 85 8.464 8.464 9.172 -0.708 25062 8021 1 11 . 1 1 86 86 SER N N 86 121.723 121.723 122.796 -1.073 25062 8022 1 11 . 1 1 86 86 SER HA H 86 4.490 4.490 4.783 -0.293 25062 8023 1 11 . 1 1 86 86 SER C C 86 172.447 172.447 172.421 0.026 25062 8024 1 11 . 1 1 86 86 SER CA C 86 58.131 58.131 57.075 1.056 25062 8025 1 11 . 1 1 86 86 SER CB C 86 64.121 64.121 66.842 -2.721 25062 8026 1 11 . 1 1 86 86 SER H H 86 8.725 8.725 8.003 0.722 25062 8027 1 11 . 1 1 87 87 GLN N N 87 121.657 121.657 118.161 3.496 25062 8028 1 11 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.621 -0.052 25062 8029 1 11 . 1 1 87 87 GLN C C 87 175.732 175.732 175.174 0.558 25062 8030 1 11 . 1 1 87 87 GLN CA C 87 56.426 56.426 55.777 0.649 25062 8031 1 11 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.317 -0.198 25062 8032 1 11 . 1 1 87 87 GLN H H 87 8.516 8.516 8.245 0.271 25062 8033 1 11 . 1 1 88 88 ASP N N 88 121.146 121.146 119.202 1.944 25062 8034 1 11 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.801 -0.101 25062 8035 1 11 . 1 1 88 88 ASP C C 88 175.752 175.752 176.264 -0.512 25062 8036 1 11 . 1 1 88 88 ASP CA C 88 53.079 53.079 52.826 0.253 25062 8037 1 11 . 1 1 88 88 ASP CB C 88 41.203 41.203 43.265 -2.062 25062 8038 1 11 . 1 1 88 88 ASP H H 88 8.459 8.459 7.680 0.779 25062 8039 1 11 . 1 1 89 89 GLU N N 89 125.736 125.736 125.053 0.683 25062 8040 1 11 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.976 -0.042 25062 8041 1 11 . 1 1 89 89 GLU C C 89 178.820 178.820 178.156 0.664 25062 8042 1 11 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.766 -0.222 25062 8043 1 11 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.499 0.128 25062 8044 1 11 . 1 1 89 89 GLU H H 89 8.840 8.840 8.914 -0.074 25062 8045 1 11 . 1 1 90 90 GLU N N 90 119.813 119.813 118.936 0.877 25062 8046 1 11 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.066 0.170 25062 8047 1 11 . 1 1 90 90 GLU C C 90 178.385 178.385 178.831 -0.446 25062 8048 1 11 . 1 1 90 90 GLU CA C 90 58.807 58.807 58.881 -0.074 25062 8049 1 11 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.022 0.155 25062 8050 1 11 . 1 1 90 90 GLU H H 90 8.300 8.300 7.958 0.342 25062 8051 1 11 . 1 1 91 91 ALA N N 91 123.211 123.211 122.378 0.833 25062 8052 1 11 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.151 -0.020 25062 8053 1 11 . 1 1 91 91 ALA C C 91 181.895 181.895 180.142 1.753 25062 8054 1 11 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.952 -0.252 25062 8055 1 11 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.324 -0.443 25062 8056 1 11 . 1 1 91 91 ALA H H 91 7.670 7.670 8.155 -0.485 25062 8057 1 11 . 1 1 92 92 LEU N N 92 118.903 118.903 118.818 0.085 25062 8058 1 11 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.968 0.037 25062 8059 1 11 . 1 1 92 92 LEU C C 92 177.951 177.951 179.326 -1.375 25062 8060 1 11 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.092 -0.142 25062 8061 1 11 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.695 0.487 25062 8062 1 11 . 1 1 92 92 LEU H H 92 8.190 8.190 7.527 0.663 25062 8063 1 11 . 1 1 93 93 ARG N N 93 118.916 118.916 119.173 -0.257 25062 8064 1 11 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.098 -0.000 25062 8065 1 11 . 1 1 93 93 ARG C C 93 178.775 178.775 178.847 -0.072 25062 8066 1 11 . 1 1 93 93 ARG CA C 93 59.342 59.342 60.134 -0.792 25062 8067 1 11 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.181 -0.036 25062 8068 1 11 . 1 1 93 93 ARG H H 93 7.868 7.868 8.464 -0.596 25062 8069 1 11 . 1 1 94 94 LYS N N 94 118.989 118.989 118.921 0.068 25062 8070 1 11 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.195 -0.138 25062 8071 1 11 . 1 1 94 94 LYS C C 94 179.270 179.270 179.095 0.175 25062 8072 1 11 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.423 -0.188 25062 8073 1 11 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.250 0.184 25062 8074 1 11 . 1 1 94 94 LYS H H 94 8.236 8.236 8.184 0.052 25062 8075 1 11 . 1 1 95 95 GLY N N 95 107.084 107.084 107.276 -0.192 25062 8076 1 11 . 1 1 95 95 GLY C C 95 175.285 175.285 175.925 -0.640 25062 8077 1 11 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.908 0.137 25062 8078 1 11 . 1 1 95 95 GLY H H 95 8.296 8.296 7.861 0.435 25062 8079 1 11 . 1 1 96 96 TYR N N 96 121.591 121.591 123.404 -1.813 25062 8080 1 11 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.182 -0.136 25062 8081 1 11 . 1 1 96 96 TYR C C 96 176.428 176.428 177.502 -1.074 25062 8082 1 11 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.622 0.822 25062 8083 1 11 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.593 -0.003 25062 8084 1 11 . 1 1 96 96 TYR H H 96 8.372 8.372 7.931 0.441 25062 8085 1 11 . 1 1 97 97 GLU N N 97 117.883 117.883 117.558 0.325 25062 8086 1 11 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.696 0.135 25062 8087 1 11 . 1 1 97 97 GLU C C 97 178.775 178.775 179.157 -0.382 25062 8088 1 11 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.762 0.487 25062 8089 1 11 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.386 0.156 25062 8090 1 11 . 1 1 97 97 GLU H H 97 8.205 8.205 8.092 0.113 25062 8091 1 11 . 1 1 98 98 ASP N N 98 117.644 117.644 120.765 -3.121 25062 8092 1 11 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.409 -0.064 25062 8093 1 11 . 1 1 98 98 ASP C C 98 177.978 177.978 178.019 -0.041 25062 8094 1 11 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.156 -0.043 25062 8095 1 11 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.992 0.999 25062 8096 1 11 . 1 1 98 98 ASP H H 98 8.139 8.139 8.030 0.109 25062 8097 1 11 . 1 1 99 99 LYS N N 99 116.691 116.691 118.088 -1.397 25062 8098 1 11 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.230 -0.206 25062 8099 1 11 . 1 1 99 99 LYS C C 99 178.061 178.061 178.777 -0.716 25062 8100 1 11 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.289 -0.283 25062 8101 1 11 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.530 -0.154 25062 8102 1 11 . 1 1 99 99 LYS H H 99 7.886 7.886 7.514 0.372 25062 8103 1 11 . 1 1 100 100 LYS N N 100 120.645 120.645 120.313 0.332 25062 8104 1 11 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.100 -0.026 25062 8105 1 11 . 1 1 100 100 LYS C C 100 180.486 180.486 178.025 2.461 25062 8106 1 11 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.644 -0.461 25062 8107 1 11 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.966 -0.600 25062 8108 1 11 . 1 1 100 100 LYS H H 100 8.395 8.395 7.512 0.883 25062 8109 1 11 . 1 1 101 101 LYS N N 101 119.297 119.297 118.513 0.784 25062 8110 1 11 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.000 0.082 25062 8111 1 11 . 1 1 101 101 LYS C C 101 177.669 177.669 178.147 -0.478 25062 8112 1 11 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.487 -0.021 25062 8113 1 11 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.323 -0.078 25062 8114 1 11 . 1 1 101 101 LYS H H 101 7.713 7.713 7.473 0.240 25062 8115 1 11 . 1 1 102 102 LYS N N 102 116.847 116.847 116.573 0.274 25062 8116 1 11 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.095 -0.002 25062 8117 1 11 . 1 1 102 102 LYS C C 102 176.357 176.357 175.816 0.541 25062 8118 1 11 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.843 -0.054 25062 8119 1 11 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.305 -0.302 25062 8120 1 11 . 1 1 102 102 LYS H H 102 7.124 7.124 7.286 -0.162 25062 8121 1 11 . 1 1 103 103 GLY N N 103 105.781 105.781 106.928 -1.147 25062 8122 1 11 . 1 1 103 103 GLY C C 103 174.378 174.378 174.056 0.322 25062 8123 1 11 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.944 0.110 25062 8124 1 11 . 1 1 103 103 GLY H H 103 7.771 7.771 7.226 0.545 25062 8125 1 11 . 1 1 104 104 TYR N N 104 119.257 119.257 118.288 0.969 25062 8126 1 11 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.545 0.393 25062 8127 1 11 . 1 1 104 104 TYR C C 104 175.223 175.223 175.432 -0.209 25062 8128 1 11 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.536 -1.085 25062 8129 1 11 . 1 1 104 104 TYR CB C 104 37.745 37.745 40.480 -2.735 25062 8130 1 11 . 1 1 104 104 TYR H H 104 6.914 6.914 7.197 -0.283 25062 8131 1 11 . 1 1 105 105 ASP N N 105 122.574 122.574 124.213 -1.639 25062 8132 1 11 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.586 0.195 25062 8133 1 11 . 1 1 105 105 ASP C C 105 174.818 174.818 175.144 -0.326 25062 8134 1 11 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.127 -0.912 25062 8135 1 11 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.535 1.266 25062 8136 1 11 . 1 1 105 105 ASP H H 105 8.223 8.223 8.573 -0.350 25062 8137 1 11 . 1 1 106 106 VAL N N 106 121.990 121.990 124.054 -2.064 25062 8138 1 11 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.500 0.757 25062 8139 1 11 . 1 1 106 106 VAL C C 106 173.835 173.835 175.447 -1.612 25062 8140 1 11 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.523 -1.481 25062 8141 1 11 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.642 1.737 25062 8142 1 11 . 1 1 106 106 VAL H H 106 7.876 7.876 7.931 -0.055 25062 8143 1 11 . 1 1 107 107 TYR N N 107 125.444 125.444 128.277 -2.833 25062 8144 1 11 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.868 0.139 25062 8145 1 11 . 1 1 107 107 TYR C C 107 174.765 174.765 175.422 -0.657 25062 8146 1 11 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.557 -0.492 25062 8147 1 11 . 1 1 107 107 TYR CB C 107 41.889 41.889 40.739 1.150 25062 8148 1 11 . 1 1 107 107 TYR H H 107 9.400 9.400 8.713 0.687 25062 8149 1 11 . 1 1 108 108 THR N N 108 111.100 111.100 112.522 -1.422 25062 8150 1 11 . 1 1 108 108 THR HA H 108 5.212 5.212 5.179 0.033 25062 8151 1 11 . 1 1 108 108 THR C C 108 174.350 174.350 173.639 0.711 25062 8152 1 11 . 1 1 108 108 THR CA C 108 59.514 59.514 59.639 -0.125 25062 8153 1 11 . 1 1 108 108 THR CB C 108 70.911 70.911 71.579 -0.668 25062 8154 1 11 . 1 1 108 108 THR H H 108 8.801 8.801 8.312 0.489 25062 8155 1 11 . 1 1 109 109 SER N N 109 114.650 114.650 116.090 -1.440 25062 8156 1 11 . 1 1 109 109 SER HA H 109 4.901 4.901 4.869 0.032 25062 8157 1 11 . 1 1 109 109 SER C C 109 172.399 172.399 173.470 -1.071 25062 8158 1 11 . 1 1 109 109 SER CA C 109 57.974 57.974 56.602 1.372 25062 8159 1 11 . 1 1 109 109 SER CB C 109 67.764 67.764 66.163 1.601 25062 8160 1 11 . 1 1 109 109 SER H H 109 8.565 8.565 8.211 0.354 25062 8161 1 11 . 1 1 110 110 ARG N N 110 119.807 119.807 119.050 0.757 25062 8162 1 11 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.619 0.390 25062 8163 1 11 . 1 1 110 110 ARG C C 110 175.995 175.995 175.610 0.385 25062 8164 1 11 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.328 -0.319 25062 8165 1 11 . 1 1 110 110 ARG CB C 110 31.817 31.817 33.353 -1.536 25062 8166 1 11 . 1 1 110 110 ARG H H 110 8.948 8.948 8.274 0.674 25062 8167 1 11 . 1 1 111 111 ASN N N 111 110.690 110.690 113.747 -3.057 25062 8168 1 11 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.882 -0.249 25062 8169 1 11 . 1 1 111 111 ASN C C 111 174.460 174.460 174.575 -0.115 25062 8170 1 11 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.845 -1.475 25062 8171 1 11 . 1 1 111 111 ASN CB C 111 40.117 40.117 38.812 1.305 25062 8172 1 11 . 1 1 111 111 ASN H H 111 7.426 7.426 8.097 -0.671 25062 8173 1 11 . 1 1 112 112 GLU N N 112 119.451 119.451 118.755 0.696 25062 8174 1 11 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.973 -0.165 25062 8175 1 11 . 1 1 112 112 GLU C C 112 176.445 176.445 177.565 -1.120 25062 8176 1 11 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.733 0.460 25062 8177 1 11 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.468 1.138 25062 8178 1 11 . 1 1 112 112 GLU H H 112 9.529 9.529 8.754 0.775 25062 8179 1 11 . 1 1 113 113 ASP N N 113 120.739 120.739 119.568 1.171 25062 8180 1 11 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.369 0.000 25062 8181 1 11 . 1 1 113 113 ASP C C 113 179.043 179.043 178.856 0.187 25062 8182 1 11 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.747 0.358 25062 8183 1 11 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.310 0.637 25062 8184 1 11 . 1 1 113 113 ASP H H 113 8.256 8.256 8.410 -0.154 25062 8185 1 11 . 1 1 114 114 GLU N N 114 119.817 119.817 119.713 0.104 25062 8186 1 11 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.067 -0.017 25062 8187 1 11 . 1 1 114 114 GLU C C 114 178.770 178.770 178.702 0.068 25062 8188 1 11 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.263 -0.023 25062 8189 1 11 . 1 1 114 114 GLU CB C 114 30.656 30.656 28.917 1.739 25062 8190 1 11 . 1 1 114 114 GLU H H 114 8.577 8.577 7.861 0.716 25062 8191 1 11 . 1 1 115 115 ALA N N 115 121.470 121.470 122.586 -1.116 25062 8192 1 11 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.020 0.035 25062 8193 1 11 . 1 1 115 115 ALA C C 115 178.962 178.962 179.183 -0.221 25062 8194 1 11 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.520 -0.307 25062 8195 1 11 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.307 1.550 25062 8196 1 11 . 1 1 115 115 ALA H H 115 8.358 8.358 7.885 0.473 25062 8197 1 11 . 1 1 116 116 LYS N N 116 117.285 117.285 118.298 -1.013 25062 8198 1 11 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.077 -0.419 25062 8199 1 11 . 1 1 116 116 LYS C C 116 178.583 178.583 178.948 -0.365 25062 8200 1 11 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.352 1.565 25062 8201 1 11 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.380 0.431 25062 8202 1 11 . 1 1 116 116 LYS H H 116 8.350 8.350 7.943 0.407 25062 8203 1 11 . 1 1 117 117 LYS N N 117 118.433 118.433 119.839 -1.406 25062 8204 1 11 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.039 -0.053 25062 8205 1 11 . 1 1 117 117 LYS C C 117 179.380 179.380 179.198 0.182 25062 8206 1 11 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.695 -0.090 25062 8207 1 11 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.480 -0.098 25062 8208 1 11 . 1 1 117 117 LYS H H 117 7.345 7.345 7.727 -0.382 25062 8209 1 11 . 1 1 118 118 LYS N N 118 118.166 118.166 118.415 -0.249 25062 8210 1 11 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.934 0.005 25062 8211 1 11 . 1 1 118 118 LYS C C 118 178.088 178.088 178.831 -0.743 25062 8212 1 11 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.871 -0.315 25062 8213 1 11 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.820 -0.680 25062 8214 1 11 . 1 1 118 118 LYS H H 118 8.130 8.130 8.117 0.013 25062 8215 1 11 . 1 1 119 119 LEU N N 119 120.654 120.654 121.092 -0.438 25062 8216 1 11 . 1 1 119 119 LEU HA H 119 3.784 3.784 4.069 -0.285 25062 8217 1 11 . 1 1 119 119 LEU C C 119 177.567 177.567 178.202 -0.635 25062 8218 1 11 . 1 1 119 119 LEU CA C 119 57.914 57.914 58.230 -0.316 25062 8219 1 11 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.996 0.178 25062 8220 1 11 . 1 1 119 119 LEU H H 119 8.592 8.592 7.975 0.617 25062 8221 1 11 . 1 1 120 120 LYS N N 120 118.314 118.314 118.486 -0.172 25062 8222 1 11 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.815 -0.270 25062 8223 1 11 . 1 1 120 120 LYS C C 120 178.624 178.624 179.303 -0.679 25062 8224 1 11 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.776 0.514 25062 8225 1 11 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.294 -0.530 25062 8226 1 11 . 1 1 120 120 LYS H H 120 7.753 7.753 7.544 0.209 25062 8227 1 11 . 1 1 121 121 GLU N N 121 118.446 118.446 119.776 -1.330 25062 8228 1 11 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.452 -0.446 25062 8229 1 11 . 1 1 121 121 GLU C C 121 178.744 178.744 178.834 -0.090 25062 8230 1 11 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.085 0.454 25062 8231 1 11 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.590 -0.227 25062 8232 1 11 . 1 1 121 121 GLU H H 121 7.777 7.777 8.247 -0.470 25062 8233 1 11 . 1 1 122 122 ALA N N 122 121.333 121.333 122.233 -0.900 25062 8234 1 11 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.331 -0.375 25062 8235 1 11 . 1 1 122 122 ALA C C 122 179.973 179.973 179.360 0.613 25062 8236 1 11 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.867 0.093 25062 8237 1 11 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.772 -0.344 25062 8238 1 11 . 1 1 122 122 ALA H H 122 8.229 8.229 7.876 0.353 25062 8239 1 11 . 1 1 123 123 LEU N N 123 118.790 118.790 118.119 0.671 25062 8240 1 11 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.088 -0.308 25062 8241 1 11 . 1 1 123 123 LEU C C 123 179.703 179.703 179.773 -0.070 25062 8242 1 11 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.184 0.705 25062 8243 1 11 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.599 -0.747 25062 8244 1 11 . 1 1 123 123 LEU H H 123 8.177 8.177 7.794 0.383 25062 8245 1 11 . 1 1 124 124 GLU N N 124 120.881 120.881 119.202 1.679 25062 8246 1 11 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.175 -0.031 25062 8247 1 11 . 1 1 124 124 GLU C C 124 179.732 179.732 178.326 1.406 25062 8248 1 11 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.256 0.183 25062 8249 1 11 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.564 -0.044 25062 8250 1 11 . 1 1 124 124 GLU H H 124 8.393 8.393 8.032 0.361 25062 8251 1 11 . 1 1 125 125 LYS N N 125 119.526 119.526 118.311 1.215 25062 8252 1 11 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.271 -0.012 25062 8253 1 11 . 1 1 125 125 LYS C C 125 177.862 177.862 178.191 -0.329 25062 8254 1 11 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.581 0.364 25062 8255 1 11 . 1 1 125 125 LYS CB C 125 32.357 32.357 31.980 0.376 25062 8256 1 11 . 1 1 125 125 LYS H H 125 8.290 8.290 7.971 0.319 25062 8257 1 11 . 1 1 126 126 SER N N 126 114.103 114.103 112.847 1.256 25062 8258 1 11 . 1 1 126 126 SER HA H 126 4.385 4.385 4.501 -0.116 25062 8259 1 11 . 1 1 126 126 SER C C 126 174.460 174.460 175.071 -0.611 25062 8260 1 11 . 1 1 126 126 SER CA C 126 59.611 59.611 58.312 1.299 25062 8261 1 11 . 1 1 126 126 SER CB C 126 63.479 63.479 63.790 -0.311 25062 8262 1 11 . 1 1 126 126 SER H H 126 7.702 7.702 7.573 0.129 25062 8263 1 11 . 1 1 127 127 GLY N N 127 108.584 108.584 109.363 -0.779 25062 8264 1 11 . 1 1 127 127 GLY C C 127 174.103 174.103 175.522 -1.419 25062 8265 1 11 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.828 -0.391 25062 8266 1 11 . 1 1 127 127 GLY H H 127 7.933 7.933 7.674 0.259 25062 8267 1 11 . 1 1 128 128 SER N N 128 115.990 115.990 116.821 -0.831 25062 8268 1 11 . 1 1 128 128 SER HA H 128 4.590 4.590 4.418 0.172 25062 8269 1 11 . 1 1 128 128 SER C C 128 174.412 174.412 175.221 -0.809 25062 8270 1 11 . 1 1 128 128 SER CA C 128 57.986 57.986 59.808 -1.822 25062 8271 1 11 . 1 1 128 128 SER CB C 128 63.336 63.336 64.207 -0.871 25062 8272 1 11 . 1 1 128 128 SER H H 128 8.091 8.091 7.946 0.145 25062 8273 1 11 . 1 1 129 129 LEU N N 129 125.492 125.492 117.922 7.570 25062 8274 1 11 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.028 0.413 25062 8275 1 11 . 1 1 129 129 LEU C C 129 177.084 177.084 176.112 0.972 25062 8276 1 11 . 1 1 129 129 LEU CA C 129 54.876 54.876 56.122 -1.246 25062 8277 1 11 . 1 1 129 129 LEU CB C 129 42.309 42.309 41.353 0.956 25062 8278 1 11 . 1 1 129 129 LEU H H 129 8.262 8.262 7.710 0.552 25062 8279 1 11 . 1 1 130 130 GLU N N 130 121.006 121.006 119.891 1.115 25062 8280 1 11 . 1 1 130 130 GLU HA H 130 3.975 3.975 3.816 0.159 25062 8281 1 11 . 1 1 130 130 GLU C C 130 176.435 176.435 175.673 0.762 25062 8282 1 11 . 1 1 130 130 GLU CA C 130 56.812 56.812 54.332 2.480 25062 8283 1 11 . 1 1 130 130 GLU CB C 130 30.279 30.279 31.357 -1.078 25062 8284 1 11 . 1 1 130 130 GLU H H 130 8.398 8.398 8.255 0.143 25062 8285 1 11 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.303 0.288 25062 8286 1 11 . 1 1 131 131 HIS C C 131 174.179 174.179 174.639 -0.460 25062 8287 1 11 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.573 -0.424 25062 8288 1 11 . 1 1 131 131 HIS CB C 131 30.831 30.831 28.096 2.735 25062 8289 1 11 . 1 1 132 132 HIS N N 132 125.794 125.794 124.746 1.048 25062 8290 1 11 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.508 -0.092 25062 8291 1 11 . 1 1 132 132 HIS C C 132 179.523 179.523 175.744 3.779 25062 8292 1 11 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.011 1.504 25062 8293 1 11 . 1 1 132 132 HIS CB C 132 31.008 31.008 31.360 -0.352 25062 8294 1 11 . 1 1 132 132 HIS H H 132 7.935 7.935 8.066 -0.131 25062 8295 1 12 . 1 1 2 2 GLY N N 2 109.342 109.342 105.639 3.703 25062 8296 1 12 . 1 1 2 2 GLY C C 2 172.736 172.736 171.523 1.213 25062 8297 1 12 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.737 -0.081 25062 8298 1 12 . 1 1 2 2 GLY H H 2 8.632 8.632 8.381 0.251 25062 8299 1 12 . 1 1 3 3 VAL N N 3 123.457 123.457 118.907 4.550 25062 8300 1 12 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.622 0.359 25062 8301 1 12 . 1 1 3 3 VAL C C 3 173.780 173.780 174.519 -0.739 25062 8302 1 12 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.691 -1.341 25062 8303 1 12 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.229 -0.116 25062 8304 1 12 . 1 1 3 3 VAL H H 3 7.516 7.516 7.862 -0.346 25062 8305 1 12 . 1 1 4 4 VAL N N 4 125.375 125.375 125.603 -0.228 25062 8306 1 12 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.735 -0.204 25062 8307 1 12 . 1 1 4 4 VAL C C 4 173.185 173.185 174.948 -1.763 25062 8308 1 12 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.079 -0.578 25062 8309 1 12 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.596 0.199 25062 8310 1 12 . 1 1 4 4 VAL H H 4 8.810 8.810 8.785 0.025 25062 8311 1 12 . 1 1 5 5 ILE N N 5 127.180 127.180 128.656 -1.476 25062 8312 1 12 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.600 0.269 25062 8313 1 12 . 1 1 5 5 ILE C C 5 174.303 174.303 174.963 -0.660 25062 8314 1 12 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.139 -0.730 25062 8315 1 12 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.618 0.025 25062 8316 1 12 . 1 1 5 5 ILE H H 5 8.800 8.800 8.950 -0.150 25062 8317 1 12 . 1 1 6 6 LEU N N 6 129.025 129.025 129.223 -0.198 25062 8318 1 12 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.714 0.299 25062 8319 1 12 . 1 1 6 6 LEU C C 6 174.847 174.847 176.356 -1.509 25062 8320 1 12 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.838 -0.370 25062 8321 1 12 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.982 2.311 25062 8322 1 12 . 1 1 6 6 LEU H H 6 9.424 9.424 8.980 0.444 25062 8323 1 12 . 1 1 7 7 VAL N N 7 123.364 123.364 126.392 -3.028 25062 8324 1 12 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.355 0.302 25062 8325 1 12 . 1 1 7 7 VAL C C 7 174.210 174.210 175.113 -0.903 25062 8326 1 12 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.847 -1.020 25062 8327 1 12 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.074 0.179 25062 8328 1 12 . 1 1 7 7 VAL H H 7 8.653 8.653 8.798 -0.145 25062 8329 1 12 . 1 1 8 8 LEU N N 8 130.560 130.560 130.776 -0.216 25062 8330 1 12 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.271 0.025 25062 8331 1 12 . 1 1 8 8 LEU C C 8 175.744 175.744 176.825 -1.081 25062 8332 1 12 . 1 1 8 8 LEU CA C 8 53.886 53.886 53.919 -0.033 25062 8333 1 12 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.479 1.017 25062 8334 1 12 . 1 1 8 8 LEU H H 8 9.069 9.069 8.530 0.539 25062 8335 1 12 . 1 1 9 9 THR N N 9 112.810 112.810 113.833 -1.023 25062 8336 1 12 . 1 1 9 9 THR HA H 9 4.959 4.959 5.315 -0.356 25062 8337 1 12 . 1 1 9 9 THR C C 9 174.213 174.213 176.212 -1.999 25062 8338 1 12 . 1 1 9 9 THR CA C 9 59.948 59.948 59.219 0.729 25062 8339 1 12 . 1 1 9 9 THR CB C 9 70.756 70.756 71.654 -0.898 25062 8340 1 12 . 1 1 9 9 THR H H 9 8.028 8.028 8.457 -0.428 25062 8341 1 12 . 1 1 10 10 GLY N N 10 107.740 107.740 112.008 -4.268 25062 8342 1 12 . 1 1 10 10 GLY C C 10 173.064 173.064 174.248 -1.184 25062 8343 1 12 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.107 -0.677 25062 8344 1 12 . 1 1 10 10 GLY H H 10 7.827 7.827 8.720 -0.893 25062 8345 1 12 . 1 1 11 11 ASP N N 11 119.119 119.119 120.655 -1.536 25062 8346 1 12 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.783 0.070 25062 8347 1 12 . 1 1 11 11 ASP C C 11 176.118 176.118 176.395 -0.277 25062 8348 1 12 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.970 -0.998 25062 8349 1 12 . 1 1 11 11 ASP CB C 11 43.241 43.241 41.289 1.952 25062 8350 1 12 . 1 1 11 11 ASP H H 11 7.642 7.642 7.998 -0.356 25062 8351 1 12 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.850 0.250 25062 8352 1 12 . 1 1 12 12 GLU C C 12 178.508 178.508 177.973 0.535 25062 8353 1 12 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.287 -0.823 25062 8354 1 12 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.032 -0.699 25062 8355 1 12 . 1 1 13 13 ARG N N 13 121.589 121.589 118.423 3.166 25062 8356 1 12 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.054 0.083 25062 8357 1 12 . 1 1 13 13 ARG C C 13 179.625 179.625 178.477 1.148 25062 8358 1 12 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.920 0.498 25062 8359 1 12 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.609 -0.254 25062 8360 1 12 . 1 1 13 13 ARG H H 13 8.593 8.593 8.268 0.325 25062 8361 1 12 . 1 1 14 14 ILE N N 14 119.911 119.911 118.293 1.618 25062 8362 1 12 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.837 -0.187 25062 8363 1 12 . 1 1 14 14 ILE C C 14 177.727 177.727 177.635 0.092 25062 8364 1 12 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.432 0.726 25062 8365 1 12 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.552 -0.213 25062 8366 1 12 . 1 1 14 14 ILE H H 14 7.823 7.823 7.631 0.192 25062 8367 1 12 . 1 1 15 15 ALA N N 15 121.015 121.015 121.402 -0.387 25062 8368 1 12 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.975 -0.256 25062 8369 1 12 . 1 1 15 15 ALA C C 15 178.994 178.994 179.426 -0.432 25062 8370 1 12 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.228 0.661 25062 8371 1 12 . 1 1 15 15 ALA CB C 15 17.851 17.851 18.069 -0.218 25062 8372 1 12 . 1 1 15 15 ALA H H 15 7.610 7.610 7.669 -0.059 25062 8373 1 12 . 1 1 16 16 GLU N N 16 117.655 117.655 117.580 0.075 25062 8374 1 12 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.856 0.278 25062 8375 1 12 . 1 1 16 16 GLU C C 16 178.517 178.517 179.112 -0.595 25062 8376 1 12 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.847 -0.568 25062 8377 1 12 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.099 0.123 25062 8378 1 12 . 1 1 16 16 GLU H H 16 7.808 7.808 7.664 0.144 25062 8379 1 12 . 1 1 17 17 GLU N N 17 119.648 119.648 119.052 0.596 25062 8380 1 12 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.124 -0.070 25062 8381 1 12 . 1 1 17 17 GLU C C 17 180.213 180.213 179.352 0.861 25062 8382 1 12 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.437 0.798 25062 8383 1 12 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.338 -0.186 25062 8384 1 12 . 1 1 17 17 GLU H H 17 8.002 8.002 7.469 0.533 25062 8385 1 12 . 1 1 18 18 LEU N N 18 119.118 119.118 119.548 -0.430 25062 8386 1 12 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.143 -0.043 25062 8387 1 12 . 1 1 18 18 LEU C C 18 178.233 178.233 178.599 -0.366 25062 8388 1 12 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.355 0.451 25062 8389 1 12 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.779 -0.908 25062 8390 1 12 . 1 1 18 18 LEU H H 18 8.554 8.554 8.226 0.328 25062 8391 1 12 . 1 1 19 19 ARG N N 19 122.158 122.158 119.936 2.222 25062 8392 1 12 . 1 1 19 19 ARG HA H 19 3.815 3.815 3.849 -0.034 25062 8393 1 12 . 1 1 19 19 ARG C C 19 178.686 178.686 178.311 0.375 25062 8394 1 12 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.758 1.158 25062 8395 1 12 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.709 -0.370 25062 8396 1 12 . 1 1 19 19 ARG H H 19 8.274 8.274 7.735 0.539 25062 8397 1 12 . 1 1 20 20 LYS N N 20 118.130 118.130 116.678 1.452 25062 8398 1 12 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.143 -0.208 25062 8399 1 12 . 1 1 20 20 LYS C C 20 179.078 179.078 178.910 0.168 25062 8400 1 12 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.054 0.699 25062 8401 1 12 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.863 0.577 25062 8402 1 12 . 1 1 20 20 LYS H H 20 7.977 7.977 7.781 0.196 25062 8403 1 12 . 1 1 21 21 GLU N N 21 120.451 120.451 120.001 0.450 25062 8404 1 12 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.186 -0.131 25062 8405 1 12 . 1 1 21 21 GLU C C 21 178.995 178.995 179.032 -0.037 25062 8406 1 12 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.008 0.095 25062 8407 1 12 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.219 -0.056 25062 8408 1 12 . 1 1 21 21 GLU H H 21 7.813 7.813 7.736 0.077 25062 8409 1 12 . 1 1 22 22 VAL N N 22 119.654 119.654 120.909 -1.255 25062 8410 1 12 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.532 -0.092 25062 8411 1 12 . 1 1 22 22 VAL C C 22 176.428 176.428 177.787 -1.359 25062 8412 1 12 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.068 0.053 25062 8413 1 12 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.670 -0.218 25062 8414 1 12 . 1 1 22 22 VAL H H 22 8.146 8.146 8.162 -0.016 25062 8415 1 12 . 1 1 23 23 GLN N N 23 116.884 116.884 117.926 -1.042 25062 8416 1 12 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.098 -0.146 25062 8417 1 12 . 1 1 23 23 GLN C C 23 177.429 177.429 178.435 -1.006 25062 8418 1 12 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.637 0.130 25062 8419 1 12 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.588 -0.037 25062 8420 1 12 . 1 1 23 23 GLN H H 23 7.588 7.588 7.855 -0.267 25062 8421 1 12 . 1 1 24 24 LYS N N 24 116.529 116.529 118.107 -1.578 25062 8422 1 12 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.101 -0.105 25062 8423 1 12 . 1 1 24 24 LYS C C 24 177.508 177.508 178.679 -1.171 25062 8424 1 12 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.467 -0.053 25062 8425 1 12 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.610 0.307 25062 8426 1 12 . 1 1 24 24 LYS H H 24 7.544 7.544 7.598 -0.054 25062 8427 1 12 . 1 1 25 25 HIS N N 25 119.657 119.657 118.269 1.388 25062 8428 1 12 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.366 -0.113 25062 8429 1 12 . 1 1 25 25 HIS C C 25 175.915 175.915 175.483 0.432 25062 8430 1 12 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.628 0.814 25062 8431 1 12 . 1 1 25 25 HIS CB C 25 31.870 31.870 30.793 1.077 25062 8432 1 12 . 1 1 25 25 HIS H H 25 7.809 7.809 8.001 -0.192 25062 8433 1 12 . 1 1 26 26 ASP N N 26 113.221 113.221 115.718 -2.497 25062 8434 1 12 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.011 -0.276 25062 8435 1 12 . 1 1 26 26 ASP C C 26 173.856 173.856 174.845 -0.989 25062 8436 1 12 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.757 -0.087 25062 8437 1 12 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.290 -0.924 25062 8438 1 12 . 1 1 26 26 ASP H H 26 8.358 8.358 8.160 0.198 25062 8439 1 12 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.629 -0.063 25062 8440 1 12 . 1 1 27 27 PRO C C 27 176.845 176.845 176.644 0.201 25062 8441 1 12 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.624 0.253 25062 8442 1 12 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.505 -0.220 25062 8443 1 12 . 1 1 28 28 ASN N N 28 115.529 115.529 117.146 -1.617 25062 8444 1 12 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.683 -0.011 25062 8445 1 12 . 1 1 28 28 ASN C C 28 175.632 175.632 175.678 -0.046 25062 8446 1 12 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.277 -0.462 25062 8447 1 12 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.166 -0.072 25062 8448 1 12 . 1 1 28 28 ASN H H 28 8.570 8.570 8.101 0.469 25062 8449 1 12 . 1 1 29 29 VAL N N 29 121.867 121.867 121.821 0.046 25062 8450 1 12 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.070 -0.186 25062 8451 1 12 . 1 1 29 29 VAL C C 29 175.085 175.085 176.243 -1.158 25062 8452 1 12 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.667 -0.492 25062 8453 1 12 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.925 0.073 25062 8454 1 12 . 1 1 29 29 VAL H H 29 7.465 7.465 7.659 -0.194 25062 8455 1 12 . 1 1 30 30 LYS N N 30 130.242 130.242 128.732 1.510 25062 8456 1 12 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.386 0.048 25062 8457 1 12 . 1 1 30 30 LYS C C 30 175.093 175.093 175.981 -0.888 25062 8458 1 12 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.633 -0.260 25062 8459 1 12 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.227 -0.800 25062 8460 1 12 . 1 1 30 30 LYS H H 30 9.036 9.036 8.317 0.719 25062 8461 1 12 . 1 1 31 31 THR N N 31 113.173 113.173 113.789 -0.616 25062 8462 1 12 . 1 1 31 31 THR HA H 31 5.688 5.688 5.480 0.208 25062 8463 1 12 . 1 1 31 31 THR C C 31 174.708 174.708 173.891 0.817 25062 8464 1 12 . 1 1 31 31 THR CA C 31 58.537 58.537 59.795 -1.258 25062 8465 1 12 . 1 1 31 31 THR CB C 31 71.419 71.419 70.950 0.469 25062 8466 1 12 . 1 1 31 31 THR H H 31 8.185 8.185 8.312 -0.127 25062 8467 1 12 . 1 1 32 32 VAL N N 32 122.168 122.168 125.172 -3.004 25062 8468 1 12 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.729 0.166 25062 8469 1 12 . 1 1 32 32 VAL C C 32 173.388 173.388 174.093 -0.705 25062 8470 1 12 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.568 0.165 25062 8471 1 12 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.411 -0.507 25062 8472 1 12 . 1 1 32 32 VAL H H 32 8.968 8.968 8.427 0.541 25062 8473 1 12 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.848 0.126 25062 8474 1 12 . 1 1 33 33 PRO C C 33 177.848 177.848 178.218 -0.370 25062 8475 1 12 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.395 -0.053 25062 8476 1 12 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.706 0.315 25062 8477 1 12 . 1 1 34 34 THR N N 34 114.266 114.266 110.354 3.912 25062 8478 1 12 . 1 1 34 34 THR HA H 34 4.118 4.118 4.257 -0.139 25062 8479 1 12 . 1 1 34 34 THR C C 34 176.879 176.879 176.750 0.129 25062 8480 1 12 . 1 1 34 34 THR CA C 34 64.607 64.607 64.455 0.152 25062 8481 1 12 . 1 1 34 34 THR CB C 34 68.311 68.311 68.812 -0.501 25062 8482 1 12 . 1 1 34 34 THR H H 34 9.033 9.033 8.827 0.206 25062 8483 1 12 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.196 0.049 25062 8484 1 12 . 1 1 35 35 LYS C C 35 176.639 176.639 176.491 0.148 25062 8485 1 12 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.522 -0.388 25062 8486 1 12 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.200 0.103 25062 8487 1 12 . 1 1 36 36 ASP N N 36 120.993 120.993 118.358 2.635 25062 8488 1 12 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.922 0.093 25062 8489 1 12 . 1 1 36 36 ASP C C 36 176.202 176.202 175.721 0.481 25062 8490 1 12 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.480 -0.044 25062 8491 1 12 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.691 0.419 25062 8492 1 12 . 1 1 36 36 ASP H H 36 7.726 7.726 7.699 0.027 25062 8493 1 12 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.933 0.055 25062 8494 1 12 . 1 1 37 37 LYS C C 37 177.948 177.948 178.092 -0.144 25062 8495 1 12 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.677 -0.369 25062 8496 1 12 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.425 0.423 25062 8497 1 12 . 1 1 38 38 GLU N N 38 119.141 119.141 116.896 2.245 25062 8498 1 12 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.102 0.148 25062 8499 1 12 . 1 1 38 38 GLU C C 38 178.054 178.054 177.764 0.290 25062 8500 1 12 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.416 0.086 25062 8501 1 12 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.439 -0.232 25062 8502 1 12 . 1 1 38 38 GLU H H 38 8.883 8.883 8.633 0.250 25062 8503 1 12 . 1 1 39 39 LYS N N 39 118.440 118.440 117.924 0.516 25062 8504 1 12 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.328 0.179 25062 8505 1 12 . 1 1 39 39 LYS C C 39 177.126 177.126 177.990 -0.864 25062 8506 1 12 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.341 -1.034 25062 8507 1 12 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.764 -0.341 25062 8508 1 12 . 1 1 39 39 LYS H H 39 8.064 8.064 7.473 0.591 25062 8509 1 12 . 1 1 40 40 VAL N N 40 118.130 118.130 121.424 -3.294 25062 8510 1 12 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.586 -0.191 25062 8511 1 12 . 1 1 40 40 VAL C C 40 176.934 176.934 177.265 -0.331 25062 8512 1 12 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.020 0.601 25062 8513 1 12 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.110 0.545 25062 8514 1 12 . 1 1 40 40 VAL H H 40 7.308 7.308 7.854 -0.546 25062 8515 1 12 . 1 1 41 41 LYS N N 41 118.555 118.555 118.948 -0.393 25062 8516 1 12 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.802 -0.159 25062 8517 1 12 . 1 1 41 41 LYS C C 41 178.363 178.363 178.409 -0.046 25062 8518 1 12 . 1 1 41 41 LYS CA C 41 61.287 61.287 60.208 1.079 25062 8519 1 12 . 1 1 41 41 LYS CB C 41 31.454 31.454 32.049 -0.595 25062 8520 1 12 . 1 1 41 41 LYS H H 41 8.150 8.150 8.401 -0.251 25062 8521 1 12 . 1 1 42 42 GLU N N 42 119.454 119.454 117.977 1.477 25062 8522 1 12 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.078 0.020 25062 8523 1 12 . 1 1 42 42 GLU C C 42 179.552 179.552 179.099 0.453 25062 8524 1 12 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.102 0.154 25062 8525 1 12 . 1 1 42 42 GLU CB C 42 29.594 29.594 28.829 0.765 25062 8526 1 12 . 1 1 42 42 GLU H H 42 8.067 8.067 7.643 0.424 25062 8527 1 12 . 1 1 43 43 GLU N N 43 118.427 118.427 119.072 -0.645 25062 8528 1 12 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.161 0.134 25062 8529 1 12 . 1 1 43 43 GLU C C 43 180.076 180.076 179.442 0.634 25062 8530 1 12 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.274 0.181 25062 8531 1 12 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.165 -0.520 25062 8532 1 12 . 1 1 43 43 GLU H H 43 8.189 8.189 8.108 0.081 25062 8533 1 12 . 1 1 44 44 ILE N N 44 122.905 122.905 121.187 1.718 25062 8534 1 12 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.689 -0.054 25062 8535 1 12 . 1 1 44 44 ILE C C 44 176.828 176.828 177.589 -0.761 25062 8536 1 12 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.878 0.519 25062 8537 1 12 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.967 -0.427 25062 8538 1 12 . 1 1 44 44 ILE H H 44 8.734 8.734 8.377 0.357 25062 8539 1 12 . 1 1 45 45 GLU N N 45 120.098 120.098 120.249 -0.151 25062 8540 1 12 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.017 0.122 25062 8541 1 12 . 1 1 45 45 GLU C C 45 178.930 178.930 179.142 -0.212 25062 8542 1 12 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.653 -0.164 25062 8543 1 12 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.457 -0.309 25062 8544 1 12 . 1 1 45 45 GLU H H 45 8.099 8.099 8.060 0.039 25062 8545 1 12 . 1 1 46 46 LYS N N 46 118.360 118.360 118.975 -0.615 25062 8546 1 12 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.140 -0.131 25062 8547 1 12 . 1 1 46 46 LYS C C 46 178.775 178.775 178.650 0.125 25062 8548 1 12 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.882 1.020 25062 8549 1 12 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.380 0.322 25062 8550 1 12 . 1 1 46 46 LYS H H 46 7.854 7.854 7.948 -0.094 25062 8551 1 12 . 1 1 47 47 ALA N N 47 122.551 122.551 123.110 -0.559 25062 8552 1 12 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.039 0.089 25062 8553 1 12 . 1 1 47 47 ALA C C 47 180.095 180.095 179.331 0.764 25062 8554 1 12 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.313 0.090 25062 8555 1 12 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.437 -0.732 25062 8556 1 12 . 1 1 47 47 ALA H H 47 8.135 8.135 7.850 0.285 25062 8557 1 12 . 1 1 48 48 ARG N N 48 118.945 118.945 117.452 1.493 25062 8558 1 12 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.289 -0.232 25062 8559 1 12 . 1 1 48 48 ARG C C 48 179.960 179.960 178.422 1.538 25062 8560 1 12 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.316 0.971 25062 8561 1 12 . 1 1 48 48 ARG CB C 48 29.452 29.452 29.799 -0.347 25062 8562 1 12 . 1 1 48 48 ARG H H 48 8.655 8.655 8.155 0.500 25062 8563 1 12 . 1 1 49 49 LYS N N 49 119.557 119.557 119.738 -0.181 25062 8564 1 12 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.128 -0.071 25062 8565 1 12 . 1 1 49 49 LYS C C 49 178.288 178.288 178.378 -0.090 25062 8566 1 12 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.609 0.361 25062 8567 1 12 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.318 0.335 25062 8568 1 12 . 1 1 49 49 LYS H H 49 8.058 8.058 7.463 0.595 25062 8569 1 12 . 1 1 50 50 GLN N N 50 115.215 115.215 115.283 -0.068 25062 8570 1 12 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.343 0.034 25062 8571 1 12 . 1 1 50 50 GLN C C 50 176.439 176.439 176.930 -0.491 25062 8572 1 12 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.525 0.448 25062 8573 1 12 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.323 0.485 25062 8574 1 12 . 1 1 50 50 GLN H H 50 7.938 7.938 7.813 0.125 25062 8575 1 12 . 1 1 51 51 GLY N N 51 109.413 109.413 108.122 1.291 25062 8576 1 12 . 1 1 51 51 GLY C C 51 174.570 174.570 173.766 0.804 25062 8577 1 12 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.701 0.894 25062 8578 1 12 . 1 1 51 51 GLY H H 51 8.070 8.070 7.697 0.373 25062 8579 1 12 . 1 1 52 52 ARG N N 52 119.414 119.414 119.421 -0.007 25062 8580 1 12 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.787 0.115 25062 8581 1 12 . 1 1 52 52 ARG C C 52 173.093 173.093 174.117 -1.024 25062 8582 1 12 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.411 0.566 25062 8583 1 12 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.917 -0.507 25062 8584 1 12 . 1 1 52 52 ARG H H 52 7.950 7.950 8.055 -0.105 25062 8585 1 12 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.917 0.157 25062 8586 1 12 . 1 1 53 53 PRO C C 53 174.179 174.179 175.861 -1.682 25062 8587 1 12 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.508 -0.531 25062 8588 1 12 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.792 -0.258 25062 8589 1 12 . 1 1 54 54 ILE N N 54 115.161 115.161 120.288 -5.127 25062 8590 1 12 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.821 0.137 25062 8591 1 12 . 1 1 54 54 ILE C C 54 172.097 172.097 173.787 -1.690 25062 8592 1 12 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.691 -0.919 25062 8593 1 12 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.569 0.166 25062 8594 1 12 . 1 1 54 54 ILE H H 54 7.718 7.718 8.388 -0.670 25062 8595 1 12 . 1 1 55 55 VAL N N 55 126.019 126.019 130.182 -4.163 25062 8596 1 12 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.520 0.360 25062 8597 1 12 . 1 1 55 55 VAL C C 55 173.844 173.844 174.842 -0.998 25062 8598 1 12 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.182 -0.889 25062 8599 1 12 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.444 1.824 25062 8600 1 12 . 1 1 55 55 VAL H H 55 8.352 8.352 8.827 -0.475 25062 8601 1 12 . 1 1 56 56 VAL N N 56 127.584 127.584 127.495 0.089 25062 8602 1 12 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.391 0.050 25062 8603 1 12 . 1 1 56 56 VAL C C 56 173.968 173.968 174.705 -0.737 25062 8604 1 12 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.371 -0.828 25062 8605 1 12 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.623 1.757 25062 8606 1 12 . 1 1 56 56 VAL H H 56 9.291 9.291 8.445 0.846 25062 8607 1 12 . 1 1 57 57 PHE N N 57 125.432 125.432 126.418 -0.986 25062 8608 1 12 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.048 -0.118 25062 8609 1 12 . 1 1 57 57 PHE C C 57 174.987 174.987 174.691 0.296 25062 8610 1 12 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.767 1.441 25062 8611 1 12 . 1 1 57 57 PHE CB C 57 39.886 39.886 40.212 -0.326 25062 8612 1 12 . 1 1 57 57 PHE H H 57 8.585 8.585 8.863 -0.278 25062 8613 1 12 . 1 1 58 58 VAL N N 58 123.763 123.763 122.855 0.908 25062 8614 1 12 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.410 -0.208 25062 8615 1 12 . 1 1 58 58 VAL C C 58 174.791 174.791 174.680 0.111 25062 8616 1 12 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.196 0.685 25062 8617 1 12 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.556 -0.844 25062 8618 1 12 . 1 1 58 58 VAL H H 58 9.008 9.008 8.680 0.328 25062 8619 1 12 . 1 1 59 59 ARG N N 59 127.924 127.924 126.489 1.435 25062 8620 1 12 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.848 -0.266 25062 8621 1 12 . 1 1 59 59 ARG C C 59 177.755 177.755 177.909 -0.154 25062 8622 1 12 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.478 1.060 25062 8623 1 12 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.764 -1.251 25062 8624 1 12 . 1 1 59 59 ARG H H 59 8.820 8.820 8.798 0.022 25062 8625 1 12 . 1 1 60 60 GLY N N 60 110.441 110.441 112.618 -2.177 25062 8626 1 12 . 1 1 60 60 GLY C C 60 174.818 174.818 175.495 -0.677 25062 8627 1 12 . 1 1 60 60 GLY CA C 60 46.988 46.988 47.181 -0.193 25062 8628 1 12 . 1 1 60 60 GLY H H 60 8.200 8.200 8.621 -0.421 25062 8629 1 12 . 1 1 61 61 GLY N N 61 109.411 109.411 109.279 0.132 25062 8630 1 12 . 1 1 61 61 GLY C C 61 174.550 174.550 175.907 -1.357 25062 8631 1 12 . 1 1 61 61 GLY CA C 61 45.431 45.431 46.106 -0.675 25062 8632 1 12 . 1 1 61 61 GLY H H 61 7.995 7.995 8.426 -0.431 25062 8633 1 12 . 1 1 62 62 ASP N N 62 122.920 122.920 122.540 0.380 25062 8634 1 12 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.730 0.291 25062 8635 1 12 . 1 1 62 62 ASP C C 62 176.247 176.247 175.073 1.174 25062 8636 1 12 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.397 -1.870 25062 8637 1 12 . 1 1 62 62 ASP CB C 62 39.815 39.815 39.465 0.350 25062 8638 1 12 . 1 1 62 62 ASP H H 62 8.090 8.090 8.131 -0.041 25062 8639 1 12 . 1 1 63 63 ASP N N 63 121.058 121.058 120.926 0.132 25062 8640 1 12 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.367 -0.101 25062 8641 1 12 . 1 1 63 63 ASP C C 63 178.418 178.418 177.672 0.746 25062 8642 1 12 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.423 -0.082 25062 8643 1 12 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.327 0.245 25062 8644 1 12 . 1 1 63 63 ASP H H 63 8.023 8.023 7.784 0.239 25062 8645 1 12 . 1 1 64 64 GLU N N 64 119.564 119.564 119.512 0.052 25062 8646 1 12 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.028 0.023 25062 8647 1 12 . 1 1 64 64 GLU C C 64 178.321 178.321 178.547 -0.226 25062 8648 1 12 . 1 1 64 64 GLU CA C 64 59.382 59.382 60.099 -0.717 25062 8649 1 12 . 1 1 64 64 GLU CB C 64 29.044 29.044 28.855 0.189 25062 8650 1 12 . 1 1 64 64 GLU H H 64 8.760 8.760 8.677 0.083 25062 8651 1 12 . 1 1 65 65 ARG N N 65 119.839 119.839 119.447 0.392 25062 8652 1 12 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.065 0.131 25062 8653 1 12 . 1 1 65 65 ARG C C 65 178.305 178.305 178.480 -0.175 25062 8654 1 12 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.185 -0.133 25062 8655 1 12 . 1 1 65 65 ARG CB C 65 30.637 30.637 28.999 1.638 25062 8656 1 12 . 1 1 65 65 ARG H H 65 7.643 7.643 8.077 -0.434 25062 8657 1 12 . 1 1 66 66 ALA N N 66 118.984 118.984 121.330 -2.346 25062 8658 1 12 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.066 -0.200 25062 8659 1 12 . 1 1 66 66 ALA C C 66 178.638 178.638 179.588 -0.950 25062 8660 1 12 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.199 0.267 25062 8661 1 12 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.112 0.249 25062 8662 1 12 . 1 1 66 66 ALA H H 66 7.782 7.782 8.052 -0.270 25062 8663 1 12 . 1 1 67 67 LYS N N 67 117.711 117.711 117.951 -0.240 25062 8664 1 12 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.106 -0.087 25062 8665 1 12 . 1 1 67 67 LYS C C 67 178.363 178.363 178.816 -0.453 25062 8666 1 12 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.916 -0.343 25062 8667 1 12 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.306 -0.082 25062 8668 1 12 . 1 1 67 67 LYS H H 67 8.010 8.010 7.382 0.628 25062 8669 1 12 . 1 1 68 68 ASP N N 68 119.581 119.581 120.185 -0.604 25062 8670 1 12 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.477 -0.063 25062 8671 1 12 . 1 1 68 68 ASP C C 68 179.235 179.235 178.769 0.466 25062 8672 1 12 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.757 -0.263 25062 8673 1 12 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.960 0.427 25062 8674 1 12 . 1 1 68 68 ASP H H 68 7.999 7.999 7.763 0.236 25062 8675 1 12 . 1 1 69 69 ILE N N 69 119.307 119.307 119.789 -0.482 25062 8676 1 12 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.777 -0.184 25062 8677 1 12 . 1 1 69 69 ILE C C 69 176.927 176.927 177.774 -0.847 25062 8678 1 12 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.903 0.323 25062 8679 1 12 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.726 0.137 25062 8680 1 12 . 1 1 69 69 ILE H H 69 8.283 8.283 8.377 -0.094 25062 8681 1 12 . 1 1 70 70 ALA N N 70 121.395 121.395 121.996 -0.601 25062 8682 1 12 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.750 -0.018 25062 8683 1 12 . 1 1 70 70 ALA C C 70 178.770 178.770 179.130 -0.360 25062 8684 1 12 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.057 0.484 25062 8685 1 12 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.401 0.742 25062 8686 1 12 . 1 1 70 70 ALA H H 70 8.200 8.200 7.603 0.597 25062 8687 1 12 . 1 1 71 71 GLU N N 71 116.210 116.210 120.397 -4.187 25062 8688 1 12 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.237 -0.091 25062 8689 1 12 . 1 1 71 71 GLU C C 71 179.215 179.215 178.698 0.517 25062 8690 1 12 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.221 0.211 25062 8691 1 12 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.632 -0.048 25062 8692 1 12 . 1 1 71 71 GLU H H 71 8.402 8.402 7.825 0.577 25062 8693 1 12 . 1 1 72 72 TYR N N 72 121.372 121.372 120.787 0.585 25062 8694 1 12 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.103 0.099 25062 8695 1 12 . 1 1 72 72 TYR C C 72 176.699 176.699 177.301 -0.602 25062 8696 1 12 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.588 -0.282 25062 8697 1 12 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.267 -0.028 25062 8698 1 12 . 1 1 72 72 TYR H H 72 8.031 8.031 8.274 -0.243 25062 8699 1 12 . 1 1 73 73 ALA N N 73 119.994 119.994 120.381 -0.387 25062 8700 1 12 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.748 -0.137 25062 8701 1 12 . 1 1 73 73 ALA C C 73 178.786 178.786 179.541 -0.755 25062 8702 1 12 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.088 0.083 25062 8703 1 12 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.935 0.566 25062 8704 1 12 . 1 1 73 73 ALA H H 73 8.588 8.588 8.055 0.533 25062 8705 1 12 . 1 1 74 74 GLN N N 74 116.775 116.775 119.158 -2.383 25062 8706 1 12 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.240 0.067 25062 8707 1 12 . 1 1 74 74 GLN C C 74 180.672 180.672 178.934 1.738 25062 8708 1 12 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.518 0.658 25062 8709 1 12 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.798 0.399 25062 8710 1 12 . 1 1 74 74 GLN H H 74 8.382 8.382 8.052 0.330 25062 8711 1 12 . 1 1 75 75 LYS N N 75 122.969 122.969 119.731 3.238 25062 8712 1 12 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.099 -0.043 25062 8713 1 12 . 1 1 75 75 LYS C C 75 178.547 178.547 178.206 0.341 25062 8714 1 12 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.843 0.385 25062 8715 1 12 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.271 -0.508 25062 8716 1 12 . 1 1 75 75 LYS H H 75 8.248 8.248 7.878 0.370 25062 8717 1 12 . 1 1 76 76 GLU N N 76 117.058 117.058 115.381 1.677 25062 8718 1 12 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.274 -0.179 25062 8719 1 12 . 1 1 76 76 GLU C C 76 176.070 176.070 176.642 -0.572 25062 8720 1 12 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.439 0.419 25062 8721 1 12 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.394 0.404 25062 8722 1 12 . 1 1 76 76 GLU H H 76 7.522 7.522 7.443 0.079 25062 8723 1 12 . 1 1 77 77 GLY N N 77 106.537 106.537 107.403 -0.866 25062 8724 1 12 . 1 1 77 77 GLY C C 77 174.570 174.570 173.965 0.605 25062 8725 1 12 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.415 0.064 25062 8726 1 12 . 1 1 77 77 GLY H H 77 7.797 7.797 7.650 0.147 25062 8727 1 12 . 1 1 78 78 LEU N N 78 121.257 121.257 119.597 1.660 25062 8728 1 12 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.741 -0.335 25062 8729 1 12 . 1 1 78 78 LEU C C 78 176.139 176.139 176.904 -0.765 25062 8730 1 12 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.288 1.016 25062 8731 1 12 . 1 1 78 78 LEU CB C 78 42.112 42.112 42.914 -0.802 25062 8732 1 12 . 1 1 78 78 LEU H H 78 8.008 8.008 7.642 0.366 25062 8733 1 12 . 1 1 79 79 ARG N N 79 121.135 121.135 122.865 -1.730 25062 8734 1 12 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.278 0.126 25062 8735 1 12 . 1 1 79 79 ARG C C 79 174.598 174.598 175.397 -0.799 25062 8736 1 12 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.328 -0.444 25062 8737 1 12 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.171 1.196 25062 8738 1 12 . 1 1 79 79 ARG H H 79 8.062 8.062 8.126 -0.064 25062 8739 1 12 . 1 1 80 80 VAL N N 80 123.517 123.517 126.785 -3.268 25062 8740 1 12 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.650 0.115 25062 8741 1 12 . 1 1 80 80 VAL C C 80 175.373 175.373 174.943 0.430 25062 8742 1 12 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.707 -0.070 25062 8743 1 12 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.541 1.462 25062 8744 1 12 . 1 1 80 80 VAL H H 80 8.377 8.377 8.624 -0.247 25062 8745 1 12 . 1 1 81 81 ILE N N 81 129.083 129.083 129.003 0.080 25062 8746 1 12 . 1 1 81 81 ILE HA H 81 4.883 4.883 5.119 -0.236 25062 8747 1 12 . 1 1 81 81 ILE C C 81 173.899 173.899 175.007 -1.108 25062 8748 1 12 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.164 0.562 25062 8749 1 12 . 1 1 81 81 ILE CB C 81 41.082 41.082 41.067 0.015 25062 8750 1 12 . 1 1 81 81 ILE H H 81 8.812 8.812 8.686 0.126 25062 8751 1 12 . 1 1 82 82 VAL N N 82 126.531 126.531 126.929 -0.398 25062 8752 1 12 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.844 0.143 25062 8753 1 12 . 1 1 82 82 VAL C C 82 174.164 174.164 174.949 -0.785 25062 8754 1 12 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.116 -0.792 25062 8755 1 12 . 1 1 82 82 VAL CB C 82 34.417 34.417 33.794 0.623 25062 8756 1 12 . 1 1 82 82 VAL H H 82 9.085 9.085 8.420 0.665 25062 8757 1 12 . 1 1 83 83 ILE N N 83 127.143 127.143 129.011 -1.868 25062 8758 1 12 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.714 0.190 25062 8759 1 12 . 1 1 83 83 ILE C C 83 174.044 174.044 175.635 -1.591 25062 8760 1 12 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.399 -0.383 25062 8761 1 12 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.613 1.203 25062 8762 1 12 . 1 1 83 83 ILE H H 83 9.391 9.391 8.422 0.969 25062 8763 1 12 . 1 1 84 84 ILE N N 84 126.750 126.750 129.682 -2.932 25062 8764 1 12 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.602 -0.156 25062 8765 1 12 . 1 1 84 84 ILE C C 84 174.788 174.788 175.811 -1.023 25062 8766 1 12 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.779 0.273 25062 8767 1 12 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.472 1.560 25062 8768 1 12 . 1 1 84 84 ILE H H 84 8.714 8.714 8.862 -0.148 25062 8769 1 12 . 1 1 85 85 VAL N N 85 127.160 127.160 129.938 -2.778 25062 8770 1 12 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.866 0.113 25062 8771 1 12 . 1 1 85 85 VAL C C 85 176.539 176.539 174.722 1.817 25062 8772 1 12 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.591 -1.529 25062 8773 1 12 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.887 -0.013 25062 8774 1 12 . 1 1 85 85 VAL H H 85 8.464 8.464 8.889 -0.425 25062 8775 1 12 . 1 1 86 86 SER N N 86 121.723 121.723 120.673 1.050 25062 8776 1 12 . 1 1 86 86 SER HA H 86 4.490 4.490 4.863 -0.373 25062 8777 1 12 . 1 1 86 86 SER C C 86 172.447 172.447 172.865 -0.418 25062 8778 1 12 . 1 1 86 86 SER CA C 86 58.131 58.131 57.370 0.761 25062 8779 1 12 . 1 1 86 86 SER CB C 86 64.121 64.121 65.375 -1.254 25062 8780 1 12 . 1 1 86 86 SER H H 86 8.725 8.725 8.373 0.352 25062 8781 1 12 . 1 1 87 87 GLN N N 87 121.657 121.657 126.652 -4.995 25062 8782 1 12 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.536 0.033 25062 8783 1 12 . 1 1 87 87 GLN C C 87 175.732 175.732 174.146 1.586 25062 8784 1 12 . 1 1 87 87 GLN CA C 87 56.426 56.426 55.325 1.101 25062 8785 1 12 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.529 0.590 25062 8786 1 12 . 1 1 87 87 GLN H H 87 8.516 8.516 8.912 -0.396 25062 8787 1 12 . 1 1 88 88 ASP N N 88 121.146 121.146 118.837 2.309 25062 8788 1 12 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.745 -0.045 25062 8789 1 12 . 1 1 88 88 ASP C C 88 175.752 175.752 176.374 -0.622 25062 8790 1 12 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.584 -0.505 25062 8791 1 12 . 1 1 88 88 ASP CB C 88 41.203 41.203 42.778 -1.575 25062 8792 1 12 . 1 1 88 88 ASP H H 88 8.459 8.459 7.533 0.926 25062 8793 1 12 . 1 1 89 89 GLU N N 89 125.736 125.736 125.091 0.645 25062 8794 1 12 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.922 0.012 25062 8795 1 12 . 1 1 89 89 GLU C C 89 178.820 178.820 177.953 0.867 25062 8796 1 12 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.903 -0.359 25062 8797 1 12 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.869 -0.242 25062 8798 1 12 . 1 1 89 89 GLU H H 89 8.840 8.840 8.864 -0.024 25062 8799 1 12 . 1 1 90 90 GLU N N 90 119.813 119.813 120.020 -0.207 25062 8800 1 12 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.181 0.055 25062 8801 1 12 . 1 1 90 90 GLU C C 90 178.385 178.385 178.559 -0.174 25062 8802 1 12 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.101 -0.294 25062 8803 1 12 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.211 -0.034 25062 8804 1 12 . 1 1 90 90 GLU H H 90 8.300 8.300 8.359 -0.059 25062 8805 1 12 . 1 1 91 91 ALA N N 91 123.211 123.211 122.354 0.857 25062 8806 1 12 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.134 -0.003 25062 8807 1 12 . 1 1 91 91 ALA C C 91 181.895 181.895 179.600 2.295 25062 8808 1 12 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.894 -0.194 25062 8809 1 12 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.429 -0.548 25062 8810 1 12 . 1 1 91 91 ALA H H 91 7.670 7.670 8.103 -0.433 25062 8811 1 12 . 1 1 92 92 LEU N N 92 118.903 118.903 118.215 0.688 25062 8812 1 12 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.947 0.058 25062 8813 1 12 . 1 1 92 92 LEU C C 92 177.951 177.951 179.036 -1.085 25062 8814 1 12 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.571 0.380 25062 8815 1 12 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.695 0.487 25062 8816 1 12 . 1 1 92 92 LEU H H 92 8.190 8.190 7.764 0.426 25062 8817 1 12 . 1 1 93 93 ARG N N 93 118.916 118.916 119.558 -0.642 25062 8818 1 12 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.079 0.019 25062 8819 1 12 . 1 1 93 93 ARG C C 93 178.775 178.775 178.477 0.298 25062 8820 1 12 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.871 -0.529 25062 8821 1 12 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.222 -0.077 25062 8822 1 12 . 1 1 93 93 ARG H H 93 7.868 7.868 8.109 -0.241 25062 8823 1 12 . 1 1 94 94 LYS N N 94 118.989 118.989 118.056 0.933 25062 8824 1 12 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.082 -0.025 25062 8825 1 12 . 1 1 94 94 LYS C C 94 179.270 179.270 179.165 0.105 25062 8826 1 12 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.615 -0.380 25062 8827 1 12 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.122 0.312 25062 8828 1 12 . 1 1 94 94 LYS H H 94 8.236 8.236 8.231 0.005 25062 8829 1 12 . 1 1 95 95 GLY N N 95 107.084 107.084 107.156 -0.072 25062 8830 1 12 . 1 1 95 95 GLY C C 95 175.285 175.285 175.850 -0.565 25062 8831 1 12 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.836 0.209 25062 8832 1 12 . 1 1 95 95 GLY H H 95 8.296 8.296 7.749 0.547 25062 8833 1 12 . 1 1 96 96 TYR N N 96 121.591 121.591 123.561 -1.970 25062 8834 1 12 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.124 -0.078 25062 8835 1 12 . 1 1 96 96 TYR C C 96 176.428 176.428 177.706 -1.278 25062 8836 1 12 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.508 0.936 25062 8837 1 12 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.389 0.201 25062 8838 1 12 . 1 1 96 96 TYR H H 96 8.372 8.372 8.126 0.246 25062 8839 1 12 . 1 1 97 97 GLU N N 97 117.883 117.883 117.215 0.668 25062 8840 1 12 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.706 0.125 25062 8841 1 12 . 1 1 97 97 GLU C C 97 178.775 178.775 178.869 -0.094 25062 8842 1 12 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.150 0.099 25062 8843 1 12 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.302 0.240 25062 8844 1 12 . 1 1 97 97 GLU H H 97 8.205 8.205 8.116 0.089 25062 8845 1 12 . 1 1 98 98 ASP N N 98 117.644 117.644 120.677 -3.033 25062 8846 1 12 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.319 0.026 25062 8847 1 12 . 1 1 98 98 ASP C C 98 177.978 177.978 178.350 -0.372 25062 8848 1 12 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.240 -0.128 25062 8849 1 12 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.996 0.995 25062 8850 1 12 . 1 1 98 98 ASP H H 98 8.139 8.139 7.900 0.239 25062 8851 1 12 . 1 1 99 99 LYS N N 99 116.691 116.691 118.558 -1.867 25062 8852 1 12 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.207 -0.183 25062 8853 1 12 . 1 1 99 99 LYS C C 99 178.061 178.061 178.846 -0.785 25062 8854 1 12 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.248 -0.242 25062 8855 1 12 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.595 -0.219 25062 8856 1 12 . 1 1 99 99 LYS H H 99 7.886 7.886 7.852 0.034 25062 8857 1 12 . 1 1 100 100 LYS N N 100 120.645 120.645 120.775 -0.130 25062 8858 1 12 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.314 -0.240 25062 8859 1 12 . 1 1 100 100 LYS C C 100 180.486 180.486 179.513 0.973 25062 8860 1 12 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.891 -0.708 25062 8861 1 12 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.107 -0.741 25062 8862 1 12 . 1 1 100 100 LYS H H 100 8.395 8.395 7.950 0.445 25062 8863 1 12 . 1 1 101 101 LYS N N 101 119.297 119.297 118.073 1.224 25062 8864 1 12 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.090 -0.008 25062 8865 1 12 . 1 1 101 101 LYS C C 101 177.669 177.669 177.444 0.225 25062 8866 1 12 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.092 0.374 25062 8867 1 12 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.397 -0.152 25062 8868 1 12 . 1 1 101 101 LYS H H 101 7.713 7.713 7.843 -0.130 25062 8869 1 12 . 1 1 102 102 LYS N N 102 116.847 116.847 118.231 -1.384 25062 8870 1 12 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.153 -0.060 25062 8871 1 12 . 1 1 102 102 LYS C C 102 176.357 176.357 176.273 0.084 25062 8872 1 12 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.515 0.274 25062 8873 1 12 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.265 -0.262 25062 8874 1 12 . 1 1 102 102 LYS H H 102 7.124 7.124 7.218 -0.094 25062 8875 1 12 . 1 1 103 103 GLY N N 103 105.781 105.781 106.391 -0.610 25062 8876 1 12 . 1 1 103 103 GLY C C 103 174.378 174.378 174.684 -0.306 25062 8877 1 12 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.125 -0.071 25062 8878 1 12 . 1 1 103 103 GLY H H 103 7.771 7.771 7.368 0.403 25062 8879 1 12 . 1 1 104 104 TYR N N 104 119.257 119.257 118.208 1.049 25062 8880 1 12 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.564 0.374 25062 8881 1 12 . 1 1 104 104 TYR C C 104 175.223 175.223 174.977 0.246 25062 8882 1 12 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.382 -0.931 25062 8883 1 12 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.119 -1.374 25062 8884 1 12 . 1 1 104 104 TYR H H 104 6.914 6.914 7.378 -0.464 25062 8885 1 12 . 1 1 105 105 ASP N N 105 122.574 122.574 123.406 -0.832 25062 8886 1 12 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.692 0.089 25062 8887 1 12 . 1 1 105 105 ASP C C 105 174.818 174.818 174.917 -0.099 25062 8888 1 12 . 1 1 105 105 ASP CA C 105 54.215 54.215 53.806 0.409 25062 8889 1 12 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.889 0.912 25062 8890 1 12 . 1 1 105 105 ASP H H 105 8.223 8.223 8.650 -0.427 25062 8891 1 12 . 1 1 106 106 VAL N N 106 121.990 121.990 124.902 -2.912 25062 8892 1 12 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.612 0.645 25062 8893 1 12 . 1 1 106 106 VAL C C 106 173.835 173.835 174.756 -0.921 25062 8894 1 12 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.219 -1.177 25062 8895 1 12 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.554 0.825 25062 8896 1 12 . 1 1 106 106 VAL H H 106 7.876 7.876 7.771 0.105 25062 8897 1 12 . 1 1 107 107 TYR N N 107 125.444 125.444 125.331 0.113 25062 8898 1 12 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.788 0.219 25062 8899 1 12 . 1 1 107 107 TYR C C 107 174.765 174.765 174.456 0.309 25062 8900 1 12 . 1 1 107 107 TYR CA C 107 56.065 56.065 57.548 -1.483 25062 8901 1 12 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.845 0.044 25062 8902 1 12 . 1 1 107 107 TYR H H 107 9.400 9.400 9.165 0.235 25062 8903 1 12 . 1 1 108 108 THR N N 108 111.100 111.100 112.587 -1.487 25062 8904 1 12 . 1 1 108 108 THR HA H 108 5.212 5.212 5.504 -0.292 25062 8905 1 12 . 1 1 108 108 THR C C 108 174.350 174.350 173.958 0.392 25062 8906 1 12 . 1 1 108 108 THR CA C 108 59.514 59.514 59.817 -0.303 25062 8907 1 12 . 1 1 108 108 THR CB C 108 70.911 70.911 72.010 -1.099 25062 8908 1 12 . 1 1 108 108 THR H H 108 8.801 8.801 8.170 0.631 25062 8909 1 12 . 1 1 109 109 SER N N 109 114.650 114.650 115.861 -1.211 25062 8910 1 12 . 1 1 109 109 SER HA H 109 4.901 4.901 4.715 0.186 25062 8911 1 12 . 1 1 109 109 SER C C 109 172.399 172.399 174.160 -1.761 25062 8912 1 12 . 1 1 109 109 SER CA C 109 57.974 57.974 57.519 0.455 25062 8913 1 12 . 1 1 109 109 SER CB C 109 67.764 67.764 66.419 1.345 25062 8914 1 12 . 1 1 109 109 SER H H 109 8.565 8.565 8.395 0.170 25062 8915 1 12 . 1 1 110 110 ARG N N 110 119.807 119.807 122.258 -2.451 25062 8916 1 12 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.533 0.476 25062 8917 1 12 . 1 1 110 110 ARG C C 110 175.995 175.995 176.003 -0.008 25062 8918 1 12 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.293 -1.284 25062 8919 1 12 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.774 1.043 25062 8920 1 12 . 1 1 110 110 ARG H H 110 8.948 8.948 8.714 0.234 25062 8921 1 12 . 1 1 111 111 ASN N N 111 110.690 110.690 112.052 -1.362 25062 8922 1 12 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.766 -0.133 25062 8923 1 12 . 1 1 111 111 ASN C C 111 174.460 174.460 175.162 -0.702 25062 8924 1 12 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.223 -0.853 25062 8925 1 12 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.724 0.393 25062 8926 1 12 . 1 1 111 111 ASN H H 111 7.426 7.426 7.640 -0.214 25062 8927 1 12 . 1 1 112 112 GLU N N 112 119.451 119.451 119.072 0.379 25062 8928 1 12 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.009 -0.201 25062 8929 1 12 . 1 1 112 112 GLU C C 112 176.445 176.445 177.653 -1.208 25062 8930 1 12 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.668 0.525 25062 8931 1 12 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.561 1.045 25062 8932 1 12 . 1 1 112 112 GLU H H 112 9.529 9.529 8.806 0.723 25062 8933 1 12 . 1 1 113 113 ASP N N 113 120.739 120.739 119.706 1.033 25062 8934 1 12 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.364 0.005 25062 8935 1 12 . 1 1 113 113 ASP C C 113 179.043 179.043 178.653 0.390 25062 8936 1 12 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.987 0.117 25062 8937 1 12 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.586 0.361 25062 8938 1 12 . 1 1 113 113 ASP H H 113 8.256 8.256 8.418 -0.162 25062 8939 1 12 . 1 1 114 114 GLU N N 114 119.817 119.817 120.422 -0.605 25062 8940 1 12 . 1 1 114 114 GLU HA H 114 4.050 4.050 3.897 0.153 25062 8941 1 12 . 1 1 114 114 GLU C C 114 178.770 178.770 178.623 0.147 25062 8942 1 12 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.195 0.045 25062 8943 1 12 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.463 1.193 25062 8944 1 12 . 1 1 114 114 GLU H H 114 8.577 8.577 7.847 0.730 25062 8945 1 12 . 1 1 115 115 ALA N N 115 121.470 121.470 122.113 -0.643 25062 8946 1 12 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.028 0.027 25062 8947 1 12 . 1 1 115 115 ALA C C 115 178.962 178.962 179.126 -0.164 25062 8948 1 12 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.214 -0.001 25062 8949 1 12 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.338 1.519 25062 8950 1 12 . 1 1 115 115 ALA H H 115 8.358 8.358 7.991 0.367 25062 8951 1 12 . 1 1 116 116 LYS N N 116 117.285 117.285 118.041 -0.756 25062 8952 1 12 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.033 -0.375 25062 8953 1 12 . 1 1 116 116 LYS C C 116 178.583 178.583 178.894 -0.311 25062 8954 1 12 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.191 1.726 25062 8955 1 12 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.400 0.411 25062 8956 1 12 . 1 1 116 116 LYS H H 116 8.350 8.350 7.743 0.607 25062 8957 1 12 . 1 1 117 117 LYS N N 117 118.433 118.433 119.820 -1.387 25062 8958 1 12 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.010 -0.024 25062 8959 1 12 . 1 1 117 117 LYS C C 117 179.380 179.380 179.217 0.163 25062 8960 1 12 . 1 1 117 117 LYS CA C 117 59.605 59.605 58.932 0.673 25062 8961 1 12 . 1 1 117 117 LYS CB C 117 32.382 32.382 31.946 0.436 25062 8962 1 12 . 1 1 117 117 LYS H H 117 7.345 7.345 7.682 -0.337 25062 8963 1 12 . 1 1 118 118 LYS N N 118 118.166 118.166 118.540 -0.374 25062 8964 1 12 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.906 0.033 25062 8965 1 12 . 1 1 118 118 LYS C C 118 178.088 178.088 178.830 -0.742 25062 8966 1 12 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.419 0.137 25062 8967 1 12 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.744 -0.604 25062 8968 1 12 . 1 1 118 118 LYS H H 118 8.130 8.130 7.729 0.401 25062 8969 1 12 . 1 1 119 119 LEU N N 119 120.654 120.654 121.650 -0.996 25062 8970 1 12 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.897 -0.113 25062 8971 1 12 . 1 1 119 119 LEU C C 119 177.567 177.567 177.981 -0.414 25062 8972 1 12 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.933 -0.019 25062 8973 1 12 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.746 0.428 25062 8974 1 12 . 1 1 119 119 LEU H H 119 8.592 8.592 7.883 0.709 25062 8975 1 12 . 1 1 120 120 LYS N N 120 118.314 118.314 118.434 -0.120 25062 8976 1 12 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.674 -0.129 25062 8977 1 12 . 1 1 120 120 LYS C C 120 178.624 178.624 179.014 -0.390 25062 8978 1 12 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.684 0.606 25062 8979 1 12 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.120 -0.356 25062 8980 1 12 . 1 1 120 120 LYS H H 120 7.753 7.753 7.675 0.078 25062 8981 1 12 . 1 1 121 121 GLU N N 121 118.446 118.446 119.498 -1.052 25062 8982 1 12 . 1 1 121 121 GLU HA H 121 4.006 4.006 3.906 0.100 25062 8983 1 12 . 1 1 121 121 GLU C C 121 178.744 178.744 178.634 0.110 25062 8984 1 12 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.406 0.133 25062 8985 1 12 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.279 0.084 25062 8986 1 12 . 1 1 121 121 GLU H H 121 7.777 7.777 7.810 -0.033 25062 8987 1 12 . 1 1 122 122 ALA N N 122 121.333 121.333 121.973 -0.640 25062 8988 1 12 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.132 -0.176 25062 8989 1 12 . 1 1 122 122 ALA C C 122 179.973 179.973 179.526 0.447 25062 8990 1 12 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.778 0.182 25062 8991 1 12 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.511 -0.083 25062 8992 1 12 . 1 1 122 122 ALA H H 122 8.229 8.229 7.545 0.684 25062 8993 1 12 . 1 1 123 123 LEU N N 123 118.790 118.790 118.123 0.667 25062 8994 1 12 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.990 -0.210 25062 8995 1 12 . 1 1 123 123 LEU C C 123 179.703 179.703 179.071 0.632 25062 8996 1 12 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.059 0.829 25062 8997 1 12 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.573 -0.721 25062 8998 1 12 . 1 1 123 123 LEU H H 123 8.177 8.177 7.775 0.402 25062 8999 1 12 . 1 1 124 124 GLU N N 124 120.881 120.881 118.136 2.745 25062 9000 1 12 . 1 1 124 124 GLU HA H 124 4.144 4.144 3.938 0.206 25062 9001 1 12 . 1 1 124 124 GLU C C 124 179.732 179.732 178.996 0.736 25062 9002 1 12 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.012 0.427 25062 9003 1 12 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.374 0.146 25062 9004 1 12 . 1 1 124 124 GLU H H 124 8.393 8.393 8.090 0.303 25062 9005 1 12 . 1 1 125 125 LYS N N 125 119.526 119.526 118.695 0.831 25062 9006 1 12 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.189 0.070 25062 9007 1 12 . 1 1 125 125 LYS C C 125 177.862 177.862 178.495 -0.633 25062 9008 1 12 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.244 -0.299 25062 9009 1 12 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.291 0.066 25062 9010 1 12 . 1 1 125 125 LYS H H 125 8.290 8.290 7.760 0.530 25062 9011 1 12 . 1 1 126 126 SER N N 126 114.103 114.103 112.755 1.348 25062 9012 1 12 . 1 1 126 126 SER HA H 126 4.385 4.385 4.382 0.003 25062 9013 1 12 . 1 1 126 126 SER C C 126 174.460 174.460 175.662 -1.202 25062 9014 1 12 . 1 1 126 126 SER CA C 126 59.611 59.611 59.315 0.296 25062 9015 1 12 . 1 1 126 126 SER CB C 126 63.479 63.479 63.987 -0.508 25062 9016 1 12 . 1 1 126 126 SER H H 126 7.702 7.702 7.760 -0.058 25062 9017 1 12 . 1 1 127 127 GLY N N 127 108.584 108.584 109.467 -0.883 25062 9018 1 12 . 1 1 127 127 GLY C C 127 174.103 174.103 175.062 -0.959 25062 9019 1 12 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.880 0.557 25062 9020 1 12 . 1 1 127 127 GLY H H 127 7.933 7.933 7.648 0.285 25062 9021 1 12 . 1 1 128 128 SER N N 128 115.990 115.990 119.259 -3.269 25062 9022 1 12 . 1 1 128 128 SER HA H 128 4.590 4.590 4.523 0.067 25062 9023 1 12 . 1 1 128 128 SER C C 128 174.412 174.412 174.324 0.088 25062 9024 1 12 . 1 1 128 128 SER CA C 128 57.986 57.986 59.869 -1.883 25062 9025 1 12 . 1 1 128 128 SER CB C 128 63.336 63.336 62.078 1.258 25062 9026 1 12 . 1 1 128 128 SER H H 128 8.091 8.091 8.038 0.053 25062 9027 1 12 . 1 1 129 129 LEU N N 129 125.492 125.492 124.987 0.505 25062 9028 1 12 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.418 0.023 25062 9029 1 12 . 1 1 129 129 LEU C C 129 177.084 177.084 176.657 0.427 25062 9030 1 12 . 1 1 129 129 LEU CA C 129 54.876 54.876 55.740 -0.864 25062 9031 1 12 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.596 -0.287 25062 9032 1 12 . 1 1 129 129 LEU H H 129 8.262 8.262 7.825 0.437 25062 9033 1 12 . 1 1 130 130 GLU N N 130 121.006 121.006 113.825 7.181 25062 9034 1 12 . 1 1 130 130 GLU HA H 130 3.975 3.975 3.931 0.044 25062 9035 1 12 . 1 1 130 130 GLU C C 130 176.435 176.435 174.966 1.469 25062 9036 1 12 . 1 1 130 130 GLU CA C 130 56.812 56.812 57.705 -0.892 25062 9037 1 12 . 1 1 130 130 GLU CB C 130 30.279 30.279 28.044 2.235 25062 9038 1 12 . 1 1 130 130 GLU H H 130 8.398 8.398 8.450 -0.052 25062 9039 1 12 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.750 -0.159 25062 9040 1 12 . 1 1 131 131 HIS C C 131 174.179 174.179 174.128 0.051 25062 9041 1 12 . 1 1 131 131 HIS CA C 131 56.149 56.149 54.498 1.651 25062 9042 1 12 . 1 1 131 131 HIS CB C 131 30.831 30.831 31.997 -1.166 25062 9043 1 12 . 1 1 132 132 HIS N N 132 125.794 125.794 119.719 6.075 25062 9044 1 12 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.714 -0.298 25062 9045 1 12 . 1 1 132 132 HIS C C 132 179.523 179.523 174.289 5.234 25062 9046 1 12 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.705 1.811 25062 9047 1 12 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.827 1.181 25062 9048 1 12 . 1 1 132 132 HIS H H 132 7.935 7.935 8.771 -0.836 25062 9049 1 13 . 1 1 2 2 GLY N N 2 109.342 109.342 104.529 4.813 25062 9050 1 13 . 1 1 2 2 GLY C C 2 172.736 172.736 171.312 1.424 25062 9051 1 13 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.783 -0.127 25062 9052 1 13 . 1 1 2 2 GLY H H 2 8.632 8.632 7.422 1.210 25062 9053 1 13 . 1 1 3 3 VAL N N 3 123.457 123.457 119.023 4.434 25062 9054 1 13 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.764 0.217 25062 9055 1 13 . 1 1 3 3 VAL C C 3 173.780 173.780 174.595 -0.815 25062 9056 1 13 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.510 -1.160 25062 9057 1 13 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.378 -0.265 25062 9058 1 13 . 1 1 3 3 VAL H H 3 7.516 7.516 7.717 -0.201 25062 9059 1 13 . 1 1 4 4 VAL N N 4 125.375 125.375 125.553 -0.178 25062 9060 1 13 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.663 -0.132 25062 9061 1 13 . 1 1 4 4 VAL C C 4 173.185 173.185 174.609 -1.424 25062 9062 1 13 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.251 -0.750 25062 9063 1 13 . 1 1 4 4 VAL CB C 4 33.795 33.795 34.071 -0.276 25062 9064 1 13 . 1 1 4 4 VAL H H 4 8.810 8.810 8.745 0.065 25062 9065 1 13 . 1 1 5 5 ILE N N 5 127.180 127.180 128.115 -0.935 25062 9066 1 13 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.521 0.348 25062 9067 1 13 . 1 1 5 5 ILE C C 5 174.303 174.303 174.764 -0.461 25062 9068 1 13 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.196 -0.786 25062 9069 1 13 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.746 -0.103 25062 9070 1 13 . 1 1 5 5 ILE H H 5 8.800 8.800 9.080 -0.280 25062 9071 1 13 . 1 1 6 6 LEU N N 6 129.025 129.025 129.460 -0.435 25062 9072 1 13 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.689 0.324 25062 9073 1 13 . 1 1 6 6 LEU C C 6 174.847 174.847 176.182 -1.335 25062 9074 1 13 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.793 -0.325 25062 9075 1 13 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.986 2.308 25062 9076 1 13 . 1 1 6 6 LEU H H 6 9.424 9.424 8.942 0.482 25062 9077 1 13 . 1 1 7 7 VAL N N 7 123.364 123.364 126.261 -2.897 25062 9078 1 13 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.539 0.118 25062 9079 1 13 . 1 1 7 7 VAL C C 7 174.210 174.210 175.370 -1.160 25062 9080 1 13 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.874 -0.047 25062 9081 1 13 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.099 1.154 25062 9082 1 13 . 1 1 7 7 VAL H H 7 8.653 8.653 8.832 -0.179 25062 9083 1 13 . 1 1 8 8 LEU N N 8 130.560 130.560 131.408 -0.848 25062 9084 1 13 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.037 0.259 25062 9085 1 13 . 1 1 8 8 LEU C C 8 175.744 175.744 176.829 -1.085 25062 9086 1 13 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.014 -0.128 25062 9087 1 13 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.620 0.875 25062 9088 1 13 . 1 1 8 8 LEU H H 8 9.069 9.069 8.595 0.474 25062 9089 1 13 . 1 1 9 9 THR N N 9 112.810 112.810 114.699 -1.889 25062 9090 1 13 . 1 1 9 9 THR HA H 9 4.959 4.959 5.062 -0.103 25062 9091 1 13 . 1 1 9 9 THR C C 9 174.213 174.213 176.439 -2.226 25062 9092 1 13 . 1 1 9 9 THR CA C 9 59.948 59.948 59.550 0.398 25062 9093 1 13 . 1 1 9 9 THR CB C 9 70.756 70.756 70.829 -0.073 25062 9094 1 13 . 1 1 9 9 THR H H 9 8.028 8.028 8.588 -0.560 25062 9095 1 13 . 1 1 10 10 GLY N N 10 107.740 107.740 112.471 -4.731 25062 9096 1 13 . 1 1 10 10 GLY C C 10 173.064 173.064 173.407 -0.343 25062 9097 1 13 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.532 -1.102 25062 9098 1 13 . 1 1 10 10 GLY H H 10 7.827 7.827 8.872 -1.045 25062 9099 1 13 . 1 1 11 11 ASP N N 11 119.119 119.119 118.638 0.481 25062 9100 1 13 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.733 0.120 25062 9101 1 13 . 1 1 11 11 ASP C C 11 176.118 176.118 176.535 -0.417 25062 9102 1 13 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.646 0.326 25062 9103 1 13 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.018 0.223 25062 9104 1 13 . 1 1 11 11 ASP H H 11 7.642 7.642 7.812 -0.170 25062 9105 1 13 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.010 0.090 25062 9106 1 13 . 1 1 12 12 GLU C C 12 178.508 178.508 177.986 0.522 25062 9107 1 13 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.178 -0.714 25062 9108 1 13 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.980 -0.646 25062 9109 1 13 . 1 1 13 13 ARG N N 13 121.589 121.589 117.732 3.857 25062 9110 1 13 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.039 0.098 25062 9111 1 13 . 1 1 13 13 ARG C C 13 179.625 179.625 178.720 0.905 25062 9112 1 13 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.922 0.496 25062 9113 1 13 . 1 1 13 13 ARG CB C 13 29.355 29.355 30.095 -0.740 25062 9114 1 13 . 1 1 13 13 ARG H H 13 8.593 8.593 8.455 0.138 25062 9115 1 13 . 1 1 14 14 ILE N N 14 119.911 119.911 119.599 0.312 25062 9116 1 13 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.752 -0.102 25062 9117 1 13 . 1 1 14 14 ILE C C 14 177.727 177.727 177.694 0.033 25062 9118 1 13 . 1 1 14 14 ILE CA C 14 65.158 65.158 65.004 0.154 25062 9119 1 13 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.724 -0.385 25062 9120 1 13 . 1 1 14 14 ILE H H 14 7.823 7.823 7.871 -0.048 25062 9121 1 13 . 1 1 15 15 ALA N N 15 121.015 121.015 120.675 0.340 25062 9122 1 13 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.876 -0.157 25062 9123 1 13 . 1 1 15 15 ALA C C 15 178.994 178.994 178.980 0.014 25062 9124 1 13 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.181 0.709 25062 9125 1 13 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.895 -0.044 25062 9126 1 13 . 1 1 15 15 ALA H H 15 7.610 7.610 7.951 -0.341 25062 9127 1 13 . 1 1 16 16 GLU N N 16 117.655 117.655 118.393 -0.738 25062 9128 1 13 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.825 0.309 25062 9129 1 13 . 1 1 16 16 GLU C C 16 178.517 178.517 178.719 -0.202 25062 9130 1 13 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.045 -0.766 25062 9131 1 13 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.448 -0.227 25062 9132 1 13 . 1 1 16 16 GLU H H 16 7.808 7.808 7.572 0.236 25062 9133 1 13 . 1 1 17 17 GLU N N 17 119.648 119.648 119.502 0.146 25062 9134 1 13 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.075 -0.021 25062 9135 1 13 . 1 1 17 17 GLU C C 17 180.213 180.213 179.389 0.824 25062 9136 1 13 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.740 0.494 25062 9137 1 13 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.338 -0.186 25062 9138 1 13 . 1 1 17 17 GLU H H 17 8.002 8.002 7.962 0.040 25062 9139 1 13 . 1 1 18 18 LEU N N 18 119.118 119.118 119.685 -0.567 25062 9140 1 13 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.095 0.005 25062 9141 1 13 . 1 1 18 18 LEU C C 18 178.233 178.233 178.819 -0.586 25062 9142 1 13 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.364 0.442 25062 9143 1 13 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.580 -0.709 25062 9144 1 13 . 1 1 18 18 LEU H H 18 8.554 8.554 8.201 0.353 25062 9145 1 13 . 1 1 19 19 ARG N N 19 122.158 122.158 119.901 2.257 25062 9146 1 13 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.029 -0.214 25062 9147 1 13 . 1 1 19 19 ARG C C 19 178.686 178.686 178.396 0.290 25062 9148 1 13 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.846 1.070 25062 9149 1 13 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.780 -0.441 25062 9150 1 13 . 1 1 19 19 ARG H H 19 8.274 8.274 7.527 0.747 25062 9151 1 13 . 1 1 20 20 LYS N N 20 118.130 118.130 118.268 -0.138 25062 9152 1 13 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.953 -0.018 25062 9153 1 13 . 1 1 20 20 LYS C C 20 179.078 179.078 178.808 0.270 25062 9154 1 13 . 1 1 20 20 LYS CA C 20 59.753 59.753 60.037 -0.284 25062 9155 1 13 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.145 0.295 25062 9156 1 13 . 1 1 20 20 LYS H H 20 7.977 7.977 7.750 0.227 25062 9157 1 13 . 1 1 21 21 GLU N N 21 120.451 120.451 119.415 1.036 25062 9158 1 13 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.157 -0.102 25062 9159 1 13 . 1 1 21 21 GLU C C 21 178.995 178.995 179.188 -0.193 25062 9160 1 13 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.088 0.015 25062 9161 1 13 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.192 -0.028 25062 9162 1 13 . 1 1 21 21 GLU H H 21 7.813 7.813 7.683 0.130 25062 9163 1 13 . 1 1 22 22 VAL N N 22 119.654 119.654 119.902 -0.248 25062 9164 1 13 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.703 -0.263 25062 9165 1 13 . 1 1 22 22 VAL C C 22 176.428 176.428 178.215 -1.787 25062 9166 1 13 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.155 -0.034 25062 9167 1 13 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.758 -0.306 25062 9168 1 13 . 1 1 22 22 VAL H H 22 8.146 8.146 8.219 -0.073 25062 9169 1 13 . 1 1 23 23 GLN N N 23 116.884 116.884 117.988 -1.104 25062 9170 1 13 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.222 -0.270 25062 9171 1 13 . 1 1 23 23 GLN C C 23 177.429 177.429 177.508 -0.079 25062 9172 1 13 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.260 0.507 25062 9173 1 13 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.650 -0.099 25062 9174 1 13 . 1 1 23 23 GLN H H 23 7.588 7.588 7.606 -0.018 25062 9175 1 13 . 1 1 24 24 LYS N N 24 116.529 116.529 116.918 -0.389 25062 9176 1 13 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.148 -0.152 25062 9177 1 13 . 1 1 24 24 LYS C C 24 177.508 177.508 178.616 -1.108 25062 9178 1 13 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.965 0.450 25062 9179 1 13 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.462 0.455 25062 9180 1 13 . 1 1 24 24 LYS H H 24 7.544 7.544 7.867 -0.323 25062 9181 1 13 . 1 1 25 25 HIS N N 25 119.657 119.657 118.424 1.233 25062 9182 1 13 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.320 -0.067 25062 9183 1 13 . 1 1 25 25 HIS C C 25 175.915 175.915 175.063 0.852 25062 9184 1 13 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.768 0.674 25062 9185 1 13 . 1 1 25 25 HIS CB C 25 31.870 31.870 30.970 0.900 25062 9186 1 13 . 1 1 25 25 HIS H H 25 7.809 7.809 8.087 -0.278 25062 9187 1 13 . 1 1 26 26 ASP N N 26 113.221 113.221 115.820 -2.599 25062 9188 1 13 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.968 -0.233 25062 9189 1 13 . 1 1 26 26 ASP C C 26 173.856 173.856 174.401 -0.545 25062 9190 1 13 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.211 -0.541 25062 9191 1 13 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.785 -0.418 25062 9192 1 13 . 1 1 26 26 ASP H H 26 8.358 8.358 8.312 0.046 25062 9193 1 13 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.558 0.008 25062 9194 1 13 . 1 1 27 27 PRO C C 27 176.845 176.845 176.704 0.141 25062 9195 1 13 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.953 -0.076 25062 9196 1 13 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.347 -0.062 25062 9197 1 13 . 1 1 28 28 ASN N N 28 115.529 115.529 116.385 -0.856 25062 9198 1 13 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.711 -0.039 25062 9199 1 13 . 1 1 28 28 ASN C C 28 175.632 175.632 175.642 -0.010 25062 9200 1 13 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.551 0.264 25062 9201 1 13 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.495 -0.401 25062 9202 1 13 . 1 1 28 28 ASN H H 28 8.570 8.570 7.959 0.611 25062 9203 1 13 . 1 1 29 29 VAL N N 29 121.867 121.867 121.006 0.861 25062 9204 1 13 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.006 -0.122 25062 9205 1 13 . 1 1 29 29 VAL C C 29 175.085 175.085 175.971 -0.886 25062 9206 1 13 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.455 -0.280 25062 9207 1 13 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.707 0.291 25062 9208 1 13 . 1 1 29 29 VAL H H 29 7.465 7.465 7.545 -0.080 25062 9209 1 13 . 1 1 30 30 LYS N N 30 130.242 130.242 128.186 2.056 25062 9210 1 13 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.404 0.030 25062 9211 1 13 . 1 1 30 30 LYS C C 30 175.093 175.093 176.084 -0.991 25062 9212 1 13 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.589 -0.216 25062 9213 1 13 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.276 -0.850 25062 9214 1 13 . 1 1 30 30 LYS H H 30 9.036 9.036 8.031 1.005 25062 9215 1 13 . 1 1 31 31 THR N N 31 113.173 113.173 113.355 -0.182 25062 9216 1 13 . 1 1 31 31 THR HA H 31 5.688 5.688 5.499 0.189 25062 9217 1 13 . 1 1 31 31 THR C C 31 174.708 174.708 174.164 0.544 25062 9218 1 13 . 1 1 31 31 THR CA C 31 58.537 58.537 59.930 -1.393 25062 9219 1 13 . 1 1 31 31 THR CB C 31 71.419 71.419 70.447 0.972 25062 9220 1 13 . 1 1 31 31 THR H H 31 8.185 8.185 8.238 -0.053 25062 9221 1 13 . 1 1 32 32 VAL N N 32 122.168 122.168 126.004 -3.836 25062 9222 1 13 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.662 0.233 25062 9223 1 13 . 1 1 32 32 VAL C C 32 173.388 173.388 174.042 -0.654 25062 9224 1 13 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.850 -0.117 25062 9225 1 13 . 1 1 32 32 VAL CB C 32 33.904 33.904 33.669 0.235 25062 9226 1 13 . 1 1 32 32 VAL H H 32 8.968 8.968 8.214 0.754 25062 9227 1 13 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.845 0.129 25062 9228 1 13 . 1 1 33 33 PRO C C 33 177.848 177.848 178.440 -0.592 25062 9229 1 13 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.553 -0.211 25062 9230 1 13 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.493 0.528 25062 9231 1 13 . 1 1 34 34 THR N N 34 114.266 114.266 113.381 0.885 25062 9232 1 13 . 1 1 34 34 THR HA H 34 4.118 4.118 4.199 -0.081 25062 9233 1 13 . 1 1 34 34 THR C C 34 176.879 176.879 176.277 0.602 25062 9234 1 13 . 1 1 34 34 THR CA C 34 64.607 64.607 65.259 -0.652 25062 9235 1 13 . 1 1 34 34 THR CB C 34 68.311 68.311 68.888 -0.577 25062 9236 1 13 . 1 1 34 34 THR H H 34 9.033 9.033 8.620 0.413 25062 9237 1 13 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.179 0.066 25062 9238 1 13 . 1 1 35 35 LYS C C 35 176.639 176.639 177.406 -0.767 25062 9239 1 13 . 1 1 35 35 LYS CA C 35 58.134 58.134 57.995 0.139 25062 9240 1 13 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.389 -0.086 25062 9241 1 13 . 1 1 36 36 ASP N N 36 120.993 120.993 119.379 1.614 25062 9242 1 13 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.900 0.115 25062 9243 1 13 . 1 1 36 36 ASP C C 36 176.202 176.202 175.678 0.524 25062 9244 1 13 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.594 -0.158 25062 9245 1 13 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.025 1.085 25062 9246 1 13 . 1 1 36 36 ASP H H 36 7.726 7.726 7.674 0.052 25062 9247 1 13 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.891 0.097 25062 9248 1 13 . 1 1 37 37 LYS C C 37 177.948 177.948 178.095 -0.147 25062 9249 1 13 . 1 1 37 37 LYS CA C 37 59.308 59.308 60.144 -0.836 25062 9250 1 13 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.594 0.254 25062 9251 1 13 . 1 1 38 38 GLU N N 38 119.141 119.141 117.739 1.402 25062 9252 1 13 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.071 0.179 25062 9253 1 13 . 1 1 38 38 GLU C C 38 178.054 178.054 178.394 -0.340 25062 9254 1 13 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.907 -0.405 25062 9255 1 13 . 1 1 38 38 GLU CB C 38 29.207 29.207 28.993 0.214 25062 9256 1 13 . 1 1 38 38 GLU H H 38 8.883 8.883 8.698 0.185 25062 9257 1 13 . 1 1 39 39 LYS N N 39 118.440 118.440 118.191 0.249 25062 9258 1 13 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.165 0.342 25062 9259 1 13 . 1 1 39 39 LYS C C 39 177.126 177.126 178.647 -1.521 25062 9260 1 13 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.952 -1.645 25062 9261 1 13 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.529 0.895 25062 9262 1 13 . 1 1 39 39 LYS H H 39 8.064 8.064 8.052 0.012 25062 9263 1 13 . 1 1 40 40 VAL N N 40 118.130 118.130 120.543 -2.413 25062 9264 1 13 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.560 -0.165 25062 9265 1 13 . 1 1 40 40 VAL C C 40 176.934 176.934 177.609 -0.675 25062 9266 1 13 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.288 0.333 25062 9267 1 13 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.327 0.328 25062 9268 1 13 . 1 1 40 40 VAL H H 40 7.308 7.308 7.813 -0.505 25062 9269 1 13 . 1 1 41 41 LYS N N 41 118.555 118.555 118.303 0.252 25062 9270 1 13 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.851 -0.208 25062 9271 1 13 . 1 1 41 41 LYS C C 41 178.363 178.363 178.549 -0.186 25062 9272 1 13 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.627 1.660 25062 9273 1 13 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.908 -0.454 25062 9274 1 13 . 1 1 41 41 LYS H H 41 8.150 8.150 8.277 -0.127 25062 9275 1 13 . 1 1 42 42 GLU N N 42 119.454 119.454 118.040 1.414 25062 9276 1 13 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.118 -0.020 25062 9277 1 13 . 1 1 42 42 GLU C C 42 179.552 179.552 179.061 0.491 25062 9278 1 13 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.887 0.369 25062 9279 1 13 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.212 0.383 25062 9280 1 13 . 1 1 42 42 GLU H H 42 8.067 8.067 7.837 0.230 25062 9281 1 13 . 1 1 43 43 GLU N N 43 118.427 118.427 119.216 -0.789 25062 9282 1 13 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.237 0.058 25062 9283 1 13 . 1 1 43 43 GLU C C 43 180.076 180.076 179.222 0.854 25062 9284 1 13 . 1 1 43 43 GLU CA C 43 58.455 58.455 57.839 0.616 25062 9285 1 13 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.267 -0.622 25062 9286 1 13 . 1 1 43 43 GLU H H 43 8.189 8.189 8.187 0.002 25062 9287 1 13 . 1 1 44 44 ILE N N 44 122.905 122.905 121.455 1.450 25062 9288 1 13 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.673 -0.038 25062 9289 1 13 . 1 1 44 44 ILE C C 44 176.828 176.828 177.650 -0.822 25062 9290 1 13 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.961 0.436 25062 9291 1 13 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.849 -0.310 25062 9292 1 13 . 1 1 44 44 ILE H H 44 8.734 8.734 8.518 0.216 25062 9293 1 13 . 1 1 45 45 GLU N N 45 120.098 120.098 120.170 -0.072 25062 9294 1 13 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.038 0.101 25062 9295 1 13 . 1 1 45 45 GLU C C 45 178.930 178.930 179.006 -0.076 25062 9296 1 13 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.558 -0.069 25062 9297 1 13 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.173 -0.025 25062 9298 1 13 . 1 1 45 45 GLU H H 45 8.099 8.099 7.879 0.220 25062 9299 1 13 . 1 1 46 46 LYS N N 46 118.360 118.360 118.769 -0.409 25062 9300 1 13 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.089 -0.080 25062 9301 1 13 . 1 1 46 46 LYS C C 46 178.775 178.775 178.985 -0.210 25062 9302 1 13 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.601 1.301 25062 9303 1 13 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.704 0.997 25062 9304 1 13 . 1 1 46 46 LYS H H 46 7.854 7.854 7.535 0.319 25062 9305 1 13 . 1 1 47 47 ALA N N 47 122.551 122.551 122.101 0.450 25062 9306 1 13 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.011 0.117 25062 9307 1 13 . 1 1 47 47 ALA C C 47 180.095 180.095 179.337 0.758 25062 9308 1 13 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.220 0.183 25062 9309 1 13 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.380 -0.675 25062 9310 1 13 . 1 1 47 47 ALA H H 47 8.135 8.135 7.996 0.139 25062 9311 1 13 . 1 1 48 48 ARG N N 48 118.945 118.945 118.826 0.119 25062 9312 1 13 . 1 1 48 48 ARG HA H 48 4.057 4.057 3.956 0.101 25062 9313 1 13 . 1 1 48 48 ARG C C 48 179.960 179.960 178.376 1.584 25062 9314 1 13 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.378 -0.091 25062 9315 1 13 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.138 -0.686 25062 9316 1 13 . 1 1 48 48 ARG H H 48 8.655 8.655 8.228 0.427 25062 9317 1 13 . 1 1 49 49 LYS N N 49 119.557 119.557 118.202 1.355 25062 9318 1 13 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.175 -0.118 25062 9319 1 13 . 1 1 49 49 LYS C C 49 178.288 178.288 178.694 -0.406 25062 9320 1 13 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.267 0.704 25062 9321 1 13 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.221 0.432 25062 9322 1 13 . 1 1 49 49 LYS H H 49 8.058 8.058 7.736 0.322 25062 9323 1 13 . 1 1 50 50 GLN N N 50 115.215 115.215 115.807 -0.592 25062 9324 1 13 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.341 0.036 25062 9325 1 13 . 1 1 50 50 GLN C C 50 176.439 176.439 176.814 -0.375 25062 9326 1 13 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.464 0.509 25062 9327 1 13 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.233 0.575 25062 9328 1 13 . 1 1 50 50 GLN H H 50 7.938 7.938 7.877 0.061 25062 9329 1 13 . 1 1 51 51 GLY N N 51 109.413 109.413 107.393 2.020 25062 9330 1 13 . 1 1 51 51 GLY C C 51 174.570 174.570 174.143 0.427 25062 9331 1 13 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.613 0.982 25062 9332 1 13 . 1 1 51 51 GLY H H 51 8.070 8.070 7.586 0.484 25062 9333 1 13 . 1 1 52 52 ARG N N 52 119.414 119.414 119.526 -0.112 25062 9334 1 13 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.940 -0.038 25062 9335 1 13 . 1 1 52 52 ARG C C 52 173.093 173.093 174.203 -1.110 25062 9336 1 13 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.201 0.776 25062 9337 1 13 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.379 1.031 25062 9338 1 13 . 1 1 52 52 ARG H H 52 7.950 7.950 8.172 -0.222 25062 9339 1 13 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.959 0.115 25062 9340 1 13 . 1 1 53 53 PRO C C 53 174.179 174.179 175.819 -1.640 25062 9341 1 13 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.325 -0.348 25062 9342 1 13 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.868 -0.334 25062 9343 1 13 . 1 1 54 54 ILE N N 54 115.161 115.161 119.748 -4.587 25062 9344 1 13 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.635 0.323 25062 9345 1 13 . 1 1 54 54 ILE C C 54 172.097 172.097 173.539 -1.442 25062 9346 1 13 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.411 -0.638 25062 9347 1 13 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.932 -0.197 25062 9348 1 13 . 1 1 54 54 ILE H H 54 7.718 7.718 8.207 -0.489 25062 9349 1 13 . 1 1 55 55 VAL N N 55 126.019 126.019 129.003 -2.984 25062 9350 1 13 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.673 0.207 25062 9351 1 13 . 1 1 55 55 VAL C C 55 173.844 173.844 174.773 -0.929 25062 9352 1 13 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.186 0.107 25062 9353 1 13 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.198 2.070 25062 9354 1 13 . 1 1 55 55 VAL H H 55 8.352 8.352 8.701 -0.349 25062 9355 1 13 . 1 1 56 56 VAL N N 56 127.584 127.584 127.685 -0.101 25062 9356 1 13 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.048 0.393 25062 9357 1 13 . 1 1 56 56 VAL C C 56 173.968 173.968 174.432 -0.464 25062 9358 1 13 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.302 -0.759 25062 9359 1 13 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.525 1.855 25062 9360 1 13 . 1 1 56 56 VAL H H 56 9.291 9.291 8.526 0.765 25062 9361 1 13 . 1 1 57 57 PHE N N 57 125.432 125.432 125.940 -0.508 25062 9362 1 13 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.158 -0.228 25062 9363 1 13 . 1 1 57 57 PHE C C 57 174.987 174.987 174.903 0.084 25062 9364 1 13 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.601 1.607 25062 9365 1 13 . 1 1 57 57 PHE CB C 57 39.886 39.886 40.156 -0.270 25062 9366 1 13 . 1 1 57 57 PHE H H 57 8.585 8.585 8.707 -0.122 25062 9367 1 13 . 1 1 58 58 VAL N N 58 123.763 123.763 121.268 2.495 25062 9368 1 13 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.448 -0.246 25062 9369 1 13 . 1 1 58 58 VAL C C 58 174.791 174.791 174.958 -0.167 25062 9370 1 13 . 1 1 58 58 VAL CA C 58 60.881 60.881 59.831 1.050 25062 9371 1 13 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.433 -0.721 25062 9372 1 13 . 1 1 58 58 VAL H H 58 9.008 9.008 8.632 0.376 25062 9373 1 13 . 1 1 59 59 ARG N N 59 127.924 127.924 123.861 4.063 25062 9374 1 13 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.661 -0.079 25062 9375 1 13 . 1 1 59 59 ARG C C 59 177.755 177.755 177.941 -0.186 25062 9376 1 13 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.952 0.586 25062 9377 1 13 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.480 -0.967 25062 9378 1 13 . 1 1 59 59 ARG H H 59 8.820 8.820 8.782 0.038 25062 9379 1 13 . 1 1 60 60 GLY N N 60 110.441 110.441 111.217 -0.776 25062 9380 1 13 . 1 1 60 60 GLY C C 60 174.818 174.818 175.323 -0.505 25062 9381 1 13 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.827 0.161 25062 9382 1 13 . 1 1 60 60 GLY H H 60 8.200 8.200 8.309 -0.109 25062 9383 1 13 . 1 1 61 61 GLY N N 61 109.411 109.411 107.889 1.522 25062 9384 1 13 . 1 1 61 61 GLY C C 61 174.550 174.550 173.060 1.490 25062 9385 1 13 . 1 1 61 61 GLY CA C 61 45.431 45.431 44.586 0.845 25062 9386 1 13 . 1 1 61 61 GLY H H 61 7.995 7.995 8.405 -0.410 25062 9387 1 13 . 1 1 62 62 ASP N N 62 122.920 122.920 120.039 2.881 25062 9388 1 13 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.884 0.137 25062 9389 1 13 . 1 1 62 62 ASP C C 62 176.247 176.247 176.165 0.082 25062 9390 1 13 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.845 -1.318 25062 9391 1 13 . 1 1 62 62 ASP CB C 62 39.815 39.815 41.875 -2.060 25062 9392 1 13 . 1 1 62 62 ASP H H 62 8.090 8.090 7.675 0.415 25062 9393 1 13 . 1 1 63 63 ASP N N 63 121.058 121.058 120.578 0.480 25062 9394 1 13 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.326 -0.060 25062 9395 1 13 . 1 1 63 63 ASP C C 63 178.418 178.418 177.777 0.641 25062 9396 1 13 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.390 -0.049 25062 9397 1 13 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.801 0.771 25062 9398 1 13 . 1 1 63 63 ASP H H 63 8.023 8.023 8.780 -0.757 25062 9399 1 13 . 1 1 64 64 GLU N N 64 119.564 119.564 117.609 1.955 25062 9400 1 13 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.073 -0.022 25062 9401 1 13 . 1 1 64 64 GLU C C 64 178.321 178.321 178.432 -0.111 25062 9402 1 13 . 1 1 64 64 GLU CA C 64 59.382 59.382 58.887 0.495 25062 9403 1 13 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.080 -0.036 25062 9404 1 13 . 1 1 64 64 GLU H H 64 8.760 8.760 8.719 0.041 25062 9405 1 13 . 1 1 65 65 ARG N N 65 119.839 119.839 119.175 0.664 25062 9406 1 13 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.490 -0.294 25062 9407 1 13 . 1 1 65 65 ARG C C 65 178.305 178.305 178.148 0.157 25062 9408 1 13 . 1 1 65 65 ARG CA C 65 59.052 59.052 57.645 1.407 25062 9409 1 13 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.101 0.536 25062 9410 1 13 . 1 1 65 65 ARG H H 65 7.643 7.643 7.612 0.031 25062 9411 1 13 . 1 1 66 66 ALA N N 66 118.984 118.984 122.367 -3.383 25062 9412 1 13 . 1 1 66 66 ALA HA H 66 3.866 3.866 3.923 -0.057 25062 9413 1 13 . 1 1 66 66 ALA C C 66 178.638 178.638 179.170 -0.532 25062 9414 1 13 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.523 -0.056 25062 9415 1 13 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.294 0.067 25062 9416 1 13 . 1 1 66 66 ALA H H 66 7.782 7.782 7.713 0.069 25062 9417 1 13 . 1 1 67 67 LYS N N 67 117.711 117.711 116.144 1.567 25062 9418 1 13 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.156 -0.137 25062 9419 1 13 . 1 1 67 67 LYS C C 67 178.363 178.363 178.651 -0.288 25062 9420 1 13 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.240 0.333 25062 9421 1 13 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.097 0.127 25062 9422 1 13 . 1 1 67 67 LYS H H 67 8.010 8.010 7.945 0.065 25062 9423 1 13 . 1 1 68 68 ASP N N 68 119.581 119.581 121.647 -2.066 25062 9424 1 13 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.514 -0.100 25062 9425 1 13 . 1 1 68 68 ASP C C 68 179.235 179.235 178.401 0.834 25062 9426 1 13 . 1 1 68 68 ASP CA C 68 57.494 57.494 56.810 0.684 25062 9427 1 13 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.752 0.635 25062 9428 1 13 . 1 1 68 68 ASP H H 68 7.999 7.999 7.561 0.438 25062 9429 1 13 . 1 1 69 69 ILE N N 69 119.307 119.307 120.312 -1.005 25062 9430 1 13 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.752 -0.159 25062 9431 1 13 . 1 1 69 69 ILE C C 69 176.927 176.927 177.951 -1.024 25062 9432 1 13 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.248 -0.022 25062 9433 1 13 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.833 0.030 25062 9434 1 13 . 1 1 69 69 ILE H H 69 8.283 8.283 8.236 0.047 25062 9435 1 13 . 1 1 70 70 ALA N N 70 121.395 121.395 120.383 1.012 25062 9436 1 13 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.780 -0.048 25062 9437 1 13 . 1 1 70 70 ALA C C 70 178.770 178.770 179.191 -0.421 25062 9438 1 13 . 1 1 70 70 ALA CA C 70 55.541 55.541 54.992 0.549 25062 9439 1 13 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.587 0.557 25062 9440 1 13 . 1 1 70 70 ALA H H 70 8.200 8.200 7.895 0.305 25062 9441 1 13 . 1 1 71 71 GLU N N 71 116.210 116.210 120.057 -3.847 25062 9442 1 13 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.259 -0.113 25062 9443 1 13 . 1 1 71 71 GLU C C 71 179.215 179.215 178.462 0.753 25062 9444 1 13 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.895 0.538 25062 9445 1 13 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.533 0.051 25062 9446 1 13 . 1 1 71 71 GLU H H 71 8.402 8.402 7.891 0.511 25062 9447 1 13 . 1 1 72 72 TYR N N 72 121.372 121.372 120.989 0.383 25062 9448 1 13 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.117 0.085 25062 9449 1 13 . 1 1 72 72 TYR C C 72 176.699 176.699 177.257 -0.558 25062 9450 1 13 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.560 -0.255 25062 9451 1 13 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.375 -0.136 25062 9452 1 13 . 1 1 72 72 TYR H H 72 8.031 8.031 7.989 0.042 25062 9453 1 13 . 1 1 73 73 ALA N N 73 119.994 119.994 120.129 -0.135 25062 9454 1 13 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.728 -0.117 25062 9455 1 13 . 1 1 73 73 ALA C C 73 178.786 178.786 179.427 -0.641 25062 9456 1 13 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.113 0.058 25062 9457 1 13 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.912 0.589 25062 9458 1 13 . 1 1 73 73 ALA H H 73 8.588 8.588 8.183 0.405 25062 9459 1 13 . 1 1 74 74 GLN N N 74 116.775 116.775 118.889 -2.114 25062 9460 1 13 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.182 0.125 25062 9461 1 13 . 1 1 74 74 GLN C C 74 180.672 180.672 179.046 1.626 25062 9462 1 13 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.800 0.376 25062 9463 1 13 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.825 0.372 25062 9464 1 13 . 1 1 74 74 GLN H H 74 8.382 8.382 8.104 0.278 25062 9465 1 13 . 1 1 75 75 LYS N N 75 122.969 122.969 117.769 5.200 25062 9466 1 13 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.102 -0.046 25062 9467 1 13 . 1 1 75 75 LYS C C 75 178.547 178.547 178.021 0.526 25062 9468 1 13 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.478 0.749 25062 9469 1 13 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.275 -0.512 25062 9470 1 13 . 1 1 75 75 LYS H H 75 8.248 8.248 7.685 0.563 25062 9471 1 13 . 1 1 76 76 GLU N N 76 117.058 117.058 115.494 1.564 25062 9472 1 13 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.298 -0.203 25062 9473 1 13 . 1 1 76 76 GLU C C 76 176.070 176.070 176.908 -0.838 25062 9474 1 13 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.613 0.245 25062 9475 1 13 . 1 1 76 76 GLU CB C 76 29.798 29.798 30.085 -0.287 25062 9476 1 13 . 1 1 76 76 GLU H H 76 7.522 7.522 7.458 0.063 25062 9477 1 13 . 1 1 77 77 GLY N N 77 106.537 106.537 107.947 -1.410 25062 9478 1 13 . 1 1 77 77 GLY C C 77 174.570 174.570 173.528 1.042 25062 9479 1 13 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.587 -0.108 25062 9480 1 13 . 1 1 77 77 GLY H H 77 7.797 7.797 7.737 0.060 25062 9481 1 13 . 1 1 78 78 LEU N N 78 121.257 121.257 119.311 1.946 25062 9482 1 13 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.770 -0.364 25062 9483 1 13 . 1 1 78 78 LEU C C 78 176.139 176.139 176.218 -0.079 25062 9484 1 13 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.278 1.026 25062 9485 1 13 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.188 -1.076 25062 9486 1 13 . 1 1 78 78 LEU H H 78 8.008 8.008 7.755 0.253 25062 9487 1 13 . 1 1 79 79 ARG N N 79 121.135 121.135 124.761 -3.626 25062 9488 1 13 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.272 0.132 25062 9489 1 13 . 1 1 79 79 ARG C C 79 174.598 174.598 174.895 -0.297 25062 9490 1 13 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.238 0.646 25062 9491 1 13 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.439 0.928 25062 9492 1 13 . 1 1 79 79 ARG H H 79 8.062 8.062 8.327 -0.265 25062 9493 1 13 . 1 1 80 80 VAL N N 80 123.517 123.517 127.319 -3.802 25062 9494 1 13 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.773 -0.008 25062 9495 1 13 . 1 1 80 80 VAL C C 80 175.373 175.373 175.584 -0.211 25062 9496 1 13 . 1 1 80 80 VAL CA C 80 61.637 61.637 62.325 -0.688 25062 9497 1 13 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.611 1.391 25062 9498 1 13 . 1 1 80 80 VAL H H 80 8.377 8.377 8.447 -0.070 25062 9499 1 13 . 1 1 81 81 ILE N N 81 129.083 129.083 128.171 0.912 25062 9500 1 13 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.907 -0.024 25062 9501 1 13 . 1 1 81 81 ILE C C 81 173.899 173.899 174.768 -0.869 25062 9502 1 13 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.793 -0.067 25062 9503 1 13 . 1 1 81 81 ILE CB C 81 41.082 41.082 41.860 -0.778 25062 9504 1 13 . 1 1 81 81 ILE H H 81 8.812 8.812 8.852 -0.040 25062 9505 1 13 . 1 1 82 82 VAL N N 82 126.531 126.531 126.984 -0.453 25062 9506 1 13 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.742 0.245 25062 9507 1 13 . 1 1 82 82 VAL C C 82 174.164 174.164 174.608 -0.444 25062 9508 1 13 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.518 -1.194 25062 9509 1 13 . 1 1 82 82 VAL CB C 82 34.417 34.417 33.936 0.481 25062 9510 1 13 . 1 1 82 82 VAL H H 82 9.085 9.085 8.534 0.551 25062 9511 1 13 . 1 1 83 83 ILE N N 83 127.143 127.143 128.637 -1.494 25062 9512 1 13 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.978 -0.074 25062 9513 1 13 . 1 1 83 83 ILE C C 83 174.044 174.044 175.501 -1.457 25062 9514 1 13 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.316 -0.300 25062 9515 1 13 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.162 0.654 25062 9516 1 13 . 1 1 83 83 ILE H H 83 9.391 9.391 8.701 0.690 25062 9517 1 13 . 1 1 84 84 ILE N N 84 126.750 126.750 129.593 -2.843 25062 9518 1 13 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.643 -0.197 25062 9519 1 13 . 1 1 84 84 ILE C C 84 174.788 174.788 176.024 -1.236 25062 9520 1 13 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.541 0.511 25062 9521 1 13 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.792 1.240 25062 9522 1 13 . 1 1 84 84 ILE H H 84 8.714 8.714 8.726 -0.012 25062 9523 1 13 . 1 1 85 85 VAL N N 85 127.160 127.160 130.326 -3.166 25062 9524 1 13 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.690 0.289 25062 9525 1 13 . 1 1 85 85 VAL C C 85 176.539 176.539 174.720 1.819 25062 9526 1 13 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.986 -1.924 25062 9527 1 13 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.817 0.057 25062 9528 1 13 . 1 1 85 85 VAL H H 85 8.464 8.464 8.803 -0.339 25062 9529 1 13 . 1 1 86 86 SER N N 86 121.723 121.723 120.621 1.102 25062 9530 1 13 . 1 1 86 86 SER HA H 86 4.490 4.490 4.953 -0.463 25062 9531 1 13 . 1 1 86 86 SER C C 86 172.447 172.447 174.527 -2.080 25062 9532 1 13 . 1 1 86 86 SER CA C 86 58.131 58.131 56.486 1.645 25062 9533 1 13 . 1 1 86 86 SER CB C 86 64.121 64.121 65.312 -1.191 25062 9534 1 13 . 1 1 86 86 SER H H 86 8.725 8.725 8.844 -0.119 25062 9535 1 13 . 1 1 87 87 GLN N N 87 121.657 121.657 124.352 -2.695 25062 9536 1 13 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.339 0.230 25062 9537 1 13 . 1 1 87 87 GLN C C 87 175.732 175.732 175.763 -0.031 25062 9538 1 13 . 1 1 87 87 GLN CA C 87 56.426 56.426 56.889 -0.463 25062 9539 1 13 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.868 0.251 25062 9540 1 13 . 1 1 87 87 GLN H H 87 8.516 8.516 8.766 -0.250 25062 9541 1 13 . 1 1 88 88 ASP N N 88 121.146 121.146 120.346 0.800 25062 9542 1 13 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.837 -0.137 25062 9543 1 13 . 1 1 88 88 ASP C C 88 175.752 175.752 176.302 -0.550 25062 9544 1 13 . 1 1 88 88 ASP CA C 88 53.079 53.079 52.790 0.289 25062 9545 1 13 . 1 1 88 88 ASP CB C 88 41.203 41.203 42.963 -1.760 25062 9546 1 13 . 1 1 88 88 ASP H H 88 8.459 8.459 7.527 0.932 25062 9547 1 13 . 1 1 89 89 GLU N N 89 125.736 125.736 125.990 -0.254 25062 9548 1 13 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.997 -0.063 25062 9549 1 13 . 1 1 89 89 GLU C C 89 178.820 178.820 178.065 0.755 25062 9550 1 13 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.559 -0.016 25062 9551 1 13 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.922 -0.295 25062 9552 1 13 . 1 1 89 89 GLU H H 89 8.840 8.840 8.872 -0.032 25062 9553 1 13 . 1 1 90 90 GLU N N 90 119.813 119.813 120.171 -0.358 25062 9554 1 13 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.115 0.121 25062 9555 1 13 . 1 1 90 90 GLU C C 90 178.385 178.385 178.405 -0.020 25062 9556 1 13 . 1 1 90 90 GLU CA C 90 58.807 58.807 58.946 -0.139 25062 9557 1 13 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.473 -0.296 25062 9558 1 13 . 1 1 90 90 GLU H H 90 8.300 8.300 7.910 0.390 25062 9559 1 13 . 1 1 91 91 ALA N N 91 123.211 123.211 122.418 0.793 25062 9560 1 13 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.160 -0.029 25062 9561 1 13 . 1 1 91 91 ALA C C 91 181.895 181.895 179.946 1.949 25062 9562 1 13 . 1 1 91 91 ALA CA C 91 54.700 54.700 55.049 -0.349 25062 9563 1 13 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.285 -0.404 25062 9564 1 13 . 1 1 91 91 ALA H H 91 7.670 7.670 7.961 -0.291 25062 9565 1 13 . 1 1 92 92 LEU N N 92 118.903 118.903 118.474 0.429 25062 9566 1 13 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.931 0.074 25062 9567 1 13 . 1 1 92 92 LEU C C 92 177.951 177.951 179.452 -1.501 25062 9568 1 13 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.857 0.093 25062 9569 1 13 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.581 0.601 25062 9570 1 13 . 1 1 92 92 LEU H H 92 8.190 8.190 7.542 0.648 25062 9571 1 13 . 1 1 93 93 ARG N N 93 118.916 118.916 119.129 -0.213 25062 9572 1 13 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.097 0.001 25062 9573 1 13 . 1 1 93 93 ARG C C 93 178.775 178.775 178.786 -0.011 25062 9574 1 13 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.686 -0.344 25062 9575 1 13 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.091 0.054 25062 9576 1 13 . 1 1 93 93 ARG H H 93 7.868 7.868 8.104 -0.236 25062 9577 1 13 . 1 1 94 94 LYS N N 94 118.989 118.989 119.743 -0.754 25062 9578 1 13 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.475 -0.418 25062 9579 1 13 . 1 1 94 94 LYS C C 94 179.270 179.270 179.331 -0.061 25062 9580 1 13 . 1 1 94 94 LYS CA C 94 59.235 59.235 58.871 0.364 25062 9581 1 13 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.147 0.287 25062 9582 1 13 . 1 1 94 94 LYS H H 94 8.236 8.236 7.952 0.284 25062 9583 1 13 . 1 1 95 95 GLY N N 95 107.084 107.084 106.660 0.424 25062 9584 1 13 . 1 1 95 95 GLY C C 95 175.285 175.285 176.042 -0.757 25062 9585 1 13 . 1 1 95 95 GLY CA C 95 47.045 47.045 47.111 -0.066 25062 9586 1 13 . 1 1 95 95 GLY H H 95 8.296 8.296 8.092 0.204 25062 9587 1 13 . 1 1 96 96 TYR N N 96 121.591 121.591 124.022 -2.431 25062 9588 1 13 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.141 -0.095 25062 9589 1 13 . 1 1 96 96 TYR C C 96 176.428 176.428 177.453 -1.025 25062 9590 1 13 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.345 0.099 25062 9591 1 13 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.616 -0.026 25062 9592 1 13 . 1 1 96 96 TYR H H 96 8.372 8.372 7.830 0.542 25062 9593 1 13 . 1 1 97 97 GLU N N 97 117.883 117.883 117.246 0.637 25062 9594 1 13 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.836 -0.005 25062 9595 1 13 . 1 1 97 97 GLU C C 97 178.775 178.775 179.048 -0.273 25062 9596 1 13 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.443 0.806 25062 9597 1 13 . 1 1 97 97 GLU CB C 97 29.542 29.542 28.655 0.887 25062 9598 1 13 . 1 1 97 97 GLU H H 97 8.205 8.205 8.034 0.171 25062 9599 1 13 . 1 1 98 98 ASP N N 98 117.644 117.644 121.418 -3.774 25062 9600 1 13 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.358 -0.013 25062 9601 1 13 . 1 1 98 98 ASP C C 98 177.978 177.978 177.719 0.259 25062 9602 1 13 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.046 0.067 25062 9603 1 13 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.005 0.986 25062 9604 1 13 . 1 1 98 98 ASP H H 98 8.139 8.139 8.048 0.091 25062 9605 1 13 . 1 1 99 99 LYS N N 99 116.691 116.691 117.417 -0.726 25062 9606 1 13 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.314 -0.290 25062 9607 1 13 . 1 1 99 99 LYS C C 99 178.061 178.061 178.554 -0.493 25062 9608 1 13 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.186 -0.180 25062 9609 1 13 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.688 -0.312 25062 9610 1 13 . 1 1 99 99 LYS H H 99 7.886 7.886 7.556 0.330 25062 9611 1 13 . 1 1 100 100 LYS N N 100 120.645 120.645 120.315 0.330 25062 9612 1 13 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.291 -0.217 25062 9613 1 13 . 1 1 100 100 LYS C C 100 180.486 180.486 179.033 1.453 25062 9614 1 13 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.715 -0.532 25062 9615 1 13 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.135 -0.769 25062 9616 1 13 . 1 1 100 100 LYS H H 100 8.395 8.395 7.774 0.621 25062 9617 1 13 . 1 1 101 101 LYS N N 101 119.297 119.297 117.895 1.402 25062 9618 1 13 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.092 -0.010 25062 9619 1 13 . 1 1 101 101 LYS C C 101 177.669 177.669 177.790 -0.121 25062 9620 1 13 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.475 -0.009 25062 9621 1 13 . 1 1 101 101 LYS CB C 101 32.245 32.245 31.961 0.284 25062 9622 1 13 . 1 1 101 101 LYS H H 101 7.713 7.713 7.867 -0.154 25062 9623 1 13 . 1 1 102 102 LYS N N 102 116.847 116.847 117.929 -1.082 25062 9624 1 13 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.178 -0.085 25062 9625 1 13 . 1 1 102 102 LYS C C 102 176.357 176.357 176.202 0.155 25062 9626 1 13 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.663 0.126 25062 9627 1 13 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.246 -0.243 25062 9628 1 13 . 1 1 102 102 LYS H H 102 7.124 7.124 7.236 -0.112 25062 9629 1 13 . 1 1 103 103 GLY N N 103 105.781 105.781 106.650 -0.869 25062 9630 1 13 . 1 1 103 103 GLY C C 103 174.378 174.378 174.751 -0.373 25062 9631 1 13 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.056 -0.002 25062 9632 1 13 . 1 1 103 103 GLY H H 103 7.771 7.771 7.483 0.288 25062 9633 1 13 . 1 1 104 104 TYR N N 104 119.257 119.257 119.383 -0.126 25062 9634 1 13 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.426 0.512 25062 9635 1 13 . 1 1 104 104 TYR C C 104 175.223 175.223 174.968 0.255 25062 9636 1 13 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.751 -1.300 25062 9637 1 13 . 1 1 104 104 TYR CB C 104 37.745 37.745 37.918 -0.173 25062 9638 1 13 . 1 1 104 104 TYR H H 104 6.914 6.914 7.082 -0.168 25062 9639 1 13 . 1 1 105 105 ASP N N 105 122.574 122.574 125.106 -2.532 25062 9640 1 13 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.549 0.232 25062 9641 1 13 . 1 1 105 105 ASP C C 105 174.818 174.818 174.740 0.078 25062 9642 1 13 . 1 1 105 105 ASP CA C 105 54.215 54.215 53.576 0.639 25062 9643 1 13 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.048 0.753 25062 9644 1 13 . 1 1 105 105 ASP H H 105 8.223 8.223 8.314 -0.091 25062 9645 1 13 . 1 1 106 106 VAL N N 106 121.990 121.990 124.921 -2.931 25062 9646 1 13 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.782 0.475 25062 9647 1 13 . 1 1 106 106 VAL C C 106 173.835 173.835 174.891 -1.056 25062 9648 1 13 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.536 -0.494 25062 9649 1 13 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.966 1.413 25062 9650 1 13 . 1 1 106 106 VAL H H 106 7.876 7.876 7.773 0.103 25062 9651 1 13 . 1 1 107 107 TYR N N 107 125.444 125.444 123.083 2.361 25062 9652 1 13 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.897 0.110 25062 9653 1 13 . 1 1 107 107 TYR C C 107 174.765 174.765 174.628 0.137 25062 9654 1 13 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.914 -0.849 25062 9655 1 13 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.082 -0.193 25062 9656 1 13 . 1 1 107 107 TYR H H 107 9.400 9.400 9.169 0.231 25062 9657 1 13 . 1 1 108 108 THR N N 108 111.100 111.100 114.577 -3.477 25062 9658 1 13 . 1 1 108 108 THR HA H 108 5.212 5.212 5.307 -0.095 25062 9659 1 13 . 1 1 108 108 THR C C 108 174.350 174.350 174.046 0.304 25062 9660 1 13 . 1 1 108 108 THR CA C 108 59.514 59.514 59.648 -0.134 25062 9661 1 13 . 1 1 108 108 THR CB C 108 70.911 70.911 71.143 -0.232 25062 9662 1 13 . 1 1 108 108 THR H H 108 8.801 8.801 8.398 0.403 25062 9663 1 13 . 1 1 109 109 SER N N 109 114.650 114.650 118.222 -3.572 25062 9664 1 13 . 1 1 109 109 SER HA H 109 4.901 4.901 4.916 -0.015 25062 9665 1 13 . 1 1 109 109 SER C C 109 172.399 172.399 173.982 -1.583 25062 9666 1 13 . 1 1 109 109 SER CA C 109 57.974 57.974 57.447 0.527 25062 9667 1 13 . 1 1 109 109 SER CB C 109 67.764 67.764 66.342 1.422 25062 9668 1 13 . 1 1 109 109 SER H H 109 8.565 8.565 8.441 0.124 25062 9669 1 13 . 1 1 110 110 ARG N N 110 119.807 119.807 122.342 -2.535 25062 9670 1 13 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.968 0.041 25062 9671 1 13 . 1 1 110 110 ARG C C 110 175.995 175.995 176.622 -0.627 25062 9672 1 13 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.124 -1.115 25062 9673 1 13 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.217 0.600 25062 9674 1 13 . 1 1 110 110 ARG H H 110 8.948 8.948 8.423 0.525 25062 9675 1 13 . 1 1 111 111 ASN N N 111 110.690 110.690 113.944 -3.254 25062 9676 1 13 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.820 -0.187 25062 9677 1 13 . 1 1 111 111 ASN C C 111 174.460 174.460 174.593 -0.133 25062 9678 1 13 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.628 -1.258 25062 9679 1 13 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.482 0.635 25062 9680 1 13 . 1 1 111 111 ASN H H 111 7.426 7.426 7.854 -0.428 25062 9681 1 13 . 1 1 112 112 GLU N N 112 119.451 119.451 119.020 0.431 25062 9682 1 13 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.951 -0.143 25062 9683 1 13 . 1 1 112 112 GLU C C 112 176.445 176.445 177.689 -1.244 25062 9684 1 13 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.030 0.163 25062 9685 1 13 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.531 1.075 25062 9686 1 13 . 1 1 112 112 GLU H H 112 9.529 9.529 8.781 0.748 25062 9687 1 13 . 1 1 113 113 ASP N N 113 120.739 120.739 119.501 1.238 25062 9688 1 13 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.339 0.030 25062 9689 1 13 . 1 1 113 113 ASP C C 113 179.043 179.043 178.857 0.186 25062 9690 1 13 . 1 1 113 113 ASP CA C 113 58.105 58.105 58.320 -0.215 25062 9691 1 13 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.460 0.487 25062 9692 1 13 . 1 1 113 113 ASP H H 113 8.256 8.256 8.392 -0.136 25062 9693 1 13 . 1 1 114 114 GLU N N 114 119.817 119.817 119.747 0.070 25062 9694 1 13 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.040 0.010 25062 9695 1 13 . 1 1 114 114 GLU C C 114 178.770 178.770 178.613 0.157 25062 9696 1 13 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.447 -0.207 25062 9697 1 13 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.102 1.554 25062 9698 1 13 . 1 1 114 114 GLU H H 114 8.577 8.577 7.963 0.614 25062 9699 1 13 . 1 1 115 115 ALA N N 115 121.470 121.470 122.141 -0.671 25062 9700 1 13 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.038 0.017 25062 9701 1 13 . 1 1 115 115 ALA C C 115 178.962 178.962 179.285 -0.323 25062 9702 1 13 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.293 -0.080 25062 9703 1 13 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.360 1.497 25062 9704 1 13 . 1 1 115 115 ALA H H 115 8.358 8.358 7.853 0.505 25062 9705 1 13 . 1 1 116 116 LYS N N 116 117.285 117.285 118.709 -1.424 25062 9706 1 13 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.054 -0.396 25062 9707 1 13 . 1 1 116 116 LYS C C 116 178.583 178.583 178.709 -0.126 25062 9708 1 13 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.495 1.422 25062 9709 1 13 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.390 0.421 25062 9710 1 13 . 1 1 116 116 LYS H H 116 8.350 8.350 8.137 0.213 25062 9711 1 13 . 1 1 117 117 LYS N N 117 118.433 118.433 119.894 -1.461 25062 9712 1 13 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.028 -0.042 25062 9713 1 13 . 1 1 117 117 LYS C C 117 179.380 179.380 178.976 0.404 25062 9714 1 13 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.081 0.524 25062 9715 1 13 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.057 0.325 25062 9716 1 13 . 1 1 117 117 LYS H H 117 7.345 7.345 7.860 -0.515 25062 9717 1 13 . 1 1 118 118 LYS N N 118 118.166 118.166 119.327 -1.161 25062 9718 1 13 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.840 0.099 25062 9719 1 13 . 1 1 118 118 LYS C C 118 178.088 178.088 179.064 -0.976 25062 9720 1 13 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.459 -0.903 25062 9721 1 13 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.873 -0.733 25062 9722 1 13 . 1 1 118 118 LYS H H 118 8.130 8.130 7.865 0.265 25062 9723 1 13 . 1 1 119 119 LEU N N 119 120.654 120.654 120.982 -0.328 25062 9724 1 13 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.976 -0.192 25062 9725 1 13 . 1 1 119 119 LEU C C 119 177.567 177.567 178.580 -1.013 25062 9726 1 13 . 1 1 119 119 LEU CA C 119 57.914 57.914 58.056 -0.142 25062 9727 1 13 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.969 0.205 25062 9728 1 13 . 1 1 119 119 LEU H H 119 8.592 8.592 8.181 0.411 25062 9729 1 13 . 1 1 120 120 LYS N N 120 118.314 118.314 118.408 -0.094 25062 9730 1 13 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.851 -0.306 25062 9731 1 13 . 1 1 120 120 LYS C C 120 178.624 178.624 179.130 -0.506 25062 9732 1 13 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.915 0.375 25062 9733 1 13 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.318 -0.554 25062 9734 1 13 . 1 1 120 120 LYS H H 120 7.753 7.753 8.047 -0.294 25062 9735 1 13 . 1 1 121 121 GLU N N 121 118.446 118.446 119.568 -1.122 25062 9736 1 13 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.288 -0.282 25062 9737 1 13 . 1 1 121 121 GLU C C 121 178.744 178.744 178.918 -0.174 25062 9738 1 13 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.308 0.231 25062 9739 1 13 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.273 0.090 25062 9740 1 13 . 1 1 121 121 GLU H H 121 7.777 7.777 8.079 -0.302 25062 9741 1 13 . 1 1 122 122 ALA N N 122 121.333 121.333 121.529 -0.196 25062 9742 1 13 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.165 -0.209 25062 9743 1 13 . 1 1 122 122 ALA C C 122 179.973 179.973 179.902 0.071 25062 9744 1 13 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.931 0.029 25062 9745 1 13 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.469 -0.041 25062 9746 1 13 . 1 1 122 122 ALA H H 122 8.229 8.229 7.814 0.415 25062 9747 1 13 . 1 1 123 123 LEU N N 123 118.790 118.790 119.301 -0.511 25062 9748 1 13 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.098 -0.318 25062 9749 1 13 . 1 1 123 123 LEU C C 123 179.703 179.703 179.229 0.474 25062 9750 1 13 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.334 0.555 25062 9751 1 13 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.733 -0.881 25062 9752 1 13 . 1 1 123 123 LEU H H 123 8.177 8.177 7.754 0.423 25062 9753 1 13 . 1 1 124 124 GLU N N 124 120.881 120.881 119.993 0.888 25062 9754 1 13 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.169 -0.025 25062 9755 1 13 . 1 1 124 124 GLU C C 124 179.732 179.732 179.505 0.227 25062 9756 1 13 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.780 -0.341 25062 9757 1 13 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.755 -0.235 25062 9758 1 13 . 1 1 124 124 GLU H H 124 8.393 8.393 8.371 0.022 25062 9759 1 13 . 1 1 125 125 LYS N N 125 119.526 119.526 116.911 2.615 25062 9760 1 13 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.475 -0.216 25062 9761 1 13 . 1 1 125 125 LYS C C 125 177.862 177.862 178.915 -1.053 25062 9762 1 13 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.477 0.468 25062 9763 1 13 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.191 0.166 25062 9764 1 13 . 1 1 125 125 LYS H H 125 8.290 8.290 8.190 0.100 25062 9765 1 13 . 1 1 126 126 SER N N 126 114.103 114.103 112.489 1.614 25062 9766 1 13 . 1 1 126 126 SER HA H 126 4.385 4.385 4.431 -0.046 25062 9767 1 13 . 1 1 126 126 SER C C 126 174.460 174.460 175.298 -0.838 25062 9768 1 13 . 1 1 126 126 SER CA C 126 59.611 59.611 59.732 -0.121 25062 9769 1 13 . 1 1 126 126 SER CB C 126 63.479 63.479 64.000 -0.521 25062 9770 1 13 . 1 1 126 126 SER H H 126 7.702 7.702 7.746 -0.044 25062 9771 1 13 . 1 1 127 127 GLY N N 127 108.584 108.584 109.557 -0.973 25062 9772 1 13 . 1 1 127 127 GLY C C 127 174.103 174.103 175.589 -1.486 25062 9773 1 13 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.204 0.233 25062 9774 1 13 . 1 1 127 127 GLY H H 127 7.933 7.933 7.564 0.369 25062 9775 1 13 . 1 1 128 128 SER N N 128 115.990 115.990 116.310 -0.320 25062 9776 1 13 . 1 1 128 128 SER HA H 128 4.590 4.590 4.351 0.239 25062 9777 1 13 . 1 1 128 128 SER C C 128 174.412 174.412 175.186 -0.774 25062 9778 1 13 . 1 1 128 128 SER CA C 128 57.986 57.986 60.827 -2.841 25062 9779 1 13 . 1 1 128 128 SER CB C 128 63.336 63.336 64.408 -1.072 25062 9780 1 13 . 1 1 128 128 SER H H 128 8.091 8.091 8.239 -0.148 25062 9781 1 13 . 1 1 129 129 LEU N N 129 125.492 125.492 121.864 3.628 25062 9782 1 13 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.599 -0.158 25062 9783 1 13 . 1 1 129 129 LEU C C 129 177.084 177.084 175.523 1.561 25062 9784 1 13 . 1 1 129 129 LEU CA C 129 54.876 54.876 53.352 1.524 25062 9785 1 13 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.362 -2.053 25062 9786 1 13 . 1 1 129 129 LEU H H 129 8.262 8.262 7.361 0.901 25062 9787 1 13 . 1 1 130 130 GLU N N 130 121.006 121.006 118.314 2.692 25062 9788 1 13 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.101 -0.126 25062 9789 1 13 . 1 1 130 130 GLU C C 130 176.435 176.435 175.779 0.656 25062 9790 1 13 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.252 0.560 25062 9791 1 13 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.346 -0.067 25062 9792 1 13 . 1 1 130 130 GLU H H 130 8.398 8.398 8.371 0.027 25062 9793 1 13 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.673 -0.082 25062 9794 1 13 . 1 1 131 131 HIS C C 131 174.179 174.179 174.747 -0.568 25062 9795 1 13 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.031 1.118 25062 9796 1 13 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.511 1.320 25062 9797 1 13 . 1 1 132 132 HIS N N 132 125.794 125.794 123.929 1.865 25062 9798 1 13 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.665 -0.249 25062 9799 1 13 . 1 1 132 132 HIS C C 132 179.523 179.523 174.826 4.697 25062 9800 1 13 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.797 1.720 25062 9801 1 13 . 1 1 132 132 HIS CB C 132 31.008 31.008 30.305 0.703 25062 9802 1 13 . 1 1 132 132 HIS H H 132 7.935 7.935 8.613 -0.678 25062 9803 1 14 . 1 1 2 2 GLY N N 2 109.342 109.342 109.248 0.094 25062 9804 1 14 . 1 1 2 2 GLY C C 2 172.736 172.736 171.502 1.234 25062 9805 1 14 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.640 0.016 25062 9806 1 14 . 1 1 2 2 GLY H H 2 8.632 8.632 8.430 0.202 25062 9807 1 14 . 1 1 3 3 VAL N N 3 123.457 123.457 118.982 4.475 25062 9808 1 14 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.639 0.342 25062 9809 1 14 . 1 1 3 3 VAL C C 3 173.780 173.780 174.494 -0.714 25062 9810 1 14 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.100 -0.750 25062 9811 1 14 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.472 0.641 25062 9812 1 14 . 1 1 3 3 VAL H H 3 7.516 7.516 8.308 -0.792 25062 9813 1 14 . 1 1 4 4 VAL N N 4 125.375 125.375 127.207 -1.832 25062 9814 1 14 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.872 -0.341 25062 9815 1 14 . 1 1 4 4 VAL C C 4 173.185 173.185 175.192 -2.007 25062 9816 1 14 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.170 0.331 25062 9817 1 14 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.660 1.135 25062 9818 1 14 . 1 1 4 4 VAL H H 4 8.810 8.810 8.572 0.238 25062 9819 1 14 . 1 1 5 5 ILE N N 5 127.180 127.180 129.069 -1.889 25062 9820 1 14 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.429 0.440 25062 9821 1 14 . 1 1 5 5 ILE C C 5 174.303 174.303 175.006 -0.703 25062 9822 1 14 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.192 -0.782 25062 9823 1 14 . 1 1 5 5 ILE CB C 5 38.643 38.643 37.898 0.745 25062 9824 1 14 . 1 1 5 5 ILE H H 5 8.800 8.800 8.870 -0.070 25062 9825 1 14 . 1 1 6 6 LEU N N 6 129.025 129.025 129.735 -0.710 25062 9826 1 14 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.964 0.049 25062 9827 1 14 . 1 1 6 6 LEU C C 6 174.847 174.847 176.381 -1.534 25062 9828 1 14 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.712 -0.244 25062 9829 1 14 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.110 2.183 25062 9830 1 14 . 1 1 6 6 LEU H H 6 9.424 9.424 8.841 0.583 25062 9831 1 14 . 1 1 7 7 VAL N N 7 123.364 123.364 126.745 -3.381 25062 9832 1 14 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.409 0.248 25062 9833 1 14 . 1 1 7 7 VAL C C 7 174.210 174.210 175.393 -1.183 25062 9834 1 14 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.855 -1.028 25062 9835 1 14 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.917 0.336 25062 9836 1 14 . 1 1 7 7 VAL H H 7 8.653 8.653 8.402 0.251 25062 9837 1 14 . 1 1 8 8 LEU N N 8 130.560 130.560 131.691 -1.131 25062 9838 1 14 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.055 0.241 25062 9839 1 14 . 1 1 8 8 LEU C C 8 175.744 175.744 176.783 -1.039 25062 9840 1 14 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.050 -0.164 25062 9841 1 14 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.730 0.766 25062 9842 1 14 . 1 1 8 8 LEU H H 8 9.069 9.069 8.424 0.645 25062 9843 1 14 . 1 1 9 9 THR N N 9 112.810 112.810 115.194 -2.384 25062 9844 1 14 . 1 1 9 9 THR HA H 9 4.959 4.959 5.043 -0.084 25062 9845 1 14 . 1 1 9 9 THR C C 9 174.213 174.213 175.902 -1.689 25062 9846 1 14 . 1 1 9 9 THR CA C 9 59.948 59.948 59.651 0.297 25062 9847 1 14 . 1 1 9 9 THR CB C 9 70.756 70.756 70.824 -0.068 25062 9848 1 14 . 1 1 9 9 THR H H 9 8.028 8.028 8.669 -0.641 25062 9849 1 14 . 1 1 10 10 GLY N N 10 107.740 107.740 110.470 -2.730 25062 9850 1 14 . 1 1 10 10 GLY C C 10 173.064 173.064 173.286 -0.222 25062 9851 1 14 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.373 0.057 25062 9852 1 14 . 1 1 10 10 GLY H H 10 7.827 7.827 8.904 -1.077 25062 9853 1 14 . 1 1 11 11 ASP N N 11 119.119 119.119 117.937 1.182 25062 9854 1 14 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.637 0.216 25062 9855 1 14 . 1 1 11 11 ASP C C 11 176.118 176.118 175.191 0.927 25062 9856 1 14 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.023 -0.051 25062 9857 1 14 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.508 -0.267 25062 9858 1 14 . 1 1 11 11 ASP H H 11 7.642 7.642 7.346 0.296 25062 9859 1 14 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.048 0.052 25062 9860 1 14 . 1 1 12 12 GLU C C 12 178.508 178.508 177.933 0.575 25062 9861 1 14 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.916 -0.452 25062 9862 1 14 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.866 -0.533 25062 9863 1 14 . 1 1 13 13 ARG N N 13 121.589 121.589 119.101 2.488 25062 9864 1 14 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.049 0.088 25062 9865 1 14 . 1 1 13 13 ARG C C 13 179.625 179.625 178.454 1.171 25062 9866 1 14 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.918 0.500 25062 9867 1 14 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.900 -0.545 25062 9868 1 14 . 1 1 13 13 ARG H H 13 8.593 8.593 7.613 0.980 25062 9869 1 14 . 1 1 14 14 ILE N N 14 119.911 119.911 118.980 0.931 25062 9870 1 14 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.686 -0.036 25062 9871 1 14 . 1 1 14 14 ILE C C 14 177.727 177.727 177.563 0.164 25062 9872 1 14 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.869 0.289 25062 9873 1 14 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.625 -0.286 25062 9874 1 14 . 1 1 14 14 ILE H H 14 7.823 7.823 7.965 -0.142 25062 9875 1 14 . 1 1 15 15 ALA N N 15 121.015 121.015 121.223 -0.208 25062 9876 1 14 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.792 -0.073 25062 9877 1 14 . 1 1 15 15 ALA C C 15 178.994 178.994 179.082 -0.088 25062 9878 1 14 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.286 0.604 25062 9879 1 14 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.785 0.066 25062 9880 1 14 . 1 1 15 15 ALA H H 15 7.610 7.610 7.699 -0.089 25062 9881 1 14 . 1 1 16 16 GLU N N 16 117.655 117.655 118.035 -0.380 25062 9882 1 14 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.877 0.257 25062 9883 1 14 . 1 1 16 16 GLU C C 16 178.517 178.517 178.744 -0.227 25062 9884 1 14 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.529 -0.250 25062 9885 1 14 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.156 0.066 25062 9886 1 14 . 1 1 16 16 GLU H H 16 7.808 7.808 7.504 0.304 25062 9887 1 14 . 1 1 17 17 GLU N N 17 119.648 119.648 118.758 0.890 25062 9888 1 14 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.111 -0.057 25062 9889 1 14 . 1 1 17 17 GLU C C 17 180.213 180.213 179.028 1.185 25062 9890 1 14 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.498 0.736 25062 9891 1 14 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.449 -0.297 25062 9892 1 14 . 1 1 17 17 GLU H H 17 8.002 8.002 8.072 -0.070 25062 9893 1 14 . 1 1 18 18 LEU N N 18 119.118 119.118 118.845 0.273 25062 9894 1 14 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.229 -0.129 25062 9895 1 14 . 1 1 18 18 LEU C C 18 178.233 178.233 178.531 -0.298 25062 9896 1 14 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.127 0.680 25062 9897 1 14 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.833 -0.962 25062 9898 1 14 . 1 1 18 18 LEU H H 18 8.554 8.554 8.142 0.412 25062 9899 1 14 . 1 1 19 19 ARG N N 19 122.158 122.158 120.165 1.993 25062 9900 1 14 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.152 -0.337 25062 9901 1 14 . 1 1 19 19 ARG C C 19 178.686 178.686 178.368 0.318 25062 9902 1 14 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.871 1.044 25062 9903 1 14 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.860 -0.521 25062 9904 1 14 . 1 1 19 19 ARG H H 19 8.274 8.274 7.564 0.710 25062 9905 1 14 . 1 1 20 20 LYS N N 20 118.130 118.130 117.329 0.801 25062 9906 1 14 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.323 -0.388 25062 9907 1 14 . 1 1 20 20 LYS C C 20 179.078 179.078 178.880 0.198 25062 9908 1 14 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.010 0.743 25062 9909 1 14 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.848 0.592 25062 9910 1 14 . 1 1 20 20 LYS H H 20 7.977 7.977 7.689 0.288 25062 9911 1 14 . 1 1 21 21 GLU N N 21 120.451 120.451 119.520 0.931 25062 9912 1 14 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.168 -0.113 25062 9913 1 14 . 1 1 21 21 GLU C C 21 178.995 178.995 179.062 -0.067 25062 9914 1 14 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.691 0.412 25062 9915 1 14 . 1 1 21 21 GLU CB C 21 29.163 29.163 28.945 0.218 25062 9916 1 14 . 1 1 21 21 GLU H H 21 7.813 7.813 7.947 -0.134 25062 9917 1 14 . 1 1 22 22 VAL N N 22 119.654 119.654 120.007 -0.353 25062 9918 1 14 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.665 -0.225 25062 9919 1 14 . 1 1 22 22 VAL C C 22 176.428 176.428 178.166 -1.738 25062 9920 1 14 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.609 0.512 25062 9921 1 14 . 1 1 22 22 VAL CB C 22 31.452 31.452 30.891 0.561 25062 9922 1 14 . 1 1 22 22 VAL H H 22 8.146 8.146 7.940 0.206 25062 9923 1 14 . 1 1 23 23 GLN N N 23 116.884 116.884 117.074 -0.190 25062 9924 1 14 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.361 -0.409 25062 9925 1 14 . 1 1 23 23 GLN C C 23 177.429 177.429 177.516 -0.087 25062 9926 1 14 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.039 0.727 25062 9927 1 14 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.642 -0.091 25062 9928 1 14 . 1 1 23 23 GLN H H 23 7.588 7.588 7.514 0.074 25062 9929 1 14 . 1 1 24 24 LYS N N 24 116.529 116.529 116.675 -0.146 25062 9930 1 14 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.229 -0.233 25062 9931 1 14 . 1 1 24 24 LYS C C 24 177.508 177.508 178.573 -1.065 25062 9932 1 14 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.493 0.921 25062 9933 1 14 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.361 0.556 25062 9934 1 14 . 1 1 24 24 LYS H H 24 7.544 7.544 7.836 -0.292 25062 9935 1 14 . 1 1 25 25 HIS N N 25 119.657 119.657 118.472 1.185 25062 9936 1 14 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.589 -0.336 25062 9937 1 14 . 1 1 25 25 HIS C C 25 175.915 175.915 175.267 0.648 25062 9938 1 14 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.889 0.553 25062 9939 1 14 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.302 0.568 25062 9940 1 14 . 1 1 25 25 HIS H H 25 7.809 7.809 7.853 -0.044 25062 9941 1 14 . 1 1 26 26 ASP N N 26 113.221 113.221 115.973 -2.752 25062 9942 1 14 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.001 -0.266 25062 9943 1 14 . 1 1 26 26 ASP C C 26 173.856 173.856 174.409 -0.553 25062 9944 1 14 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.411 -0.741 25062 9945 1 14 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.434 -1.068 25062 9946 1 14 . 1 1 26 26 ASP H H 26 8.358 8.358 8.354 0.004 25062 9947 1 14 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.635 -0.069 25062 9948 1 14 . 1 1 27 27 PRO C C 27 176.845 176.845 176.545 0.300 25062 9949 1 14 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.621 0.256 25062 9950 1 14 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.105 0.180 25062 9951 1 14 . 1 1 28 28 ASN N N 28 115.529 115.529 116.691 -1.162 25062 9952 1 14 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.736 -0.064 25062 9953 1 14 . 1 1 28 28 ASN C C 28 175.632 175.632 175.516 0.116 25062 9954 1 14 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.626 0.189 25062 9955 1 14 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.551 -0.457 25062 9956 1 14 . 1 1 28 28 ASN H H 28 8.570 8.570 8.056 0.514 25062 9957 1 14 . 1 1 29 29 VAL N N 29 121.867 121.867 120.965 0.902 25062 9958 1 14 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.829 0.055 25062 9959 1 14 . 1 1 29 29 VAL C C 29 175.085 175.085 175.817 -0.732 25062 9960 1 14 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.579 -0.404 25062 9961 1 14 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.593 0.405 25062 9962 1 14 . 1 1 29 29 VAL H H 29 7.465 7.465 7.595 -0.130 25062 9963 1 14 . 1 1 30 30 LYS N N 30 130.242 130.242 128.043 2.199 25062 9964 1 14 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.559 -0.125 25062 9965 1 14 . 1 1 30 30 LYS C C 30 175.093 175.093 175.759 -0.666 25062 9966 1 14 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.056 0.317 25062 9967 1 14 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.392 -0.965 25062 9968 1 14 . 1 1 30 30 LYS H H 30 9.036 9.036 8.073 0.963 25062 9969 1 14 . 1 1 31 31 THR N N 31 113.173 113.173 114.528 -1.355 25062 9970 1 14 . 1 1 31 31 THR HA H 31 5.688 5.688 5.421 0.267 25062 9971 1 14 . 1 1 31 31 THR C C 31 174.708 174.708 173.712 0.996 25062 9972 1 14 . 1 1 31 31 THR CA C 31 58.537 58.537 60.315 -1.778 25062 9973 1 14 . 1 1 31 31 THR CB C 31 71.419 71.419 71.165 0.254 25062 9974 1 14 . 1 1 31 31 THR H H 31 8.185 8.185 8.349 -0.164 25062 9975 1 14 . 1 1 32 32 VAL N N 32 122.168 122.168 124.942 -2.774 25062 9976 1 14 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.665 0.230 25062 9977 1 14 . 1 1 32 32 VAL C C 32 173.388 173.388 174.046 -0.658 25062 9978 1 14 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.474 0.259 25062 9979 1 14 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.011 -0.107 25062 9980 1 14 . 1 1 32 32 VAL H H 32 8.968 8.968 8.462 0.506 25062 9981 1 14 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.869 0.105 25062 9982 1 14 . 1 1 33 33 PRO C C 33 177.848 177.848 178.384 -0.536 25062 9983 1 14 . 1 1 33 33 PRO CA C 33 62.342 62.342 61.830 0.512 25062 9984 1 14 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.789 0.231 25062 9985 1 14 . 1 1 34 34 THR N N 34 114.266 114.266 111.934 2.332 25062 9986 1 14 . 1 1 34 34 THR HA H 34 4.118 4.118 4.029 0.089 25062 9987 1 14 . 1 1 34 34 THR C C 34 176.879 176.879 176.414 0.465 25062 9988 1 14 . 1 1 34 34 THR CA C 34 64.607 64.607 66.070 -1.463 25062 9989 1 14 . 1 1 34 34 THR CB C 34 68.311 68.311 68.916 -0.605 25062 9990 1 14 . 1 1 34 34 THR H H 34 9.033 9.033 8.582 0.451 25062 9991 1 14 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.154 0.091 25062 9992 1 14 . 1 1 35 35 LYS C C 35 176.639 176.639 177.431 -0.792 25062 9993 1 14 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.507 -0.373 25062 9994 1 14 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.990 0.313 25062 9995 1 14 . 1 1 36 36 ASP N N 36 120.993 120.993 120.854 0.139 25062 9996 1 14 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.785 0.230 25062 9997 1 14 . 1 1 36 36 ASP C C 36 176.202 176.202 176.201 0.001 25062 9998 1 14 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.144 -0.708 25062 9999 1 14 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.637 0.473 25062 10000 1 14 . 1 1 36 36 ASP H H 36 7.726 7.726 7.736 -0.010 25062 10001 1 14 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.908 0.080 25062 10002 1 14 . 1 1 37 37 LYS C C 37 177.948 177.948 178.098 -0.150 25062 10003 1 14 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.558 -0.250 25062 10004 1 14 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.431 0.416 25062 10005 1 14 . 1 1 38 38 GLU N N 38 119.141 119.141 118.384 0.757 25062 10006 1 14 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.045 0.205 25062 10007 1 14 . 1 1 38 38 GLU C C 38 178.054 178.054 178.864 -0.810 25062 10008 1 14 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.093 -0.591 25062 10009 1 14 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.207 0.000 25062 10010 1 14 . 1 1 38 38 GLU H H 38 8.883 8.883 8.533 0.350 25062 10011 1 14 . 1 1 39 39 LYS N N 39 118.440 118.440 118.098 0.342 25062 10012 1 14 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.339 0.168 25062 10013 1 14 . 1 1 39 39 LYS C C 39 177.126 177.126 178.713 -1.587 25062 10014 1 14 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.228 -1.921 25062 10015 1 14 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.881 0.543 25062 10016 1 14 . 1 1 39 39 LYS H H 39 8.064 8.064 8.016 0.048 25062 10017 1 14 . 1 1 40 40 VAL N N 40 118.130 118.130 120.660 -2.530 25062 10018 1 14 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.621 -0.226 25062 10019 1 14 . 1 1 40 40 VAL C C 40 176.934 176.934 177.597 -0.663 25062 10020 1 14 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.879 0.742 25062 10021 1 14 . 1 1 40 40 VAL CB C 40 31.655 31.655 30.732 0.923 25062 10022 1 14 . 1 1 40 40 VAL H H 40 7.308 7.308 7.974 -0.666 25062 10023 1 14 . 1 1 41 41 LYS N N 41 118.555 118.555 119.418 -0.863 25062 10024 1 14 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.616 0.027 25062 10025 1 14 . 1 1 41 41 LYS C C 41 178.363 178.363 178.794 -0.431 25062 10026 1 14 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.447 1.840 25062 10027 1 14 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.668 -0.213 25062 10028 1 14 . 1 1 41 41 LYS H H 41 8.150 8.150 8.166 -0.016 25062 10029 1 14 . 1 1 42 42 GLU N N 42 119.454 119.454 118.282 1.172 25062 10030 1 14 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.050 0.048 25062 10031 1 14 . 1 1 42 42 GLU C C 42 179.552 179.552 179.165 0.387 25062 10032 1 14 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.540 -0.284 25062 10033 1 14 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.477 0.117 25062 10034 1 14 . 1 1 42 42 GLU H H 42 8.067 8.067 7.925 0.142 25062 10035 1 14 . 1 1 43 43 GLU N N 43 118.427 118.427 119.147 -0.720 25062 10036 1 14 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.173 0.122 25062 10037 1 14 . 1 1 43 43 GLU C C 43 180.076 180.076 179.374 0.702 25062 10038 1 14 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.698 -0.243 25062 10039 1 14 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.348 -0.703 25062 10040 1 14 . 1 1 43 43 GLU H H 43 8.189 8.189 8.166 0.023 25062 10041 1 14 . 1 1 44 44 ILE N N 44 122.905 122.905 120.937 1.968 25062 10042 1 14 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.695 -0.060 25062 10043 1 14 . 1 1 44 44 ILE C C 44 176.828 176.828 177.797 -0.969 25062 10044 1 14 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.859 0.538 25062 10045 1 14 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.999 -0.460 25062 10046 1 14 . 1 1 44 44 ILE H H 44 8.734 8.734 8.518 0.216 25062 10047 1 14 . 1 1 45 45 GLU N N 45 120.098 120.098 120.928 -0.830 25062 10048 1 14 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.001 0.138 25062 10049 1 14 . 1 1 45 45 GLU C C 45 178.930 178.930 178.846 0.084 25062 10050 1 14 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.803 -0.314 25062 10051 1 14 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.506 -0.358 25062 10052 1 14 . 1 1 45 45 GLU H H 45 8.099 8.099 8.217 -0.118 25062 10053 1 14 . 1 1 46 46 LYS N N 46 118.360 118.360 119.033 -0.673 25062 10054 1 14 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.092 -0.083 25062 10055 1 14 . 1 1 46 46 LYS C C 46 178.775 178.775 178.875 -0.100 25062 10056 1 14 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.080 0.822 25062 10057 1 14 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.351 0.351 25062 10058 1 14 . 1 1 46 46 LYS H H 46 7.854 7.854 7.929 -0.075 25062 10059 1 14 . 1 1 47 47 ALA N N 47 122.551 122.551 122.677 -0.126 25062 10060 1 14 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.033 0.095 25062 10061 1 14 . 1 1 47 47 ALA C C 47 180.095 180.095 179.597 0.498 25062 10062 1 14 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.158 0.245 25062 10063 1 14 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.402 -0.697 25062 10064 1 14 . 1 1 47 47 ALA H H 47 8.135 8.135 8.008 0.127 25062 10065 1 14 . 1 1 48 48 ARG N N 48 118.945 118.945 117.670 1.275 25062 10066 1 14 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.076 -0.019 25062 10067 1 14 . 1 1 48 48 ARG C C 48 179.960 179.960 178.858 1.102 25062 10068 1 14 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.886 0.400 25062 10069 1 14 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.180 -0.728 25062 10070 1 14 . 1 1 48 48 ARG H H 48 8.655 8.655 8.038 0.617 25062 10071 1 14 . 1 1 49 49 LYS N N 49 119.557 119.557 118.957 0.600 25062 10072 1 14 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.130 -0.073 25062 10073 1 14 . 1 1 49 49 LYS C C 49 178.288 178.288 178.477 -0.189 25062 10074 1 14 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.526 0.445 25062 10075 1 14 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.339 0.314 25062 10076 1 14 . 1 1 49 49 LYS H H 49 8.058 8.058 7.497 0.561 25062 10077 1 14 . 1 1 50 50 GLN N N 50 115.215 115.215 115.184 0.031 25062 10078 1 14 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.469 -0.092 25062 10079 1 14 . 1 1 50 50 GLN C C 50 176.439 176.439 176.479 -0.040 25062 10080 1 14 . 1 1 50 50 GLN CA C 50 55.973 55.973 54.714 1.259 25062 10081 1 14 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.216 0.592 25062 10082 1 14 . 1 1 50 50 GLN H H 50 7.938 7.938 7.731 0.207 25062 10083 1 14 . 1 1 51 51 GLY N N 51 109.413 109.413 109.012 0.401 25062 10084 1 14 . 1 1 51 51 GLY C C 51 174.570 174.570 173.871 0.699 25062 10085 1 14 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.865 0.730 25062 10086 1 14 . 1 1 51 51 GLY H H 51 8.070 8.070 7.758 0.312 25062 10087 1 14 . 1 1 52 52 ARG N N 52 119.414 119.414 119.191 0.223 25062 10088 1 14 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.950 -0.048 25062 10089 1 14 . 1 1 52 52 ARG C C 52 173.093 173.093 174.007 -0.914 25062 10090 1 14 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.356 0.621 25062 10091 1 14 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.677 0.733 25062 10092 1 14 . 1 1 52 52 ARG H H 52 7.950 7.950 7.962 -0.012 25062 10093 1 14 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.821 0.253 25062 10094 1 14 . 1 1 53 53 PRO C C 53 174.179 174.179 175.797 -1.618 25062 10095 1 14 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.166 -0.189 25062 10096 1 14 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.441 -0.907 25062 10097 1 14 . 1 1 54 54 ILE N N 54 115.161 115.161 117.263 -2.102 25062 10098 1 14 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.753 0.205 25062 10099 1 14 . 1 1 54 54 ILE C C 54 172.097 172.097 173.459 -1.362 25062 10100 1 14 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.502 -1.729 25062 10101 1 14 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.662 0.073 25062 10102 1 14 . 1 1 54 54 ILE H H 54 7.718 7.718 8.153 -0.435 25062 10103 1 14 . 1 1 55 55 VAL N N 55 126.019 126.019 129.123 -3.104 25062 10104 1 14 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.540 0.340 25062 10105 1 14 . 1 1 55 55 VAL C C 55 173.844 173.844 174.752 -0.908 25062 10106 1 14 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.835 -0.542 25062 10107 1 14 . 1 1 55 55 VAL CB C 55 33.268 33.268 32.306 0.962 25062 10108 1 14 . 1 1 55 55 VAL H H 55 8.352 8.352 8.770 -0.418 25062 10109 1 14 . 1 1 56 56 VAL N N 56 127.584 127.584 127.793 -0.209 25062 10110 1 14 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.266 0.175 25062 10111 1 14 . 1 1 56 56 VAL C C 56 173.968 173.968 175.218 -1.250 25062 10112 1 14 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.223 -0.680 25062 10113 1 14 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.493 1.887 25062 10114 1 14 . 1 1 56 56 VAL H H 56 9.291 9.291 8.393 0.898 25062 10115 1 14 . 1 1 57 57 PHE N N 57 125.432 125.432 128.593 -3.161 25062 10116 1 14 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.808 0.122 25062 10117 1 14 . 1 1 57 57 PHE C C 57 174.987 174.987 175.335 -0.348 25062 10118 1 14 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.658 0.550 25062 10119 1 14 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.819 1.067 25062 10120 1 14 . 1 1 57 57 PHE H H 57 8.585 8.585 8.649 -0.064 25062 10121 1 14 . 1 1 58 58 VAL N N 58 123.763 123.763 123.030 0.733 25062 10122 1 14 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.257 -0.055 25062 10123 1 14 . 1 1 58 58 VAL C C 58 174.791 174.791 175.076 -0.285 25062 10124 1 14 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.559 0.322 25062 10125 1 14 . 1 1 58 58 VAL CB C 58 34.712 34.712 33.794 0.918 25062 10126 1 14 . 1 1 58 58 VAL H H 58 9.008 9.008 8.317 0.691 25062 10127 1 14 . 1 1 59 59 ARG N N 59 127.924 127.924 125.507 2.417 25062 10128 1 14 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.760 -0.178 25062 10129 1 14 . 1 1 59 59 ARG C C 59 177.755 177.755 176.901 0.854 25062 10130 1 14 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.162 1.376 25062 10131 1 14 . 1 1 59 59 ARG CB C 59 30.513 30.513 32.264 -1.751 25062 10132 1 14 . 1 1 59 59 ARG H H 59 8.820 8.820 8.241 0.579 25062 10133 1 14 . 1 1 60 60 GLY N N 60 110.441 110.441 110.907 -0.466 25062 10134 1 14 . 1 1 60 60 GLY C C 60 174.818 174.818 174.315 0.503 25062 10135 1 14 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.896 1.092 25062 10136 1 14 . 1 1 60 60 GLY H H 60 8.200 8.200 8.378 -0.178 25062 10137 1 14 . 1 1 61 61 GLY N N 61 109.411 109.411 114.786 -5.375 25062 10138 1 14 . 1 1 61 61 GLY C C 61 174.550 174.550 174.645 -0.095 25062 10139 1 14 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.096 0.335 25062 10140 1 14 . 1 1 61 61 GLY H H 61 7.995 7.995 7.900 0.095 25062 10141 1 14 . 1 1 62 62 ASP N N 62 122.920 122.920 121.947 0.973 25062 10142 1 14 . 1 1 62 62 ASP HA H 62 5.021 5.021 5.020 0.001 25062 10143 1 14 . 1 1 62 62 ASP C C 62 176.247 176.247 175.835 0.412 25062 10144 1 14 . 1 1 62 62 ASP CA C 62 52.527 52.527 52.458 0.069 25062 10145 1 14 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.546 -0.731 25062 10146 1 14 . 1 1 62 62 ASP H H 62 8.090 8.090 8.270 -0.180 25062 10147 1 14 . 1 1 63 63 ASP N N 63 121.058 121.058 120.293 0.765 25062 10148 1 14 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.404 -0.138 25062 10149 1 14 . 1 1 63 63 ASP C C 63 178.418 178.418 177.835 0.583 25062 10150 1 14 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.408 -0.067 25062 10151 1 14 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.653 0.919 25062 10152 1 14 . 1 1 63 63 ASP H H 63 8.023 8.023 8.576 -0.553 25062 10153 1 14 . 1 1 64 64 GLU N N 64 119.564 119.564 119.529 0.035 25062 10154 1 14 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.957 0.094 25062 10155 1 14 . 1 1 64 64 GLU C C 64 178.321 178.321 178.417 -0.096 25062 10156 1 14 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.281 0.101 25062 10157 1 14 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.660 -0.616 25062 10158 1 14 . 1 1 64 64 GLU H H 64 8.760 8.760 8.729 0.031 25062 10159 1 14 . 1 1 65 65 ARG N N 65 119.839 119.839 119.029 0.810 25062 10160 1 14 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.122 0.074 25062 10161 1 14 . 1 1 65 65 ARG C C 65 178.305 178.305 178.417 -0.112 25062 10162 1 14 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.762 0.290 25062 10163 1 14 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.165 0.472 25062 10164 1 14 . 1 1 65 65 ARG H H 65 7.643 7.643 7.369 0.274 25062 10165 1 14 . 1 1 66 66 ALA N N 66 118.984 118.984 121.561 -2.577 25062 10166 1 14 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.056 -0.190 25062 10167 1 14 . 1 1 66 66 ALA C C 66 178.638 178.638 179.280 -0.642 25062 10168 1 14 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.113 0.353 25062 10169 1 14 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.192 0.169 25062 10170 1 14 . 1 1 66 66 ALA H H 66 7.782 7.782 8.188 -0.406 25062 10171 1 14 . 1 1 67 67 LYS N N 67 117.711 117.711 117.492 0.219 25062 10172 1 14 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.024 -0.005 25062 10173 1 14 . 1 1 67 67 LYS C C 67 178.363 178.363 178.356 0.007 25062 10174 1 14 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.687 -0.113 25062 10175 1 14 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.039 0.185 25062 10176 1 14 . 1 1 67 67 LYS H H 67 8.010 8.010 8.188 -0.178 25062 10177 1 14 . 1 1 68 68 ASP N N 68 119.581 119.581 120.617 -1.036 25062 10178 1 14 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.513 -0.099 25062 10179 1 14 . 1 1 68 68 ASP C C 68 179.235 179.235 178.787 0.448 25062 10180 1 14 . 1 1 68 68 ASP CA C 68 57.494 57.494 58.409 -0.915 25062 10181 1 14 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.663 0.724 25062 10182 1 14 . 1 1 68 68 ASP H H 68 7.999 7.999 7.601 0.398 25062 10183 1 14 . 1 1 69 69 ILE N N 69 119.307 119.307 120.618 -1.311 25062 10184 1 14 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.627 -0.034 25062 10185 1 14 . 1 1 69 69 ILE C C 69 176.927 176.927 177.773 -0.846 25062 10186 1 14 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.618 -0.393 25062 10187 1 14 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.859 0.004 25062 10188 1 14 . 1 1 69 69 ILE H H 69 8.283 8.283 7.928 0.355 25062 10189 1 14 . 1 1 70 70 ALA N N 70 121.395 121.395 121.664 -0.269 25062 10190 1 14 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.755 -0.023 25062 10191 1 14 . 1 1 70 70 ALA C C 70 178.770 178.770 179.209 -0.439 25062 10192 1 14 . 1 1 70 70 ALA CA C 70 55.541 55.541 54.919 0.622 25062 10193 1 14 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.449 0.695 25062 10194 1 14 . 1 1 70 70 ALA H H 70 8.200 8.200 7.961 0.239 25062 10195 1 14 . 1 1 71 71 GLU N N 71 116.210 116.210 119.531 -3.321 25062 10196 1 14 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.176 -0.030 25062 10197 1 14 . 1 1 71 71 GLU C C 71 179.215 179.215 178.472 0.743 25062 10198 1 14 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.150 0.283 25062 10199 1 14 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.895 -0.311 25062 10200 1 14 . 1 1 71 71 GLU H H 71 8.402 8.402 8.085 0.317 25062 10201 1 14 . 1 1 72 72 TYR N N 72 121.372 121.372 121.345 0.027 25062 10202 1 14 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.117 0.085 25062 10203 1 14 . 1 1 72 72 TYR C C 72 176.699 176.699 177.275 -0.576 25062 10204 1 14 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.342 -0.035 25062 10205 1 14 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.295 -0.056 25062 10206 1 14 . 1 1 72 72 TYR H H 72 8.031 8.031 8.039 -0.008 25062 10207 1 14 . 1 1 73 73 ALA N N 73 119.994 119.994 119.277 0.717 25062 10208 1 14 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.707 -0.096 25062 10209 1 14 . 1 1 73 73 ALA C C 73 178.786 178.786 179.492 -0.706 25062 10210 1 14 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.014 0.157 25062 10211 1 14 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.868 0.633 25062 10212 1 14 . 1 1 73 73 ALA H H 73 8.588 8.588 8.186 0.402 25062 10213 1 14 . 1 1 74 74 GLN N N 74 116.775 116.775 118.739 -1.964 25062 10214 1 14 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.119 0.188 25062 10215 1 14 . 1 1 74 74 GLN C C 74 180.672 180.672 179.122 1.550 25062 10216 1 14 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.625 0.551 25062 10217 1 14 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.689 0.509 25062 10218 1 14 . 1 1 74 74 GLN H H 74 8.382 8.382 7.920 0.462 25062 10219 1 14 . 1 1 75 75 LYS N N 75 122.969 122.969 118.303 4.666 25062 10220 1 14 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.087 -0.031 25062 10221 1 14 . 1 1 75 75 LYS C C 75 178.547 178.547 178.252 0.295 25062 10222 1 14 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.570 0.657 25062 10223 1 14 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.393 -0.630 25062 10224 1 14 . 1 1 75 75 LYS H H 75 8.248 8.248 7.794 0.454 25062 10225 1 14 . 1 1 76 76 GLU N N 76 117.058 117.058 115.421 1.637 25062 10226 1 14 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.259 -0.164 25062 10227 1 14 . 1 1 76 76 GLU C C 76 176.070 176.070 176.738 -0.668 25062 10228 1 14 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.318 0.540 25062 10229 1 14 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.561 0.238 25062 10230 1 14 . 1 1 76 76 GLU H H 76 7.522 7.522 7.636 -0.114 25062 10231 1 14 . 1 1 77 77 GLY N N 77 106.537 106.537 108.046 -1.509 25062 10232 1 14 . 1 1 77 77 GLY C C 77 174.570 174.570 173.241 1.329 25062 10233 1 14 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.952 -0.473 25062 10234 1 14 . 1 1 77 77 GLY H H 77 7.797 7.797 7.615 0.182 25062 10235 1 14 . 1 1 78 78 LEU N N 78 121.257 121.257 118.110 3.147 25062 10236 1 14 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.665 -0.259 25062 10237 1 14 . 1 1 78 78 LEU C C 78 176.139 176.139 176.496 -0.357 25062 10238 1 14 . 1 1 78 78 LEU CA C 78 54.304 54.304 52.952 1.352 25062 10239 1 14 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.533 -1.421 25062 10240 1 14 . 1 1 78 78 LEU H H 78 8.008 8.008 7.670 0.338 25062 10241 1 14 . 1 1 79 79 ARG N N 79 121.135 121.135 122.685 -1.550 25062 10242 1 14 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.244 0.160 25062 10243 1 14 . 1 1 79 79 ARG C C 79 174.598 174.598 175.822 -1.224 25062 10244 1 14 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.863 0.021 25062 10245 1 14 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.833 1.534 25062 10246 1 14 . 1 1 79 79 ARG H H 79 8.062 8.062 8.338 -0.276 25062 10247 1 14 . 1 1 80 80 VAL N N 80 123.517 123.517 126.506 -2.989 25062 10248 1 14 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.512 0.253 25062 10249 1 14 . 1 1 80 80 VAL C C 80 175.373 175.373 174.972 0.401 25062 10250 1 14 . 1 1 80 80 VAL CA C 80 61.637 61.637 62.048 -0.411 25062 10251 1 14 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.608 1.395 25062 10252 1 14 . 1 1 80 80 VAL H H 80 8.377 8.377 8.534 -0.157 25062 10253 1 14 . 1 1 81 81 ILE N N 81 129.083 129.083 128.799 0.284 25062 10254 1 14 . 1 1 81 81 ILE HA H 81 4.883 4.883 5.033 -0.150 25062 10255 1 14 . 1 1 81 81 ILE C C 81 173.899 173.899 175.133 -1.234 25062 10256 1 14 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.135 0.591 25062 10257 1 14 . 1 1 81 81 ILE CB C 81 41.082 41.082 41.331 -0.249 25062 10258 1 14 . 1 1 81 81 ILE H H 81 8.812 8.812 8.731 0.081 25062 10259 1 14 . 1 1 82 82 VAL N N 82 126.531 126.531 126.112 0.419 25062 10260 1 14 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.833 0.154 25062 10261 1 14 . 1 1 82 82 VAL C C 82 174.164 174.164 174.793 -0.629 25062 10262 1 14 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.248 -0.924 25062 10263 1 14 . 1 1 82 82 VAL CB C 82 34.417 34.417 34.033 0.384 25062 10264 1 14 . 1 1 82 82 VAL H H 82 9.085 9.085 8.379 0.706 25062 10265 1 14 . 1 1 83 83 ILE N N 83 127.143 127.143 128.894 -1.751 25062 10266 1 14 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.956 -0.052 25062 10267 1 14 . 1 1 83 83 ILE C C 83 174.044 174.044 175.956 -1.912 25062 10268 1 14 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.063 -0.047 25062 10269 1 14 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.102 0.714 25062 10270 1 14 . 1 1 83 83 ILE H H 83 9.391 9.391 8.532 0.859 25062 10271 1 14 . 1 1 84 84 ILE N N 84 126.750 126.750 128.856 -2.106 25062 10272 1 14 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.679 -0.234 25062 10273 1 14 . 1 1 84 84 ILE C C 84 174.788 174.788 175.919 -1.131 25062 10274 1 14 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.870 0.182 25062 10275 1 14 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.769 1.263 25062 10276 1 14 . 1 1 84 84 ILE H H 84 8.714 8.714 8.738 -0.024 25062 10277 1 14 . 1 1 85 85 VAL N N 85 127.160 127.160 128.909 -1.749 25062 10278 1 14 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.697 0.282 25062 10279 1 14 . 1 1 85 85 VAL C C 85 176.539 176.539 174.604 1.935 25062 10280 1 14 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.404 -1.342 25062 10281 1 14 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.463 -0.589 25062 10282 1 14 . 1 1 85 85 VAL H H 85 8.464 8.464 8.869 -0.405 25062 10283 1 14 . 1 1 86 86 SER N N 86 121.723 121.723 121.482 0.241 25062 10284 1 14 . 1 1 86 86 SER HA H 86 4.490 4.490 4.921 -0.431 25062 10285 1 14 . 1 1 86 86 SER C C 86 172.447 172.447 174.198 -1.751 25062 10286 1 14 . 1 1 86 86 SER CA C 86 58.131 58.131 56.927 1.204 25062 10287 1 14 . 1 1 86 86 SER CB C 86 64.121 64.121 65.678 -1.557 25062 10288 1 14 . 1 1 86 86 SER H H 86 8.725 8.725 8.891 -0.166 25062 10289 1 14 . 1 1 87 87 GLN N N 87 121.657 121.657 124.982 -3.325 25062 10290 1 14 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.117 0.452 25062 10291 1 14 . 1 1 87 87 GLN C C 87 175.732 175.732 176.079 -0.347 25062 10292 1 14 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.696 -1.270 25062 10293 1 14 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.809 0.310 25062 10294 1 14 . 1 1 87 87 GLN H H 87 8.516 8.516 8.865 -0.349 25062 10295 1 14 . 1 1 88 88 ASP N N 88 121.146 121.146 121.236 -0.090 25062 10296 1 14 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.541 0.159 25062 10297 1 14 . 1 1 88 88 ASP C C 88 175.752 175.752 176.395 -0.643 25062 10298 1 14 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.899 -0.820 25062 10299 1 14 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.309 -0.106 25062 10300 1 14 . 1 1 88 88 ASP H H 88 8.459 8.459 7.638 0.821 25062 10301 1 14 . 1 1 89 89 GLU N N 89 125.736 125.736 126.562 -0.826 25062 10302 1 14 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.997 -0.063 25062 10303 1 14 . 1 1 89 89 GLU C C 89 178.820 178.820 177.780 1.040 25062 10304 1 14 . 1 1 89 89 GLU CA C 89 59.544 59.544 58.907 0.637 25062 10305 1 14 . 1 1 89 89 GLU CB C 89 29.627 29.627 30.071 -0.444 25062 10306 1 14 . 1 1 89 89 GLU H H 89 8.840 8.840 8.563 0.277 25062 10307 1 14 . 1 1 90 90 GLU N N 90 119.813 119.813 120.391 -0.578 25062 10308 1 14 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.108 0.128 25062 10309 1 14 . 1 1 90 90 GLU C C 90 178.385 178.385 178.551 -0.166 25062 10310 1 14 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.402 -0.595 25062 10311 1 14 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.164 0.013 25062 10312 1 14 . 1 1 90 90 GLU H H 90 8.300 8.300 8.360 -0.060 25062 10313 1 14 . 1 1 91 91 ALA N N 91 123.211 123.211 121.941 1.270 25062 10314 1 14 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.158 -0.027 25062 10315 1 14 . 1 1 91 91 ALA C C 91 181.895 181.895 179.930 1.965 25062 10316 1 14 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.869 -0.169 25062 10317 1 14 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.302 -0.421 25062 10318 1 14 . 1 1 91 91 ALA H H 91 7.670 7.670 8.172 -0.502 25062 10319 1 14 . 1 1 92 92 LEU N N 92 118.903 118.903 119.398 -0.495 25062 10320 1 14 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.956 0.049 25062 10321 1 14 . 1 1 92 92 LEU C C 92 177.951 177.951 179.089 -1.138 25062 10322 1 14 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.920 0.030 25062 10323 1 14 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.684 0.499 25062 10324 1 14 . 1 1 92 92 LEU H H 92 8.190 8.190 7.540 0.650 25062 10325 1 14 . 1 1 93 93 ARG N N 93 118.916 118.916 118.671 0.245 25062 10326 1 14 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.155 -0.057 25062 10327 1 14 . 1 1 93 93 ARG C C 93 178.775 178.775 178.658 0.117 25062 10328 1 14 . 1 1 93 93 ARG CA C 93 59.342 59.342 58.566 0.776 25062 10329 1 14 . 1 1 93 93 ARG CB C 93 30.145 30.145 29.762 0.383 25062 10330 1 14 . 1 1 93 93 ARG H H 93 7.868 7.868 8.195 -0.327 25062 10331 1 14 . 1 1 94 94 LYS N N 94 118.989 118.989 119.082 -0.093 25062 10332 1 14 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.153 -0.096 25062 10333 1 14 . 1 1 94 94 LYS C C 94 179.270 179.270 179.287 -0.017 25062 10334 1 14 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.335 -0.100 25062 10335 1 14 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.264 0.170 25062 10336 1 14 . 1 1 94 94 LYS H H 94 8.236 8.236 7.990 0.246 25062 10337 1 14 . 1 1 95 95 GLY N N 95 107.084 107.084 107.515 -0.431 25062 10338 1 14 . 1 1 95 95 GLY C C 95 175.285 175.285 175.618 -0.333 25062 10339 1 14 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.820 0.225 25062 10340 1 14 . 1 1 95 95 GLY H H 95 8.296 8.296 7.895 0.401 25062 10341 1 14 . 1 1 96 96 TYR N N 96 121.591 121.591 123.488 -1.897 25062 10342 1 14 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.093 -0.047 25062 10343 1 14 . 1 1 96 96 TYR C C 96 176.428 176.428 177.489 -1.061 25062 10344 1 14 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.851 0.593 25062 10345 1 14 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.453 0.137 25062 10346 1 14 . 1 1 96 96 TYR H H 96 8.372 8.372 8.128 0.244 25062 10347 1 14 . 1 1 97 97 GLU N N 97 117.883 117.883 116.350 1.533 25062 10348 1 14 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.776 0.055 25062 10349 1 14 . 1 1 97 97 GLU C C 97 178.775 178.775 179.005 -0.230 25062 10350 1 14 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.946 0.303 25062 10351 1 14 . 1 1 97 97 GLU CB C 97 29.542 29.542 28.957 0.584 25062 10352 1 14 . 1 1 97 97 GLU H H 97 8.205 8.205 7.937 0.268 25062 10353 1 14 . 1 1 98 98 ASP N N 98 117.644 117.644 121.031 -3.387 25062 10354 1 14 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.396 -0.051 25062 10355 1 14 . 1 1 98 98 ASP C C 98 177.978 177.978 178.488 -0.510 25062 10356 1 14 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.361 -0.248 25062 10357 1 14 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.019 0.972 25062 10358 1 14 . 1 1 98 98 ASP H H 98 8.139 8.139 7.700 0.439 25062 10359 1 14 . 1 1 99 99 LYS N N 99 116.691 116.691 118.832 -2.141 25062 10360 1 14 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.225 -0.201 25062 10361 1 14 . 1 1 99 99 LYS C C 99 178.061 178.061 178.789 -0.728 25062 10362 1 14 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.703 -0.697 25062 10363 1 14 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.531 -0.155 25062 10364 1 14 . 1 1 99 99 LYS H H 99 7.886 7.886 7.805 0.081 25062 10365 1 14 . 1 1 100 100 LYS N N 100 120.645 120.645 120.655 -0.010 25062 10366 1 14 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.299 -0.225 25062 10367 1 14 . 1 1 100 100 LYS C C 100 180.486 180.486 178.996 1.490 25062 10368 1 14 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.997 -0.814 25062 10369 1 14 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.213 -0.847 25062 10370 1 14 . 1 1 100 100 LYS H H 100 8.395 8.395 7.653 0.742 25062 10371 1 14 . 1 1 101 101 LYS N N 101 119.297 119.297 117.196 2.101 25062 10372 1 14 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.115 -0.033 25062 10373 1 14 . 1 1 101 101 LYS C C 101 177.669 177.669 177.624 0.045 25062 10374 1 14 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.369 0.097 25062 10375 1 14 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.019 0.226 25062 10376 1 14 . 1 1 101 101 LYS H H 101 7.713 7.713 7.709 0.004 25062 10377 1 14 . 1 1 102 102 LYS N N 102 116.847 116.847 118.252 -1.405 25062 10378 1 14 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.192 -0.099 25062 10379 1 14 . 1 1 102 102 LYS C C 102 176.357 176.357 175.568 0.789 25062 10380 1 14 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.112 0.677 25062 10381 1 14 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.046 -0.043 25062 10382 1 14 . 1 1 102 102 LYS H H 102 7.124 7.124 7.176 -0.052 25062 10383 1 14 . 1 1 103 103 GLY N N 103 105.781 105.781 106.317 -0.536 25062 10384 1 14 . 1 1 103 103 GLY C C 103 174.378 174.378 174.444 -0.066 25062 10385 1 14 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.102 -0.048 25062 10386 1 14 . 1 1 103 103 GLY H H 103 7.771 7.771 7.479 0.292 25062 10387 1 14 . 1 1 104 104 TYR N N 104 119.257 119.257 118.317 0.940 25062 10388 1 14 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.696 0.242 25062 10389 1 14 . 1 1 104 104 TYR C C 104 175.223 175.223 174.666 0.557 25062 10390 1 14 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.024 -0.573 25062 10391 1 14 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.073 -1.328 25062 10392 1 14 . 1 1 104 104 TYR H H 104 6.914 6.914 7.316 -0.402 25062 10393 1 14 . 1 1 105 105 ASP N N 105 122.574 122.574 124.646 -2.072 25062 10394 1 14 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.631 0.150 25062 10395 1 14 . 1 1 105 105 ASP C C 105 174.818 174.818 175.043 -0.225 25062 10396 1 14 . 1 1 105 105 ASP CA C 105 54.215 54.215 53.926 0.289 25062 10397 1 14 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.290 0.511 25062 10398 1 14 . 1 1 105 105 ASP H H 105 8.223 8.223 8.656 -0.433 25062 10399 1 14 . 1 1 106 106 VAL N N 106 121.990 121.990 125.410 -3.420 25062 10400 1 14 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.588 0.669 25062 10401 1 14 . 1 1 106 106 VAL C C 106 173.835 173.835 174.891 -1.056 25062 10402 1 14 . 1 1 106 106 VAL CA C 106 60.042 60.042 60.776 -0.734 25062 10403 1 14 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.717 1.662 25062 10404 1 14 . 1 1 106 106 VAL H H 106 7.876 7.876 7.893 -0.017 25062 10405 1 14 . 1 1 107 107 TYR N N 107 125.444 125.444 124.839 0.605 25062 10406 1 14 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.893 0.114 25062 10407 1 14 . 1 1 107 107 TYR C C 107 174.765 174.765 174.529 0.236 25062 10408 1 14 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.370 -0.305 25062 10409 1 14 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.221 -0.332 25062 10410 1 14 . 1 1 107 107 TYR H H 107 9.400 9.400 8.999 0.401 25062 10411 1 14 . 1 1 108 108 THR N N 108 111.100 111.100 111.598 -0.498 25062 10412 1 14 . 1 1 108 108 THR HA H 108 5.212 5.212 5.474 -0.262 25062 10413 1 14 . 1 1 108 108 THR C C 108 174.350 174.350 173.708 0.642 25062 10414 1 14 . 1 1 108 108 THR CA C 108 59.514 59.514 59.860 -0.346 25062 10415 1 14 . 1 1 108 108 THR CB C 108 70.911 70.911 71.845 -0.934 25062 10416 1 14 . 1 1 108 108 THR H H 108 8.801 8.801 8.354 0.447 25062 10417 1 14 . 1 1 109 109 SER N N 109 114.650 114.650 115.947 -1.297 25062 10418 1 14 . 1 1 109 109 SER HA H 109 4.901 4.901 4.971 -0.070 25062 10419 1 14 . 1 1 109 109 SER C C 109 172.399 172.399 174.013 -1.614 25062 10420 1 14 . 1 1 109 109 SER CA C 109 57.974 57.974 57.727 0.247 25062 10421 1 14 . 1 1 109 109 SER CB C 109 67.764 67.764 66.433 1.331 25062 10422 1 14 . 1 1 109 109 SER H H 109 8.565 8.565 8.556 0.009 25062 10423 1 14 . 1 1 110 110 ARG N N 110 119.807 119.807 121.455 -1.648 25062 10424 1 14 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.964 0.045 25062 10425 1 14 . 1 1 110 110 ARG C C 110 175.995 175.995 176.570 -0.575 25062 10426 1 14 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.663 -0.654 25062 10427 1 14 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.416 0.401 25062 10428 1 14 . 1 1 110 110 ARG H H 110 8.948 8.948 8.858 0.090 25062 10429 1 14 . 1 1 111 111 ASN N N 111 110.690 110.690 114.753 -4.063 25062 10430 1 14 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.911 -0.278 25062 10431 1 14 . 1 1 111 111 ASN C C 111 174.460 174.460 174.968 -0.508 25062 10432 1 14 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.189 -0.819 25062 10433 1 14 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.306 -0.189 25062 10434 1 14 . 1 1 111 111 ASN H H 111 7.426 7.426 7.531 -0.105 25062 10435 1 14 . 1 1 112 112 GLU N N 112 119.451 119.451 119.256 0.195 25062 10436 1 14 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.976 -0.168 25062 10437 1 14 . 1 1 112 112 GLU C C 112 176.445 176.445 177.619 -1.174 25062 10438 1 14 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.845 0.348 25062 10439 1 14 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.680 0.926 25062 10440 1 14 . 1 1 112 112 GLU H H 112 9.529 9.529 8.742 0.787 25062 10441 1 14 . 1 1 113 113 ASP N N 113 120.739 120.739 119.123 1.616 25062 10442 1 14 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.390 -0.021 25062 10443 1 14 . 1 1 113 113 ASP C C 113 179.043 179.043 178.499 0.544 25062 10444 1 14 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.551 0.554 25062 10445 1 14 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.638 0.309 25062 10446 1 14 . 1 1 113 113 ASP H H 113 8.256 8.256 8.144 0.112 25062 10447 1 14 . 1 1 114 114 GLU N N 114 119.817 119.817 120.497 -0.680 25062 10448 1 14 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.056 -0.006 25062 10449 1 14 . 1 1 114 114 GLU C C 114 178.770 178.770 178.418 0.352 25062 10450 1 14 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.157 0.083 25062 10451 1 14 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.645 1.011 25062 10452 1 14 . 1 1 114 114 GLU H H 114 8.577 8.577 8.058 0.519 25062 10453 1 14 . 1 1 115 115 ALA N N 115 121.470 121.470 121.656 -0.186 25062 10454 1 14 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.047 0.008 25062 10455 1 14 . 1 1 115 115 ALA C C 115 178.962 178.962 179.326 -0.364 25062 10456 1 14 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.188 0.025 25062 10457 1 14 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.342 1.515 25062 10458 1 14 . 1 1 115 115 ALA H H 115 8.358 8.358 7.718 0.640 25062 10459 1 14 . 1 1 116 116 LYS N N 116 117.285 117.285 118.762 -1.477 25062 10460 1 14 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.016 -0.357 25062 10461 1 14 . 1 1 116 116 LYS C C 116 178.583 178.583 178.790 -0.207 25062 10462 1 14 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.553 1.363 25062 10463 1 14 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.334 0.477 25062 10464 1 14 . 1 1 116 116 LYS H H 116 8.350 8.350 8.067 0.283 25062 10465 1 14 . 1 1 117 117 LYS N N 117 118.433 118.433 119.032 -0.599 25062 10466 1 14 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.945 0.041 25062 10467 1 14 . 1 1 117 117 LYS C C 117 179.380 179.380 178.830 0.550 25062 10468 1 14 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.738 -0.133 25062 10469 1 14 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.299 0.083 25062 10470 1 14 . 1 1 117 117 LYS H H 117 7.345 7.345 7.767 -0.422 25062 10471 1 14 . 1 1 118 118 LYS N N 118 118.166 118.166 118.957 -0.791 25062 10472 1 14 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.969 -0.030 25062 10473 1 14 . 1 1 118 118 LYS C C 118 178.088 178.088 179.131 -1.043 25062 10474 1 14 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.280 -0.724 25062 10475 1 14 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.718 -0.578 25062 10476 1 14 . 1 1 118 118 LYS H H 118 8.130 8.130 7.542 0.588 25062 10477 1 14 . 1 1 119 119 LEU N N 119 120.654 120.654 120.824 -0.170 25062 10478 1 14 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.998 -0.214 25062 10479 1 14 . 1 1 119 119 LEU C C 119 177.567 177.567 178.203 -0.636 25062 10480 1 14 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.809 0.104 25062 10481 1 14 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.809 0.365 25062 10482 1 14 . 1 1 119 119 LEU H H 119 8.592 8.592 7.902 0.690 25062 10483 1 14 . 1 1 120 120 LYS N N 120 118.314 118.314 118.494 -0.180 25062 10484 1 14 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.601 -0.056 25062 10485 1 14 . 1 1 120 120 LYS C C 120 178.624 178.624 178.955 -0.331 25062 10486 1 14 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.671 0.619 25062 10487 1 14 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.131 -0.367 25062 10488 1 14 . 1 1 120 120 LYS H H 120 7.753 7.753 7.879 -0.126 25062 10489 1 14 . 1 1 121 121 GLU N N 121 118.446 118.446 119.680 -1.234 25062 10490 1 14 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.126 -0.120 25062 10491 1 14 . 1 1 121 121 GLU C C 121 178.744 178.744 179.001 -0.257 25062 10492 1 14 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.269 0.270 25062 10493 1 14 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.369 -0.006 25062 10494 1 14 . 1 1 121 121 GLU H H 121 7.777 7.777 8.189 -0.412 25062 10495 1 14 . 1 1 122 122 ALA N N 122 121.333 121.333 121.456 -0.123 25062 10496 1 14 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.123 -0.167 25062 10497 1 14 . 1 1 122 122 ALA C C 122 179.973 179.973 179.246 0.727 25062 10498 1 14 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.745 0.215 25062 10499 1 14 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.662 -0.234 25062 10500 1 14 . 1 1 122 122 ALA H H 122 8.229 8.229 7.443 0.786 25062 10501 1 14 . 1 1 123 123 LEU N N 123 118.790 118.790 118.120 0.670 25062 10502 1 14 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.014 -0.234 25062 10503 1 14 . 1 1 123 123 LEU C C 123 179.703 179.703 179.951 -0.248 25062 10504 1 14 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.045 0.844 25062 10505 1 14 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.488 -0.636 25062 10506 1 14 . 1 1 123 123 LEU H H 123 8.177 8.177 7.704 0.473 25062 10507 1 14 . 1 1 124 124 GLU N N 124 120.881 120.881 119.042 1.839 25062 10508 1 14 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.450 -0.306 25062 10509 1 14 . 1 1 124 124 GLU C C 124 179.732 179.732 177.727 2.005 25062 10510 1 14 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.736 0.703 25062 10511 1 14 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.701 -0.181 25062 10512 1 14 . 1 1 124 124 GLU H H 124 8.393 8.393 7.851 0.542 25062 10513 1 14 . 1 1 125 125 LYS N N 125 119.526 119.526 116.211 3.315 25062 10514 1 14 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.311 -0.052 25062 10515 1 14 . 1 1 125 125 LYS C C 125 177.862 177.862 176.266 1.596 25062 10516 1 14 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.001 0.945 25062 10517 1 14 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.138 0.219 25062 10518 1 14 . 1 1 125 125 LYS H H 125 8.290 8.290 7.827 0.463 25062 10519 1 14 . 1 1 126 126 SER N N 126 114.103 114.103 113.973 0.130 25062 10520 1 14 . 1 1 126 126 SER HA H 126 4.385 4.385 4.591 -0.206 25062 10521 1 14 . 1 1 126 126 SER C C 126 174.460 174.460 175.599 -1.139 25062 10522 1 14 . 1 1 126 126 SER CA C 126 59.611 59.611 56.972 2.639 25062 10523 1 14 . 1 1 126 126 SER CB C 126 63.479 63.479 64.944 -1.465 25062 10524 1 14 . 1 1 126 126 SER H H 126 7.702 7.702 7.195 0.507 25062 10525 1 14 . 1 1 127 127 GLY N N 127 108.584 108.584 108.901 -0.317 25062 10526 1 14 . 1 1 127 127 GLY C C 127 174.103 174.103 173.575 0.528 25062 10527 1 14 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.056 0.382 25062 10528 1 14 . 1 1 127 127 GLY H H 127 7.933 7.933 8.729 -0.796 25062 10529 1 14 . 1 1 128 128 SER N N 128 115.990 115.990 117.269 -1.279 25062 10530 1 14 . 1 1 128 128 SER HA H 128 4.590 4.590 4.893 -0.303 25062 10531 1 14 . 1 1 128 128 SER C C 128 174.412 174.412 173.264 1.148 25062 10532 1 14 . 1 1 128 128 SER CA C 128 57.986 57.986 58.043 -0.057 25062 10533 1 14 . 1 1 128 128 SER CB C 128 63.336 63.336 64.794 -1.458 25062 10534 1 14 . 1 1 128 128 SER H H 128 8.091 8.091 7.938 0.153 25062 10535 1 14 . 1 1 129 129 LEU N N 129 125.492 125.492 123.730 1.762 25062 10536 1 14 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.522 -0.081 25062 10537 1 14 . 1 1 129 129 LEU C C 129 177.084 177.084 175.400 1.684 25062 10538 1 14 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.391 0.485 25062 10539 1 14 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.493 -1.184 25062 10540 1 14 . 1 1 129 129 LEU H H 129 8.262 8.262 8.224 0.038 25062 10541 1 14 . 1 1 130 130 GLU N N 130 121.006 121.006 124.052 -3.046 25062 10542 1 14 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.286 -0.311 25062 10543 1 14 . 1 1 130 130 GLU C C 130 176.435 176.435 175.305 1.130 25062 10544 1 14 . 1 1 130 130 GLU CA C 130 56.812 56.812 54.539 2.273 25062 10545 1 14 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.860 -0.581 25062 10546 1 14 . 1 1 130 130 GLU H H 130 8.398 8.398 8.030 0.368 25062 10547 1 14 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.380 0.211 25062 10548 1 14 . 1 1 131 131 HIS C C 131 174.179 174.179 174.456 -0.277 25062 10549 1 14 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.200 0.948 25062 10550 1 14 . 1 1 131 131 HIS CB C 131 30.831 30.831 28.698 2.133 25062 10551 1 14 . 1 1 132 132 HIS N N 132 125.794 125.794 126.503 -0.709 25062 10552 1 14 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.469 -0.053 25062 10553 1 14 . 1 1 132 132 HIS C C 132 179.523 179.523 175.367 4.156 25062 10554 1 14 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.326 2.190 25062 10555 1 14 . 1 1 132 132 HIS CB C 132 31.008 31.008 28.911 2.097 25062 10556 1 14 . 1 1 132 132 HIS H H 132 7.935 7.935 7.710 0.225 25062 10557 1 15 . 1 1 2 2 GLY N N 2 109.342 109.342 110.986 -1.644 25062 10558 1 15 . 1 1 2 2 GLY C C 2 172.736 172.736 171.643 1.093 25062 10559 1 15 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.765 0.891 25062 10560 1 15 . 1 1 2 2 GLY H H 2 8.632 8.632 8.310 0.322 25062 10561 1 15 . 1 1 3 3 VAL N N 3 123.457 123.457 119.992 3.465 25062 10562 1 15 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.960 0.021 25062 10563 1 15 . 1 1 3 3 VAL C C 3 173.780 173.780 174.924 -1.144 25062 10564 1 15 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.269 -0.919 25062 10565 1 15 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.095 0.018 25062 10566 1 15 . 1 1 3 3 VAL H H 3 7.516 7.516 8.179 -0.663 25062 10567 1 15 . 1 1 4 4 VAL N N 4 125.375 125.375 126.367 -0.992 25062 10568 1 15 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.748 -0.217 25062 10569 1 15 . 1 1 4 4 VAL C C 4 173.185 173.185 175.247 -2.062 25062 10570 1 15 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.154 -0.653 25062 10571 1 15 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.241 0.554 25062 10572 1 15 . 1 1 4 4 VAL H H 4 8.810 8.810 8.743 0.067 25062 10573 1 15 . 1 1 5 5 ILE N N 5 127.180 127.180 128.783 -1.603 25062 10574 1 15 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.739 0.130 25062 10575 1 15 . 1 1 5 5 ILE C C 5 174.303 174.303 175.242 -0.939 25062 10576 1 15 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.281 -0.871 25062 10577 1 15 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.342 0.301 25062 10578 1 15 . 1 1 5 5 ILE H H 5 8.800 8.800 8.605 0.195 25062 10579 1 15 . 1 1 6 6 LEU N N 6 129.025 129.025 129.811 -0.786 25062 10580 1 15 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.931 0.082 25062 10581 1 15 . 1 1 6 6 LEU C C 6 174.847 174.847 176.442 -1.595 25062 10582 1 15 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.587 -0.119 25062 10583 1 15 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.989 2.304 25062 10584 1 15 . 1 1 6 6 LEU H H 6 9.424 9.424 8.871 0.553 25062 10585 1 15 . 1 1 7 7 VAL N N 7 123.364 123.364 126.385 -3.021 25062 10586 1 15 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.470 0.187 25062 10587 1 15 . 1 1 7 7 VAL C C 7 174.210 174.210 175.396 -1.186 25062 10588 1 15 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.825 0.002 25062 10589 1 15 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.178 1.075 25062 10590 1 15 . 1 1 7 7 VAL H H 7 8.653 8.653 8.403 0.250 25062 10591 1 15 . 1 1 8 8 LEU N N 8 130.560 130.560 130.752 -0.192 25062 10592 1 15 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.789 0.507 25062 10593 1 15 . 1 1 8 8 LEU C C 8 175.744 175.744 176.720 -0.976 25062 10594 1 15 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.292 -0.406 25062 10595 1 15 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.468 1.028 25062 10596 1 15 . 1 1 8 8 LEU H H 8 9.069 9.069 8.566 0.503 25062 10597 1 15 . 1 1 9 9 THR N N 9 112.810 112.810 114.086 -1.276 25062 10598 1 15 . 1 1 9 9 THR HA H 9 4.959 4.959 5.230 -0.271 25062 10599 1 15 . 1 1 9 9 THR C C 9 174.213 174.213 176.066 -1.853 25062 10600 1 15 . 1 1 9 9 THR CA C 9 59.948 59.948 59.488 0.460 25062 10601 1 15 . 1 1 9 9 THR CB C 9 70.756 70.756 71.062 -0.306 25062 10602 1 15 . 1 1 9 9 THR H H 9 8.028 8.028 8.677 -0.649 25062 10603 1 15 . 1 1 10 10 GLY N N 10 107.740 107.740 111.107 -3.367 25062 10604 1 15 . 1 1 10 10 GLY C C 10 173.064 173.064 173.429 -0.365 25062 10605 1 15 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.425 0.005 25062 10606 1 15 . 1 1 10 10 GLY H H 10 7.827 7.827 9.163 -1.336 25062 10607 1 15 . 1 1 11 11 ASP N N 11 119.119 119.119 119.504 -0.385 25062 10608 1 15 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.674 0.179 25062 10609 1 15 . 1 1 11 11 ASP C C 11 176.118 176.118 175.041 1.077 25062 10610 1 15 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.187 -0.215 25062 10611 1 15 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.797 0.444 25062 10612 1 15 . 1 1 11 11 ASP H H 11 7.642 7.642 7.494 0.148 25062 10613 1 15 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.091 0.009 25062 10614 1 15 . 1 1 12 12 GLU C C 12 178.508 178.508 177.987 0.521 25062 10615 1 15 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.255 -0.791 25062 10616 1 15 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.163 -0.830 25062 10617 1 15 . 1 1 13 13 ARG N N 13 121.589 121.589 117.726 3.863 25062 10618 1 15 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.403 -0.266 25062 10619 1 15 . 1 1 13 13 ARG C C 13 179.625 179.625 178.494 1.131 25062 10620 1 15 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.112 1.306 25062 10621 1 15 . 1 1 13 13 ARG CB C 13 29.355 29.355 28.906 0.449 25062 10622 1 15 . 1 1 13 13 ARG H H 13 8.593 8.593 7.722 0.871 25062 10623 1 15 . 1 1 14 14 ILE N N 14 119.911 119.911 120.889 -0.978 25062 10624 1 15 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.749 -0.099 25062 10625 1 15 . 1 1 14 14 ILE C C 14 177.727 177.727 177.897 -0.170 25062 10626 1 15 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.759 0.399 25062 10627 1 15 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.733 -0.394 25062 10628 1 15 . 1 1 14 14 ILE H H 14 7.823 7.823 7.550 0.273 25062 10629 1 15 . 1 1 15 15 ALA N N 15 121.015 121.015 121.478 -0.463 25062 10630 1 15 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.959 -0.240 25062 10631 1 15 . 1 1 15 15 ALA C C 15 178.994 178.994 179.597 -0.603 25062 10632 1 15 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.980 0.910 25062 10633 1 15 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.909 -0.058 25062 10634 1 15 . 1 1 15 15 ALA H H 15 7.610 7.610 7.662 -0.052 25062 10635 1 15 . 1 1 16 16 GLU N N 16 117.655 117.655 117.765 -0.110 25062 10636 1 15 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.784 0.350 25062 10637 1 15 . 1 1 16 16 GLU C C 16 178.517 178.517 179.133 -0.616 25062 10638 1 15 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.141 -0.862 25062 10639 1 15 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.424 -0.202 25062 10640 1 15 . 1 1 16 16 GLU H H 16 7.808 7.808 7.605 0.203 25062 10641 1 15 . 1 1 17 17 GLU N N 17 119.648 119.648 119.639 0.009 25062 10642 1 15 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.126 -0.072 25062 10643 1 15 . 1 1 17 17 GLU C C 17 180.213 180.213 179.277 0.936 25062 10644 1 15 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.460 0.774 25062 10645 1 15 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.349 -0.196 25062 10646 1 15 . 1 1 17 17 GLU H H 17 8.002 8.002 7.798 0.204 25062 10647 1 15 . 1 1 18 18 LEU N N 18 119.118 119.118 119.901 -0.783 25062 10648 1 15 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.106 -0.006 25062 10649 1 15 . 1 1 18 18 LEU C C 18 178.233 178.233 178.684 -0.451 25062 10650 1 15 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.661 0.145 25062 10651 1 15 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.727 -0.856 25062 10652 1 15 . 1 1 18 18 LEU H H 18 8.554 8.554 8.434 0.120 25062 10653 1 15 . 1 1 19 19 ARG N N 19 122.158 122.158 119.681 2.477 25062 10654 1 15 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.075 -0.260 25062 10655 1 15 . 1 1 19 19 ARG C C 19 178.686 178.686 178.122 0.564 25062 10656 1 15 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.652 1.264 25062 10657 1 15 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.640 -0.301 25062 10658 1 15 . 1 1 19 19 ARG H H 19 8.274 8.274 7.714 0.560 25062 10659 1 15 . 1 1 20 20 LYS N N 20 118.130 118.130 118.469 -0.339 25062 10660 1 15 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.953 -0.018 25062 10661 1 15 . 1 1 20 20 LYS C C 20 179.078 179.078 178.659 0.419 25062 10662 1 15 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.796 -0.043 25062 10663 1 15 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.183 0.257 25062 10664 1 15 . 1 1 20 20 LYS H H 20 7.977 7.977 7.780 0.197 25062 10665 1 15 . 1 1 21 21 GLU N N 21 120.451 120.451 118.531 1.920 25062 10666 1 15 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.201 -0.146 25062 10667 1 15 . 1 1 21 21 GLU C C 21 178.995 178.995 179.163 -0.168 25062 10668 1 15 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.710 0.393 25062 10669 1 15 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.189 -0.026 25062 10670 1 15 . 1 1 21 21 GLU H H 21 7.813 7.813 7.586 0.227 25062 10671 1 15 . 1 1 22 22 VAL N N 22 119.654 119.654 120.446 -0.792 25062 10672 1 15 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.646 -0.206 25062 10673 1 15 . 1 1 22 22 VAL C C 22 176.428 176.428 178.154 -1.726 25062 10674 1 15 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.413 -0.292 25062 10675 1 15 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.774 -0.323 25062 10676 1 15 . 1 1 22 22 VAL H H 22 8.146 8.146 8.299 -0.153 25062 10677 1 15 . 1 1 23 23 GLN N N 23 116.884 116.884 118.075 -1.191 25062 10678 1 15 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.272 -0.320 25062 10679 1 15 . 1 1 23 23 GLN C C 23 177.429 177.429 178.623 -1.194 25062 10680 1 15 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.601 0.166 25062 10681 1 15 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.580 -0.029 25062 10682 1 15 . 1 1 23 23 GLN H H 23 7.588 7.588 7.654 -0.066 25062 10683 1 15 . 1 1 24 24 LYS N N 24 116.529 116.529 116.695 -0.166 25062 10684 1 15 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.254 -0.258 25062 10685 1 15 . 1 1 24 24 LYS C C 24 177.508 177.508 178.183 -0.675 25062 10686 1 15 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.156 1.258 25062 10687 1 15 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.189 0.728 25062 10688 1 15 . 1 1 24 24 LYS H H 24 7.544 7.544 7.457 0.087 25062 10689 1 15 . 1 1 25 25 HIS N N 25 119.657 119.657 117.803 1.854 25062 10690 1 15 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.526 -0.273 25062 10691 1 15 . 1 1 25 25 HIS C C 25 175.915 175.915 173.545 2.370 25062 10692 1 15 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.445 0.997 25062 10693 1 15 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.740 0.130 25062 10694 1 15 . 1 1 25 25 HIS H H 25 7.809 7.809 7.862 -0.053 25062 10695 1 15 . 1 1 26 26 ASP N N 26 113.221 113.221 113.835 -0.614 25062 10696 1 15 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.885 -0.150 25062 10697 1 15 . 1 1 26 26 ASP C C 26 173.856 173.856 174.147 -0.291 25062 10698 1 15 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.271 -0.601 25062 10699 1 15 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.543 -1.177 25062 10700 1 15 . 1 1 26 26 ASP H H 26 8.358 8.358 7.946 0.412 25062 10701 1 15 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.585 -0.019 25062 10702 1 15 . 1 1 27 27 PRO C C 27 176.845 176.845 176.563 0.282 25062 10703 1 15 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.930 -0.053 25062 10704 1 15 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.696 -0.411 25062 10705 1 15 . 1 1 28 28 ASN N N 28 115.529 115.529 115.924 -0.395 25062 10706 1 15 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.714 -0.042 25062 10707 1 15 . 1 1 28 28 ASN C C 28 175.632 175.632 175.718 -0.086 25062 10708 1 15 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.804 0.011 25062 10709 1 15 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.319 -0.225 25062 10710 1 15 . 1 1 28 28 ASN H H 28 8.570 8.570 8.104 0.466 25062 10711 1 15 . 1 1 29 29 VAL N N 29 121.867 121.867 121.622 0.245 25062 10712 1 15 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.021 -0.137 25062 10713 1 15 . 1 1 29 29 VAL C C 29 175.085 175.085 175.455 -0.370 25062 10714 1 15 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.948 0.227 25062 10715 1 15 . 1 1 29 29 VAL CB C 29 31.998 31.998 30.604 1.394 25062 10716 1 15 . 1 1 29 29 VAL H H 29 7.465 7.465 7.549 -0.084 25062 10717 1 15 . 1 1 30 30 LYS N N 30 130.242 130.242 127.740 2.502 25062 10718 1 15 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.636 -0.202 25062 10719 1 15 . 1 1 30 30 LYS C C 30 175.093 175.093 175.466 -0.373 25062 10720 1 15 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.431 -0.057 25062 10721 1 15 . 1 1 30 30 LYS CB C 30 32.427 32.427 34.799 -2.372 25062 10722 1 15 . 1 1 30 30 LYS H H 30 9.036 9.036 8.326 0.710 25062 10723 1 15 . 1 1 31 31 THR N N 31 113.173 113.173 114.189 -1.016 25062 10724 1 15 . 1 1 31 31 THR HA H 31 5.688 5.688 5.345 0.343 25062 10725 1 15 . 1 1 31 31 THR C C 31 174.708 174.708 173.454 1.254 25062 10726 1 15 . 1 1 31 31 THR CA C 31 58.537 58.537 60.430 -1.893 25062 10727 1 15 . 1 1 31 31 THR CB C 31 71.419 71.419 71.105 0.314 25062 10728 1 15 . 1 1 31 31 THR H H 31 8.185 8.185 8.243 -0.058 25062 10729 1 15 . 1 1 32 32 VAL N N 32 122.168 122.168 123.785 -1.617 25062 10730 1 15 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.707 0.188 25062 10731 1 15 . 1 1 32 32 VAL C C 32 173.388 173.388 174.323 -0.935 25062 10732 1 15 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.168 0.565 25062 10733 1 15 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.378 -0.474 25062 10734 1 15 . 1 1 32 32 VAL H H 32 8.968 8.968 8.304 0.664 25062 10735 1 15 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.196 -0.222 25062 10736 1 15 . 1 1 33 33 PRO C C 33 177.848 177.848 178.429 -0.581 25062 10737 1 15 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.105 0.237 25062 10738 1 15 . 1 1 33 33 PRO CB C 33 33.021 33.021 33.193 -0.172 25062 10739 1 15 . 1 1 34 34 THR N N 34 114.266 114.266 113.928 0.338 25062 10740 1 15 . 1 1 34 34 THR HA H 34 4.118 4.118 4.010 0.108 25062 10741 1 15 . 1 1 34 34 THR C C 34 176.879 176.879 176.797 0.082 25062 10742 1 15 . 1 1 34 34 THR CA C 34 64.607 64.607 65.258 -0.651 25062 10743 1 15 . 1 1 34 34 THR CB C 34 68.311 68.311 68.156 0.155 25062 10744 1 15 . 1 1 34 34 THR H H 34 9.033 9.033 8.672 0.361 25062 10745 1 15 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.121 0.124 25062 10746 1 15 . 1 1 35 35 LYS C C 35 176.639 176.639 177.903 -1.264 25062 10747 1 15 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.987 -0.853 25062 10748 1 15 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.124 0.179 25062 10749 1 15 . 1 1 36 36 ASP N N 36 120.993 120.993 119.960 1.033 25062 10750 1 15 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.833 0.182 25062 10751 1 15 . 1 1 36 36 ASP C C 36 176.202 176.202 175.558 0.644 25062 10752 1 15 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.820 -0.384 25062 10753 1 15 . 1 1 36 36 ASP CB C 36 41.110 41.110 39.265 1.845 25062 10754 1 15 . 1 1 36 36 ASP H H 36 7.726 7.726 7.981 -0.255 25062 10755 1 15 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.888 0.100 25062 10756 1 15 . 1 1 37 37 LYS C C 37 177.948 177.948 177.969 -0.021 25062 10757 1 15 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.425 -0.117 25062 10758 1 15 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.463 0.385 25062 10759 1 15 . 1 1 38 38 GLU N N 38 119.141 119.141 117.580 1.561 25062 10760 1 15 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.069 0.181 25062 10761 1 15 . 1 1 38 38 GLU C C 38 178.054 178.054 178.954 -0.900 25062 10762 1 15 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.115 -0.613 25062 10763 1 15 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.289 -0.082 25062 10764 1 15 . 1 1 38 38 GLU H H 38 8.883 8.883 8.742 0.141 25062 10765 1 15 . 1 1 39 39 LYS N N 39 118.440 118.440 118.633 -0.193 25062 10766 1 15 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.073 0.434 25062 10767 1 15 . 1 1 39 39 LYS C C 39 177.126 177.126 178.716 -1.590 25062 10768 1 15 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.831 -2.524 25062 10769 1 15 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.072 0.352 25062 10770 1 15 . 1 1 39 39 LYS H H 39 8.064 8.064 7.401 0.663 25062 10771 1 15 . 1 1 40 40 VAL N N 40 118.130 118.130 120.096 -1.966 25062 10772 1 15 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.554 -0.159 25062 10773 1 15 . 1 1 40 40 VAL C C 40 176.934 176.934 177.469 -0.535 25062 10774 1 15 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.069 0.553 25062 10775 1 15 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.197 0.458 25062 10776 1 15 . 1 1 40 40 VAL H H 40 7.308 7.308 8.047 -0.739 25062 10777 1 15 . 1 1 41 41 LYS N N 41 118.555 118.555 118.547 0.008 25062 10778 1 15 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.691 -0.048 25062 10779 1 15 . 1 1 41 41 LYS C C 41 178.363 178.363 178.348 0.015 25062 10780 1 15 . 1 1 41 41 LYS CA C 41 61.287 61.287 60.001 1.286 25062 10781 1 15 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.710 -0.256 25062 10782 1 15 . 1 1 41 41 LYS H H 41 8.150 8.150 8.091 0.059 25062 10783 1 15 . 1 1 42 42 GLU N N 42 119.454 119.454 117.169 2.285 25062 10784 1 15 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.124 -0.026 25062 10785 1 15 . 1 1 42 42 GLU C C 42 179.552 179.552 179.019 0.533 25062 10786 1 15 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.027 0.229 25062 10787 1 15 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.001 0.593 25062 10788 1 15 . 1 1 42 42 GLU H H 42 8.067 8.067 7.677 0.390 25062 10789 1 15 . 1 1 43 43 GLU N N 43 118.427 118.427 119.250 -0.823 25062 10790 1 15 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.204 0.091 25062 10791 1 15 . 1 1 43 43 GLU C C 43 180.076 180.076 179.348 0.728 25062 10792 1 15 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.053 0.402 25062 10793 1 15 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.130 -0.485 25062 10794 1 15 . 1 1 43 43 GLU H H 43 8.189 8.189 7.911 0.278 25062 10795 1 15 . 1 1 44 44 ILE N N 44 122.905 122.905 120.712 2.193 25062 10796 1 15 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.705 -0.070 25062 10797 1 15 . 1 1 44 44 ILE C C 44 176.828 176.828 177.636 -0.808 25062 10798 1 15 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.711 0.686 25062 10799 1 15 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.934 -0.395 25062 10800 1 15 . 1 1 44 44 ILE H H 44 8.734 8.734 8.442 0.292 25062 10801 1 15 . 1 1 45 45 GLU N N 45 120.098 120.098 120.565 -0.467 25062 10802 1 15 . 1 1 45 45 GLU HA H 45 4.139 4.139 3.981 0.158 25062 10803 1 15 . 1 1 45 45 GLU C C 45 178.930 178.930 178.802 0.128 25062 10804 1 15 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.655 -0.166 25062 10805 1 15 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.472 -0.324 25062 10806 1 15 . 1 1 45 45 GLU H H 45 8.099 8.099 7.805 0.294 25062 10807 1 15 . 1 1 46 46 LYS N N 46 118.360 118.360 118.634 -0.274 25062 10808 1 15 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.090 -0.081 25062 10809 1 15 . 1 1 46 46 LYS C C 46 178.775 178.775 178.892 -0.117 25062 10810 1 15 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.459 1.443 25062 10811 1 15 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.665 1.037 25062 10812 1 15 . 1 1 46 46 LYS H H 46 7.854 7.854 7.755 0.099 25062 10813 1 15 . 1 1 47 47 ALA N N 47 122.551 122.551 122.369 0.182 25062 10814 1 15 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.020 0.108 25062 10815 1 15 . 1 1 47 47 ALA C C 47 180.095 180.095 179.492 0.603 25062 10816 1 15 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.141 0.262 25062 10817 1 15 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.351 -0.646 25062 10818 1 15 . 1 1 47 47 ALA H H 47 8.135 8.135 7.991 0.144 25062 10819 1 15 . 1 1 48 48 ARG N N 48 118.945 118.945 117.553 1.392 25062 10820 1 15 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.032 0.025 25062 10821 1 15 . 1 1 48 48 ARG C C 48 179.960 179.960 179.002 0.958 25062 10822 1 15 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.950 0.336 25062 10823 1 15 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.207 -0.755 25062 10824 1 15 . 1 1 48 48 ARG H H 48 8.655 8.655 7.884 0.771 25062 10825 1 15 . 1 1 49 49 LYS N N 49 119.557 119.557 119.445 0.112 25062 10826 1 15 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.106 -0.049 25062 10827 1 15 . 1 1 49 49 LYS C C 49 178.288 178.288 178.797 -0.509 25062 10828 1 15 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.572 0.398 25062 10829 1 15 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.243 0.410 25062 10830 1 15 . 1 1 49 49 LYS H H 49 8.058 8.058 7.707 0.351 25062 10831 1 15 . 1 1 50 50 GLN N N 50 115.215 115.215 115.321 -0.106 25062 10832 1 15 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.352 0.025 25062 10833 1 15 . 1 1 50 50 GLN C C 50 176.439 176.439 176.742 -0.303 25062 10834 1 15 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.447 0.526 25062 10835 1 15 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.250 0.558 25062 10836 1 15 . 1 1 50 50 GLN H H 50 7.938 7.938 7.943 -0.005 25062 10837 1 15 . 1 1 51 51 GLY N N 51 109.413 109.413 108.212 1.201 25062 10838 1 15 . 1 1 51 51 GLY C C 51 174.570 174.570 174.190 0.380 25062 10839 1 15 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.751 0.844 25062 10840 1 15 . 1 1 51 51 GLY H H 51 8.070 8.070 7.733 0.337 25062 10841 1 15 . 1 1 52 52 ARG N N 52 119.414 119.414 120.254 -0.840 25062 10842 1 15 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.949 -0.047 25062 10843 1 15 . 1 1 52 52 ARG C C 52 173.093 173.093 173.950 -0.857 25062 10844 1 15 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.626 0.351 25062 10845 1 15 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.710 0.700 25062 10846 1 15 . 1 1 52 52 ARG H H 52 7.950 7.950 7.918 0.032 25062 10847 1 15 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.888 0.186 25062 10848 1 15 . 1 1 53 53 PRO C C 53 174.179 174.179 175.624 -1.445 25062 10849 1 15 . 1 1 53 53 PRO CA C 53 61.977 61.977 61.965 0.012 25062 10850 1 15 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.304 -0.770 25062 10851 1 15 . 1 1 54 54 ILE N N 54 115.161 115.161 118.276 -3.115 25062 10852 1 15 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.906 0.052 25062 10853 1 15 . 1 1 54 54 ILE C C 54 172.097 172.097 173.872 -1.775 25062 10854 1 15 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.747 -0.974 25062 10855 1 15 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.431 0.304 25062 10856 1 15 . 1 1 54 54 ILE H H 54 7.718 7.718 8.025 -0.307 25062 10857 1 15 . 1 1 55 55 VAL N N 55 126.019 126.019 129.664 -3.645 25062 10858 1 15 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.469 0.411 25062 10859 1 15 . 1 1 55 55 VAL C C 55 173.844 173.844 174.930 -1.086 25062 10860 1 15 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.995 -0.702 25062 10861 1 15 . 1 1 55 55 VAL CB C 55 33.268 33.268 32.119 1.149 25062 10862 1 15 . 1 1 55 55 VAL H H 55 8.352 8.352 8.740 -0.388 25062 10863 1 15 . 1 1 56 56 VAL N N 56 127.584 127.584 127.981 -0.397 25062 10864 1 15 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.467 -0.026 25062 10865 1 15 . 1 1 56 56 VAL C C 56 173.968 173.968 175.373 -1.405 25062 10866 1 15 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.192 -0.649 25062 10867 1 15 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.505 1.875 25062 10868 1 15 . 1 1 56 56 VAL H H 56 9.291 9.291 8.367 0.924 25062 10869 1 15 . 1 1 57 57 PHE N N 57 125.432 125.432 128.519 -3.087 25062 10870 1 15 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.825 0.105 25062 10871 1 15 . 1 1 57 57 PHE C C 57 174.987 174.987 175.463 -0.476 25062 10872 1 15 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.849 0.359 25062 10873 1 15 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.555 1.331 25062 10874 1 15 . 1 1 57 57 PHE H H 57 8.585 8.585 8.457 0.128 25062 10875 1 15 . 1 1 58 58 VAL N N 58 123.763 123.763 123.129 0.634 25062 10876 1 15 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.269 -0.067 25062 10877 1 15 . 1 1 58 58 VAL C C 58 174.791 174.791 175.316 -0.525 25062 10878 1 15 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.442 0.439 25062 10879 1 15 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.176 0.536 25062 10880 1 15 . 1 1 58 58 VAL H H 58 9.008 9.008 8.192 0.816 25062 10881 1 15 . 1 1 59 59 ARG N N 59 127.924 127.924 123.766 4.158 25062 10882 1 15 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.684 -0.102 25062 10883 1 15 . 1 1 59 59 ARG C C 59 177.755 177.755 178.021 -0.266 25062 10884 1 15 . 1 1 59 59 ARG CA C 59 56.538 56.538 56.364 0.173 25062 10885 1 15 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.605 -1.091 25062 10886 1 15 . 1 1 59 59 ARG H H 59 8.820 8.820 8.572 0.248 25062 10887 1 15 . 1 1 60 60 GLY N N 60 110.441 110.441 108.486 1.955 25062 10888 1 15 . 1 1 60 60 GLY C C 60 174.818 174.818 174.212 0.606 25062 10889 1 15 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.705 1.283 25062 10890 1 15 . 1 1 60 60 GLY H H 60 8.200 8.200 8.459 -0.259 25062 10891 1 15 . 1 1 61 61 GLY N N 61 109.411 109.411 106.430 2.981 25062 10892 1 15 . 1 1 61 61 GLY C C 61 174.550 174.550 174.297 0.253 25062 10893 1 15 . 1 1 61 61 GLY CA C 61 45.431 45.431 44.122 1.309 25062 10894 1 15 . 1 1 61 61 GLY H H 61 7.995 7.995 8.028 -0.033 25062 10895 1 15 . 1 1 62 62 ASP N N 62 122.920 122.920 120.606 2.314 25062 10896 1 15 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.993 0.028 25062 10897 1 15 . 1 1 62 62 ASP C C 62 176.247 176.247 175.404 0.843 25062 10898 1 15 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.946 -1.419 25062 10899 1 15 . 1 1 62 62 ASP CB C 62 39.815 39.815 42.728 -2.913 25062 10900 1 15 . 1 1 62 62 ASP H H 62 8.090 8.090 7.752 0.338 25062 10901 1 15 . 1 1 63 63 ASP N N 63 121.058 121.058 121.216 -0.158 25062 10902 1 15 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.295 -0.029 25062 10903 1 15 . 1 1 63 63 ASP C C 63 178.418 178.418 177.886 0.532 25062 10904 1 15 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.574 -0.233 25062 10905 1 15 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.830 0.742 25062 10906 1 15 . 1 1 63 63 ASP H H 63 8.023 8.023 8.675 -0.652 25062 10907 1 15 . 1 1 64 64 GLU N N 64 119.564 119.564 117.837 1.727 25062 10908 1 15 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.026 0.025 25062 10909 1 15 . 1 1 64 64 GLU C C 64 178.321 178.321 179.078 -0.757 25062 10910 1 15 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.417 -0.035 25062 10911 1 15 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.040 0.004 25062 10912 1 15 . 1 1 64 64 GLU H H 64 8.760 8.760 8.828 -0.068 25062 10913 1 15 . 1 1 65 65 ARG N N 65 119.839 119.839 119.025 0.814 25062 10914 1 15 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.086 0.110 25062 10915 1 15 . 1 1 65 65 ARG C C 65 178.305 178.305 178.480 -0.175 25062 10916 1 15 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.116 -0.064 25062 10917 1 15 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.040 0.598 25062 10918 1 15 . 1 1 65 65 ARG H H 65 7.643 7.643 7.785 -0.142 25062 10919 1 15 . 1 1 66 66 ALA N N 66 118.984 118.984 121.985 -3.001 25062 10920 1 15 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.013 -0.147 25062 10921 1 15 . 1 1 66 66 ALA C C 66 178.638 178.638 179.377 -0.739 25062 10922 1 15 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.219 0.247 25062 10923 1 15 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.264 0.097 25062 10924 1 15 . 1 1 66 66 ALA H H 66 7.782 7.782 7.598 0.184 25062 10925 1 15 . 1 1 67 67 LYS N N 67 117.711 117.711 116.866 0.845 25062 10926 1 15 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.023 -0.004 25062 10927 1 15 . 1 1 67 67 LYS C C 67 178.363 178.363 178.841 -0.478 25062 10928 1 15 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.280 0.293 25062 10929 1 15 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.051 0.173 25062 10930 1 15 . 1 1 67 67 LYS H H 67 8.010 8.010 8.091 -0.081 25062 10931 1 15 . 1 1 68 68 ASP N N 68 119.581 119.581 121.608 -2.027 25062 10932 1 15 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.484 -0.070 25062 10933 1 15 . 1 1 68 68 ASP C C 68 179.235 179.235 178.608 0.627 25062 10934 1 15 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.161 0.333 25062 10935 1 15 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.551 0.836 25062 10936 1 15 . 1 1 68 68 ASP H H 68 7.999 7.999 7.538 0.461 25062 10937 1 15 . 1 1 69 69 ILE N N 69 119.307 119.307 120.217 -0.910 25062 10938 1 15 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.633 -0.040 25062 10939 1 15 . 1 1 69 69 ILE C C 69 176.927 176.927 178.165 -1.238 25062 10940 1 15 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.380 -0.155 25062 10941 1 15 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.634 0.229 25062 10942 1 15 . 1 1 69 69 ILE H H 69 8.283 8.283 7.833 0.450 25062 10943 1 15 . 1 1 70 70 ALA N N 70 121.395 121.395 122.407 -1.012 25062 10944 1 15 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.730 0.002 25062 10945 1 15 . 1 1 70 70 ALA C C 70 178.770 178.770 178.899 -0.129 25062 10946 1 15 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.027 0.514 25062 10947 1 15 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.447 0.697 25062 10948 1 15 . 1 1 70 70 ALA H H 70 8.200 8.200 8.087 0.113 25062 10949 1 15 . 1 1 71 71 GLU N N 71 116.210 116.210 120.335 -4.125 25062 10950 1 15 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.160 -0.014 25062 10951 1 15 . 1 1 71 71 GLU C C 71 179.215 179.215 178.809 0.406 25062 10952 1 15 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.318 0.115 25062 10953 1 15 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.872 -0.288 25062 10954 1 15 . 1 1 71 71 GLU H H 71 8.402 8.402 7.896 0.506 25062 10955 1 15 . 1 1 72 72 TYR N N 72 121.372 121.372 120.287 1.085 25062 10956 1 15 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.146 0.056 25062 10957 1 15 . 1 1 72 72 TYR C C 72 176.699 176.699 177.156 -0.457 25062 10958 1 15 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.392 -0.086 25062 10959 1 15 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.358 -0.119 25062 10960 1 15 . 1 1 72 72 TYR H H 72 8.031 8.031 7.957 0.074 25062 10961 1 15 . 1 1 73 73 ALA N N 73 119.994 119.994 120.578 -0.584 25062 10962 1 15 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.745 -0.134 25062 10963 1 15 . 1 1 73 73 ALA C C 73 178.786 178.786 179.548 -0.762 25062 10964 1 15 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.120 0.051 25062 10965 1 15 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.958 0.543 25062 10966 1 15 . 1 1 73 73 ALA H H 73 8.588 8.588 8.009 0.579 25062 10967 1 15 . 1 1 74 74 GLN N N 74 116.775 116.775 118.804 -2.029 25062 10968 1 15 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.307 0.000 25062 10969 1 15 . 1 1 74 74 GLN C C 74 180.672 180.672 177.973 2.699 25062 10970 1 15 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.407 0.769 25062 10971 1 15 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.860 0.337 25062 10972 1 15 . 1 1 74 74 GLN H H 74 8.382 8.382 8.049 0.333 25062 10973 1 15 . 1 1 75 75 LYS N N 75 122.969 122.969 118.793 4.176 25062 10974 1 15 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.076 -0.020 25062 10975 1 15 . 1 1 75 75 LYS C C 75 178.547 178.547 178.535 0.012 25062 10976 1 15 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.572 0.655 25062 10977 1 15 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.298 -0.535 25062 10978 1 15 . 1 1 75 75 LYS H H 75 8.248 8.248 7.565 0.683 25062 10979 1 15 . 1 1 76 76 GLU N N 76 117.058 117.058 115.065 1.993 25062 10980 1 15 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.164 -0.069 25062 10981 1 15 . 1 1 76 76 GLU C C 76 176.070 176.070 176.473 -0.403 25062 10982 1 15 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.104 -0.246 25062 10983 1 15 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.448 0.350 25062 10984 1 15 . 1 1 76 76 GLU H H 76 7.522 7.522 7.550 -0.028 25062 10985 1 15 . 1 1 77 77 GLY N N 77 106.537 106.537 106.783 -0.246 25062 10986 1 15 . 1 1 77 77 GLY C C 77 174.570 174.570 174.145 0.425 25062 10987 1 15 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.212 0.267 25062 10988 1 15 . 1 1 77 77 GLY H H 77 7.797 7.797 7.545 0.252 25062 10989 1 15 . 1 1 78 78 LEU N N 78 121.257 121.257 119.139 2.118 25062 10990 1 15 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.638 -0.232 25062 10991 1 15 . 1 1 78 78 LEU C C 78 176.139 176.139 176.683 -0.544 25062 10992 1 15 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.587 0.717 25062 10993 1 15 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.714 -1.602 25062 10994 1 15 . 1 1 78 78 LEU H H 78 8.008 8.008 7.691 0.317 25062 10995 1 15 . 1 1 79 79 ARG N N 79 121.135 121.135 122.123 -0.988 25062 10996 1 15 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.407 -0.003 25062 10997 1 15 . 1 1 79 79 ARG C C 79 174.598 174.598 175.285 -0.687 25062 10998 1 15 . 1 1 79 79 ARG CA C 79 55.884 55.884 54.700 1.184 25062 10999 1 15 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.342 1.025 25062 11000 1 15 . 1 1 79 79 ARG H H 79 8.062 8.062 8.330 -0.268 25062 11001 1 15 . 1 1 80 80 VAL N N 80 123.517 123.517 126.514 -2.997 25062 11002 1 15 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.486 0.279 25062 11003 1 15 . 1 1 80 80 VAL C C 80 175.373 175.373 174.919 0.454 25062 11004 1 15 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.793 -0.156 25062 11005 1 15 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.506 1.497 25062 11006 1 15 . 1 1 80 80 VAL H H 80 8.377 8.377 8.696 -0.319 25062 11007 1 15 . 1 1 81 81 ILE N N 81 129.083 129.083 129.507 -0.424 25062 11008 1 15 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.902 -0.019 25062 11009 1 15 . 1 1 81 81 ILE C C 81 173.899 173.899 175.189 -1.290 25062 11010 1 15 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.149 0.577 25062 11011 1 15 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.524 1.558 25062 11012 1 15 . 1 1 81 81 ILE H H 81 8.812 8.812 8.454 0.358 25062 11013 1 15 . 1 1 82 82 VAL N N 82 126.531 126.531 128.890 -2.359 25062 11014 1 15 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.626 0.361 25062 11015 1 15 . 1 1 82 82 VAL C C 82 174.164 174.164 175.078 -0.914 25062 11016 1 15 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.590 -1.266 25062 11017 1 15 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.779 1.638 25062 11018 1 15 . 1 1 82 82 VAL H H 82 9.085 9.085 8.214 0.871 25062 11019 1 15 . 1 1 83 83 ILE N N 83 127.143 127.143 129.086 -1.943 25062 11020 1 15 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.951 -0.047 25062 11021 1 15 . 1 1 83 83 ILE C C 83 174.044 174.044 175.858 -1.814 25062 11022 1 15 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.026 -0.010 25062 11023 1 15 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.010 0.807 25062 11024 1 15 . 1 1 83 83 ILE H H 83 9.391 9.391 8.513 0.878 25062 11025 1 15 . 1 1 84 84 ILE N N 84 126.750 126.750 129.396 -2.646 25062 11026 1 15 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.606 -0.160 25062 11027 1 15 . 1 1 84 84 ILE C C 84 174.788 174.788 175.797 -1.009 25062 11028 1 15 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.904 0.147 25062 11029 1 15 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.764 1.268 25062 11030 1 15 . 1 1 84 84 ILE H H 84 8.714 8.714 8.765 -0.051 25062 11031 1 15 . 1 1 85 85 VAL N N 85 127.160 127.160 129.750 -2.590 25062 11032 1 15 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.889 0.090 25062 11033 1 15 . 1 1 85 85 VAL C C 85 176.539 176.539 174.612 1.927 25062 11034 1 15 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.512 -1.450 25062 11035 1 15 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.510 -0.636 25062 11036 1 15 . 1 1 85 85 VAL H H 85 8.464 8.464 8.848 -0.384 25062 11037 1 15 . 1 1 86 86 SER N N 86 121.723 121.723 120.294 1.429 25062 11038 1 15 . 1 1 86 86 SER HA H 86 4.490 4.490 4.852 -0.362 25062 11039 1 15 . 1 1 86 86 SER C C 86 172.447 172.447 172.914 -0.467 25062 11040 1 15 . 1 1 86 86 SER CA C 86 58.131 58.131 56.615 1.516 25062 11041 1 15 . 1 1 86 86 SER CB C 86 64.121 64.121 65.445 -1.324 25062 11042 1 15 . 1 1 86 86 SER H H 86 8.725 8.725 8.153 0.572 25062 11043 1 15 . 1 1 87 87 GLN N N 87 121.657 121.657 121.560 0.097 25062 11044 1 15 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.440 0.129 25062 11045 1 15 . 1 1 87 87 GLN C C 87 175.732 175.732 176.021 -0.289 25062 11046 1 15 . 1 1 87 87 GLN CA C 87 56.426 56.426 56.493 -0.067 25062 11047 1 15 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.033 0.086 25062 11048 1 15 . 1 1 87 87 GLN H H 87 8.516 8.516 8.620 -0.104 25062 11049 1 15 . 1 1 88 88 ASP N N 88 121.146 121.146 120.837 0.309 25062 11050 1 15 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.813 -0.113 25062 11051 1 15 . 1 1 88 88 ASP C C 88 175.752 175.752 176.143 -0.391 25062 11052 1 15 . 1 1 88 88 ASP CA C 88 53.079 53.079 52.583 0.496 25062 11053 1 15 . 1 1 88 88 ASP CB C 88 41.203 41.203 42.075 -0.872 25062 11054 1 15 . 1 1 88 88 ASP H H 88 8.459 8.459 7.602 0.857 25062 11055 1 15 . 1 1 89 89 GLU N N 89 125.736 125.736 126.027 -0.291 25062 11056 1 15 . 1 1 89 89 GLU HA H 89 3.934 3.934 4.027 -0.093 25062 11057 1 15 . 1 1 89 89 GLU C C 89 178.820 178.820 177.868 0.952 25062 11058 1 15 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.223 0.321 25062 11059 1 15 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.875 -0.248 25062 11060 1 15 . 1 1 89 89 GLU H H 89 8.840 8.840 8.974 -0.134 25062 11061 1 15 . 1 1 90 90 GLU N N 90 119.813 119.813 119.348 0.465 25062 11062 1 15 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.034 0.202 25062 11063 1 15 . 1 1 90 90 GLU C C 90 178.385 178.385 178.340 0.045 25062 11064 1 15 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.104 -0.297 25062 11065 1 15 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.464 -0.287 25062 11066 1 15 . 1 1 90 90 GLU H H 90 8.300 8.300 8.031 0.269 25062 11067 1 15 . 1 1 91 91 ALA N N 91 123.211 123.211 122.730 0.481 25062 11068 1 15 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.216 -0.085 25062 11069 1 15 . 1 1 91 91 ALA C C 91 181.895 181.895 179.461 2.434 25062 11070 1 15 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.693 0.007 25062 11071 1 15 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.180 -0.299 25062 11072 1 15 . 1 1 91 91 ALA H H 91 7.670 7.670 7.548 0.122 25062 11073 1 15 . 1 1 92 92 LEU N N 92 118.903 118.903 119.086 -0.183 25062 11074 1 15 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.891 0.114 25062 11075 1 15 . 1 1 92 92 LEU C C 92 177.951 177.951 179.379 -1.428 25062 11076 1 15 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.066 -0.116 25062 11077 1 15 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.659 0.523 25062 11078 1 15 . 1 1 92 92 LEU H H 92 8.190 8.190 7.717 0.473 25062 11079 1 15 . 1 1 93 93 ARG N N 93 118.916 118.916 117.213 1.703 25062 11080 1 15 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.181 -0.083 25062 11081 1 15 . 1 1 93 93 ARG C C 93 178.775 178.775 178.522 0.253 25062 11082 1 15 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.277 0.065 25062 11083 1 15 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.079 0.066 25062 11084 1 15 . 1 1 93 93 ARG H H 93 7.868 7.868 8.169 -0.301 25062 11085 1 15 . 1 1 94 94 LYS N N 94 118.989 118.989 121.190 -2.201 25062 11086 1 15 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.070 -0.013 25062 11087 1 15 . 1 1 94 94 LYS C C 94 179.270 179.270 178.863 0.407 25062 11088 1 15 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.760 -0.525 25062 11089 1 15 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.135 0.299 25062 11090 1 15 . 1 1 94 94 LYS H H 94 8.236 8.236 7.809 0.427 25062 11091 1 15 . 1 1 95 95 GLY N N 95 107.084 107.084 105.782 1.302 25062 11092 1 15 . 1 1 95 95 GLY C C 95 175.285 175.285 175.720 -0.435 25062 11093 1 15 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.593 0.452 25062 11094 1 15 . 1 1 95 95 GLY H H 95 8.296 8.296 7.745 0.551 25062 11095 1 15 . 1 1 96 96 TYR N N 96 121.591 121.591 123.719 -2.128 25062 11096 1 15 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.105 -0.059 25062 11097 1 15 . 1 1 96 96 TYR C C 96 176.428 176.428 177.493 -1.065 25062 11098 1 15 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.335 0.109 25062 11099 1 15 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.517 0.073 25062 11100 1 15 . 1 1 96 96 TYR H H 96 8.372 8.372 7.899 0.473 25062 11101 1 15 . 1 1 97 97 GLU N N 97 117.883 117.883 116.982 0.901 25062 11102 1 15 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.724 0.107 25062 11103 1 15 . 1 1 97 97 GLU C C 97 178.775 178.775 178.801 -0.026 25062 11104 1 15 . 1 1 97 97 GLU CA C 97 59.249 59.249 58.801 0.448 25062 11105 1 15 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.328 0.214 25062 11106 1 15 . 1 1 97 97 GLU H H 97 8.205 8.205 8.163 0.042 25062 11107 1 15 . 1 1 98 98 ASP N N 98 117.644 117.644 120.716 -3.072 25062 11108 1 15 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.356 -0.011 25062 11109 1 15 . 1 1 98 98 ASP C C 98 177.978 177.978 178.206 -0.228 25062 11110 1 15 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.085 0.028 25062 11111 1 15 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.988 1.003 25062 11112 1 15 . 1 1 98 98 ASP H H 98 8.139 8.139 7.722 0.417 25062 11113 1 15 . 1 1 99 99 LYS N N 99 116.691 116.691 118.460 -1.769 25062 11114 1 15 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.135 -0.111 25062 11115 1 15 . 1 1 99 99 LYS C C 99 178.061 178.061 178.647 -0.586 25062 11116 1 15 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.494 -0.488 25062 11117 1 15 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.776 -0.400 25062 11118 1 15 . 1 1 99 99 LYS H H 99 7.886 7.886 7.806 0.080 25062 11119 1 15 . 1 1 100 100 LYS N N 100 120.645 120.645 120.886 -0.241 25062 11120 1 15 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.232 -0.158 25062 11121 1 15 . 1 1 100 100 LYS C C 100 180.486 180.486 179.345 1.141 25062 11122 1 15 . 1 1 100 100 LYS CA C 100 58.183 58.183 59.026 -0.843 25062 11123 1 15 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.989 -0.624 25062 11124 1 15 . 1 1 100 100 LYS H H 100 8.395 8.395 7.918 0.477 25062 11125 1 15 . 1 1 101 101 LYS N N 101 119.297 119.297 118.755 0.542 25062 11126 1 15 . 1 1 101 101 LYS HA H 101 4.082 4.082 3.970 0.112 25062 11127 1 15 . 1 1 101 101 LYS C C 101 177.669 177.669 177.508 0.161 25062 11128 1 15 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.605 -0.139 25062 11129 1 15 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.262 -0.017 25062 11130 1 15 . 1 1 101 101 LYS H H 101 7.713 7.713 7.451 0.262 25062 11131 1 15 . 1 1 102 102 LYS N N 102 116.847 116.847 115.693 1.154 25062 11132 1 15 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.009 0.084 25062 11133 1 15 . 1 1 102 102 LYS C C 102 176.357 176.357 176.414 -0.057 25062 11134 1 15 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.840 -0.051 25062 11135 1 15 . 1 1 102 102 LYS CB C 102 32.003 32.003 31.957 0.046 25062 11136 1 15 . 1 1 102 102 LYS H H 102 7.124 7.124 7.200 -0.076 25062 11137 1 15 . 1 1 103 103 GLY N N 103 105.781 105.781 106.209 -0.428 25062 11138 1 15 . 1 1 103 103 GLY C C 103 174.378 174.378 173.846 0.532 25062 11139 1 15 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.895 0.159 25062 11140 1 15 . 1 1 103 103 GLY H H 103 7.771 7.771 7.355 0.416 25062 11141 1 15 . 1 1 104 104 TYR N N 104 119.257 119.257 118.771 0.486 25062 11142 1 15 . 1 1 104 104 TYR HA H 104 4.938 4.938 5.037 -0.099 25062 11143 1 15 . 1 1 104 104 TYR C C 104 175.223 175.223 174.955 0.268 25062 11144 1 15 . 1 1 104 104 TYR CA C 104 54.451 54.451 54.813 -0.362 25062 11145 1 15 . 1 1 104 104 TYR CB C 104 37.745 37.745 38.835 -1.090 25062 11146 1 15 . 1 1 104 104 TYR H H 104 6.914 6.914 7.381 -0.467 25062 11147 1 15 . 1 1 105 105 ASP N N 105 122.574 122.574 125.317 -2.743 25062 11148 1 15 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.584 0.197 25062 11149 1 15 . 1 1 105 105 ASP C C 105 174.818 174.818 175.239 -0.421 25062 11150 1 15 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.949 -0.734 25062 11151 1 15 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.608 1.193 25062 11152 1 15 . 1 1 105 105 ASP H H 105 8.223 8.223 8.630 -0.407 25062 11153 1 15 . 1 1 106 106 VAL N N 106 121.990 121.990 123.192 -1.202 25062 11154 1 15 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.770 0.487 25062 11155 1 15 . 1 1 106 106 VAL C C 106 173.835 173.835 175.565 -1.730 25062 11156 1 15 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.316 -1.274 25062 11157 1 15 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.296 1.083 25062 11158 1 15 . 1 1 106 106 VAL H H 106 7.876 7.876 7.822 0.053 25062 11159 1 15 . 1 1 107 107 TYR N N 107 125.444 125.444 126.442 -0.998 25062 11160 1 15 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.887 0.120 25062 11161 1 15 . 1 1 107 107 TYR C C 107 174.765 174.765 174.921 -0.156 25062 11162 1 15 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.619 -0.554 25062 11163 1 15 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.421 -0.532 25062 11164 1 15 . 1 1 107 107 TYR H H 107 9.400 9.400 9.414 -0.014 25062 11165 1 15 . 1 1 108 108 THR N N 108 111.100 111.100 114.396 -3.296 25062 11166 1 15 . 1 1 108 108 THR HA H 108 5.212 5.212 5.149 0.063 25062 11167 1 15 . 1 1 108 108 THR C C 108 174.350 174.350 173.986 0.364 25062 11168 1 15 . 1 1 108 108 THR CA C 108 59.514 59.514 59.980 -0.466 25062 11169 1 15 . 1 1 108 108 THR CB C 108 70.911 70.911 70.823 0.088 25062 11170 1 15 . 1 1 108 108 THR H H 108 8.801 8.801 8.360 0.441 25062 11171 1 15 . 1 1 109 109 SER N N 109 114.650 114.650 119.301 -4.651 25062 11172 1 15 . 1 1 109 109 SER HA H 109 4.901 4.901 4.771 0.130 25062 11173 1 15 . 1 1 109 109 SER C C 109 172.399 172.399 174.542 -2.143 25062 11174 1 15 . 1 1 109 109 SER CA C 109 57.974 57.974 57.110 0.864 25062 11175 1 15 . 1 1 109 109 SER CB C 109 67.764 67.764 66.672 1.092 25062 11176 1 15 . 1 1 109 109 SER H H 109 8.565 8.565 8.503 0.062 25062 11177 1 15 . 1 1 110 110 ARG N N 110 119.807 119.807 125.606 -5.799 25062 11178 1 15 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.005 1.004 25062 11179 1 15 . 1 1 110 110 ARG C C 110 175.995 175.995 175.902 0.093 25062 11180 1 15 . 1 1 110 110 ARG CA C 110 56.009 56.009 59.330 -3.321 25062 11181 1 15 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.808 1.009 25062 11182 1 15 . 1 1 110 110 ARG H H 110 8.948 8.948 8.975 -0.027 25062 11183 1 15 . 1 1 111 111 ASN N N 111 110.690 110.690 110.356 0.334 25062 11184 1 15 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.749 -0.116 25062 11185 1 15 . 1 1 111 111 ASN C C 111 174.460 174.460 174.779 -0.319 25062 11186 1 15 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.863 -1.493 25062 11187 1 15 . 1 1 111 111 ASN CB C 111 40.117 40.117 38.694 1.423 25062 11188 1 15 . 1 1 111 111 ASN H H 111 7.426 7.426 7.612 -0.186 25062 11189 1 15 . 1 1 112 112 GLU N N 112 119.451 119.451 119.070 0.381 25062 11190 1 15 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.921 -0.113 25062 11191 1 15 . 1 1 112 112 GLU C C 112 176.445 176.445 177.479 -1.034 25062 11192 1 15 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.995 0.198 25062 11193 1 15 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.508 1.098 25062 11194 1 15 . 1 1 112 112 GLU H H 112 9.529 9.529 8.716 0.813 25062 11195 1 15 . 1 1 113 113 ASP N N 113 120.739 120.739 118.845 1.894 25062 11196 1 15 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.358 0.011 25062 11197 1 15 . 1 1 113 113 ASP C C 113 179.043 179.043 178.982 0.061 25062 11198 1 15 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.532 0.573 25062 11199 1 15 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.334 0.613 25062 11200 1 15 . 1 1 113 113 ASP H H 113 8.256 8.256 8.327 -0.071 25062 11201 1 15 . 1 1 114 114 GLU N N 114 119.817 119.817 119.801 0.016 25062 11202 1 15 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.106 -0.056 25062 11203 1 15 . 1 1 114 114 GLU C C 114 178.770 178.770 178.664 0.106 25062 11204 1 15 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.817 0.423 25062 11205 1 15 . 1 1 114 114 GLU CB C 114 30.656 30.656 28.919 1.737 25062 11206 1 15 . 1 1 114 114 GLU H H 114 8.577 8.577 7.744 0.833 25062 11207 1 15 . 1 1 115 115 ALA N N 115 121.470 121.470 123.041 -1.571 25062 11208 1 15 . 1 1 115 115 ALA HA H 115 4.055 4.055 3.968 0.087 25062 11209 1 15 . 1 1 115 115 ALA C C 115 178.962 178.962 179.129 -0.167 25062 11210 1 15 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.506 -0.293 25062 11211 1 15 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.297 1.560 25062 11212 1 15 . 1 1 115 115 ALA H H 115 8.358 8.358 8.203 0.155 25062 11213 1 15 . 1 1 116 116 LYS N N 116 117.285 117.285 117.982 -0.697 25062 11214 1 15 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.020 -0.362 25062 11215 1 15 . 1 1 116 116 LYS C C 116 178.583 178.583 179.012 -0.429 25062 11216 1 15 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.486 1.431 25062 11217 1 15 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.377 0.434 25062 11218 1 15 . 1 1 116 116 LYS H H 116 8.350 8.350 8.054 0.296 25062 11219 1 15 . 1 1 117 117 LYS N N 117 118.433 118.433 119.422 -0.989 25062 11220 1 15 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.070 -0.084 25062 11221 1 15 . 1 1 117 117 LYS C C 117 179.380 179.380 179.023 0.357 25062 11222 1 15 . 1 1 117 117 LYS CA C 117 59.605 59.605 58.848 0.757 25062 11223 1 15 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.060 0.322 25062 11224 1 15 . 1 1 117 117 LYS H H 117 7.345 7.345 7.392 -0.047 25062 11225 1 15 . 1 1 118 118 LYS N N 118 118.166 118.166 119.455 -1.289 25062 11226 1 15 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.843 0.096 25062 11227 1 15 . 1 1 118 118 LYS C C 118 178.088 178.088 179.093 -1.005 25062 11228 1 15 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.631 -1.075 25062 11229 1 15 . 1 1 118 118 LYS CB C 118 31.140 31.140 32.038 -0.898 25062 11230 1 15 . 1 1 118 118 LYS H H 118 8.130 8.130 7.863 0.267 25062 11231 1 15 . 1 1 119 119 LEU N N 119 120.654 120.654 120.445 0.209 25062 11232 1 15 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.927 -0.143 25062 11233 1 15 . 1 1 119 119 LEU C C 119 177.567 177.567 178.301 -0.734 25062 11234 1 15 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.854 0.060 25062 11235 1 15 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.926 0.248 25062 11236 1 15 . 1 1 119 119 LEU H H 119 8.592 8.592 8.159 0.433 25062 11237 1 15 . 1 1 120 120 LYS N N 120 118.314 118.314 118.606 -0.292 25062 11238 1 15 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.483 0.062 25062 11239 1 15 . 1 1 120 120 LYS C C 120 178.624 178.624 179.031 -0.407 25062 11240 1 15 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.404 0.886 25062 11241 1 15 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.990 -0.226 25062 11242 1 15 . 1 1 120 120 LYS H H 120 7.753 7.753 7.417 0.336 25062 11243 1 15 . 1 1 121 121 GLU N N 121 118.446 118.446 119.879 -1.433 25062 11244 1 15 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.275 -0.269 25062 11245 1 15 . 1 1 121 121 GLU C C 121 178.744 178.744 178.841 -0.097 25062 11246 1 15 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.221 0.318 25062 11247 1 15 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.450 -0.087 25062 11248 1 15 . 1 1 121 121 GLU H H 121 7.777 7.777 7.935 -0.158 25062 11249 1 15 . 1 1 122 122 ALA N N 122 121.333 121.333 121.503 -0.170 25062 11250 1 15 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.091 -0.135 25062 11251 1 15 . 1 1 122 122 ALA C C 122 179.973 179.973 179.743 0.230 25062 11252 1 15 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.710 0.250 25062 11253 1 15 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.526 -0.098 25062 11254 1 15 . 1 1 122 122 ALA H H 122 8.229 8.229 7.465 0.764 25062 11255 1 15 . 1 1 123 123 LEU N N 123 118.790 118.790 119.193 -0.403 25062 11256 1 15 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.095 -0.315 25062 11257 1 15 . 1 1 123 123 LEU C C 123 179.703 179.703 179.137 0.566 25062 11258 1 15 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.199 0.690 25062 11259 1 15 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.810 -0.958 25062 11260 1 15 . 1 1 123 123 LEU H H 123 8.177 8.177 7.912 0.265 25062 11261 1 15 . 1 1 124 124 GLU N N 124 120.881 120.881 119.259 1.622 25062 11262 1 15 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.093 0.051 25062 11263 1 15 . 1 1 124 124 GLU C C 124 179.732 179.732 178.934 0.798 25062 11264 1 15 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.303 0.136 25062 11265 1 15 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.559 -0.039 25062 11266 1 15 . 1 1 124 124 GLU H H 124 8.393 8.393 8.091 0.302 25062 11267 1 15 . 1 1 125 125 LYS N N 125 119.526 119.526 117.429 2.097 25062 11268 1 15 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.240 0.019 25062 11269 1 15 . 1 1 125 125 LYS C C 125 177.862 177.862 178.374 -0.512 25062 11270 1 15 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.645 0.300 25062 11271 1 15 . 1 1 125 125 LYS CB C 125 32.357 32.357 31.949 0.408 25062 11272 1 15 . 1 1 125 125 LYS H H 125 8.290 8.290 7.545 0.745 25062 11273 1 15 . 1 1 126 126 SER N N 126 114.103 114.103 112.275 1.828 25062 11274 1 15 . 1 1 126 126 SER HA H 126 4.385 4.385 4.516 -0.131 25062 11275 1 15 . 1 1 126 126 SER C C 126 174.460 174.460 175.196 -0.736 25062 11276 1 15 . 1 1 126 126 SER CA C 126 59.611 59.611 58.713 0.898 25062 11277 1 15 . 1 1 126 126 SER CB C 126 63.479 63.479 63.997 -0.518 25062 11278 1 15 . 1 1 126 126 SER H H 126 7.702 7.702 7.588 0.114 25062 11279 1 15 . 1 1 127 127 GLY N N 127 108.584 108.584 109.616 -1.032 25062 11280 1 15 . 1 1 127 127 GLY C C 127 174.103 174.103 174.665 -0.562 25062 11281 1 15 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.335 0.102 25062 11282 1 15 . 1 1 127 127 GLY H H 127 7.933 7.933 7.655 0.278 25062 11283 1 15 . 1 1 128 128 SER N N 128 115.990 115.990 119.066 -3.076 25062 11284 1 15 . 1 1 128 128 SER HA H 128 4.590 4.590 4.475 0.115 25062 11285 1 15 . 1 1 128 128 SER C C 128 174.412 174.412 173.270 1.142 25062 11286 1 15 . 1 1 128 128 SER CA C 128 57.986 57.986 59.566 -1.580 25062 11287 1 15 . 1 1 128 128 SER CB C 128 63.336 63.336 63.127 0.209 25062 11288 1 15 . 1 1 128 128 SER H H 128 8.091 8.091 8.063 0.028 25062 11289 1 15 . 1 1 129 129 LEU N N 129 125.492 125.492 126.814 -1.322 25062 11290 1 15 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.316 0.125 25062 11291 1 15 . 1 1 129 129 LEU C C 129 177.084 177.084 175.648 1.436 25062 11292 1 15 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.209 0.667 25062 11293 1 15 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.723 -1.414 25062 11294 1 15 . 1 1 129 129 LEU H H 129 8.262 8.262 7.985 0.277 25062 11295 1 15 . 1 1 130 130 GLU N N 130 121.006 121.006 124.871 -3.865 25062 11296 1 15 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.155 -0.180 25062 11297 1 15 . 1 1 130 130 GLU C C 130 176.435 176.435 175.741 0.694 25062 11298 1 15 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.766 0.047 25062 11299 1 15 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.740 -0.461 25062 11300 1 15 . 1 1 130 130 GLU H H 130 8.398 8.398 8.122 0.276 25062 11301 1 15 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.950 -0.359 25062 11302 1 15 . 1 1 131 131 HIS C C 131 174.179 174.179 174.171 0.008 25062 11303 1 15 . 1 1 131 131 HIS CA C 131 56.149 56.149 55.494 0.655 25062 11304 1 15 . 1 1 131 131 HIS CB C 131 30.831 30.831 32.455 -1.624 25062 11305 1 15 . 1 1 132 132 HIS N N 132 125.794 125.794 116.156 9.638 25062 11306 1 15 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.644 -0.228 25062 11307 1 15 . 1 1 132 132 HIS C C 132 179.523 179.523 174.753 4.770 25062 11308 1 15 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.364 2.152 25062 11309 1 15 . 1 1 132 132 HIS CB C 132 31.008 31.008 31.293 -0.285 25062 11310 1 15 . 1 1 132 132 HIS H H 132 7.935 7.935 8.312 -0.377 25062 11311 1 16 . 1 1 2 2 GLY N N 2 109.342 109.342 105.192 4.150 25062 11312 1 16 . 1 1 2 2 GLY C C 2 172.736 172.736 171.707 1.029 25062 11313 1 16 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.558 0.098 25062 11314 1 16 . 1 1 2 2 GLY H H 2 8.632 8.632 8.031 0.601 25062 11315 1 16 . 1 1 3 3 VAL N N 3 123.457 123.457 120.090 3.367 25062 11316 1 16 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.499 0.482 25062 11317 1 16 . 1 1 3 3 VAL C C 3 173.780 173.780 174.493 -0.713 25062 11318 1 16 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.927 -1.577 25062 11319 1 16 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.631 0.482 25062 11320 1 16 . 1 1 3 3 VAL H H 3 7.516 7.516 7.873 -0.357 25062 11321 1 16 . 1 1 4 4 VAL N N 4 125.375 125.375 127.515 -2.140 25062 11322 1 16 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.598 -0.067 25062 11323 1 16 . 1 1 4 4 VAL C C 4 173.185 173.185 174.970 -1.785 25062 11324 1 16 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.142 -0.642 25062 11325 1 16 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.942 0.853 25062 11326 1 16 . 1 1 4 4 VAL H H 4 8.810 8.810 8.503 0.307 25062 11327 1 16 . 1 1 5 5 ILE N N 5 127.180 127.180 129.205 -2.025 25062 11328 1 16 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.599 0.270 25062 11329 1 16 . 1 1 5 5 ILE C C 5 174.303 174.303 174.881 -0.578 25062 11330 1 16 . 1 1 5 5 ILE CA C 5 59.410 59.410 59.920 -0.510 25062 11331 1 16 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.010 0.633 25062 11332 1 16 . 1 1 5 5 ILE H H 5 8.800 8.800 9.030 -0.230 25062 11333 1 16 . 1 1 6 6 LEU N N 6 129.025 129.025 129.063 -0.038 25062 11334 1 16 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.656 0.357 25062 11335 1 16 . 1 1 6 6 LEU C C 6 174.847 174.847 176.067 -1.220 25062 11336 1 16 . 1 1 6 6 LEU CA C 6 53.468 53.468 54.031 -0.563 25062 11337 1 16 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.819 2.474 25062 11338 1 16 . 1 1 6 6 LEU H H 6 9.424 9.424 8.941 0.483 25062 11339 1 16 . 1 1 7 7 VAL N N 7 123.364 123.364 126.140 -2.776 25062 11340 1 16 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.631 0.026 25062 11341 1 16 . 1 1 7 7 VAL C C 7 174.210 174.210 175.425 -1.215 25062 11342 1 16 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.353 -0.526 25062 11343 1 16 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.400 -0.147 25062 11344 1 16 . 1 1 7 7 VAL H H 7 8.653 8.653 8.970 -0.317 25062 11345 1 16 . 1 1 8 8 LEU N N 8 130.560 130.560 131.737 -1.177 25062 11346 1 16 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.046 0.250 25062 11347 1 16 . 1 1 8 8 LEU C C 8 175.744 175.744 176.862 -1.118 25062 11348 1 16 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.354 -0.468 25062 11349 1 16 . 1 1 8 8 LEU CB C 8 42.496 42.496 40.837 1.659 25062 11350 1 16 . 1 1 8 8 LEU H H 8 9.069 9.069 8.746 0.323 25062 11351 1 16 . 1 1 9 9 THR N N 9 112.810 112.810 114.781 -1.971 25062 11352 1 16 . 1 1 9 9 THR HA H 9 4.959 4.959 4.898 0.061 25062 11353 1 16 . 1 1 9 9 THR C C 9 174.213 174.213 175.630 -1.417 25062 11354 1 16 . 1 1 9 9 THR CA C 9 59.948 59.948 59.595 0.353 25062 11355 1 16 . 1 1 9 9 THR CB C 9 70.756 70.756 71.888 -1.132 25062 11356 1 16 . 1 1 9 9 THR H H 9 8.028 8.028 8.688 -0.660 25062 11357 1 16 . 1 1 10 10 GLY N N 10 107.740 107.740 107.620 0.120 25062 11358 1 16 . 1 1 10 10 GLY C C 10 173.064 173.064 173.280 -0.216 25062 11359 1 16 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.689 -0.259 25062 11360 1 16 . 1 1 10 10 GLY H H 10 7.827 7.827 8.811 -0.984 25062 11361 1 16 . 1 1 11 11 ASP N N 11 119.119 119.119 117.227 1.892 25062 11362 1 16 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.676 0.177 25062 11363 1 16 . 1 1 11 11 ASP C C 11 176.118 176.118 175.167 0.951 25062 11364 1 16 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.033 -0.062 25062 11365 1 16 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.992 0.249 25062 11366 1 16 . 1 1 11 11 ASP H H 11 7.642 7.642 7.324 0.318 25062 11367 1 16 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.090 0.010 25062 11368 1 16 . 1 1 12 12 GLU C C 12 178.508 178.508 178.255 0.253 25062 11369 1 16 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.692 -0.228 25062 11370 1 16 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.743 -0.410 25062 11371 1 16 . 1 1 13 13 ARG N N 13 121.589 121.589 119.034 2.555 25062 11372 1 16 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.172 -0.035 25062 11373 1 16 . 1 1 13 13 ARG C C 13 179.625 179.625 178.435 1.190 25062 11374 1 16 . 1 1 13 13 ARG CA C 13 59.418 59.418 59.201 0.217 25062 11375 1 16 . 1 1 13 13 ARG CB C 13 29.355 29.355 30.103 -0.748 25062 11376 1 16 . 1 1 13 13 ARG H H 13 8.593 8.593 8.311 0.282 25062 11377 1 16 . 1 1 14 14 ILE N N 14 119.911 119.911 119.748 0.163 25062 11378 1 16 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.797 -0.147 25062 11379 1 16 . 1 1 14 14 ILE C C 14 177.727 177.727 177.468 0.259 25062 11380 1 16 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.746 0.412 25062 11381 1 16 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.602 -0.263 25062 11382 1 16 . 1 1 14 14 ILE H H 14 7.823 7.823 7.737 0.086 25062 11383 1 16 . 1 1 15 15 ALA N N 15 121.015 121.015 120.650 0.365 25062 11384 1 16 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.753 -0.034 25062 11385 1 16 . 1 1 15 15 ALA C C 15 178.994 178.994 179.065 -0.071 25062 11386 1 16 . 1 1 15 15 ALA CA C 15 55.890 55.890 54.788 1.102 25062 11387 1 16 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.618 0.233 25062 11388 1 16 . 1 1 15 15 ALA H H 15 7.610 7.610 7.652 -0.042 25062 11389 1 16 . 1 1 16 16 GLU N N 16 117.655 117.655 119.108 -1.453 25062 11390 1 16 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.824 0.310 25062 11391 1 16 . 1 1 16 16 GLU C C 16 178.517 178.517 178.606 -0.089 25062 11392 1 16 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.514 -1.235 25062 11393 1 16 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.412 -0.190 25062 11394 1 16 . 1 1 16 16 GLU H H 16 7.808 7.808 7.923 -0.115 25062 11395 1 16 . 1 1 17 17 GLU N N 17 119.648 119.648 118.949 0.699 25062 11396 1 16 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.051 0.003 25062 11397 1 16 . 1 1 17 17 GLU C C 17 180.213 180.213 179.477 0.736 25062 11398 1 16 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.887 0.347 25062 11399 1 16 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.247 -0.095 25062 11400 1 16 . 1 1 17 17 GLU H H 17 8.002 8.002 7.608 0.394 25062 11401 1 16 . 1 1 18 18 LEU N N 18 119.118 119.118 119.542 -0.424 25062 11402 1 16 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.053 0.047 25062 11403 1 16 . 1 1 18 18 LEU C C 18 178.233 178.233 178.673 -0.440 25062 11404 1 16 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.851 -0.045 25062 11405 1 16 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.582 -0.711 25062 11406 1 16 . 1 1 18 18 LEU H H 18 8.554 8.554 7.638 0.916 25062 11407 1 16 . 1 1 19 19 ARG N N 19 122.158 122.158 119.684 2.474 25062 11408 1 16 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.163 -0.348 25062 11409 1 16 . 1 1 19 19 ARG C C 19 178.686 178.686 178.509 0.177 25062 11410 1 16 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.407 1.510 25062 11411 1 16 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.769 -0.430 25062 11412 1 16 . 1 1 19 19 ARG H H 19 8.274 8.274 7.814 0.460 25062 11413 1 16 . 1 1 20 20 LYS N N 20 118.130 118.130 118.363 -0.233 25062 11414 1 16 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.015 -0.080 25062 11415 1 16 . 1 1 20 20 LYS C C 20 179.078 179.078 178.996 0.082 25062 11416 1 16 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.758 -0.005 25062 11417 1 16 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.118 0.322 25062 11418 1 16 . 1 1 20 20 LYS H H 20 7.977 7.977 8.137 -0.160 25062 11419 1 16 . 1 1 21 21 GLU N N 21 120.451 120.451 119.261 1.190 25062 11420 1 16 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.143 -0.088 25062 11421 1 16 . 1 1 21 21 GLU C C 21 178.995 178.995 179.067 -0.072 25062 11422 1 16 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.944 0.159 25062 11423 1 16 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.070 0.093 25062 11424 1 16 . 1 1 21 21 GLU H H 21 7.813 7.813 7.601 0.212 25062 11425 1 16 . 1 1 22 22 VAL N N 22 119.654 119.654 119.855 -0.201 25062 11426 1 16 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.579 -0.139 25062 11427 1 16 . 1 1 22 22 VAL C C 22 176.428 176.428 178.174 -1.746 25062 11428 1 16 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.505 -0.384 25062 11429 1 16 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.648 -0.195 25062 11430 1 16 . 1 1 22 22 VAL H H 22 8.146 8.146 8.092 0.054 25062 11431 1 16 . 1 1 23 23 GLN N N 23 116.884 116.884 118.330 -1.446 25062 11432 1 16 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.230 -0.278 25062 11433 1 16 . 1 1 23 23 GLN C C 23 177.429 177.429 178.294 -0.865 25062 11434 1 16 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.582 0.185 25062 11435 1 16 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.624 -0.073 25062 11436 1 16 . 1 1 23 23 GLN H H 23 7.588 7.588 7.570 0.018 25062 11437 1 16 . 1 1 24 24 LYS N N 24 116.529 116.529 116.895 -0.366 25062 11438 1 16 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.209 -0.213 25062 11439 1 16 . 1 1 24 24 LYS C C 24 177.508 177.508 177.945 -0.437 25062 11440 1 16 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.846 0.568 25062 11441 1 16 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.343 0.574 25062 11442 1 16 . 1 1 24 24 LYS H H 24 7.544 7.544 7.824 -0.280 25062 11443 1 16 . 1 1 25 25 HIS N N 25 119.657 119.657 117.979 1.678 25062 11444 1 16 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.460 -0.207 25062 11445 1 16 . 1 1 25 25 HIS C C 25 175.915 175.915 174.886 1.029 25062 11446 1 16 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.595 0.847 25062 11447 1 16 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.699 0.171 25062 11448 1 16 . 1 1 25 25 HIS H H 25 7.809 7.809 7.943 -0.134 25062 11449 1 16 . 1 1 26 26 ASP N N 26 113.221 113.221 118.099 -4.878 25062 11450 1 16 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.934 -0.199 25062 11451 1 16 . 1 1 26 26 ASP C C 26 173.856 173.856 174.402 -0.546 25062 11452 1 16 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.834 -0.164 25062 11453 1 16 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.846 -0.480 25062 11454 1 16 . 1 1 26 26 ASP H H 26 8.358 8.358 8.328 0.030 25062 11455 1 16 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.594 -0.028 25062 11456 1 16 . 1 1 27 27 PRO C C 27 176.845 176.845 176.445 0.400 25062 11457 1 16 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.581 0.296 25062 11458 1 16 . 1 1 27 27 PRO CB C 27 32.285 32.285 31.862 0.423 25062 11459 1 16 . 1 1 28 28 ASN N N 28 115.529 115.529 114.812 0.717 25062 11460 1 16 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.791 -0.119 25062 11461 1 16 . 1 1 28 28 ASN C C 28 175.632 175.632 175.296 0.336 25062 11462 1 16 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.279 0.536 25062 11463 1 16 . 1 1 28 28 ASN CB C 28 39.094 39.094 40.130 -1.036 25062 11464 1 16 . 1 1 28 28 ASN H H 28 8.570 8.570 8.097 0.473 25062 11465 1 16 . 1 1 29 29 VAL N N 29 121.867 121.867 122.543 -0.676 25062 11466 1 16 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.907 -0.023 25062 11467 1 16 . 1 1 29 29 VAL C C 29 175.085 175.085 175.868 -0.783 25062 11468 1 16 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.431 -0.256 25062 11469 1 16 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.924 0.074 25062 11470 1 16 . 1 1 29 29 VAL H H 29 7.465 7.465 7.424 0.041 25062 11471 1 16 . 1 1 30 30 LYS N N 30 130.242 130.242 127.694 2.548 25062 11472 1 16 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.264 0.170 25062 11473 1 16 . 1 1 30 30 LYS C C 30 175.093 175.093 175.984 -0.891 25062 11474 1 16 . 1 1 30 30 LYS CA C 30 55.373 55.373 56.656 -1.283 25062 11475 1 16 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.378 -0.951 25062 11476 1 16 . 1 1 30 30 LYS H H 30 9.036 9.036 8.004 1.032 25062 11477 1 16 . 1 1 31 31 THR N N 31 113.173 113.173 113.910 -0.737 25062 11478 1 16 . 1 1 31 31 THR HA H 31 5.688 5.688 5.371 0.317 25062 11479 1 16 . 1 1 31 31 THR C C 31 174.708 174.708 173.375 1.333 25062 11480 1 16 . 1 1 31 31 THR CA C 31 58.537 58.537 59.654 -1.117 25062 11481 1 16 . 1 1 31 31 THR CB C 31 71.419 71.419 70.905 0.514 25062 11482 1 16 . 1 1 31 31 THR H H 31 8.185 8.185 8.219 -0.034 25062 11483 1 16 . 1 1 32 32 VAL N N 32 122.168 122.168 125.007 -2.839 25062 11484 1 16 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.628 0.267 25062 11485 1 16 . 1 1 32 32 VAL C C 32 173.388 173.388 174.272 -0.884 25062 11486 1 16 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.626 0.107 25062 11487 1 16 . 1 1 32 32 VAL CB C 32 33.904 33.904 33.953 -0.049 25062 11488 1 16 . 1 1 32 32 VAL H H 32 8.968 8.968 8.364 0.604 25062 11489 1 16 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.857 0.117 25062 11490 1 16 . 1 1 33 33 PRO C C 33 177.848 177.848 178.042 -0.194 25062 11491 1 16 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.968 -0.626 25062 11492 1 16 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.329 0.692 25062 11493 1 16 . 1 1 34 34 THR N N 34 114.266 114.266 111.364 2.902 25062 11494 1 16 . 1 1 34 34 THR HA H 34 4.118 4.118 4.253 -0.135 25062 11495 1 16 . 1 1 34 34 THR C C 34 176.879 176.879 176.740 0.139 25062 11496 1 16 . 1 1 34 34 THR CA C 34 64.607 64.607 65.052 -0.445 25062 11497 1 16 . 1 1 34 34 THR CB C 34 68.311 68.311 68.801 -0.490 25062 11498 1 16 . 1 1 34 34 THR H H 34 9.033 9.033 8.564 0.469 25062 11499 1 16 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.066 0.179 25062 11500 1 16 . 1 1 35 35 LYS C C 35 176.639 176.639 177.982 -1.343 25062 11501 1 16 . 1 1 35 35 LYS CA C 35 58.134 58.134 59.183 -1.049 25062 11502 1 16 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.352 -0.049 25062 11503 1 16 . 1 1 36 36 ASP N N 36 120.993 120.993 119.207 1.786 25062 11504 1 16 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.810 0.205 25062 11505 1 16 . 1 1 36 36 ASP C C 36 176.202 176.202 175.710 0.492 25062 11506 1 16 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.086 -0.650 25062 11507 1 16 . 1 1 36 36 ASP CB C 36 41.110 41.110 39.286 1.824 25062 11508 1 16 . 1 1 36 36 ASP H H 36 7.726 7.726 7.901 -0.175 25062 11509 1 16 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.921 0.067 25062 11510 1 16 . 1 1 37 37 LYS C C 37 177.948 177.948 178.081 -0.133 25062 11511 1 16 . 1 1 37 37 LYS CA C 37 59.308 59.308 60.015 -0.707 25062 11512 1 16 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.638 0.210 25062 11513 1 16 . 1 1 38 38 GLU N N 38 119.141 119.141 118.750 0.391 25062 11514 1 16 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.127 0.123 25062 11515 1 16 . 1 1 38 38 GLU C C 38 178.054 178.054 178.685 -0.631 25062 11516 1 16 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.367 -0.865 25062 11517 1 16 . 1 1 38 38 GLU CB C 38 29.207 29.207 28.788 0.419 25062 11518 1 16 . 1 1 38 38 GLU H H 38 8.883 8.883 8.585 0.298 25062 11519 1 16 . 1 1 39 39 LYS N N 39 118.440 118.440 118.288 0.152 25062 11520 1 16 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.336 0.171 25062 11521 1 16 . 1 1 39 39 LYS C C 39 177.126 177.126 178.875 -1.749 25062 11522 1 16 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.102 -1.794 25062 11523 1 16 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.522 0.902 25062 11524 1 16 . 1 1 39 39 LYS H H 39 8.064 8.064 8.260 -0.196 25062 11525 1 16 . 1 1 40 40 VAL N N 40 118.130 118.130 121.456 -3.326 25062 11526 1 16 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.527 -0.132 25062 11527 1 16 . 1 1 40 40 VAL C C 40 176.934 176.934 177.629 -0.695 25062 11528 1 16 . 1 1 40 40 VAL CA C 40 67.621 67.621 67.198 0.423 25062 11529 1 16 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.169 0.485 25062 11530 1 16 . 1 1 40 40 VAL H H 40 7.308 7.308 7.857 -0.549 25062 11531 1 16 . 1 1 41 41 LYS N N 41 118.555 118.555 118.830 -0.275 25062 11532 1 16 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.838 -0.195 25062 11533 1 16 . 1 1 41 41 LYS C C 41 178.363 178.363 178.787 -0.424 25062 11534 1 16 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.465 1.822 25062 11535 1 16 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.887 -0.433 25062 11536 1 16 . 1 1 41 41 LYS H H 41 8.150 8.150 7.592 0.558 25062 11537 1 16 . 1 1 42 42 GLU N N 42 119.454 119.454 118.738 0.716 25062 11538 1 16 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.060 0.038 25062 11539 1 16 . 1 1 42 42 GLU C C 42 179.552 179.552 179.208 0.344 25062 11540 1 16 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.525 -0.269 25062 11541 1 16 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.206 0.388 25062 11542 1 16 . 1 1 42 42 GLU H H 42 8.067 8.067 7.895 0.172 25062 11543 1 16 . 1 1 43 43 GLU N N 43 118.427 118.427 118.882 -0.455 25062 11544 1 16 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.192 0.103 25062 11545 1 16 . 1 1 43 43 GLU C C 43 180.076 180.076 179.324 0.752 25062 11546 1 16 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.076 0.379 25062 11547 1 16 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.195 -0.550 25062 11548 1 16 . 1 1 43 43 GLU H H 43 8.189 8.189 8.018 0.171 25062 11549 1 16 . 1 1 44 44 ILE N N 44 122.905 122.905 121.730 1.175 25062 11550 1 16 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.613 0.022 25062 11551 1 16 . 1 1 44 44 ILE C C 44 176.828 176.828 177.472 -0.644 25062 11552 1 16 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.251 0.146 25062 11553 1 16 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.901 -0.361 25062 11554 1 16 . 1 1 44 44 ILE H H 44 8.734 8.734 8.365 0.369 25062 11555 1 16 . 1 1 45 45 GLU N N 45 120.098 120.098 119.646 0.452 25062 11556 1 16 . 1 1 45 45 GLU HA H 45 4.139 4.139 3.941 0.198 25062 11557 1 16 . 1 1 45 45 GLU C C 45 178.930 178.930 178.619 0.311 25062 11558 1 16 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.453 0.036 25062 11559 1 16 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.601 -0.453 25062 11560 1 16 . 1 1 45 45 GLU H H 45 8.099 8.099 7.808 0.291 25062 11561 1 16 . 1 1 46 46 LYS N N 46 118.360 118.360 119.526 -1.166 25062 11562 1 16 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.025 -0.016 25062 11563 1 16 . 1 1 46 46 LYS C C 46 178.775 178.775 178.623 0.152 25062 11564 1 16 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.402 0.500 25062 11565 1 16 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.422 0.279 25062 11566 1 16 . 1 1 46 46 LYS H H 46 7.854 7.854 7.871 -0.017 25062 11567 1 16 . 1 1 47 47 ALA N N 47 122.551 122.551 122.021 0.530 25062 11568 1 16 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.006 0.122 25062 11569 1 16 . 1 1 47 47 ALA C C 47 180.095 180.095 179.804 0.291 25062 11570 1 16 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.224 0.179 25062 11571 1 16 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.568 -0.863 25062 11572 1 16 . 1 1 47 47 ALA H H 47 8.135 8.135 7.822 0.313 25062 11573 1 16 . 1 1 48 48 ARG N N 48 118.945 118.945 117.523 1.422 25062 11574 1 16 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.241 -0.184 25062 11575 1 16 . 1 1 48 48 ARG C C 48 179.960 179.960 178.576 1.384 25062 11576 1 16 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.405 0.882 25062 11577 1 16 . 1 1 48 48 ARG CB C 48 29.452 29.452 29.752 -0.299 25062 11578 1 16 . 1 1 48 48 ARG H H 48 8.655 8.655 7.992 0.663 25062 11579 1 16 . 1 1 49 49 LYS N N 49 119.557 119.557 119.683 -0.126 25062 11580 1 16 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.148 -0.091 25062 11581 1 16 . 1 1 49 49 LYS C C 49 178.288 178.288 178.271 0.017 25062 11582 1 16 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.468 0.502 25062 11583 1 16 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.138 0.515 25062 11584 1 16 . 1 1 49 49 LYS H H 49 8.058 8.058 7.619 0.439 25062 11585 1 16 . 1 1 50 50 GLN N N 50 115.215 115.215 115.242 -0.027 25062 11586 1 16 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.422 -0.045 25062 11587 1 16 . 1 1 50 50 GLN C C 50 176.439 176.439 176.481 -0.042 25062 11588 1 16 . 1 1 50 50 GLN CA C 50 55.973 55.973 54.910 1.062 25062 11589 1 16 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.364 0.444 25062 11590 1 16 . 1 1 50 50 GLN H H 50 7.938 7.938 7.595 0.343 25062 11591 1 16 . 1 1 51 51 GLY N N 51 109.413 109.413 108.603 0.810 25062 11592 1 16 . 1 1 51 51 GLY C C 51 174.570 174.570 174.000 0.570 25062 11593 1 16 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.532 1.063 25062 11594 1 16 . 1 1 51 51 GLY H H 51 8.070 8.070 7.723 0.347 25062 11595 1 16 . 1 1 52 52 ARG N N 52 119.414 119.414 119.061 0.353 25062 11596 1 16 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.884 0.018 25062 11597 1 16 . 1 1 52 52 ARG C C 52 173.093 173.093 173.887 -0.794 25062 11598 1 16 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.473 0.504 25062 11599 1 16 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.657 0.753 25062 11600 1 16 . 1 1 52 52 ARG H H 52 7.950 7.950 7.955 -0.005 25062 11601 1 16 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.027 0.047 25062 11602 1 16 . 1 1 53 53 PRO C C 53 174.179 174.179 175.736 -1.557 25062 11603 1 16 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.252 -0.275 25062 11604 1 16 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.044 -0.510 25062 11605 1 16 . 1 1 54 54 ILE N N 54 115.161 115.161 118.885 -3.724 25062 11606 1 16 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.586 0.372 25062 11607 1 16 . 1 1 54 54 ILE C C 54 172.097 172.097 173.406 -1.309 25062 11608 1 16 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.102 -1.329 25062 11609 1 16 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.635 0.100 25062 11610 1 16 . 1 1 54 54 ILE H H 54 7.718 7.718 8.399 -0.681 25062 11611 1 16 . 1 1 55 55 VAL N N 55 126.019 126.019 129.897 -3.878 25062 11612 1 16 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.478 0.402 25062 11613 1 16 . 1 1 55 55 VAL C C 55 173.844 173.844 174.814 -0.970 25062 11614 1 16 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.253 -0.960 25062 11615 1 16 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.564 1.704 25062 11616 1 16 . 1 1 55 55 VAL H H 55 8.352 8.352 8.829 -0.477 25062 11617 1 16 . 1 1 56 56 VAL N N 56 127.584 127.584 128.081 -0.497 25062 11618 1 16 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.264 0.177 25062 11619 1 16 . 1 1 56 56 VAL C C 56 173.968 173.968 174.753 -0.785 25062 11620 1 16 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.925 -1.382 25062 11621 1 16 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.908 1.472 25062 11622 1 16 . 1 1 56 56 VAL H H 56 9.291 9.291 8.642 0.649 25062 11623 1 16 . 1 1 57 57 PHE N N 57 125.432 125.432 125.803 -0.371 25062 11624 1 16 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.176 -0.246 25062 11625 1 16 . 1 1 57 57 PHE C C 57 174.987 174.987 174.949 0.038 25062 11626 1 16 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.367 1.841 25062 11627 1 16 . 1 1 57 57 PHE CB C 57 39.886 39.886 40.062 -0.176 25062 11628 1 16 . 1 1 57 57 PHE H H 57 8.585 8.585 8.807 -0.222 25062 11629 1 16 . 1 1 58 58 VAL N N 58 123.763 123.763 121.713 2.050 25062 11630 1 16 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.445 -0.243 25062 11631 1 16 . 1 1 58 58 VAL C C 58 174.791 174.791 175.254 -0.463 25062 11632 1 16 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.267 0.614 25062 11633 1 16 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.649 -0.937 25062 11634 1 16 . 1 1 58 58 VAL H H 58 9.008 9.008 8.930 0.078 25062 11635 1 16 . 1 1 59 59 ARG N N 59 127.924 127.924 123.114 4.810 25062 11636 1 16 . 1 1 59 59 ARG HA H 59 4.582 4.582 5.119 -0.537 25062 11637 1 16 . 1 1 59 59 ARG C C 59 177.755 177.755 178.455 -0.700 25062 11638 1 16 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.834 0.703 25062 11639 1 16 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.321 -0.808 25062 11640 1 16 . 1 1 59 59 ARG H H 59 8.820 8.820 8.539 0.281 25062 11641 1 16 . 1 1 60 60 GLY N N 60 110.441 110.441 110.065 0.376 25062 11642 1 16 . 1 1 60 60 GLY C C 60 174.818 174.818 175.170 -0.352 25062 11643 1 16 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.724 0.265 25062 11644 1 16 . 1 1 60 60 GLY H H 60 8.200 8.200 8.438 -0.238 25062 11645 1 16 . 1 1 61 61 GLY N N 61 109.411 109.411 106.769 2.642 25062 11646 1 16 . 1 1 61 61 GLY C C 61 174.550 174.550 174.445 0.105 25062 11647 1 16 . 1 1 61 61 GLY CA C 61 45.431 45.431 44.749 0.681 25062 11648 1 16 . 1 1 61 61 GLY H H 61 7.995 7.995 8.515 -0.520 25062 11649 1 16 . 1 1 62 62 ASP N N 62 122.920 122.920 120.491 2.429 25062 11650 1 16 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.957 0.064 25062 11651 1 16 . 1 1 62 62 ASP C C 62 176.247 176.247 175.791 0.456 25062 11652 1 16 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.207 -0.680 25062 11653 1 16 . 1 1 62 62 ASP CB C 62 39.815 39.815 42.080 -2.265 25062 11654 1 16 . 1 1 62 62 ASP H H 62 8.090 8.090 7.567 0.523 25062 11655 1 16 . 1 1 63 63 ASP N N 63 121.058 121.058 120.796 0.262 25062 11656 1 16 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.305 -0.039 25062 11657 1 16 . 1 1 63 63 ASP C C 63 178.418 178.418 177.616 0.802 25062 11658 1 16 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.321 0.020 25062 11659 1 16 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.216 0.356 25062 11660 1 16 . 1 1 63 63 ASP H H 63 8.023 8.023 8.031 -0.008 25062 11661 1 16 . 1 1 64 64 GLU N N 64 119.564 119.564 118.719 0.845 25062 11662 1 16 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.936 0.115 25062 11663 1 16 . 1 1 64 64 GLU C C 64 178.321 178.321 178.717 -0.396 25062 11664 1 16 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.740 -0.358 25062 11665 1 16 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.207 -0.163 25062 11666 1 16 . 1 1 64 64 GLU H H 64 8.760 8.760 8.813 -0.053 25062 11667 1 16 . 1 1 65 65 ARG N N 65 119.839 119.839 119.904 -0.065 25062 11668 1 16 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.009 0.187 25062 11669 1 16 . 1 1 65 65 ARG C C 65 178.305 178.305 178.222 0.083 25062 11670 1 16 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.178 -0.126 25062 11671 1 16 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.953 0.684 25062 11672 1 16 . 1 1 65 65 ARG H H 65 7.643 7.643 7.739 -0.096 25062 11673 1 16 . 1 1 66 66 ALA N N 66 118.984 118.984 121.803 -2.819 25062 11674 1 16 . 1 1 66 66 ALA HA H 66 3.866 3.866 3.951 -0.085 25062 11675 1 16 . 1 1 66 66 ALA C C 66 178.638 178.638 179.463 -0.825 25062 11676 1 16 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.475 -0.009 25062 11677 1 16 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.548 -0.187 25062 11678 1 16 . 1 1 66 66 ALA H H 66 7.782 7.782 7.684 0.098 25062 11679 1 16 . 1 1 67 67 LYS N N 67 117.711 117.711 117.088 0.623 25062 11680 1 16 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.039 -0.020 25062 11681 1 16 . 1 1 67 67 LYS C C 67 178.363 178.363 179.089 -0.726 25062 11682 1 16 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.421 0.152 25062 11683 1 16 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.058 0.166 25062 11684 1 16 . 1 1 67 67 LYS H H 67 8.010 8.010 7.838 0.172 25062 11685 1 16 . 1 1 68 68 ASP N N 68 119.581 119.581 121.208 -1.627 25062 11686 1 16 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.528 -0.114 25062 11687 1 16 . 1 1 68 68 ASP C C 68 179.235 179.235 178.571 0.664 25062 11688 1 16 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.870 -0.376 25062 11689 1 16 . 1 1 68 68 ASP CB C 68 41.387 41.387 41.118 0.269 25062 11690 1 16 . 1 1 68 68 ASP H H 68 7.999 7.999 7.732 0.267 25062 11691 1 16 . 1 1 69 69 ILE N N 69 119.307 119.307 120.352 -1.045 25062 11692 1 16 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.775 -0.182 25062 11693 1 16 . 1 1 69 69 ILE C C 69 176.927 176.927 177.753 -0.826 25062 11694 1 16 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.814 0.412 25062 11695 1 16 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.728 0.135 25062 11696 1 16 . 1 1 69 69 ILE H H 69 8.283 8.283 8.171 0.112 25062 11697 1 16 . 1 1 70 70 ALA N N 70 121.395 121.395 122.220 -0.825 25062 11698 1 16 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.702 0.030 25062 11699 1 16 . 1 1 70 70 ALA C C 70 178.770 178.770 178.965 -0.195 25062 11700 1 16 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.107 0.434 25062 11701 1 16 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.392 0.752 25062 11702 1 16 . 1 1 70 70 ALA H H 70 8.200 8.200 8.144 0.056 25062 11703 1 16 . 1 1 71 71 GLU N N 71 116.210 116.210 120.024 -3.814 25062 11704 1 16 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.195 -0.049 25062 11705 1 16 . 1 1 71 71 GLU C C 71 179.215 179.215 178.785 0.430 25062 11706 1 16 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.234 0.198 25062 11707 1 16 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.822 -0.238 25062 11708 1 16 . 1 1 71 71 GLU H H 71 8.402 8.402 7.843 0.559 25062 11709 1 16 . 1 1 72 72 TYR N N 72 121.372 121.372 120.626 0.746 25062 11710 1 16 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.175 0.027 25062 11711 1 16 . 1 1 72 72 TYR C C 72 176.699 176.699 177.126 -0.427 25062 11712 1 16 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.135 0.171 25062 11713 1 16 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.388 -0.149 25062 11714 1 16 . 1 1 72 72 TYR H H 72 8.031 8.031 7.947 0.084 25062 11715 1 16 . 1 1 73 73 ALA N N 73 119.994 119.994 120.416 -0.422 25062 11716 1 16 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.749 -0.138 25062 11717 1 16 . 1 1 73 73 ALA C C 73 178.786 178.786 179.443 -0.657 25062 11718 1 16 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.084 0.087 25062 11719 1 16 . 1 1 73 73 ALA CB C 73 18.501 18.501 17.974 0.527 25062 11720 1 16 . 1 1 73 73 ALA H H 73 8.588 8.588 8.249 0.339 25062 11721 1 16 . 1 1 74 74 GLN N N 74 116.775 116.775 118.688 -1.913 25062 11722 1 16 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.049 0.258 25062 11723 1 16 . 1 1 74 74 GLN C C 74 180.672 180.672 177.964 2.708 25062 11724 1 16 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.474 0.702 25062 11725 1 16 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.881 0.316 25062 11726 1 16 . 1 1 74 74 GLN H H 74 8.382 8.382 7.999 0.383 25062 11727 1 16 . 1 1 75 75 LYS N N 75 122.969 122.969 119.202 3.767 25062 11728 1 16 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.057 -0.001 25062 11729 1 16 . 1 1 75 75 LYS C C 75 178.547 178.547 178.619 -0.072 25062 11730 1 16 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.722 0.505 25062 11731 1 16 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.283 -0.520 25062 11732 1 16 . 1 1 75 75 LYS H H 75 8.248 8.248 7.511 0.737 25062 11733 1 16 . 1 1 76 76 GLU N N 76 117.058 117.058 115.034 2.024 25062 11734 1 16 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.177 -0.082 25062 11735 1 16 . 1 1 76 76 GLU C C 76 176.070 176.070 176.543 -0.473 25062 11736 1 16 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.922 -0.064 25062 11737 1 16 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.682 0.116 25062 11738 1 16 . 1 1 76 76 GLU H H 76 7.522 7.522 7.572 -0.050 25062 11739 1 16 . 1 1 77 77 GLY N N 77 106.537 106.537 107.366 -0.829 25062 11740 1 16 . 1 1 77 77 GLY C C 77 174.570 174.570 174.246 0.324 25062 11741 1 16 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.487 -0.008 25062 11742 1 16 . 1 1 77 77 GLY H H 77 7.797 7.797 7.565 0.232 25062 11743 1 16 . 1 1 78 78 LEU N N 78 121.257 121.257 118.399 2.858 25062 11744 1 16 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.601 -0.195 25062 11745 1 16 . 1 1 78 78 LEU C C 78 176.139 176.139 176.470 -0.331 25062 11746 1 16 . 1 1 78 78 LEU CA C 78 54.304 54.304 52.997 1.307 25062 11747 1 16 . 1 1 78 78 LEU CB C 78 42.112 42.112 44.261 -2.149 25062 11748 1 16 . 1 1 78 78 LEU H H 78 8.008 8.008 7.655 0.353 25062 11749 1 16 . 1 1 79 79 ARG N N 79 121.135 121.135 121.665 -0.530 25062 11750 1 16 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.335 0.069 25062 11751 1 16 . 1 1 79 79 ARG C C 79 174.598 174.598 175.563 -0.965 25062 11752 1 16 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.102 0.782 25062 11753 1 16 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.583 1.784 25062 11754 1 16 . 1 1 79 79 ARG H H 79 8.062 8.062 8.086 -0.024 25062 11755 1 16 . 1 1 80 80 VAL N N 80 123.517 123.517 126.490 -2.973 25062 11756 1 16 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.493 0.272 25062 11757 1 16 . 1 1 80 80 VAL C C 80 175.373 175.373 174.840 0.533 25062 11758 1 16 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.939 -0.302 25062 11759 1 16 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.554 1.449 25062 11760 1 16 . 1 1 80 80 VAL H H 80 8.377 8.377 8.549 -0.172 25062 11761 1 16 . 1 1 81 81 ILE N N 81 129.083 129.083 130.001 -0.918 25062 11762 1 16 . 1 1 81 81 ILE HA H 81 4.883 4.883 5.036 -0.153 25062 11763 1 16 . 1 1 81 81 ILE C C 81 173.899 173.899 174.910 -1.011 25062 11764 1 16 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.329 0.397 25062 11765 1 16 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.739 1.343 25062 11766 1 16 . 1 1 81 81 ILE H H 81 8.812 8.812 8.751 0.061 25062 11767 1 16 . 1 1 82 82 VAL N N 82 126.531 126.531 129.211 -2.680 25062 11768 1 16 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.661 0.326 25062 11769 1 16 . 1 1 82 82 VAL C C 82 174.164 174.164 175.022 -0.858 25062 11770 1 16 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.671 -1.347 25062 11771 1 16 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.562 1.855 25062 11772 1 16 . 1 1 82 82 VAL H H 82 9.085 9.085 8.574 0.511 25062 11773 1 16 . 1 1 83 83 ILE N N 83 127.143 127.143 129.273 -2.130 25062 11774 1 16 . 1 1 83 83 ILE HA H 83 4.904 4.904 5.013 -0.109 25062 11775 1 16 . 1 1 83 83 ILE C C 83 174.044 174.044 175.416 -1.372 25062 11776 1 16 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.309 -0.293 25062 11777 1 16 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.114 0.702 25062 11778 1 16 . 1 1 83 83 ILE H H 83 9.391 9.391 8.576 0.815 25062 11779 1 16 . 1 1 84 84 ILE N N 84 126.750 126.750 128.419 -1.669 25062 11780 1 16 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.829 -0.383 25062 11781 1 16 . 1 1 84 84 ILE C C 84 174.788 174.788 175.861 -1.073 25062 11782 1 16 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.150 0.902 25062 11783 1 16 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.846 0.187 25062 11784 1 16 . 1 1 84 84 ILE H H 84 8.714 8.714 8.799 -0.085 25062 11785 1 16 . 1 1 85 85 VAL N N 85 127.160 127.160 129.053 -1.893 25062 11786 1 16 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.779 0.200 25062 11787 1 16 . 1 1 85 85 VAL C C 85 176.539 176.539 174.446 2.093 25062 11788 1 16 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.225 -1.163 25062 11789 1 16 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.621 -0.747 25062 11790 1 16 . 1 1 85 85 VAL H H 85 8.464 8.464 8.874 -0.410 25062 11791 1 16 . 1 1 86 86 SER N N 86 121.723 121.723 120.677 1.046 25062 11792 1 16 . 1 1 86 86 SER HA H 86 4.490 4.490 4.847 -0.357 25062 11793 1 16 . 1 1 86 86 SER C C 86 172.447 172.447 173.714 -1.267 25062 11794 1 16 . 1 1 86 86 SER CA C 86 58.131 58.131 57.119 1.012 25062 11795 1 16 . 1 1 86 86 SER CB C 86 64.121 64.121 65.830 -1.709 25062 11796 1 16 . 1 1 86 86 SER H H 86 8.725 8.725 7.951 0.774 25062 11797 1 16 . 1 1 87 87 GLN N N 87 121.657 121.657 122.334 -0.677 25062 11798 1 16 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.205 0.364 25062 11799 1 16 . 1 1 87 87 GLN C C 87 175.732 175.732 175.886 -0.154 25062 11800 1 16 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.083 -0.657 25062 11801 1 16 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.249 -0.130 25062 11802 1 16 . 1 1 87 87 GLN H H 87 8.516 8.516 8.677 -0.161 25062 11803 1 16 . 1 1 88 88 ASP N N 88 121.146 121.146 122.551 -1.405 25062 11804 1 16 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.681 0.019 25062 11805 1 16 . 1 1 88 88 ASP C C 88 175.752 175.752 176.042 -0.290 25062 11806 1 16 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.395 -1.316 25062 11807 1 16 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.152 0.051 25062 11808 1 16 . 1 1 88 88 ASP H H 88 8.459 8.459 7.725 0.734 25062 11809 1 16 . 1 1 89 89 GLU N N 89 125.736 125.736 125.525 0.211 25062 11810 1 16 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.936 -0.002 25062 11811 1 16 . 1 1 89 89 GLU C C 89 178.820 178.820 177.864 0.956 25062 11812 1 16 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.797 -0.253 25062 11813 1 16 . 1 1 89 89 GLU CB C 89 29.627 29.627 30.038 -0.411 25062 11814 1 16 . 1 1 89 89 GLU H H 89 8.840 8.840 8.646 0.194 25062 11815 1 16 . 1 1 90 90 GLU N N 90 119.813 119.813 119.316 0.497 25062 11816 1 16 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.070 0.166 25062 11817 1 16 . 1 1 90 90 GLU C C 90 178.385 178.385 178.262 0.123 25062 11818 1 16 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.350 -0.543 25062 11819 1 16 . 1 1 90 90 GLU CB C 90 29.177 29.177 28.773 0.404 25062 11820 1 16 . 1 1 90 90 GLU H H 90 8.300 8.300 8.783 -0.483 25062 11821 1 16 . 1 1 91 91 ALA N N 91 123.211 123.211 122.263 0.948 25062 11822 1 16 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.207 -0.076 25062 11823 1 16 . 1 1 91 91 ALA C C 91 181.895 181.895 179.642 2.253 25062 11824 1 16 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.537 0.163 25062 11825 1 16 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.153 -0.272 25062 11826 1 16 . 1 1 91 91 ALA H H 91 7.670 7.670 8.011 -0.341 25062 11827 1 16 . 1 1 92 92 LEU N N 92 118.903 118.903 119.229 -0.326 25062 11828 1 16 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.937 0.068 25062 11829 1 16 . 1 1 92 92 LEU C C 92 177.951 177.951 179.075 -1.124 25062 11830 1 16 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.931 0.019 25062 11831 1 16 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.469 0.713 25062 11832 1 16 . 1 1 92 92 LEU H H 92 8.190 8.190 8.006 0.184 25062 11833 1 16 . 1 1 93 93 ARG N N 93 118.916 118.916 119.381 -0.465 25062 11834 1 16 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.019 0.079 25062 11835 1 16 . 1 1 93 93 ARG C C 93 178.775 178.775 178.461 0.314 25062 11836 1 16 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.858 -0.515 25062 11837 1 16 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.153 -0.008 25062 11838 1 16 . 1 1 93 93 ARG H H 93 7.868 7.868 8.243 -0.375 25062 11839 1 16 . 1 1 94 94 LYS N N 94 118.989 118.989 119.013 -0.024 25062 11840 1 16 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.054 0.003 25062 11841 1 16 . 1 1 94 94 LYS C C 94 179.270 179.270 179.027 0.243 25062 11842 1 16 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.611 -0.376 25062 11843 1 16 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.256 0.178 25062 11844 1 16 . 1 1 94 94 LYS H H 94 8.236 8.236 7.745 0.491 25062 11845 1 16 . 1 1 95 95 GLY N N 95 107.084 107.084 106.099 0.985 25062 11846 1 16 . 1 1 95 95 GLY C C 95 175.285 175.285 176.184 -0.899 25062 11847 1 16 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.757 0.288 25062 11848 1 16 . 1 1 95 95 GLY H H 95 8.296 8.296 8.108 0.188 25062 11849 1 16 . 1 1 96 96 TYR N N 96 121.591 121.591 123.567 -1.976 25062 11850 1 16 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.180 -0.134 25062 11851 1 16 . 1 1 96 96 TYR C C 96 176.428 176.428 177.494 -1.066 25062 11852 1 16 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.767 0.677 25062 11853 1 16 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.594 -0.004 25062 11854 1 16 . 1 1 96 96 TYR H H 96 8.372 8.372 8.118 0.254 25062 11855 1 16 . 1 1 97 97 GLU N N 97 117.883 117.883 118.056 -0.173 25062 11856 1 16 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.639 0.192 25062 11857 1 16 . 1 1 97 97 GLU C C 97 178.775 178.775 178.474 0.301 25062 11858 1 16 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.327 -0.078 25062 11859 1 16 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.443 0.099 25062 11860 1 16 . 1 1 97 97 GLU H H 97 8.205 8.205 7.850 0.355 25062 11861 1 16 . 1 1 98 98 ASP N N 98 117.644 117.644 119.841 -2.197 25062 11862 1 16 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.334 0.011 25062 11863 1 16 . 1 1 98 98 ASP C C 98 177.978 177.978 178.292 -0.314 25062 11864 1 16 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.197 -0.084 25062 11865 1 16 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.890 1.101 25062 11866 1 16 . 1 1 98 98 ASP H H 98 8.139 8.139 8.113 0.026 25062 11867 1 16 . 1 1 99 99 LYS N N 99 116.691 116.691 117.952 -1.261 25062 11868 1 16 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.211 -0.187 25062 11869 1 16 . 1 1 99 99 LYS C C 99 178.061 178.061 178.905 -0.844 25062 11870 1 16 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.361 -0.355 25062 11871 1 16 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.595 -0.219 25062 11872 1 16 . 1 1 99 99 LYS H H 99 7.886 7.886 7.487 0.399 25062 11873 1 16 . 1 1 100 100 LYS N N 100 120.645 120.645 120.574 0.071 25062 11874 1 16 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.212 -0.138 25062 11875 1 16 . 1 1 100 100 LYS C C 100 180.486 180.486 178.527 1.959 25062 11876 1 16 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.699 -0.516 25062 11877 1 16 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.981 -0.615 25062 11878 1 16 . 1 1 100 100 LYS H H 100 8.395 8.395 7.640 0.755 25062 11879 1 16 . 1 1 101 101 LYS N N 101 119.297 119.297 118.535 0.762 25062 11880 1 16 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.005 0.077 25062 11881 1 16 . 1 1 101 101 LYS C C 101 177.669 177.669 178.323 -0.654 25062 11882 1 16 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.515 -0.049 25062 11883 1 16 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.413 -0.168 25062 11884 1 16 . 1 1 101 101 LYS H H 101 7.713 7.713 7.937 -0.224 25062 11885 1 16 . 1 1 102 102 LYS N N 102 116.847 116.847 116.541 0.306 25062 11886 1 16 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.117 -0.024 25062 11887 1 16 . 1 1 102 102 LYS C C 102 176.357 176.357 176.227 0.130 25062 11888 1 16 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.732 0.057 25062 11889 1 16 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.260 -0.257 25062 11890 1 16 . 1 1 102 102 LYS H H 102 7.124 7.124 7.256 -0.132 25062 11891 1 16 . 1 1 103 103 GLY N N 103 105.781 105.781 106.394 -0.613 25062 11892 1 16 . 1 1 103 103 GLY C C 103 174.378 174.378 174.254 0.124 25062 11893 1 16 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.939 0.115 25062 11894 1 16 . 1 1 103 103 GLY H H 103 7.771 7.771 7.252 0.519 25062 11895 1 16 . 1 1 104 104 TYR N N 104 119.257 119.257 118.066 1.191 25062 11896 1 16 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.634 0.304 25062 11897 1 16 . 1 1 104 104 TYR C C 104 175.223 175.223 175.250 -0.027 25062 11898 1 16 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.022 -0.571 25062 11899 1 16 . 1 1 104 104 TYR CB C 104 37.745 37.745 40.423 -2.678 25062 11900 1 16 . 1 1 104 104 TYR H H 104 6.914 6.914 7.373 -0.459 25062 11901 1 16 . 1 1 105 105 ASP N N 105 122.574 122.574 125.015 -2.441 25062 11902 1 16 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.707 0.074 25062 11903 1 16 . 1 1 105 105 ASP C C 105 174.818 174.818 175.244 -0.426 25062 11904 1 16 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.299 -1.084 25062 11905 1 16 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.675 1.126 25062 11906 1 16 . 1 1 105 105 ASP H H 105 8.223 8.223 8.711 -0.488 25062 11907 1 16 . 1 1 106 106 VAL N N 106 121.990 121.990 122.856 -0.866 25062 11908 1 16 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.916 0.341 25062 11909 1 16 . 1 1 106 106 VAL C C 106 173.835 173.835 175.601 -1.766 25062 11910 1 16 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.445 -1.403 25062 11911 1 16 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.363 1.016 25062 11912 1 16 . 1 1 106 106 VAL H H 106 7.876 7.876 7.927 -0.051 25062 11913 1 16 . 1 1 107 107 TYR N N 107 125.444 125.444 126.751 -1.307 25062 11914 1 16 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.857 0.150 25062 11915 1 16 . 1 1 107 107 TYR C C 107 174.765 174.765 174.923 -0.158 25062 11916 1 16 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.602 -0.537 25062 11917 1 16 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.145 -0.256 25062 11918 1 16 . 1 1 107 107 TYR H H 107 9.400 9.400 9.417 -0.017 25062 11919 1 16 . 1 1 108 108 THR N N 108 111.100 111.100 115.035 -3.935 25062 11920 1 16 . 1 1 108 108 THR HA H 108 5.212 5.212 5.151 0.061 25062 11921 1 16 . 1 1 108 108 THR C C 108 174.350 174.350 173.592 0.758 25062 11922 1 16 . 1 1 108 108 THR CA C 108 59.514 59.514 59.865 -0.351 25062 11923 1 16 . 1 1 108 108 THR CB C 108 70.911 70.911 70.543 0.368 25062 11924 1 16 . 1 1 108 108 THR H H 108 8.801 8.801 8.319 0.482 25062 11925 1 16 . 1 1 109 109 SER N N 109 114.650 114.650 118.953 -4.303 25062 11926 1 16 . 1 1 109 109 SER HA H 109 4.901 4.901 4.893 0.008 25062 11927 1 16 . 1 1 109 109 SER C C 109 172.399 172.399 174.893 -2.494 25062 11928 1 16 . 1 1 109 109 SER CA C 109 57.974 57.974 56.631 1.343 25062 11929 1 16 . 1 1 109 109 SER CB C 109 67.764 67.764 66.938 0.826 25062 11930 1 16 . 1 1 109 109 SER H H 109 8.565 8.565 8.413 0.152 25062 11931 1 16 . 1 1 110 110 ARG N N 110 119.807 119.807 122.852 -3.045 25062 11932 1 16 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.400 0.609 25062 11933 1 16 . 1 1 110 110 ARG C C 110 175.995 175.995 176.042 -0.047 25062 11934 1 16 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.801 -0.792 25062 11935 1 16 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.720 1.097 25062 11936 1 16 . 1 1 110 110 ARG H H 110 8.948 8.948 9.006 -0.058 25062 11937 1 16 . 1 1 111 111 ASN N N 111 110.690 110.690 112.948 -2.258 25062 11938 1 16 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.775 -0.142 25062 11939 1 16 . 1 1 111 111 ASN C C 111 174.460 174.460 174.773 -0.313 25062 11940 1 16 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.455 -1.085 25062 11941 1 16 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.210 0.907 25062 11942 1 16 . 1 1 111 111 ASN H H 111 7.426 7.426 7.628 -0.202 25062 11943 1 16 . 1 1 112 112 GLU N N 112 119.451 119.451 119.282 0.169 25062 11944 1 16 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.973 -0.165 25062 11945 1 16 . 1 1 112 112 GLU C C 112 176.445 176.445 177.470 -1.025 25062 11946 1 16 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.881 0.312 25062 11947 1 16 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.581 1.025 25062 11948 1 16 . 1 1 112 112 GLU H H 112 9.529 9.529 8.702 0.827 25062 11949 1 16 . 1 1 113 113 ASP N N 113 120.739 120.739 118.926 1.813 25062 11950 1 16 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.406 -0.037 25062 11951 1 16 . 1 1 113 113 ASP C C 113 179.043 179.043 178.851 0.192 25062 11952 1 16 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.618 0.487 25062 11953 1 16 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.532 0.415 25062 11954 1 16 . 1 1 113 113 ASP H H 113 8.256 8.256 8.360 -0.104 25062 11955 1 16 . 1 1 114 114 GLU N N 114 119.817 119.817 120.248 -0.431 25062 11956 1 16 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.002 0.048 25062 11957 1 16 . 1 1 114 114 GLU C C 114 178.770 178.770 178.790 -0.020 25062 11958 1 16 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.935 0.305 25062 11959 1 16 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.269 1.387 25062 11960 1 16 . 1 1 114 114 GLU H H 114 8.577 8.577 7.775 0.802 25062 11961 1 16 . 1 1 115 115 ALA N N 115 121.470 121.470 122.103 -0.633 25062 11962 1 16 . 1 1 115 115 ALA HA H 115 4.055 4.055 3.959 0.096 25062 11963 1 16 . 1 1 115 115 ALA C C 115 178.962 178.962 179.289 -0.327 25062 11964 1 16 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.499 -0.286 25062 11965 1 16 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.163 1.694 25062 11966 1 16 . 1 1 115 115 ALA H H 115 8.358 8.358 7.951 0.407 25062 11967 1 16 . 1 1 116 116 LYS N N 116 117.285 117.285 118.510 -1.225 25062 11968 1 16 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.033 -0.375 25062 11969 1 16 . 1 1 116 116 LYS C C 116 178.583 178.583 178.802 -0.219 25062 11970 1 16 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.557 1.360 25062 11971 1 16 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.412 0.399 25062 11972 1 16 . 1 1 116 116 LYS H H 116 8.350 8.350 8.158 0.192 25062 11973 1 16 . 1 1 117 117 LYS N N 117 118.433 118.433 119.008 -0.575 25062 11974 1 16 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.114 -0.128 25062 11975 1 16 . 1 1 117 117 LYS C C 117 179.380 179.380 178.708 0.672 25062 11976 1 16 . 1 1 117 117 LYS CA C 117 59.605 59.605 58.661 0.944 25062 11977 1 16 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.057 0.325 25062 11978 1 16 . 1 1 117 117 LYS H H 117 7.345 7.345 7.752 -0.407 25062 11979 1 16 . 1 1 118 118 LYS N N 118 118.166 118.166 120.098 -1.932 25062 11980 1 16 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.972 -0.033 25062 11981 1 16 . 1 1 118 118 LYS C C 118 178.088 178.088 179.086 -0.998 25062 11982 1 16 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.203 -0.647 25062 11983 1 16 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.869 -0.729 25062 11984 1 16 . 1 1 118 118 LYS H H 118 8.130 8.130 7.916 0.214 25062 11985 1 16 . 1 1 119 119 LEU N N 119 120.654 120.654 120.246 0.408 25062 11986 1 16 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.817 -0.033 25062 11987 1 16 . 1 1 119 119 LEU C C 119 177.567 177.567 178.477 -0.910 25062 11988 1 16 . 1 1 119 119 LEU CA C 119 57.914 57.914 58.299 -0.385 25062 11989 1 16 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.556 0.619 25062 11990 1 16 . 1 1 119 119 LEU H H 119 8.592 8.592 8.234 0.358 25062 11991 1 16 . 1 1 120 120 LYS N N 120 118.314 118.314 118.789 -0.475 25062 11992 1 16 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.496 0.049 25062 11993 1 16 . 1 1 120 120 LYS C C 120 178.624 178.624 178.961 -0.337 25062 11994 1 16 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.905 0.385 25062 11995 1 16 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.989 -0.225 25062 11996 1 16 . 1 1 120 120 LYS H H 120 7.753 7.753 7.415 0.338 25062 11997 1 16 . 1 1 121 121 GLU N N 121 118.446 118.446 119.087 -0.641 25062 11998 1 16 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.034 -0.028 25062 11999 1 16 . 1 1 121 121 GLU C C 121 178.744 178.744 179.030 -0.286 25062 12000 1 16 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.014 0.525 25062 12001 1 16 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.301 0.062 25062 12002 1 16 . 1 1 121 121 GLU H H 121 7.777 7.777 7.834 -0.057 25062 12003 1 16 . 1 1 122 122 ALA N N 122 121.333 121.333 122.347 -1.014 25062 12004 1 16 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.083 -0.127 25062 12005 1 16 . 1 1 122 122 ALA C C 122 179.973 179.973 179.109 0.864 25062 12006 1 16 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.533 0.427 25062 12007 1 16 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.639 -0.211 25062 12008 1 16 . 1 1 122 122 ALA H H 122 8.229 8.229 7.345 0.884 25062 12009 1 16 . 1 1 123 123 LEU N N 123 118.790 118.790 119.023 -0.233 25062 12010 1 16 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.067 -0.287 25062 12011 1 16 . 1 1 123 123 LEU C C 123 179.703 179.703 179.455 0.248 25062 12012 1 16 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.356 0.533 25062 12013 1 16 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.965 -1.113 25062 12014 1 16 . 1 1 123 123 LEU H H 123 8.177 8.177 8.006 0.171 25062 12015 1 16 . 1 1 124 124 GLU N N 124 120.881 120.881 118.707 2.174 25062 12016 1 16 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.449 -0.305 25062 12017 1 16 . 1 1 124 124 GLU C C 124 179.732 179.732 178.971 0.761 25062 12018 1 16 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.529 -0.090 25062 12019 1 16 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.557 -0.037 25062 12020 1 16 . 1 1 124 124 GLU H H 124 8.393 8.393 8.228 0.165 25062 12021 1 16 . 1 1 125 125 LYS N N 125 119.526 119.526 115.122 4.404 25062 12022 1 16 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.185 0.074 25062 12023 1 16 . 1 1 125 125 LYS C C 125 177.862 177.862 177.461 0.401 25062 12024 1 16 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.708 0.237 25062 12025 1 16 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.655 -0.298 25062 12026 1 16 . 1 1 125 125 LYS H H 125 8.290 8.290 7.840 0.450 25062 12027 1 16 . 1 1 126 126 SER N N 126 114.103 114.103 112.318 1.785 25062 12028 1 16 . 1 1 126 126 SER HA H 126 4.385 4.385 4.521 -0.136 25062 12029 1 16 . 1 1 126 126 SER C C 126 174.460 174.460 175.502 -1.042 25062 12030 1 16 . 1 1 126 126 SER CA C 126 59.611 59.611 58.932 0.679 25062 12031 1 16 . 1 1 126 126 SER CB C 126 63.479 63.479 65.195 -1.716 25062 12032 1 16 . 1 1 126 126 SER H H 126 7.702 7.702 7.657 0.045 25062 12033 1 16 . 1 1 127 127 GLY N N 127 108.584 108.584 109.646 -1.062 25062 12034 1 16 . 1 1 127 127 GLY C C 127 174.103 174.103 174.097 0.006 25062 12035 1 16 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.825 0.612 25062 12036 1 16 . 1 1 127 127 GLY H H 127 7.933 7.933 7.864 0.069 25062 12037 1 16 . 1 1 128 128 SER N N 128 115.990 115.990 120.789 -4.799 25062 12038 1 16 . 1 1 128 128 SER HA H 128 4.590 4.590 4.729 -0.139 25062 12039 1 16 . 1 1 128 128 SER C C 128 174.412 174.412 173.992 0.420 25062 12040 1 16 . 1 1 128 128 SER CA C 128 57.986 57.986 58.064 -0.078 25062 12041 1 16 . 1 1 128 128 SER CB C 128 63.336 63.336 63.419 -0.083 25062 12042 1 16 . 1 1 128 128 SER H H 128 8.091 8.091 8.343 -0.252 25062 12043 1 16 . 1 1 129 129 LEU N N 129 125.492 125.492 123.312 2.180 25062 12044 1 16 . 1 1 129 129 LEU HA H 129 4.441 4.441 3.900 0.541 25062 12045 1 16 . 1 1 129 129 LEU C C 129 177.084 177.084 176.037 1.047 25062 12046 1 16 . 1 1 129 129 LEU CA C 129 54.876 54.876 55.389 -0.513 25062 12047 1 16 . 1 1 129 129 LEU CB C 129 42.309 42.309 39.842 2.467 25062 12048 1 16 . 1 1 129 129 LEU H H 129 8.262 8.262 8.912 -0.650 25062 12049 1 16 . 1 1 130 130 GLU N N 130 121.006 121.006 120.673 0.333 25062 12050 1 16 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.447 -0.472 25062 12051 1 16 . 1 1 130 130 GLU C C 130 176.435 176.435 176.819 -0.384 25062 12052 1 16 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.533 0.279 25062 12053 1 16 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.671 -0.392 25062 12054 1 16 . 1 1 130 130 GLU H H 130 8.398 8.398 8.394 0.004 25062 12055 1 16 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.153 0.438 25062 12056 1 16 . 1 1 131 131 HIS C C 131 174.179 174.179 173.899 0.280 25062 12057 1 16 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.078 0.071 25062 12058 1 16 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.839 0.992 25062 12059 1 16 . 1 1 132 132 HIS N N 132 125.794 125.794 122.215 3.579 25062 12060 1 16 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.308 0.108 25062 12061 1 16 . 1 1 132 132 HIS C C 132 179.523 179.523 175.762 3.761 25062 12062 1 16 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.710 0.806 25062 12063 1 16 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.141 1.867 25062 12064 1 16 . 1 1 132 132 HIS H H 132 7.935 7.935 7.854 0.081 25062 12065 1 17 . 1 1 2 2 GLY N N 2 109.342 109.342 105.079 4.263 25062 12066 1 17 . 1 1 2 2 GLY C C 2 172.736 172.736 171.593 1.143 25062 12067 1 17 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.437 0.219 25062 12068 1 17 . 1 1 2 2 GLY H H 2 8.632 8.632 7.773 0.859 25062 12069 1 17 . 1 1 3 3 VAL N N 3 123.457 123.457 118.522 4.935 25062 12070 1 17 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.747 0.234 25062 12071 1 17 . 1 1 3 3 VAL C C 3 173.780 173.780 174.328 -0.548 25062 12072 1 17 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.632 -1.282 25062 12073 1 17 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.609 -0.496 25062 12074 1 17 . 1 1 3 3 VAL H H 3 7.516 7.516 7.866 -0.350 25062 12075 1 17 . 1 1 4 4 VAL N N 4 125.375 125.375 125.776 -0.401 25062 12076 1 17 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.652 -0.121 25062 12077 1 17 . 1 1 4 4 VAL C C 4 173.185 173.185 174.998 -1.813 25062 12078 1 17 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.280 -0.779 25062 12079 1 17 . 1 1 4 4 VAL CB C 4 33.795 33.795 33.251 0.544 25062 12080 1 17 . 1 1 4 4 VAL H H 4 8.810 8.810 9.024 -0.214 25062 12081 1 17 . 1 1 5 5 ILE N N 5 127.180 127.180 128.909 -1.729 25062 12082 1 17 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.576 0.293 25062 12083 1 17 . 1 1 5 5 ILE C C 5 174.303 174.303 175.066 -0.763 25062 12084 1 17 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.044 -0.634 25062 12085 1 17 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.090 0.553 25062 12086 1 17 . 1 1 5 5 ILE H H 5 8.800 8.800 8.916 -0.116 25062 12087 1 17 . 1 1 6 6 LEU N N 6 129.025 129.025 129.632 -0.607 25062 12088 1 17 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.601 0.412 25062 12089 1 17 . 1 1 6 6 LEU C C 6 174.847 174.847 175.998 -1.151 25062 12090 1 17 . 1 1 6 6 LEU CA C 6 53.468 53.468 54.083 -0.615 25062 12091 1 17 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.931 2.362 25062 12092 1 17 . 1 1 6 6 LEU H H 6 9.424 9.424 8.972 0.452 25062 12093 1 17 . 1 1 7 7 VAL N N 7 123.364 123.364 126.833 -3.469 25062 12094 1 17 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.497 0.160 25062 12095 1 17 . 1 1 7 7 VAL C C 7 174.210 174.210 175.083 -0.873 25062 12096 1 17 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.849 -1.022 25062 12097 1 17 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.730 0.523 25062 12098 1 17 . 1 1 7 7 VAL H H 7 8.653 8.653 8.950 -0.297 25062 12099 1 17 . 1 1 8 8 LEU N N 8 130.560 130.560 131.155 -0.595 25062 12100 1 17 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.944 0.352 25062 12101 1 17 . 1 1 8 8 LEU C C 8 175.744 175.744 176.646 -0.902 25062 12102 1 17 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.192 -0.306 25062 12103 1 17 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.689 0.807 25062 12104 1 17 . 1 1 8 8 LEU H H 8 9.069 9.069 8.733 0.336 25062 12105 1 17 . 1 1 9 9 THR N N 9 112.810 112.810 115.009 -2.199 25062 12106 1 17 . 1 1 9 9 THR HA H 9 4.959 4.959 5.040 -0.081 25062 12107 1 17 . 1 1 9 9 THR C C 9 174.213 174.213 175.595 -1.382 25062 12108 1 17 . 1 1 9 9 THR CA C 9 59.948 59.948 59.612 0.336 25062 12109 1 17 . 1 1 9 9 THR CB C 9 70.756 70.756 71.097 -0.341 25062 12110 1 17 . 1 1 9 9 THR H H 9 8.028 8.028 8.652 -0.624 25062 12111 1 17 . 1 1 10 10 GLY N N 10 107.740 107.740 109.637 -1.897 25062 12112 1 17 . 1 1 10 10 GLY C C 10 173.064 173.064 174.075 -1.011 25062 12113 1 17 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.185 0.245 25062 12114 1 17 . 1 1 10 10 GLY H H 10 7.827 7.827 8.629 -0.802 25062 12115 1 17 . 1 1 11 11 ASP N N 11 119.119 119.119 119.559 -0.440 25062 12116 1 17 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.842 0.011 25062 12117 1 17 . 1 1 11 11 ASP C C 11 176.118 176.118 176.003 0.115 25062 12118 1 17 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.658 -0.686 25062 12119 1 17 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.363 -0.122 25062 12120 1 17 . 1 1 11 11 ASP H H 11 7.642 7.642 7.842 -0.200 25062 12121 1 17 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.950 0.150 25062 12122 1 17 . 1 1 12 12 GLU C C 12 178.508 178.508 178.022 0.486 25062 12123 1 17 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.103 -0.639 25062 12124 1 17 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.032 -0.699 25062 12125 1 17 . 1 1 13 13 ARG N N 13 121.589 121.589 119.122 2.467 25062 12126 1 17 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.048 0.089 25062 12127 1 17 . 1 1 13 13 ARG C C 13 179.625 179.625 178.293 1.332 25062 12128 1 17 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.956 0.462 25062 12129 1 17 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.816 -0.461 25062 12130 1 17 . 1 1 13 13 ARG H H 13 8.593 8.593 8.386 0.207 25062 12131 1 17 . 1 1 14 14 ILE N N 14 119.911 119.911 119.332 0.579 25062 12132 1 17 . 1 1 14 14 ILE HA H 14 3.650 3.650 4.016 -0.366 25062 12133 1 17 . 1 1 14 14 ILE C C 14 177.727 177.727 177.890 -0.163 25062 12134 1 17 . 1 1 14 14 ILE CA C 14 65.158 65.158 63.717 1.441 25062 12135 1 17 . 1 1 14 14 ILE CB C 14 37.339 37.339 36.861 0.478 25062 12136 1 17 . 1 1 14 14 ILE H H 14 7.823 7.823 7.540 0.283 25062 12137 1 17 . 1 1 15 15 ALA N N 15 121.015 121.015 120.681 0.334 25062 12138 1 17 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.598 0.121 25062 12139 1 17 . 1 1 15 15 ALA C C 15 178.994 178.994 179.548 -0.554 25062 12140 1 17 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.102 0.788 25062 12141 1 17 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.794 0.057 25062 12142 1 17 . 1 1 15 15 ALA H H 15 7.610 7.610 7.625 -0.015 25062 12143 1 17 . 1 1 16 16 GLU N N 16 117.655 117.655 118.614 -0.959 25062 12144 1 17 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.910 0.224 25062 12145 1 17 . 1 1 16 16 GLU C C 16 178.517 178.517 178.500 0.017 25062 12146 1 17 . 1 1 16 16 GLU CA C 16 58.279 58.279 58.904 -0.625 25062 12147 1 17 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.508 -0.286 25062 12148 1 17 . 1 1 16 16 GLU H H 16 7.808 7.808 7.601 0.207 25062 12149 1 17 . 1 1 17 17 GLU N N 17 119.648 119.648 119.087 0.561 25062 12150 1 17 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.093 -0.039 25062 12151 1 17 . 1 1 17 17 GLU C C 17 180.213 180.213 179.361 0.852 25062 12152 1 17 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.858 0.376 25062 12153 1 17 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.267 -0.115 25062 12154 1 17 . 1 1 17 17 GLU H H 17 8.002 8.002 7.850 0.152 25062 12155 1 17 . 1 1 18 18 LEU N N 18 119.118 119.118 120.005 -0.887 25062 12156 1 17 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.217 -0.117 25062 12157 1 17 . 1 1 18 18 LEU C C 18 178.233 178.233 178.671 -0.438 25062 12158 1 17 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.105 0.701 25062 12159 1 17 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.930 -1.059 25062 12160 1 17 . 1 1 18 18 LEU H H 18 8.554 8.554 8.005 0.549 25062 12161 1 17 . 1 1 19 19 ARG N N 19 122.158 122.158 120.004 2.154 25062 12162 1 17 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.112 -0.297 25062 12163 1 17 . 1 1 19 19 ARG C C 19 178.686 178.686 178.444 0.242 25062 12164 1 17 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.866 1.050 25062 12165 1 17 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.932 -0.593 25062 12166 1 17 . 1 1 19 19 ARG H H 19 8.274 8.274 7.461 0.813 25062 12167 1 17 . 1 1 20 20 LYS N N 20 118.130 118.130 117.256 0.874 25062 12168 1 17 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.987 -0.052 25062 12169 1 17 . 1 1 20 20 LYS C C 20 179.078 179.078 178.726 0.352 25062 12170 1 17 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.557 0.196 25062 12171 1 17 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.725 0.715 25062 12172 1 17 . 1 1 20 20 LYS H H 20 7.977 7.977 7.872 0.105 25062 12173 1 17 . 1 1 21 21 GLU N N 21 120.451 120.451 120.229 0.222 25062 12174 1 17 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.209 -0.154 25062 12175 1 17 . 1 1 21 21 GLU C C 21 178.995 178.995 178.778 0.217 25062 12176 1 17 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.813 0.290 25062 12177 1 17 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.355 -0.192 25062 12178 1 17 . 1 1 21 21 GLU H H 21 7.813 7.813 7.399 0.414 25062 12179 1 17 . 1 1 22 22 VAL N N 22 119.654 119.654 120.817 -1.163 25062 12180 1 17 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.728 -0.288 25062 12181 1 17 . 1 1 22 22 VAL C C 22 176.428 176.428 178.223 -1.795 25062 12182 1 17 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.855 0.267 25062 12183 1 17 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.493 -0.041 25062 12184 1 17 . 1 1 22 22 VAL H H 22 8.146 8.146 8.373 -0.227 25062 12185 1 17 . 1 1 23 23 GLN N N 23 116.884 116.884 117.212 -0.328 25062 12186 1 17 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.278 -0.326 25062 12187 1 17 . 1 1 23 23 GLN C C 23 177.429 177.429 177.161 0.268 25062 12188 1 17 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.672 1.095 25062 12189 1 17 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.178 0.373 25062 12190 1 17 . 1 1 23 23 GLN H H 23 7.588 7.588 7.764 -0.176 25062 12191 1 17 . 1 1 24 24 LYS N N 24 116.529 116.529 116.904 -0.375 25062 12192 1 17 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.178 -0.182 25062 12193 1 17 . 1 1 24 24 LYS C C 24 177.508 177.508 178.511 -1.003 25062 12194 1 17 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.215 1.199 25062 12195 1 17 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.426 0.491 25062 12196 1 17 . 1 1 24 24 LYS H H 24 7.544 7.544 7.539 0.005 25062 12197 1 17 . 1 1 25 25 HIS N N 25 119.657 119.657 119.097 0.560 25062 12198 1 17 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.604 -0.351 25062 12199 1 17 . 1 1 25 25 HIS C C 25 175.915 175.915 174.316 1.599 25062 12200 1 17 . 1 1 25 25 HIS CA C 25 59.442 59.442 59.313 0.129 25062 12201 1 17 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.504 0.366 25062 12202 1 17 . 1 1 25 25 HIS H H 25 7.809 7.809 7.867 -0.058 25062 12203 1 17 . 1 1 26 26 ASP N N 26 113.221 113.221 114.157 -0.936 25062 12204 1 17 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.826 -0.091 25062 12205 1 17 . 1 1 26 26 ASP C C 26 173.856 173.856 174.229 -0.373 25062 12206 1 17 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.224 -0.555 25062 12207 1 17 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.568 -0.202 25062 12208 1 17 . 1 1 26 26 ASP H H 26 8.358 8.358 8.190 0.168 25062 12209 1 17 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.762 -0.196 25062 12210 1 17 . 1 1 27 27 PRO C C 27 176.845 176.845 176.359 0.486 25062 12211 1 17 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.521 0.356 25062 12212 1 17 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.250 0.035 25062 12213 1 17 . 1 1 28 28 ASN N N 28 115.529 115.529 115.022 0.507 25062 12214 1 17 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.647 0.025 25062 12215 1 17 . 1 1 28 28 ASN C C 28 175.632 175.632 175.436 0.196 25062 12216 1 17 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.507 0.308 25062 12217 1 17 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.091 0.003 25062 12218 1 17 . 1 1 28 28 ASN H H 28 8.570 8.570 7.748 0.822 25062 12219 1 17 . 1 1 29 29 VAL N N 29 121.867 121.867 122.253 -0.386 25062 12220 1 17 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.919 -0.035 25062 12221 1 17 . 1 1 29 29 VAL C C 29 175.085 175.085 175.646 -0.561 25062 12222 1 17 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.625 -0.450 25062 12223 1 17 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.650 0.348 25062 12224 1 17 . 1 1 29 29 VAL H H 29 7.465 7.465 7.613 -0.148 25062 12225 1 17 . 1 1 30 30 LYS N N 30 130.242 130.242 128.917 1.325 25062 12226 1 17 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.370 0.064 25062 12227 1 17 . 1 1 30 30 LYS C C 30 175.093 175.093 175.726 -0.633 25062 12228 1 17 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.891 -0.517 25062 12229 1 17 . 1 1 30 30 LYS CB C 30 32.427 32.427 32.867 -0.440 25062 12230 1 17 . 1 1 30 30 LYS H H 30 9.036 9.036 8.062 0.974 25062 12231 1 17 . 1 1 31 31 THR N N 31 113.173 113.173 114.875 -1.702 25062 12232 1 17 . 1 1 31 31 THR HA H 31 5.688 5.688 5.219 0.469 25062 12233 1 17 . 1 1 31 31 THR C C 31 174.708 174.708 173.372 1.336 25062 12234 1 17 . 1 1 31 31 THR CA C 31 58.537 58.537 60.428 -1.891 25062 12235 1 17 . 1 1 31 31 THR CB C 31 71.419 71.419 71.036 0.383 25062 12236 1 17 . 1 1 31 31 THR H H 31 8.185 8.185 8.236 -0.051 25062 12237 1 17 . 1 1 32 32 VAL N N 32 122.168 122.168 125.792 -3.624 25062 12238 1 17 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.650 0.245 25062 12239 1 17 . 1 1 32 32 VAL C C 32 173.388 173.388 174.206 -0.818 25062 12240 1 17 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.651 0.082 25062 12241 1 17 . 1 1 32 32 VAL CB C 32 33.904 33.904 33.484 0.420 25062 12242 1 17 . 1 1 32 32 VAL H H 32 8.968 8.968 8.400 0.568 25062 12243 1 17 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.681 0.293 25062 12244 1 17 . 1 1 33 33 PRO C C 33 177.848 177.848 177.873 -0.025 25062 12245 1 17 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.574 -0.232 25062 12246 1 17 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.232 0.789 25062 12247 1 17 . 1 1 34 34 THR N N 34 114.266 114.266 112.329 1.937 25062 12248 1 17 . 1 1 34 34 THR HA H 34 4.118 4.118 4.307 -0.189 25062 12249 1 17 . 1 1 34 34 THR C C 34 176.879 176.879 176.682 0.197 25062 12250 1 17 . 1 1 34 34 THR CA C 34 64.607 64.607 65.600 -0.993 25062 12251 1 17 . 1 1 34 34 THR CB C 34 68.311 68.311 69.044 -0.733 25062 12252 1 17 . 1 1 34 34 THR H H 34 9.033 9.033 8.607 0.426 25062 12253 1 17 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.183 0.062 25062 12254 1 17 . 1 1 35 35 LYS C C 35 176.639 176.639 177.181 -0.542 25062 12255 1 17 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.344 -0.210 25062 12256 1 17 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.892 0.411 25062 12257 1 17 . 1 1 36 36 ASP N N 36 120.993 120.993 120.629 0.364 25062 12258 1 17 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.912 0.103 25062 12259 1 17 . 1 1 36 36 ASP C C 36 176.202 176.202 176.343 -0.141 25062 12260 1 17 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.203 -0.767 25062 12261 1 17 . 1 1 36 36 ASP CB C 36 41.110 41.110 41.045 0.065 25062 12262 1 17 . 1 1 36 36 ASP H H 36 7.726 7.726 7.717 0.009 25062 12263 1 17 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.984 0.004 25062 12264 1 17 . 1 1 37 37 LYS C C 37 177.948 177.948 177.623 0.325 25062 12265 1 17 . 1 1 37 37 LYS CA C 37 59.308 59.308 58.931 0.377 25062 12266 1 17 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.064 0.784 25062 12267 1 17 . 1 1 38 38 GLU N N 38 119.141 119.141 119.116 0.025 25062 12268 1 17 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.109 0.141 25062 12269 1 17 . 1 1 38 38 GLU C C 38 178.054 178.054 178.327 -0.273 25062 12270 1 17 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.704 -0.202 25062 12271 1 17 . 1 1 38 38 GLU CB C 38 29.207 29.207 28.945 0.262 25062 12272 1 17 . 1 1 38 38 GLU H H 38 8.883 8.883 8.565 0.318 25062 12273 1 17 . 1 1 39 39 LYS N N 39 118.440 118.440 117.849 0.591 25062 12274 1 17 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.288 0.219 25062 12275 1 17 . 1 1 39 39 LYS C C 39 177.126 177.126 178.010 -0.884 25062 12276 1 17 . 1 1 39 39 LYS CA C 39 56.307 56.307 56.105 0.202 25062 12277 1 17 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.419 0.005 25062 12278 1 17 . 1 1 39 39 LYS H H 39 8.064 8.064 7.669 0.395 25062 12279 1 17 . 1 1 40 40 VAL N N 40 118.130 118.130 120.246 -2.116 25062 12280 1 17 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.594 -0.199 25062 12281 1 17 . 1 1 40 40 VAL C C 40 176.934 176.934 177.494 -0.560 25062 12282 1 17 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.987 0.634 25062 12283 1 17 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.437 0.218 25062 12284 1 17 . 1 1 40 40 VAL H H 40 7.308 7.308 7.255 0.053 25062 12285 1 17 . 1 1 41 41 LYS N N 41 118.555 118.555 118.891 -0.336 25062 12286 1 17 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.764 -0.121 25062 12287 1 17 . 1 1 41 41 LYS C C 41 178.363 178.363 178.539 -0.176 25062 12288 1 17 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.794 1.493 25062 12289 1 17 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.748 -0.294 25062 12290 1 17 . 1 1 41 41 LYS H H 41 8.150 8.150 8.487 -0.337 25062 12291 1 17 . 1 1 42 42 GLU N N 42 119.454 119.454 118.743 0.711 25062 12292 1 17 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.066 0.032 25062 12293 1 17 . 1 1 42 42 GLU C C 42 179.552 179.552 179.055 0.497 25062 12294 1 17 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.467 -0.211 25062 12295 1 17 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.558 0.035 25062 12296 1 17 . 1 1 42 42 GLU H H 42 8.067 8.067 7.587 0.480 25062 12297 1 17 . 1 1 43 43 GLU N N 43 118.427 118.427 118.693 -0.266 25062 12298 1 17 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.164 0.131 25062 12299 1 17 . 1 1 43 43 GLU C C 43 180.076 180.076 179.392 0.684 25062 12300 1 17 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.334 0.122 25062 12301 1 17 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.051 -0.406 25062 12302 1 17 . 1 1 43 43 GLU H H 43 8.189 8.189 8.215 -0.026 25062 12303 1 17 . 1 1 44 44 ILE N N 44 122.905 122.905 120.432 2.473 25062 12304 1 17 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.675 -0.040 25062 12305 1 17 . 1 1 44 44 ILE C C 44 176.828 176.828 177.792 -0.964 25062 12306 1 17 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.388 0.009 25062 12307 1 17 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.997 -0.458 25062 12308 1 17 . 1 1 44 44 ILE H H 44 8.734 8.734 8.282 0.452 25062 12309 1 17 . 1 1 45 45 GLU N N 45 120.098 120.098 120.334 -0.236 25062 12310 1 17 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.173 -0.034 25062 12311 1 17 . 1 1 45 45 GLU C C 45 178.930 178.930 178.892 0.038 25062 12312 1 17 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.533 -0.044 25062 12313 1 17 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.465 -0.317 25062 12314 1 17 . 1 1 45 45 GLU H H 45 8.099 8.099 8.219 -0.120 25062 12315 1 17 . 1 1 46 46 LYS N N 46 118.360 118.360 119.093 -0.733 25062 12316 1 17 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.130 -0.121 25062 12317 1 17 . 1 1 46 46 LYS C C 46 178.775 178.775 178.889 -0.114 25062 12318 1 17 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.047 0.855 25062 12319 1 17 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.458 0.244 25062 12320 1 17 . 1 1 46 46 LYS H H 46 7.854 7.854 7.966 -0.112 25062 12321 1 17 . 1 1 47 47 ALA N N 47 122.551 122.551 122.087 0.464 25062 12322 1 17 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.060 0.068 25062 12323 1 17 . 1 1 47 47 ALA C C 47 180.095 180.095 179.037 1.058 25062 12324 1 17 . 1 1 47 47 ALA CA C 47 55.403 55.403 54.870 0.533 25062 12325 1 17 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.439 -0.734 25062 12326 1 17 . 1 1 47 47 ALA H H 47 8.135 8.135 8.114 0.021 25062 12327 1 17 . 1 1 48 48 ARG N N 48 118.945 118.945 119.164 -0.219 25062 12328 1 17 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.123 -0.066 25062 12329 1 17 . 1 1 48 48 ARG C C 48 179.960 179.960 178.417 1.543 25062 12330 1 17 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.118 0.169 25062 12331 1 17 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.199 -0.747 25062 12332 1 17 . 1 1 48 48 ARG H H 48 8.655 8.655 8.229 0.426 25062 12333 1 17 . 1 1 49 49 LYS N N 49 119.557 119.557 118.511 1.046 25062 12334 1 17 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.126 -0.069 25062 12335 1 17 . 1 1 49 49 LYS C C 49 178.288 178.288 178.699 -0.411 25062 12336 1 17 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.565 0.405 25062 12337 1 17 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.200 0.453 25062 12338 1 17 . 1 1 49 49 LYS H H 49 8.058 8.058 7.503 0.555 25062 12339 1 17 . 1 1 50 50 GLN N N 50 115.215 115.215 115.184 0.031 25062 12340 1 17 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.401 -0.024 25062 12341 1 17 . 1 1 50 50 GLN C C 50 176.439 176.439 176.946 -0.507 25062 12342 1 17 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.264 0.709 25062 12343 1 17 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.335 0.473 25062 12344 1 17 . 1 1 50 50 GLN H H 50 7.938 7.938 7.735 0.203 25062 12345 1 17 . 1 1 51 51 GLY N N 51 109.413 109.413 107.966 1.447 25062 12346 1 17 . 1 1 51 51 GLY C C 51 174.570 174.570 174.636 -0.066 25062 12347 1 17 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.526 1.069 25062 12348 1 17 . 1 1 51 51 GLY H H 51 8.070 8.070 7.802 0.268 25062 12349 1 17 . 1 1 52 52 ARG N N 52 119.414 119.414 120.805 -1.391 25062 12350 1 17 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.632 0.270 25062 12351 1 17 . 1 1 52 52 ARG C C 52 173.093 173.093 174.892 -1.799 25062 12352 1 17 . 1 1 52 52 ARG CA C 52 52.977 52.977 53.241 -0.264 25062 12353 1 17 . 1 1 52 52 ARG CB C 52 32.410 32.410 29.740 2.670 25062 12354 1 17 . 1 1 52 52 ARG H H 52 7.950 7.950 7.823 0.127 25062 12355 1 17 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.008 0.066 25062 12356 1 17 . 1 1 53 53 PRO C C 53 174.179 174.179 175.830 -1.651 25062 12357 1 17 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.433 -0.456 25062 12358 1 17 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.531 0.003 25062 12359 1 17 . 1 1 54 54 ILE N N 54 115.161 115.161 123.937 -8.776 25062 12360 1 17 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.968 -0.010 25062 12361 1 17 . 1 1 54 54 ILE C C 54 172.097 172.097 173.953 -1.856 25062 12362 1 17 . 1 1 54 54 ILE CA C 54 58.773 58.773 58.864 -0.091 25062 12363 1 17 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.275 0.460 25062 12364 1 17 . 1 1 54 54 ILE H H 54 7.718 7.718 8.272 -0.554 25062 12365 1 17 . 1 1 55 55 VAL N N 55 126.019 126.019 130.076 -4.057 25062 12366 1 17 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.540 0.340 25062 12367 1 17 . 1 1 55 55 VAL C C 55 173.844 173.844 175.152 -1.308 25062 12368 1 17 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.568 -0.275 25062 12369 1 17 . 1 1 55 55 VAL CB C 55 33.268 33.268 30.701 2.567 25062 12370 1 17 . 1 1 55 55 VAL H H 55 8.352 8.352 8.685 -0.333 25062 12371 1 17 . 1 1 56 56 VAL N N 56 127.584 127.584 128.298 -0.714 25062 12372 1 17 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.046 0.395 25062 12373 1 17 . 1 1 56 56 VAL C C 56 173.968 173.968 174.688 -0.720 25062 12374 1 17 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.664 -1.121 25062 12375 1 17 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.418 1.962 25062 12376 1 17 . 1 1 56 56 VAL H H 56 9.291 9.291 8.597 0.694 25062 12377 1 17 . 1 1 57 57 PHE N N 57 125.432 125.432 125.826 -0.394 25062 12378 1 17 . 1 1 57 57 PHE HA H 57 4.930 4.930 5.322 -0.392 25062 12379 1 17 . 1 1 57 57 PHE C C 57 174.987 174.987 175.294 -0.307 25062 12380 1 17 . 1 1 57 57 PHE CA C 57 58.208 58.208 56.419 1.789 25062 12381 1 17 . 1 1 57 57 PHE CB C 57 39.886 39.886 41.233 -1.347 25062 12382 1 17 . 1 1 57 57 PHE H H 57 8.585 8.585 8.631 -0.046 25062 12383 1 17 . 1 1 58 58 VAL N N 58 123.763 123.763 120.834 2.929 25062 12384 1 17 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.422 -0.220 25062 12385 1 17 . 1 1 58 58 VAL C C 58 174.791 174.791 174.451 0.340 25062 12386 1 17 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.674 0.207 25062 12387 1 17 . 1 1 58 58 VAL CB C 58 34.712 34.712 35.823 -1.111 25062 12388 1 17 . 1 1 58 58 VAL H H 58 9.008 9.008 8.980 0.028 25062 12389 1 17 . 1 1 59 59 ARG N N 59 127.924 127.924 127.458 0.466 25062 12390 1 17 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.502 0.080 25062 12391 1 17 . 1 1 59 59 ARG C C 59 177.755 177.755 177.558 0.197 25062 12392 1 17 . 1 1 59 59 ARG CA C 59 56.538 56.538 54.774 1.764 25062 12393 1 17 . 1 1 59 59 ARG CB C 59 30.513 30.513 28.676 1.837 25062 12394 1 17 . 1 1 59 59 ARG H H 59 8.820 8.820 8.720 0.100 25062 12395 1 17 . 1 1 60 60 GLY N N 60 110.441 110.441 115.155 -4.714 25062 12396 1 17 . 1 1 60 60 GLY C C 60 174.818 174.818 175.593 -0.775 25062 12397 1 17 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.961 0.027 25062 12398 1 17 . 1 1 60 60 GLY H H 60 8.200 8.200 8.340 -0.140 25062 12399 1 17 . 1 1 61 61 GLY N N 61 109.411 109.411 111.880 -2.469 25062 12400 1 17 . 1 1 61 61 GLY C C 61 174.550 174.550 175.411 -0.861 25062 12401 1 17 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.602 -0.171 25062 12402 1 17 . 1 1 61 61 GLY H H 61 7.995 7.995 8.159 -0.164 25062 12403 1 17 . 1 1 62 62 ASP N N 62 122.920 122.920 121.210 1.710 25062 12404 1 17 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.492 0.529 25062 12405 1 17 . 1 1 62 62 ASP C C 62 176.247 176.247 176.074 0.173 25062 12406 1 17 . 1 1 62 62 ASP CA C 62 52.527 52.527 55.350 -2.824 25062 12407 1 17 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.333 -0.518 25062 12408 1 17 . 1 1 62 62 ASP H H 62 8.090 8.090 7.636 0.454 25062 12409 1 17 . 1 1 63 63 ASP N N 63 121.058 121.058 121.569 -0.511 25062 12410 1 17 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.261 0.005 25062 12411 1 17 . 1 1 63 63 ASP C C 63 178.418 178.418 177.607 0.811 25062 12412 1 17 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.889 -0.548 25062 12413 1 17 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.108 0.464 25062 12414 1 17 . 1 1 63 63 ASP H H 63 8.023 8.023 7.842 0.181 25062 12415 1 17 . 1 1 64 64 GLU N N 64 119.564 119.564 117.887 1.677 25062 12416 1 17 . 1 1 64 64 GLU HA H 64 4.051 4.051 3.949 0.102 25062 12417 1 17 . 1 1 64 64 GLU C C 64 178.321 178.321 178.908 -0.587 25062 12418 1 17 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.220 0.162 25062 12419 1 17 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.606 -0.562 25062 12420 1 17 . 1 1 64 64 GLU H H 64 8.760 8.760 8.328 0.432 25062 12421 1 17 . 1 1 65 65 ARG N N 65 119.839 119.839 118.794 1.045 25062 12422 1 17 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.378 -0.182 25062 12423 1 17 . 1 1 65 65 ARG C C 65 178.305 178.305 178.449 -0.144 25062 12424 1 17 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.816 0.236 25062 12425 1 17 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.326 0.311 25062 12426 1 17 . 1 1 65 65 ARG H H 65 7.643 7.643 7.401 0.242 25062 12427 1 17 . 1 1 66 66 ALA N N 66 118.984 118.984 122.223 -3.239 25062 12428 1 17 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.119 -0.253 25062 12429 1 17 . 1 1 66 66 ALA C C 66 178.638 178.638 179.198 -0.560 25062 12430 1 17 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.135 0.331 25062 12431 1 17 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.224 0.138 25062 12432 1 17 . 1 1 66 66 ALA H H 66 7.782 7.782 8.280 -0.498 25062 12433 1 17 . 1 1 67 67 LYS N N 67 117.711 117.711 116.863 0.848 25062 12434 1 17 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.093 -0.074 25062 12435 1 17 . 1 1 67 67 LYS C C 67 178.363 178.363 178.510 -0.147 25062 12436 1 17 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.209 0.364 25062 12437 1 17 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.127 0.097 25062 12438 1 17 . 1 1 67 67 LYS H H 67 8.010 8.010 7.683 0.327 25062 12439 1 17 . 1 1 68 68 ASP N N 68 119.581 119.581 121.392 -1.811 25062 12440 1 17 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.518 -0.104 25062 12441 1 17 . 1 1 68 68 ASP C C 68 179.235 179.235 178.561 0.674 25062 12442 1 17 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.556 -0.062 25062 12443 1 17 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.937 0.450 25062 12444 1 17 . 1 1 68 68 ASP H H 68 7.999 7.999 7.499 0.500 25062 12445 1 17 . 1 1 69 69 ILE N N 69 119.307 119.307 120.131 -0.824 25062 12446 1 17 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.788 -0.195 25062 12447 1 17 . 1 1 69 69 ILE C C 69 176.927 176.927 177.712 -0.785 25062 12448 1 17 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.790 0.436 25062 12449 1 17 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.679 0.184 25062 12450 1 17 . 1 1 69 69 ILE H H 69 8.283 8.283 8.178 0.105 25062 12451 1 17 . 1 1 70 70 ALA N N 70 121.395 121.395 122.345 -0.950 25062 12452 1 17 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.753 -0.021 25062 12453 1 17 . 1 1 70 70 ALA C C 70 178.770 178.770 179.068 -0.298 25062 12454 1 17 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.085 0.456 25062 12455 1 17 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.495 0.649 25062 12456 1 17 . 1 1 70 70 ALA H H 70 8.200 8.200 7.855 0.345 25062 12457 1 17 . 1 1 71 71 GLU N N 71 116.210 116.210 120.180 -3.970 25062 12458 1 17 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.191 -0.045 25062 12459 1 17 . 1 1 71 71 GLU C C 71 179.215 179.215 178.685 0.530 25062 12460 1 17 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.221 0.212 25062 12461 1 17 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.856 -0.272 25062 12462 1 17 . 1 1 71 71 GLU H H 71 8.402 8.402 7.906 0.496 25062 12463 1 17 . 1 1 72 72 TYR N N 72 121.372 121.372 120.659 0.713 25062 12464 1 17 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.108 0.094 25062 12465 1 17 . 1 1 72 72 TYR C C 72 176.699 176.699 177.285 -0.586 25062 12466 1 17 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.454 -0.148 25062 12467 1 17 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.303 -0.065 25062 12468 1 17 . 1 1 72 72 TYR H H 72 8.031 8.031 8.050 -0.019 25062 12469 1 17 . 1 1 73 73 ALA N N 73 119.994 119.994 120.228 -0.234 25062 12470 1 17 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.683 -0.072 25062 12471 1 17 . 1 1 73 73 ALA C C 73 178.786 178.786 178.961 -0.175 25062 12472 1 17 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.295 -0.124 25062 12473 1 17 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.005 0.496 25062 12474 1 17 . 1 1 73 73 ALA H H 73 8.588 8.588 8.207 0.381 25062 12475 1 17 . 1 1 74 74 GLN N N 74 116.775 116.775 118.529 -1.754 25062 12476 1 17 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.385 -0.078 25062 12477 1 17 . 1 1 74 74 GLN C C 74 180.672 180.672 179.163 1.509 25062 12478 1 17 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.452 0.724 25062 12479 1 17 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.889 0.308 25062 12480 1 17 . 1 1 74 74 GLN H H 74 8.382 8.382 7.816 0.566 25062 12481 1 17 . 1 1 75 75 LYS N N 75 122.969 122.969 119.477 3.492 25062 12482 1 17 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.044 0.012 25062 12483 1 17 . 1 1 75 75 LYS C C 75 178.547 178.547 178.290 0.257 25062 12484 1 17 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.800 0.427 25062 12485 1 17 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.313 -0.550 25062 12486 1 17 . 1 1 75 75 LYS H H 75 8.248 8.248 7.911 0.337 25062 12487 1 17 . 1 1 76 76 GLU N N 76 117.058 117.058 115.272 1.786 25062 12488 1 17 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.130 -0.035 25062 12489 1 17 . 1 1 76 76 GLU C C 76 176.070 176.070 176.894 -0.824 25062 12490 1 17 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.004 -0.146 25062 12491 1 17 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.185 0.613 25062 12492 1 17 . 1 1 76 76 GLU H H 76 7.522 7.522 7.414 0.108 25062 12493 1 17 . 1 1 77 77 GLY N N 77 106.537 106.537 107.441 -0.904 25062 12494 1 17 . 1 1 77 77 GLY C C 77 174.570 174.570 174.038 0.532 25062 12495 1 17 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.709 -0.230 25062 12496 1 17 . 1 1 77 77 GLY H H 77 7.797 7.797 7.513 0.284 25062 12497 1 17 . 1 1 78 78 LEU N N 78 121.257 121.257 118.037 3.220 25062 12498 1 17 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.793 -0.387 25062 12499 1 17 . 1 1 78 78 LEU C C 78 176.139 176.139 176.470 -0.331 25062 12500 1 17 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.251 1.053 25062 12501 1 17 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.557 -1.445 25062 12502 1 17 . 1 1 78 78 LEU H H 78 8.008 8.008 7.477 0.531 25062 12503 1 17 . 1 1 79 79 ARG N N 79 121.135 121.135 121.631 -0.496 25062 12504 1 17 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.493 -0.089 25062 12505 1 17 . 1 1 79 79 ARG C C 79 174.598 174.598 174.729 -0.131 25062 12506 1 17 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.528 0.356 25062 12507 1 17 . 1 1 79 79 ARG CB C 79 31.367 31.367 31.033 0.334 25062 12508 1 17 . 1 1 79 79 ARG H H 79 8.062 8.062 8.053 0.009 25062 12509 1 17 . 1 1 80 80 VAL N N 80 123.517 123.517 123.670 -0.153 25062 12510 1 17 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.825 -0.060 25062 12511 1 17 . 1 1 80 80 VAL C C 80 175.373 175.373 175.026 0.347 25062 12512 1 17 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.170 0.467 25062 12513 1 17 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.693 1.310 25062 12514 1 17 . 1 1 80 80 VAL H H 80 8.377 8.377 8.564 -0.187 25062 12515 1 17 . 1 1 81 81 ILE N N 81 129.083 129.083 129.300 -0.217 25062 12516 1 17 . 1 1 81 81 ILE HA H 81 4.883 4.883 5.014 -0.131 25062 12517 1 17 . 1 1 81 81 ILE C C 81 173.899 173.899 175.047 -1.148 25062 12518 1 17 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.432 0.294 25062 12519 1 17 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.823 1.259 25062 12520 1 17 . 1 1 81 81 ILE H H 81 8.812 8.812 8.602 0.210 25062 12521 1 17 . 1 1 82 82 VAL N N 82 126.531 126.531 128.676 -2.145 25062 12522 1 17 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.714 0.273 25062 12523 1 17 . 1 1 82 82 VAL C C 82 174.164 174.164 175.124 -0.960 25062 12524 1 17 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.348 -1.024 25062 12525 1 17 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.797 1.620 25062 12526 1 17 . 1 1 82 82 VAL H H 82 9.085 9.085 8.310 0.775 25062 12527 1 17 . 1 1 83 83 ILE N N 83 127.143 127.143 128.954 -1.811 25062 12528 1 17 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.929 -0.025 25062 12529 1 17 . 1 1 83 83 ILE C C 83 174.044 174.044 175.641 -1.597 25062 12530 1 17 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.040 -0.024 25062 12531 1 17 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.338 0.478 25062 12532 1 17 . 1 1 83 83 ILE H H 83 9.391 9.391 8.718 0.673 25062 12533 1 17 . 1 1 84 84 ILE N N 84 126.750 126.750 128.739 -1.989 25062 12534 1 17 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.768 -0.322 25062 12535 1 17 . 1 1 84 84 ILE C C 84 174.788 174.788 175.938 -1.150 25062 12536 1 17 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.498 0.554 25062 12537 1 17 . 1 1 84 84 ILE CB C 84 40.032 40.032 39.144 0.888 25062 12538 1 17 . 1 1 84 84 ILE H H 84 8.714 8.714 8.597 0.117 25062 12539 1 17 . 1 1 85 85 VAL N N 85 127.160 127.160 129.801 -2.641 25062 12540 1 17 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.826 0.153 25062 12541 1 17 . 1 1 85 85 VAL C C 85 176.539 176.539 174.925 1.614 25062 12542 1 17 . 1 1 85 85 VAL CA C 85 60.062 60.062 60.985 -0.923 25062 12543 1 17 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.172 0.702 25062 12544 1 17 . 1 1 85 85 VAL H H 85 8.464 8.464 8.925 -0.461 25062 12545 1 17 . 1 1 86 86 SER N N 86 121.723 121.723 120.999 0.724 25062 12546 1 17 . 1 1 86 86 SER HA H 86 4.490 4.490 4.945 -0.455 25062 12547 1 17 . 1 1 86 86 SER C C 86 172.447 172.447 173.890 -1.443 25062 12548 1 17 . 1 1 86 86 SER CA C 86 58.131 58.131 57.444 0.687 25062 12549 1 17 . 1 1 86 86 SER CB C 86 64.121 64.121 67.235 -3.114 25062 12550 1 17 . 1 1 86 86 SER H H 86 8.725 8.725 8.843 -0.118 25062 12551 1 17 . 1 1 87 87 GLN N N 87 121.657 121.657 122.304 -0.647 25062 12552 1 17 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.515 0.054 25062 12553 1 17 . 1 1 87 87 GLN C C 87 175.732 175.732 174.816 0.916 25062 12554 1 17 . 1 1 87 87 GLN CA C 87 56.426 56.426 56.236 0.190 25062 12555 1 17 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.977 0.142 25062 12556 1 17 . 1 1 87 87 GLN H H 87 8.516 8.516 8.897 -0.381 25062 12557 1 17 . 1 1 88 88 ASP N N 88 121.146 121.146 118.628 2.518 25062 12558 1 17 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.772 -0.072 25062 12559 1 17 . 1 1 88 88 ASP C C 88 175.752 175.752 176.392 -0.640 25062 12560 1 17 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.319 -0.240 25062 12561 1 17 . 1 1 88 88 ASP CB C 88 41.203 41.203 42.853 -1.650 25062 12562 1 17 . 1 1 88 88 ASP H H 88 8.459 8.459 7.735 0.724 25062 12563 1 17 . 1 1 89 89 GLU N N 89 125.736 125.736 125.534 0.202 25062 12564 1 17 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.981 -0.047 25062 12565 1 17 . 1 1 89 89 GLU C C 89 178.820 178.820 177.715 1.105 25062 12566 1 17 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.893 -0.349 25062 12567 1 17 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.941 -0.314 25062 12568 1 17 . 1 1 89 89 GLU H H 89 8.840 8.840 8.903 -0.063 25062 12569 1 17 . 1 1 90 90 GLU N N 90 119.813 119.813 119.385 0.428 25062 12570 1 17 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.153 0.083 25062 12571 1 17 . 1 1 90 90 GLU C C 90 178.385 178.385 178.401 -0.016 25062 12572 1 17 . 1 1 90 90 GLU CA C 90 58.807 58.807 58.888 -0.081 25062 12573 1 17 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.348 -0.171 25062 12574 1 17 . 1 1 90 90 GLU H H 90 8.300 8.300 8.269 0.031 25062 12575 1 17 . 1 1 91 91 ALA N N 91 123.211 123.211 122.565 0.646 25062 12576 1 17 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.189 -0.058 25062 12577 1 17 . 1 1 91 91 ALA C C 91 181.895 181.895 179.862 2.033 25062 12578 1 17 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.823 -0.123 25062 12579 1 17 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.366 -0.485 25062 12580 1 17 . 1 1 91 91 ALA H H 91 7.670 7.670 8.060 -0.390 25062 12581 1 17 . 1 1 92 92 LEU N N 92 118.903 118.903 119.359 -0.456 25062 12582 1 17 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.975 0.030 25062 12583 1 17 . 1 1 92 92 LEU C C 92 177.951 177.951 178.987 -1.036 25062 12584 1 17 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.031 -0.081 25062 12585 1 17 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.675 0.506 25062 12586 1 17 . 1 1 92 92 LEU H H 92 8.190 8.190 8.050 0.140 25062 12587 1 17 . 1 1 93 93 ARG N N 93 118.916 118.916 118.531 0.385 25062 12588 1 17 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.126 -0.028 25062 12589 1 17 . 1 1 93 93 ARG C C 93 178.775 178.775 178.550 0.225 25062 12590 1 17 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.356 -0.014 25062 12591 1 17 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.230 -0.085 25062 12592 1 17 . 1 1 93 93 ARG H H 93 7.868 7.868 8.158 -0.290 25062 12593 1 17 . 1 1 94 94 LYS N N 94 118.989 118.989 119.228 -0.239 25062 12594 1 17 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.101 -0.044 25062 12595 1 17 . 1 1 94 94 LYS C C 94 179.270 179.270 179.197 0.073 25062 12596 1 17 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.516 -0.281 25062 12597 1 17 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.217 0.217 25062 12598 1 17 . 1 1 94 94 LYS H H 94 8.236 8.236 7.922 0.314 25062 12599 1 17 . 1 1 95 95 GLY N N 95 107.084 107.084 106.959 0.125 25062 12600 1 17 . 1 1 95 95 GLY C C 95 175.285 175.285 175.634 -0.349 25062 12601 1 17 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.751 0.294 25062 12602 1 17 . 1 1 95 95 GLY H H 95 8.296 8.296 7.708 0.588 25062 12603 1 17 . 1 1 96 96 TYR N N 96 121.591 121.591 123.463 -1.872 25062 12604 1 17 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.081 -0.035 25062 12605 1 17 . 1 1 96 96 TYR C C 96 176.428 176.428 177.607 -1.179 25062 12606 1 17 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.276 0.168 25062 12607 1 17 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.505 0.085 25062 12608 1 17 . 1 1 96 96 TYR H H 96 8.372 8.372 8.064 0.308 25062 12609 1 17 . 1 1 97 97 GLU N N 97 117.883 117.883 116.945 0.938 25062 12610 1 17 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.707 0.124 25062 12611 1 17 . 1 1 97 97 GLU C C 97 178.775 178.775 178.885 -0.110 25062 12612 1 17 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.402 -0.153 25062 12613 1 17 . 1 1 97 97 GLU CB C 97 29.542 29.542 28.954 0.588 25062 12614 1 17 . 1 1 97 97 GLU H H 97 8.205 8.205 8.281 -0.076 25062 12615 1 17 . 1 1 98 98 ASP N N 98 117.644 117.644 120.245 -2.601 25062 12616 1 17 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.354 -0.009 25062 12617 1 17 . 1 1 98 98 ASP C C 98 177.978 177.978 178.653 -0.675 25062 12618 1 17 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.121 -0.008 25062 12619 1 17 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.939 1.052 25062 12620 1 17 . 1 1 98 98 ASP H H 98 8.139 8.139 7.863 0.276 25062 12621 1 17 . 1 1 99 99 LYS N N 99 116.691 116.691 118.155 -1.464 25062 12622 1 17 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.258 -0.234 25062 12623 1 17 . 1 1 99 99 LYS C C 99 178.061 178.061 178.622 -0.561 25062 12624 1 17 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.375 -0.369 25062 12625 1 17 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.565 -0.189 25062 12626 1 17 . 1 1 99 99 LYS H H 99 7.886 7.886 7.801 0.085 25062 12627 1 17 . 1 1 100 100 LYS N N 100 120.645 120.645 121.075 -0.430 25062 12628 1 17 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.373 -0.299 25062 12629 1 17 . 1 1 100 100 LYS C C 100 180.486 180.486 179.659 0.827 25062 12630 1 17 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.909 -0.726 25062 12631 1 17 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.027 -0.661 25062 12632 1 17 . 1 1 100 100 LYS H H 100 8.395 8.395 7.725 0.670 25062 12633 1 17 . 1 1 101 101 LYS N N 101 119.297 119.297 118.908 0.389 25062 12634 1 17 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.080 0.002 25062 12635 1 17 . 1 1 101 101 LYS C C 101 177.669 177.669 177.795 -0.126 25062 12636 1 17 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.443 0.023 25062 12637 1 17 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.405 -0.160 25062 12638 1 17 . 1 1 101 101 LYS H H 101 7.713 7.713 8.073 -0.360 25062 12639 1 17 . 1 1 102 102 LYS N N 102 116.847 116.847 116.969 -0.122 25062 12640 1 17 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.163 -0.070 25062 12641 1 17 . 1 1 102 102 LYS C C 102 176.357 176.357 176.246 0.111 25062 12642 1 17 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.478 0.311 25062 12643 1 17 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.225 -0.222 25062 12644 1 17 . 1 1 102 102 LYS H H 102 7.124 7.124 7.422 -0.298 25062 12645 1 17 . 1 1 103 103 GLY N N 103 105.781 105.781 106.181 -0.400 25062 12646 1 17 . 1 1 103 103 GLY C C 103 174.378 174.378 175.081 -0.703 25062 12647 1 17 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.893 0.161 25062 12648 1 17 . 1 1 103 103 GLY H H 103 7.771 7.771 7.381 0.390 25062 12649 1 17 . 1 1 104 104 TYR N N 104 119.257 119.257 119.774 -0.517 25062 12650 1 17 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.461 0.477 25062 12651 1 17 . 1 1 104 104 TYR C C 104 175.223 175.223 175.011 0.212 25062 12652 1 17 . 1 1 104 104 TYR CA C 104 54.451 54.451 57.206 -2.755 25062 12653 1 17 . 1 1 104 104 TYR CB C 104 37.745 37.745 38.623 -0.878 25062 12654 1 17 . 1 1 104 104 TYR H H 104 6.914 6.914 7.335 -0.421 25062 12655 1 17 . 1 1 105 105 ASP N N 105 122.574 122.574 122.296 0.278 25062 12656 1 17 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.784 -0.003 25062 12657 1 17 . 1 1 105 105 ASP C C 105 174.818 174.818 174.726 0.092 25062 12658 1 17 . 1 1 105 105 ASP CA C 105 54.215 54.215 53.803 0.412 25062 12659 1 17 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.782 0.019 25062 12660 1 17 . 1 1 105 105 ASP H H 105 8.223 8.223 8.398 -0.175 25062 12661 1 17 . 1 1 106 106 VAL N N 106 121.990 121.990 125.680 -3.690 25062 12662 1 17 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.743 0.514 25062 12663 1 17 . 1 1 106 106 VAL C C 106 173.835 173.835 175.699 -1.864 25062 12664 1 17 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.231 -1.189 25062 12665 1 17 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.925 1.454 25062 12666 1 17 . 1 1 106 106 VAL H H 106 7.876 7.876 8.112 -0.236 25062 12667 1 17 . 1 1 107 107 TYR N N 107 125.444 125.444 128.630 -3.186 25062 12668 1 17 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.885 0.122 25062 12669 1 17 . 1 1 107 107 TYR C C 107 174.765 174.765 175.244 -0.479 25062 12670 1 17 . 1 1 107 107 TYR CA C 107 56.065 56.065 57.223 -1.158 25062 12671 1 17 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.230 0.659 25062 12672 1 17 . 1 1 107 107 TYR H H 107 9.400 9.400 8.937 0.463 25062 12673 1 17 . 1 1 108 108 THR N N 108 111.100 111.100 111.151 -0.051 25062 12674 1 17 . 1 1 108 108 THR HA H 108 5.212 5.212 5.386 -0.174 25062 12675 1 17 . 1 1 108 108 THR C C 108 174.350 174.350 173.562 0.788 25062 12676 1 17 . 1 1 108 108 THR CA C 108 59.514 59.514 59.870 -0.356 25062 12677 1 17 . 1 1 108 108 THR CB C 108 70.911 70.911 71.885 -0.974 25062 12678 1 17 . 1 1 108 108 THR H H 108 8.801 8.801 8.266 0.535 25062 12679 1 17 . 1 1 109 109 SER N N 109 114.650 114.650 116.258 -1.608 25062 12680 1 17 . 1 1 109 109 SER HA H 109 4.901 4.901 4.859 0.042 25062 12681 1 17 . 1 1 109 109 SER C C 109 172.399 172.399 174.454 -2.055 25062 12682 1 17 . 1 1 109 109 SER CA C 109 57.974 57.974 57.379 0.595 25062 12683 1 17 . 1 1 109 109 SER CB C 109 67.764 67.764 66.901 0.863 25062 12684 1 17 . 1 1 109 109 SER H H 109 8.565 8.565 8.715 -0.150 25062 12685 1 17 . 1 1 110 110 ARG N N 110 119.807 119.807 122.216 -2.409 25062 12686 1 17 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.829 0.180 25062 12687 1 17 . 1 1 110 110 ARG C C 110 175.995 175.995 176.274 -0.279 25062 12688 1 17 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.374 -1.365 25062 12689 1 17 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.066 0.751 25062 12690 1 17 . 1 1 110 110 ARG H H 110 8.948 8.948 8.634 0.314 25062 12691 1 17 . 1 1 111 111 ASN N N 111 110.690 110.690 112.479 -1.789 25062 12692 1 17 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.733 -0.100 25062 12693 1 17 . 1 1 111 111 ASN C C 111 174.460 174.460 174.873 -0.413 25062 12694 1 17 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.616 -1.246 25062 12695 1 17 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.504 0.613 25062 12696 1 17 . 1 1 111 111 ASN H H 111 7.426 7.426 7.472 -0.046 25062 12697 1 17 . 1 1 112 112 GLU N N 112 119.451 119.451 119.095 0.356 25062 12698 1 17 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.943 -0.135 25062 12699 1 17 . 1 1 112 112 GLU C C 112 176.445 176.445 177.495 -1.050 25062 12700 1 17 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.038 0.155 25062 12701 1 17 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.403 1.203 25062 12702 1 17 . 1 1 112 112 GLU H H 112 9.529 9.529 8.703 0.826 25062 12703 1 17 . 1 1 113 113 ASP N N 113 120.739 120.739 119.137 1.602 25062 12704 1 17 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.324 0.045 25062 12705 1 17 . 1 1 113 113 ASP C C 113 179.043 179.043 178.958 0.085 25062 12706 1 17 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.826 0.279 25062 12707 1 17 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.211 0.736 25062 12708 1 17 . 1 1 113 113 ASP H H 113 8.256 8.256 8.527 -0.271 25062 12709 1 17 . 1 1 114 114 GLU N N 114 119.817 119.817 119.375 0.442 25062 12710 1 17 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.164 -0.114 25062 12711 1 17 . 1 1 114 114 GLU C C 114 178.770 178.770 178.347 0.423 25062 12712 1 17 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.985 0.255 25062 12713 1 17 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.004 1.652 25062 12714 1 17 . 1 1 114 114 GLU H H 114 8.577 8.577 8.055 0.522 25062 12715 1 17 . 1 1 115 115 ALA N N 115 121.470 121.470 123.691 -2.221 25062 12716 1 17 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.045 0.010 25062 12717 1 17 . 1 1 115 115 ALA C C 115 178.962 178.962 179.150 -0.188 25062 12718 1 17 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.194 0.019 25062 12719 1 17 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.351 1.506 25062 12720 1 17 . 1 1 115 115 ALA H H 115 8.358 8.358 7.857 0.501 25062 12721 1 17 . 1 1 116 116 LYS N N 116 117.285 117.285 118.594 -1.309 25062 12722 1 17 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.917 -0.259 25062 12723 1 17 . 1 1 116 116 LYS C C 116 178.583 178.583 178.643 -0.060 25062 12724 1 17 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.615 1.302 25062 12725 1 17 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.296 0.515 25062 12726 1 17 . 1 1 116 116 LYS H H 116 8.350 8.350 8.366 -0.016 25062 12727 1 17 . 1 1 117 117 LYS N N 117 118.433 118.433 119.624 -1.191 25062 12728 1 17 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.036 -0.050 25062 12729 1 17 . 1 1 117 117 LYS C C 117 179.380 179.380 179.223 0.157 25062 12730 1 17 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.010 0.595 25062 12731 1 17 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.081 0.301 25062 12732 1 17 . 1 1 117 117 LYS H H 117 7.345 7.345 7.517 -0.172 25062 12733 1 17 . 1 1 118 118 LYS N N 118 118.166 118.166 118.155 0.011 25062 12734 1 17 . 1 1 118 118 LYS HA H 118 3.939 3.939 4.001 -0.062 25062 12735 1 17 . 1 1 118 118 LYS C C 118 178.088 178.088 179.010 -0.922 25062 12736 1 17 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.058 -0.502 25062 12737 1 17 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.995 -0.855 25062 12738 1 17 . 1 1 118 118 LYS H H 118 8.130 8.130 8.063 0.067 25062 12739 1 17 . 1 1 119 119 LEU N N 119 120.654 120.654 121.479 -0.825 25062 12740 1 17 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.962 -0.178 25062 12741 1 17 . 1 1 119 119 LEU C C 119 177.567 177.567 178.157 -0.590 25062 12742 1 17 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.538 0.376 25062 12743 1 17 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.775 0.399 25062 12744 1 17 . 1 1 119 119 LEU H H 119 8.592 8.592 7.970 0.622 25062 12745 1 17 . 1 1 120 120 LYS N N 120 118.314 118.314 118.388 -0.074 25062 12746 1 17 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.792 -0.247 25062 12747 1 17 . 1 1 120 120 LYS C C 120 178.624 178.624 178.947 -0.323 25062 12748 1 17 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.476 0.814 25062 12749 1 17 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.895 -0.131 25062 12750 1 17 . 1 1 120 120 LYS H H 120 7.753 7.753 7.930 -0.177 25062 12751 1 17 . 1 1 121 121 GLU N N 121 118.446 118.446 120.167 -1.721 25062 12752 1 17 . 1 1 121 121 GLU HA H 121 4.006 4.006 3.986 0.020 25062 12753 1 17 . 1 1 121 121 GLU C C 121 178.744 178.744 178.618 0.126 25062 12754 1 17 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.492 0.047 25062 12755 1 17 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.409 -0.046 25062 12756 1 17 . 1 1 121 121 GLU H H 121 7.777 7.777 7.980 -0.203 25062 12757 1 17 . 1 1 122 122 ALA N N 122 121.333 121.333 121.417 -0.084 25062 12758 1 17 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.071 -0.115 25062 12759 1 17 . 1 1 122 122 ALA C C 122 179.973 179.973 179.674 0.299 25062 12760 1 17 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.668 0.292 25062 12761 1 17 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.359 0.069 25062 12762 1 17 . 1 1 122 122 ALA H H 122 8.229 8.229 7.526 0.704 25062 12763 1 17 . 1 1 123 123 LEU N N 123 118.790 118.790 119.095 -0.305 25062 12764 1 17 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.007 -0.227 25062 12765 1 17 . 1 1 123 123 LEU C C 123 179.703 179.703 179.196 0.507 25062 12766 1 17 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.526 0.363 25062 12767 1 17 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.768 -0.916 25062 12768 1 17 . 1 1 123 123 LEU H H 123 8.177 8.177 7.826 0.351 25062 12769 1 17 . 1 1 124 124 GLU N N 124 120.881 120.881 117.837 3.044 25062 12770 1 17 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.159 -0.015 25062 12771 1 17 . 1 1 124 124 GLU C C 124 179.732 179.732 179.077 0.655 25062 12772 1 17 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.252 0.187 25062 12773 1 17 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.448 0.072 25062 12774 1 17 . 1 1 124 124 GLU H H 124 8.393 8.393 7.973 0.420 25062 12775 1 17 . 1 1 125 125 LYS N N 125 119.526 119.526 118.794 0.732 25062 12776 1 17 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.205 0.054 25062 12777 1 17 . 1 1 125 125 LYS C C 125 177.862 177.862 177.766 0.096 25062 12778 1 17 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.193 -0.248 25062 12779 1 17 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.583 -0.226 25062 12780 1 17 . 1 1 125 125 LYS H H 125 8.290 8.290 8.037 0.253 25062 12781 1 17 . 1 1 126 126 SER N N 126 114.103 114.103 111.457 2.646 25062 12782 1 17 . 1 1 126 126 SER HA H 126 4.385 4.385 4.431 -0.046 25062 12783 1 17 . 1 1 126 126 SER C C 126 174.460 174.460 175.475 -1.015 25062 12784 1 17 . 1 1 126 126 SER CA C 126 59.611 59.611 59.911 -0.300 25062 12785 1 17 . 1 1 126 126 SER CB C 126 63.479 63.479 64.608 -1.129 25062 12786 1 17 . 1 1 126 126 SER H H 126 7.702 7.702 7.821 -0.119 25062 12787 1 17 . 1 1 127 127 GLY N N 127 108.584 108.584 109.682 -1.098 25062 12788 1 17 . 1 1 127 127 GLY C C 127 174.103 174.103 175.392 -1.289 25062 12789 1 17 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.110 0.327 25062 12790 1 17 . 1 1 127 127 GLY H H 127 7.933 7.933 7.808 0.125 25062 12791 1 17 . 1 1 128 128 SER N N 128 115.990 115.990 116.955 -0.965 25062 12792 1 17 . 1 1 128 128 SER HA H 128 4.590 4.590 4.334 0.256 25062 12793 1 17 . 1 1 128 128 SER C C 128 174.412 174.412 175.137 -0.725 25062 12794 1 17 . 1 1 128 128 SER CA C 128 57.986 57.986 60.357 -2.371 25062 12795 1 17 . 1 1 128 128 SER CB C 128 63.336 63.336 64.486 -1.150 25062 12796 1 17 . 1 1 128 128 SER H H 128 8.091 8.091 8.095 -0.004 25062 12797 1 17 . 1 1 129 129 LEU N N 129 125.492 125.492 118.423 7.069 25062 12798 1 17 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.173 0.268 25062 12799 1 17 . 1 1 129 129 LEU C C 129 177.084 177.084 175.879 1.205 25062 12800 1 17 . 1 1 129 129 LEU CA C 129 54.876 54.876 55.386 -0.510 25062 12801 1 17 . 1 1 129 129 LEU CB C 129 42.309 42.309 41.895 0.414 25062 12802 1 17 . 1 1 129 129 LEU H H 129 8.262 8.262 7.462 0.800 25062 12803 1 17 . 1 1 130 130 GLU N N 130 121.006 121.006 119.827 1.179 25062 12804 1 17 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.037 -0.062 25062 12805 1 17 . 1 1 130 130 GLU C C 130 176.435 176.435 175.958 0.477 25062 12806 1 17 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.891 0.921 25062 12807 1 17 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.102 0.176 25062 12808 1 17 . 1 1 130 130 GLU H H 130 8.398 8.398 8.401 -0.003 25062 12809 1 17 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.416 0.175 25062 12810 1 17 . 1 1 131 131 HIS C C 131 174.179 174.179 175.869 -1.690 25062 12811 1 17 . 1 1 131 131 HIS CA C 131 56.149 56.149 58.355 -2.206 25062 12812 1 17 . 1 1 131 131 HIS CB C 131 30.831 30.831 30.435 0.396 25062 12813 1 17 . 1 1 132 132 HIS N N 132 125.794 125.794 117.270 8.524 25062 12814 1 17 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.857 -0.441 25062 12815 1 17 . 1 1 132 132 HIS C C 132 179.523 179.523 174.190 5.333 25062 12816 1 17 . 1 1 132 132 HIS CA C 132 57.516 57.516 54.079 3.437 25062 12817 1 17 . 1 1 132 132 HIS CB C 132 31.008 31.008 31.552 -0.544 25062 12818 1 17 . 1 1 132 132 HIS H H 132 7.935 7.935 8.016 -0.081 25062 12819 1 18 . 1 1 2 2 GLY N N 2 109.342 109.342 109.339 0.003 25062 12820 1 18 . 1 1 2 2 GLY C C 2 172.736 172.736 173.208 -0.472 25062 12821 1 18 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.941 0.715 25062 12822 1 18 . 1 1 2 2 GLY H H 2 8.632 8.632 8.020 0.612 25062 12823 1 18 . 1 1 3 3 VAL N N 3 123.457 123.457 125.217 -1.760 25062 12824 1 18 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.493 0.488 25062 12825 1 18 . 1 1 3 3 VAL C C 3 173.780 173.780 174.793 -1.013 25062 12826 1 18 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.736 -1.386 25062 12827 1 18 . 1 1 3 3 VAL CB C 3 36.113 36.113 34.976 1.137 25062 12828 1 18 . 1 1 3 3 VAL H H 3 7.516 7.516 7.665 -0.149 25062 12829 1 18 . 1 1 4 4 VAL N N 4 125.375 125.375 127.670 -2.295 25062 12830 1 18 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.574 -0.043 25062 12831 1 18 . 1 1 4 4 VAL C C 4 173.185 173.185 175.050 -1.865 25062 12832 1 18 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.459 -0.958 25062 12833 1 18 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.984 0.811 25062 12834 1 18 . 1 1 4 4 VAL H H 4 8.810 8.810 8.725 0.085 25062 12835 1 18 . 1 1 5 5 ILE N N 5 127.180 127.180 128.636 -1.456 25062 12836 1 18 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.607 0.262 25062 12837 1 18 . 1 1 5 5 ILE C C 5 174.303 174.303 174.981 -0.678 25062 12838 1 18 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.269 -0.859 25062 12839 1 18 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.435 0.208 25062 12840 1 18 . 1 1 5 5 ILE H H 5 8.800 8.800 9.012 -0.212 25062 12841 1 18 . 1 1 6 6 LEU N N 6 129.025 129.025 129.763 -0.738 25062 12842 1 18 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.863 0.150 25062 12843 1 18 . 1 1 6 6 LEU C C 6 174.847 174.847 176.362 -1.515 25062 12844 1 18 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.635 -0.167 25062 12845 1 18 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.859 2.433 25062 12846 1 18 . 1 1 6 6 LEU H H 6 9.424 9.424 8.723 0.701 25062 12847 1 18 . 1 1 7 7 VAL N N 7 123.364 123.364 126.282 -2.918 25062 12848 1 18 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.449 0.208 25062 12849 1 18 . 1 1 7 7 VAL C C 7 174.210 174.210 175.392 -1.182 25062 12850 1 18 . 1 1 7 7 VAL CA C 7 60.827 60.827 60.852 -0.025 25062 12851 1 18 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.191 1.062 25062 12852 1 18 . 1 1 7 7 VAL H H 7 8.653 8.653 8.551 0.102 25062 12853 1 18 . 1 1 8 8 LEU N N 8 130.560 130.560 131.531 -0.971 25062 12854 1 18 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.146 0.150 25062 12855 1 18 . 1 1 8 8 LEU C C 8 175.744 175.744 176.854 -1.110 25062 12856 1 18 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.097 -0.211 25062 12857 1 18 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.574 0.922 25062 12858 1 18 . 1 1 8 8 LEU H H 8 9.069 9.069 8.586 0.483 25062 12859 1 18 . 1 1 9 9 THR N N 9 112.810 112.810 114.831 -2.021 25062 12860 1 18 . 1 1 9 9 THR HA H 9 4.959 4.959 5.201 -0.242 25062 12861 1 18 . 1 1 9 9 THR C C 9 174.213 174.213 176.440 -2.227 25062 12862 1 18 . 1 1 9 9 THR CA C 9 59.948 59.948 59.699 0.249 25062 12863 1 18 . 1 1 9 9 THR CB C 9 70.756 70.756 70.930 -0.174 25062 12864 1 18 . 1 1 9 9 THR H H 9 8.028 8.028 8.297 -0.269 25062 12865 1 18 . 1 1 10 10 GLY N N 10 107.740 107.740 112.705 -4.965 25062 12866 1 18 . 1 1 10 10 GLY C C 10 173.064 173.064 172.928 0.136 25062 12867 1 18 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.163 -0.733 25062 12868 1 18 . 1 1 10 10 GLY H H 10 7.827 7.827 8.845 -1.018 25062 12869 1 18 . 1 1 11 11 ASP N N 11 119.119 119.119 119.893 -0.774 25062 12870 1 18 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.776 0.077 25062 12871 1 18 . 1 1 11 11 ASP C C 11 176.118 176.118 175.979 0.139 25062 12872 1 18 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.093 -0.121 25062 12873 1 18 . 1 1 11 11 ASP CB C 11 43.241 43.241 42.235 1.006 25062 12874 1 18 . 1 1 11 11 ASP H H 11 7.642 7.642 7.842 -0.200 25062 12875 1 18 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.992 0.108 25062 12876 1 18 . 1 1 12 12 GLU C C 12 178.508 178.508 178.074 0.434 25062 12877 1 18 . 1 1 12 12 GLU CA C 12 58.464 58.464 58.839 -0.375 25062 12878 1 18 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.041 -0.708 25062 12879 1 18 . 1 1 13 13 ARG N N 13 121.589 121.589 119.493 2.096 25062 12880 1 18 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.051 0.086 25062 12881 1 18 . 1 1 13 13 ARG C C 13 179.625 179.625 178.560 1.065 25062 12882 1 18 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.916 0.502 25062 12883 1 18 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.813 -0.458 25062 12884 1 18 . 1 1 13 13 ARG H H 13 8.593 8.593 8.157 0.436 25062 12885 1 18 . 1 1 14 14 ILE N N 14 119.911 119.911 118.830 1.081 25062 12886 1 18 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.742 -0.092 25062 12887 1 18 . 1 1 14 14 ILE C C 14 177.727 177.727 177.451 0.276 25062 12888 1 18 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.673 0.485 25062 12889 1 18 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.767 -0.428 25062 12890 1 18 . 1 1 14 14 ILE H H 14 7.823 7.823 7.715 0.108 25062 12891 1 18 . 1 1 15 15 ALA N N 15 121.015 121.015 120.464 0.551 25062 12892 1 18 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.919 -0.200 25062 12893 1 18 . 1 1 15 15 ALA C C 15 178.994 178.994 179.056 -0.062 25062 12894 1 18 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.161 0.729 25062 12895 1 18 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.831 0.020 25062 12896 1 18 . 1 1 15 15 ALA H H 15 7.610 7.610 7.764 -0.154 25062 12897 1 18 . 1 1 16 16 GLU N N 16 117.655 117.655 118.853 -1.198 25062 12898 1 18 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.781 0.353 25062 12899 1 18 . 1 1 16 16 GLU C C 16 178.517 178.517 178.625 -0.108 25062 12900 1 18 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.222 -0.943 25062 12901 1 18 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.434 -0.212 25062 12902 1 18 . 1 1 16 16 GLU H H 16 7.808 7.808 7.739 0.069 25062 12903 1 18 . 1 1 17 17 GLU N N 17 119.648 119.648 119.892 -0.244 25062 12904 1 18 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.036 0.018 25062 12905 1 18 . 1 1 17 17 GLU C C 17 180.213 180.213 179.463 0.750 25062 12906 1 18 . 1 1 17 17 GLU CA C 17 59.234 59.234 59.140 0.094 25062 12907 1 18 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.590 -0.438 25062 12908 1 18 . 1 1 17 17 GLU H H 17 8.002 8.002 7.516 0.486 25062 12909 1 18 . 1 1 18 18 LEU N N 18 119.118 119.118 119.138 -0.020 25062 12910 1 18 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.034 0.066 25062 12911 1 18 . 1 1 18 18 LEU C C 18 178.233 178.233 178.717 -0.484 25062 12912 1 18 . 1 1 18 18 LEU CA C 18 57.806 57.806 58.025 -0.219 25062 12913 1 18 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.733 -0.863 25062 12914 1 18 . 1 1 18 18 LEU H H 18 8.554 8.554 8.283 0.271 25062 12915 1 18 . 1 1 19 19 ARG N N 19 122.158 122.158 119.779 2.379 25062 12916 1 18 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.158 -0.343 25062 12917 1 18 . 1 1 19 19 ARG C C 19 178.686 178.686 178.346 0.340 25062 12918 1 18 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.713 1.203 25062 12919 1 18 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.824 -0.485 25062 12920 1 18 . 1 1 19 19 ARG H H 19 8.274 8.274 7.488 0.786 25062 12921 1 18 . 1 1 20 20 LYS N N 20 118.130 118.130 118.413 -0.283 25062 12922 1 18 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.977 -0.042 25062 12923 1 18 . 1 1 20 20 LYS C C 20 179.078 179.078 179.112 -0.034 25062 12924 1 18 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.563 0.190 25062 12925 1 18 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.114 0.326 25062 12926 1 18 . 1 1 20 20 LYS H H 20 7.977 7.977 7.952 0.025 25062 12927 1 18 . 1 1 21 21 GLU N N 21 120.451 120.451 119.256 1.195 25062 12928 1 18 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.146 -0.091 25062 12929 1 18 . 1 1 21 21 GLU C C 21 178.995 178.995 179.166 -0.171 25062 12930 1 18 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.083 0.020 25062 12931 1 18 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.156 0.007 25062 12932 1 18 . 1 1 21 21 GLU H H 21 7.813 7.813 7.714 0.099 25062 12933 1 18 . 1 1 22 22 VAL N N 22 119.654 119.654 119.947 -0.293 25062 12934 1 18 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.648 -0.208 25062 12935 1 18 . 1 1 22 22 VAL C C 22 176.428 176.428 178.291 -1.863 25062 12936 1 18 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.243 -0.122 25062 12937 1 18 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.758 -0.306 25062 12938 1 18 . 1 1 22 22 VAL H H 22 8.146 8.146 7.739 0.407 25062 12939 1 18 . 1 1 23 23 GLN N N 23 116.884 116.884 118.774 -1.890 25062 12940 1 18 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.280 -0.328 25062 12941 1 18 . 1 1 23 23 GLN C C 23 177.429 177.429 178.762 -1.333 25062 12942 1 18 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.656 0.111 25062 12943 1 18 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.736 -0.185 25062 12944 1 18 . 1 1 23 23 GLN H H 23 7.588 7.588 7.935 -0.347 25062 12945 1 18 . 1 1 24 24 LYS N N 24 116.529 116.529 117.446 -0.917 25062 12946 1 18 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.159 -0.163 25062 12947 1 18 . 1 1 24 24 LYS C C 24 177.508 177.508 178.572 -1.064 25062 12948 1 18 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.073 0.341 25062 12949 1 18 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.520 0.397 25062 12950 1 18 . 1 1 24 24 LYS H H 24 7.544 7.544 7.973 -0.429 25062 12951 1 18 . 1 1 25 25 HIS N N 25 119.657 119.657 118.775 0.882 25062 12952 1 18 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.417 -0.164 25062 12953 1 18 . 1 1 25 25 HIS C C 25 175.915 175.915 175.466 0.449 25062 12954 1 18 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.776 0.666 25062 12955 1 18 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.012 0.858 25062 12956 1 18 . 1 1 25 25 HIS H H 25 7.809 7.809 7.784 0.025 25062 12957 1 18 . 1 1 26 26 ASP N N 26 113.221 113.221 114.742 -1.521 25062 12958 1 18 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.956 -0.221 25062 12959 1 18 . 1 1 26 26 ASP C C 26 173.856 173.856 174.252 -0.396 25062 12960 1 18 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.479 -0.809 25062 12961 1 18 . 1 1 26 26 ASP CB C 26 42.366 42.366 42.981 -0.615 25062 12962 1 18 . 1 1 26 26 ASP H H 26 8.358 8.358 8.099 0.259 25062 12963 1 18 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.614 -0.048 25062 12964 1 18 . 1 1 27 27 PRO C C 27 176.845 176.845 176.398 0.447 25062 12965 1 18 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.673 0.204 25062 12966 1 18 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.568 -0.283 25062 12967 1 18 . 1 1 28 28 ASN N N 28 115.529 115.529 117.114 -1.585 25062 12968 1 18 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.801 -0.129 25062 12969 1 18 . 1 1 28 28 ASN C C 28 175.632 175.632 175.635 -0.003 25062 12970 1 18 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.157 0.658 25062 12971 1 18 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.169 -0.075 25062 12972 1 18 . 1 1 28 28 ASN H H 28 8.570 8.570 7.946 0.624 25062 12973 1 18 . 1 1 29 29 VAL N N 29 121.867 121.867 120.453 1.414 25062 12974 1 18 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.829 0.055 25062 12975 1 18 . 1 1 29 29 VAL C C 29 175.085 175.085 176.268 -1.183 25062 12976 1 18 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.496 -0.321 25062 12977 1 18 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.847 0.151 25062 12978 1 18 . 1 1 29 29 VAL H H 29 7.465 7.465 7.528 -0.063 25062 12979 1 18 . 1 1 30 30 LYS N N 30 130.242 130.242 127.683 2.559 25062 12980 1 18 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.486 -0.052 25062 12981 1 18 . 1 1 30 30 LYS C C 30 175.093 175.093 175.862 -0.769 25062 12982 1 18 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.447 -0.074 25062 12983 1 18 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.174 -0.747 25062 12984 1 18 . 1 1 30 30 LYS H H 30 9.036 9.036 8.233 0.803 25062 12985 1 18 . 1 1 31 31 THR N N 31 113.173 113.173 113.365 -0.192 25062 12986 1 18 . 1 1 31 31 THR HA H 31 5.688 5.688 5.105 0.583 25062 12987 1 18 . 1 1 31 31 THR C C 31 174.708 174.708 173.522 1.186 25062 12988 1 18 . 1 1 31 31 THR CA C 31 58.537 58.537 60.971 -2.434 25062 12989 1 18 . 1 1 31 31 THR CB C 31 71.419 71.419 71.047 0.372 25062 12990 1 18 . 1 1 31 31 THR H H 31 8.185 8.185 8.372 -0.187 25062 12991 1 18 . 1 1 32 32 VAL N N 32 122.168 122.168 124.963 -2.795 25062 12992 1 18 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.671 0.224 25062 12993 1 18 . 1 1 32 32 VAL C C 32 173.388 173.388 173.930 -0.542 25062 12994 1 18 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.191 -0.458 25062 12995 1 18 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.403 -0.499 25062 12996 1 18 . 1 1 32 32 VAL H H 32 8.968 8.968 8.645 0.323 25062 12997 1 18 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.997 -0.023 25062 12998 1 18 . 1 1 33 33 PRO C C 33 177.848 177.848 177.836 0.012 25062 12999 1 18 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.112 0.230 25062 13000 1 18 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.559 0.462 25062 13001 1 18 . 1 1 34 34 THR N N 34 114.266 114.266 110.598 3.668 25062 13002 1 18 . 1 1 34 34 THR HA H 34 4.118 4.118 4.049 0.069 25062 13003 1 18 . 1 1 34 34 THR C C 34 176.879 176.879 176.268 0.611 25062 13004 1 18 . 1 1 34 34 THR CA C 34 64.607 64.607 65.449 -0.842 25062 13005 1 18 . 1 1 34 34 THR CB C 34 68.311 68.311 69.017 -0.706 25062 13006 1 18 . 1 1 34 34 THR H H 34 9.033 9.033 8.290 0.743 25062 13007 1 18 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.099 0.146 25062 13008 1 18 . 1 1 35 35 LYS C C 35 176.639 176.639 177.550 -0.911 25062 13009 1 18 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.518 -0.384 25062 13010 1 18 . 1 1 35 35 LYS CB C 35 32.303 32.303 32.037 0.266 25062 13011 1 18 . 1 1 36 36 ASP N N 36 120.993 120.993 120.304 0.689 25062 13012 1 18 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.794 0.221 25062 13013 1 18 . 1 1 36 36 ASP C C 36 176.202 176.202 175.985 0.217 25062 13014 1 18 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.059 -0.623 25062 13015 1 18 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.674 0.436 25062 13016 1 18 . 1 1 36 36 ASP H H 36 7.726 7.726 7.817 -0.091 25062 13017 1 18 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.907 0.081 25062 13018 1 18 . 1 1 37 37 LYS C C 37 177.948 177.948 178.021 -0.073 25062 13019 1 18 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.541 -0.233 25062 13020 1 18 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.427 0.421 25062 13021 1 18 . 1 1 38 38 GLU N N 38 119.141 119.141 117.750 1.391 25062 13022 1 18 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.099 0.151 25062 13023 1 18 . 1 1 38 38 GLU C C 38 178.054 178.054 178.414 -0.360 25062 13024 1 18 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.740 -0.238 25062 13025 1 18 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.402 -0.195 25062 13026 1 18 . 1 1 38 38 GLU H H 38 8.883 8.883 8.551 0.332 25062 13027 1 18 . 1 1 39 39 LYS N N 39 118.440 118.440 119.016 -0.576 25062 13028 1 18 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.199 0.308 25062 13029 1 18 . 1 1 39 39 LYS C C 39 177.126 177.126 178.124 -0.998 25062 13030 1 18 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.370 -1.062 25062 13031 1 18 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.457 -0.033 25062 13032 1 18 . 1 1 39 39 LYS H H 39 8.064 8.064 7.352 0.712 25062 13033 1 18 . 1 1 40 40 VAL N N 40 118.130 118.130 119.931 -1.801 25062 13034 1 18 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.464 -0.069 25062 13035 1 18 . 1 1 40 40 VAL C C 40 176.934 176.934 177.153 -0.219 25062 13036 1 18 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.913 0.708 25062 13037 1 18 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.471 0.184 25062 13038 1 18 . 1 1 40 40 VAL H H 40 7.308 7.308 7.769 -0.461 25062 13039 1 18 . 1 1 41 41 LYS N N 41 118.555 118.555 117.136 1.419 25062 13040 1 18 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.688 -0.045 25062 13041 1 18 . 1 1 41 41 LYS C C 41 178.363 178.363 178.261 0.102 25062 13042 1 18 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.136 2.151 25062 13043 1 18 . 1 1 41 41 LYS CB C 41 31.454 31.454 30.745 0.709 25062 13044 1 18 . 1 1 41 41 LYS H H 41 8.150 8.150 8.352 -0.202 25062 13045 1 18 . 1 1 42 42 GLU N N 42 119.454 119.454 118.890 0.564 25062 13046 1 18 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.068 0.030 25062 13047 1 18 . 1 1 42 42 GLU C C 42 179.552 179.552 178.765 0.787 25062 13048 1 18 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.870 0.386 25062 13049 1 18 . 1 1 42 42 GLU CB C 42 29.594 29.594 28.954 0.640 25062 13050 1 18 . 1 1 42 42 GLU H H 42 8.067 8.067 7.468 0.599 25062 13051 1 18 . 1 1 43 43 GLU N N 43 118.427 118.427 118.718 -0.291 25062 13052 1 18 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.111 0.184 25062 13053 1 18 . 1 1 43 43 GLU C C 43 180.076 180.076 179.313 0.763 25062 13054 1 18 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.419 0.036 25062 13055 1 18 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.295 -0.650 25062 13056 1 18 . 1 1 43 43 GLU H H 43 8.189 8.189 7.828 0.361 25062 13057 1 18 . 1 1 44 44 ILE N N 44 122.905 122.905 119.622 3.283 25062 13058 1 18 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.668 -0.033 25062 13059 1 18 . 1 1 44 44 ILE C C 44 176.828 176.828 177.549 -0.721 25062 13060 1 18 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.779 0.618 25062 13061 1 18 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.808 -0.269 25062 13062 1 18 . 1 1 44 44 ILE H H 44 8.734 8.734 8.359 0.375 25062 13063 1 18 . 1 1 45 45 GLU N N 45 120.098 120.098 119.990 0.108 25062 13064 1 18 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.008 0.131 25062 13065 1 18 . 1 1 45 45 GLU C C 45 178.930 178.930 178.663 0.267 25062 13066 1 18 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.774 -0.285 25062 13067 1 18 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.407 -0.259 25062 13068 1 18 . 1 1 45 45 GLU H H 45 8.099 8.099 7.857 0.242 25062 13069 1 18 . 1 1 46 46 LYS N N 46 118.360 118.360 117.342 1.018 25062 13070 1 18 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.218 -0.209 25062 13071 1 18 . 1 1 46 46 LYS C C 46 178.775 178.775 178.791 -0.016 25062 13072 1 18 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.334 1.568 25062 13073 1 18 . 1 1 46 46 LYS CB C 46 32.702 32.702 31.741 0.961 25062 13074 1 18 . 1 1 46 46 LYS H H 46 7.854 7.854 7.495 0.359 25062 13075 1 18 . 1 1 47 47 ALA N N 47 122.551 122.551 123.635 -1.084 25062 13076 1 18 . 1 1 47 47 ALA HA H 47 4.128 4.128 3.942 0.186 25062 13077 1 18 . 1 1 47 47 ALA C C 47 180.095 180.095 179.003 1.092 25062 13078 1 18 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.397 0.006 25062 13079 1 18 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.307 -0.602 25062 13080 1 18 . 1 1 47 47 ALA H H 47 8.135 8.135 7.959 0.176 25062 13081 1 18 . 1 1 48 48 ARG N N 48 118.945 118.945 118.995 -0.050 25062 13082 1 18 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.047 0.010 25062 13083 1 18 . 1 1 48 48 ARG C C 48 179.960 179.960 179.062 0.898 25062 13084 1 18 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.412 -0.125 25062 13085 1 18 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.358 -0.906 25062 13086 1 18 . 1 1 48 48 ARG H H 48 8.655 8.655 8.013 0.642 25062 13087 1 18 . 1 1 49 49 LYS N N 49 119.557 119.557 117.157 2.400 25062 13088 1 18 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.259 -0.202 25062 13089 1 18 . 1 1 49 49 LYS C C 49 178.288 178.288 178.272 0.016 25062 13090 1 18 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.228 0.742 25062 13091 1 18 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.045 0.608 25062 13092 1 18 . 1 1 49 49 LYS H H 49 8.058 8.058 7.584 0.474 25062 13093 1 18 . 1 1 50 50 GLN N N 50 115.215 115.215 117.309 -2.094 25062 13094 1 18 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.480 -0.103 25062 13095 1 18 . 1 1 50 50 GLN C C 50 176.439 176.439 176.223 0.216 25062 13096 1 18 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.133 0.840 25062 13097 1 18 . 1 1 50 50 GLN CB C 50 29.808 29.808 28.845 0.963 25062 13098 1 18 . 1 1 50 50 GLN H H 50 7.938 7.938 7.773 0.165 25062 13099 1 18 . 1 1 51 51 GLY N N 51 109.413 109.413 108.944 0.469 25062 13100 1 18 . 1 1 51 51 GLY C C 51 174.570 174.570 174.328 0.242 25062 13101 1 18 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.885 0.710 25062 13102 1 18 . 1 1 51 51 GLY H H 51 8.070 8.070 7.679 0.391 25062 13103 1 18 . 1 1 52 52 ARG N N 52 119.414 119.414 119.565 -0.151 25062 13104 1 18 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.903 -0.001 25062 13105 1 18 . 1 1 52 52 ARG C C 52 173.093 173.093 174.180 -1.087 25062 13106 1 18 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.106 0.871 25062 13107 1 18 . 1 1 52 52 ARG CB C 52 32.410 32.410 30.815 1.595 25062 13108 1 18 . 1 1 52 52 ARG H H 52 7.950 7.950 8.052 -0.102 25062 13109 1 18 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.109 -0.035 25062 13110 1 18 . 1 1 53 53 PRO C C 53 174.179 174.179 175.802 -1.623 25062 13111 1 18 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.209 -0.232 25062 13112 1 18 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.087 -0.553 25062 13113 1 18 . 1 1 54 54 ILE N N 54 115.161 115.161 120.060 -4.899 25062 13114 1 18 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.955 0.003 25062 13115 1 18 . 1 1 54 54 ILE C C 54 172.097 172.097 173.902 -1.805 25062 13116 1 18 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.189 -0.416 25062 13117 1 18 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.104 0.631 25062 13118 1 18 . 1 1 54 54 ILE H H 54 7.718 7.718 8.416 -0.698 25062 13119 1 18 . 1 1 55 55 VAL N N 55 126.019 126.019 130.281 -4.262 25062 13120 1 18 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.438 0.442 25062 13121 1 18 . 1 1 55 55 VAL C C 55 173.844 173.844 174.934 -1.090 25062 13122 1 18 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.019 -0.726 25062 13123 1 18 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.767 1.501 25062 13124 1 18 . 1 1 55 55 VAL H H 55 8.352 8.352 8.878 -0.526 25062 13125 1 18 . 1 1 56 56 VAL N N 56 127.584 127.584 128.171 -0.587 25062 13126 1 18 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.373 0.068 25062 13127 1 18 . 1 1 56 56 VAL C C 56 173.968 173.968 175.403 -1.435 25062 13128 1 18 . 1 1 56 56 VAL CA C 56 60.543 60.543 60.737 -0.194 25062 13129 1 18 . 1 1 56 56 VAL CB C 56 34.380 34.380 31.178 3.202 25062 13130 1 18 . 1 1 56 56 VAL H H 56 9.291 9.291 8.627 0.664 25062 13131 1 18 . 1 1 57 57 PHE N N 57 125.432 125.432 128.758 -3.326 25062 13132 1 18 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.912 0.018 25062 13133 1 18 . 1 1 57 57 PHE C C 57 174.987 174.987 175.119 -0.132 25062 13134 1 18 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.599 0.609 25062 13135 1 18 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.368 1.518 25062 13136 1 18 . 1 1 57 57 PHE H H 57 8.585 8.585 8.828 -0.243 25062 13137 1 18 . 1 1 58 58 VAL N N 58 123.763 123.763 122.925 0.838 25062 13138 1 18 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.250 -0.048 25062 13139 1 18 . 1 1 58 58 VAL C C 58 174.791 174.791 175.082 -0.291 25062 13140 1 18 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.456 0.425 25062 13141 1 18 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.289 0.423 25062 13142 1 18 . 1 1 58 58 VAL H H 58 9.008 9.008 8.257 0.751 25062 13143 1 18 . 1 1 59 59 ARG N N 59 127.924 127.924 124.828 3.096 25062 13144 1 18 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.739 -0.157 25062 13145 1 18 . 1 1 59 59 ARG C C 59 177.755 177.755 178.003 -0.248 25062 13146 1 18 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.885 0.653 25062 13147 1 18 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.391 -0.878 25062 13148 1 18 . 1 1 59 59 ARG H H 59 8.820 8.820 8.738 0.082 25062 13149 1 18 . 1 1 60 60 GLY N N 60 110.441 110.441 115.077 -4.636 25062 13150 1 18 . 1 1 60 60 GLY C C 60 174.818 174.818 174.826 -0.008 25062 13151 1 18 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.264 0.724 25062 13152 1 18 . 1 1 60 60 GLY H H 60 8.200 8.200 8.644 -0.444 25062 13153 1 18 . 1 1 61 61 GLY N N 61 109.411 109.411 107.054 2.357 25062 13154 1 18 . 1 1 61 61 GLY C C 61 174.550 174.550 174.701 -0.151 25062 13155 1 18 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.071 0.360 25062 13156 1 18 . 1 1 61 61 GLY H H 61 7.995 7.995 8.279 -0.284 25062 13157 1 18 . 1 1 62 62 ASP N N 62 122.920 122.920 120.988 1.932 25062 13158 1 18 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.954 0.067 25062 13159 1 18 . 1 1 62 62 ASP C C 62 176.247 176.247 175.130 1.117 25062 13160 1 18 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.677 -1.150 25062 13161 1 18 . 1 1 62 62 ASP CB C 62 39.815 39.815 42.652 -2.837 25062 13162 1 18 . 1 1 62 62 ASP H H 62 8.090 8.090 7.726 0.364 25062 13163 1 18 . 1 1 63 63 ASP N N 63 121.058 121.058 125.849 -4.791 25062 13164 1 18 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.456 -0.190 25062 13165 1 18 . 1 1 63 63 ASP C C 63 178.418 178.418 177.212 1.206 25062 13166 1 18 . 1 1 63 63 ASP CA C 63 57.341 57.341 56.363 0.978 25062 13167 1 18 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.700 -0.128 25062 13168 1 18 . 1 1 63 63 ASP H H 63 8.023 8.023 8.796 -0.773 25062 13169 1 18 . 1 1 64 64 GLU N N 64 119.564 119.564 119.879 -0.315 25062 13170 1 18 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.053 -0.002 25062 13171 1 18 . 1 1 64 64 GLU C C 64 178.321 178.321 178.878 -0.557 25062 13172 1 18 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.006 0.376 25062 13173 1 18 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.681 -0.637 25062 13174 1 18 . 1 1 64 64 GLU H H 64 8.760 8.760 7.814 0.946 25062 13175 1 18 . 1 1 65 65 ARG N N 65 119.839 119.839 118.281 1.558 25062 13176 1 18 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.307 -0.111 25062 13177 1 18 . 1 1 65 65 ARG C C 65 178.305 178.305 178.541 -0.236 25062 13178 1 18 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.141 0.911 25062 13179 1 18 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.540 1.097 25062 13180 1 18 . 1 1 65 65 ARG H H 65 7.643 7.643 8.038 -0.395 25062 13181 1 18 . 1 1 66 66 ALA N N 66 118.984 118.984 121.332 -2.348 25062 13182 1 18 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.065 -0.199 25062 13183 1 18 . 1 1 66 66 ALA C C 66 178.638 178.638 179.725 -1.087 25062 13184 1 18 . 1 1 66 66 ALA CA C 66 55.466 55.466 54.905 0.561 25062 13185 1 18 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.077 0.284 25062 13186 1 18 . 1 1 66 66 ALA H H 66 7.782 7.782 8.137 -0.355 25062 13187 1 18 . 1 1 67 67 LYS N N 67 117.711 117.711 118.916 -1.205 25062 13188 1 18 . 1 1 67 67 LYS HA H 67 4.019 4.019 3.983 0.036 25062 13189 1 18 . 1 1 67 67 LYS C C 67 178.363 178.363 178.933 -0.570 25062 13190 1 18 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.719 -0.146 25062 13191 1 18 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.222 0.002 25062 13192 1 18 . 1 1 67 67 LYS H H 67 8.010 8.010 7.462 0.548 25062 13193 1 18 . 1 1 68 68 ASP N N 68 119.581 119.581 120.178 -0.597 25062 13194 1 18 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.446 -0.032 25062 13195 1 18 . 1 1 68 68 ASP C C 68 179.235 179.235 178.871 0.364 25062 13196 1 18 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.433 0.061 25062 13197 1 18 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.589 0.798 25062 13198 1 18 . 1 1 68 68 ASP H H 68 7.999 7.999 7.757 0.242 25062 13199 1 18 . 1 1 69 69 ILE N N 69 119.307 119.307 120.177 -0.870 25062 13200 1 18 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.688 -0.095 25062 13201 1 18 . 1 1 69 69 ILE C C 69 176.927 176.927 177.875 -0.948 25062 13202 1 18 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.014 0.212 25062 13203 1 18 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.728 0.135 25062 13204 1 18 . 1 1 69 69 ILE H H 69 8.283 8.283 7.758 0.525 25062 13205 1 18 . 1 1 70 70 ALA N N 70 121.395 121.395 122.645 -1.250 25062 13206 1 18 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.734 -0.002 25062 13207 1 18 . 1 1 70 70 ALA C C 70 178.770 178.770 179.132 -0.362 25062 13208 1 18 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.122 0.419 25062 13209 1 18 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.524 0.620 25062 13210 1 18 . 1 1 70 70 ALA H H 70 8.200 8.200 7.935 0.265 25062 13211 1 18 . 1 1 71 71 GLU N N 71 116.210 116.210 120.057 -3.847 25062 13212 1 18 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.149 -0.003 25062 13213 1 18 . 1 1 71 71 GLU C C 71 179.215 179.215 178.682 0.533 25062 13214 1 18 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.346 0.087 25062 13215 1 18 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.799 -0.215 25062 13216 1 18 . 1 1 71 71 GLU H H 71 8.402 8.402 8.070 0.332 25062 13217 1 18 . 1 1 72 72 TYR N N 72 121.372 121.372 120.792 0.580 25062 13218 1 18 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.122 0.080 25062 13219 1 18 . 1 1 72 72 TYR C C 72 176.699 176.699 177.337 -0.638 25062 13220 1 18 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.655 -0.349 25062 13221 1 18 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.380 -0.141 25062 13222 1 18 . 1 1 72 72 TYR H H 72 8.031 8.031 7.636 0.395 25062 13223 1 18 . 1 1 73 73 ALA N N 73 119.994 119.994 119.813 0.181 25062 13224 1 18 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.829 -0.218 25062 13225 1 18 . 1 1 73 73 ALA C C 73 178.786 178.786 179.461 -0.675 25062 13226 1 18 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.132 0.039 25062 13227 1 18 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.001 0.500 25062 13228 1 18 . 1 1 73 73 ALA H H 73 8.588 8.588 8.050 0.537 25062 13229 1 18 . 1 1 74 74 GLN N N 74 116.775 116.775 118.785 -2.010 25062 13230 1 18 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.082 0.225 25062 13231 1 18 . 1 1 74 74 GLN C C 74 180.672 180.672 178.004 2.668 25062 13232 1 18 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.681 0.495 25062 13233 1 18 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.941 0.256 25062 13234 1 18 . 1 1 74 74 GLN H H 74 8.382 8.382 8.165 0.217 25062 13235 1 18 . 1 1 75 75 LYS N N 75 122.969 122.969 118.792 4.177 25062 13236 1 18 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.071 -0.015 25062 13237 1 18 . 1 1 75 75 LYS C C 75 178.547 178.547 178.648 -0.101 25062 13238 1 18 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.559 0.668 25062 13239 1 18 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.332 -0.569 25062 13240 1 18 . 1 1 75 75 LYS H H 75 8.248 8.248 7.633 0.615 25062 13241 1 18 . 1 1 76 76 GLU N N 76 117.058 117.058 115.622 1.436 25062 13242 1 18 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.221 -0.126 25062 13243 1 18 . 1 1 76 76 GLU C C 76 176.070 176.070 176.791 -0.721 25062 13244 1 18 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.716 0.142 25062 13245 1 18 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.443 0.355 25062 13246 1 18 . 1 1 76 76 GLU H H 76 7.522 7.522 7.531 -0.009 25062 13247 1 18 . 1 1 77 77 GLY N N 77 106.537 106.537 107.287 -0.750 25062 13248 1 18 . 1 1 77 77 GLY C C 77 174.570 174.570 174.703 -0.133 25062 13249 1 18 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.445 0.034 25062 13250 1 18 . 1 1 77 77 GLY H H 77 7.797 7.797 7.609 0.188 25062 13251 1 18 . 1 1 78 78 LEU N N 78 121.257 121.257 119.459 1.798 25062 13252 1 18 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.507 -0.101 25062 13253 1 18 . 1 1 78 78 LEU C C 78 176.139 176.139 176.923 -0.784 25062 13254 1 18 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.647 0.657 25062 13255 1 18 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.126 -1.014 25062 13256 1 18 . 1 1 78 78 LEU H H 78 8.008 8.008 7.722 0.286 25062 13257 1 18 . 1 1 79 79 ARG N N 79 121.135 121.135 122.624 -1.489 25062 13258 1 18 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.259 0.145 25062 13259 1 18 . 1 1 79 79 ARG C C 79 174.598 174.598 175.246 -0.648 25062 13260 1 18 . 1 1 79 79 ARG CA C 79 55.884 55.884 56.270 -0.387 25062 13261 1 18 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.653 1.714 25062 13262 1 18 . 1 1 79 79 ARG H H 79 8.062 8.062 8.083 -0.021 25062 13263 1 18 . 1 1 80 80 VAL N N 80 123.517 123.517 126.705 -3.188 25062 13264 1 18 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.799 -0.034 25062 13265 1 18 . 1 1 80 80 VAL C C 80 175.373 175.373 175.062 0.311 25062 13266 1 18 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.149 0.488 25062 13267 1 18 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.170 1.833 25062 13268 1 18 . 1 1 80 80 VAL H H 80 8.377 8.377 8.525 -0.148 25062 13269 1 18 . 1 1 81 81 ILE N N 81 129.083 129.083 130.048 -0.965 25062 13270 1 18 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.760 0.123 25062 13271 1 18 . 1 1 81 81 ILE C C 81 173.899 173.899 175.102 -1.203 25062 13272 1 18 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.655 0.071 25062 13273 1 18 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.503 1.579 25062 13274 1 18 . 1 1 81 81 ILE H H 81 8.812 8.812 8.736 0.076 25062 13275 1 18 . 1 1 82 82 VAL N N 82 126.531 126.531 129.227 -2.696 25062 13276 1 18 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.537 0.450 25062 13277 1 18 . 1 1 82 82 VAL C C 82 174.164 174.164 175.160 -0.996 25062 13278 1 18 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.881 -1.557 25062 13279 1 18 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.368 2.049 25062 13280 1 18 . 1 1 82 82 VAL H H 82 9.085 9.085 8.290 0.795 25062 13281 1 18 . 1 1 83 83 ILE N N 83 127.143 127.143 129.340 -2.197 25062 13282 1 18 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.901 0.003 25062 13283 1 18 . 1 1 83 83 ILE C C 83 174.044 174.044 175.633 -1.589 25062 13284 1 18 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.317 -0.301 25062 13285 1 18 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.706 1.110 25062 13286 1 18 . 1 1 83 83 ILE H H 83 9.391 9.391 8.561 0.830 25062 13287 1 18 . 1 1 84 84 ILE N N 84 126.750 126.750 129.124 -2.374 25062 13288 1 18 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.593 -0.147 25062 13289 1 18 . 1 1 84 84 ILE C C 84 174.788 174.788 176.012 -1.224 25062 13290 1 18 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.762 0.290 25062 13291 1 18 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.373 1.659 25062 13292 1 18 . 1 1 84 84 ILE H H 84 8.714 8.714 8.739 -0.025 25062 13293 1 18 . 1 1 85 85 VAL N N 85 127.160 127.160 130.715 -3.555 25062 13294 1 18 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.675 0.304 25062 13295 1 18 . 1 1 85 85 VAL C C 85 176.539 176.539 174.982 1.557 25062 13296 1 18 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.687 -1.625 25062 13297 1 18 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.592 0.282 25062 13298 1 18 . 1 1 85 85 VAL H H 85 8.464 8.464 8.943 -0.479 25062 13299 1 18 . 1 1 86 86 SER N N 86 121.723 121.723 121.741 -0.018 25062 13300 1 18 . 1 1 86 86 SER HA H 86 4.490 4.490 4.931 -0.441 25062 13301 1 18 . 1 1 86 86 SER C C 86 172.447 172.447 174.709 -2.262 25062 13302 1 18 . 1 1 86 86 SER CA C 86 58.131 58.131 57.524 0.607 25062 13303 1 18 . 1 1 86 86 SER CB C 86 64.121 64.121 66.459 -2.338 25062 13304 1 18 . 1 1 86 86 SER H H 86 8.725 8.725 8.855 -0.130 25062 13305 1 18 . 1 1 87 87 GLN N N 87 121.657 121.657 122.797 -1.140 25062 13306 1 18 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.016 0.553 25062 13307 1 18 . 1 1 87 87 GLN C C 87 175.732 175.732 175.340 0.392 25062 13308 1 18 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.885 -1.459 25062 13309 1 18 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.784 0.335 25062 13310 1 18 . 1 1 87 87 GLN H H 87 8.516 8.516 8.660 -0.144 25062 13311 1 18 . 1 1 88 88 ASP N N 88 121.146 121.146 121.124 0.022 25062 13312 1 18 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.584 0.116 25062 13313 1 18 . 1 1 88 88 ASP C C 88 175.752 175.752 176.465 -0.713 25062 13314 1 18 . 1 1 88 88 ASP CA C 88 53.079 53.079 55.010 -1.931 25062 13315 1 18 . 1 1 88 88 ASP CB C 88 41.203 41.203 40.171 1.032 25062 13316 1 18 . 1 1 88 88 ASP H H 88 8.459 8.459 8.113 0.346 25062 13317 1 18 . 1 1 89 89 GLU N N 89 125.736 125.736 124.426 1.310 25062 13318 1 18 . 1 1 89 89 GLU HA H 89 3.934 3.934 4.008 -0.074 25062 13319 1 18 . 1 1 89 89 GLU C C 89 178.820 178.820 178.287 0.533 25062 13320 1 18 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.255 0.289 25062 13321 1 18 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.894 -0.267 25062 13322 1 18 . 1 1 89 89 GLU H H 89 8.840 8.840 8.643 0.198 25062 13323 1 18 . 1 1 90 90 GLU N N 90 119.813 119.813 119.550 0.263 25062 13324 1 18 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.057 0.179 25062 13325 1 18 . 1 1 90 90 GLU C C 90 178.385 178.385 178.803 -0.418 25062 13326 1 18 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.236 -0.429 25062 13327 1 18 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.219 -0.042 25062 13328 1 18 . 1 1 90 90 GLU H H 90 8.300 8.300 8.744 -0.444 25062 13329 1 18 . 1 1 91 91 ALA N N 91 123.211 123.211 122.467 0.744 25062 13330 1 18 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.221 -0.090 25062 13331 1 18 . 1 1 91 91 ALA C C 91 181.895 181.895 179.708 2.187 25062 13332 1 18 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.731 -0.031 25062 13333 1 18 . 1 1 91 91 ALA CB C 91 17.881 17.881 17.958 -0.077 25062 13334 1 18 . 1 1 91 91 ALA H H 91 7.670 7.670 8.273 -0.603 25062 13335 1 18 . 1 1 92 92 LEU N N 92 118.903 118.903 118.991 -0.088 25062 13336 1 18 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.878 0.127 25062 13337 1 18 . 1 1 92 92 LEU C C 92 177.951 177.951 179.233 -1.282 25062 13338 1 18 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.029 -0.079 25062 13339 1 18 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.518 0.664 25062 13340 1 18 . 1 1 92 92 LEU H H 92 8.190 8.190 7.913 0.277 25062 13341 1 18 . 1 1 93 93 ARG N N 93 118.916 118.916 118.711 0.205 25062 13342 1 18 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.008 0.090 25062 13343 1 18 . 1 1 93 93 ARG C C 93 178.775 178.775 178.751 0.024 25062 13344 1 18 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.968 -0.626 25062 13345 1 18 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.066 0.079 25062 13346 1 18 . 1 1 93 93 ARG H H 93 7.868 7.868 7.742 0.126 25062 13347 1 18 . 1 1 94 94 LYS N N 94 118.989 118.989 119.207 -0.218 25062 13348 1 18 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.094 -0.037 25062 13349 1 18 . 1 1 94 94 LYS C C 94 179.270 179.270 179.197 0.073 25062 13350 1 18 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.706 -0.471 25062 13351 1 18 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.191 0.243 25062 13352 1 18 . 1 1 94 94 LYS H H 94 8.236 8.236 8.278 -0.042 25062 13353 1 18 . 1 1 95 95 GLY N N 95 107.084 107.084 106.671 0.413 25062 13354 1 18 . 1 1 95 95 GLY C C 95 175.285 175.285 175.974 -0.689 25062 13355 1 18 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.824 0.221 25062 13356 1 18 . 1 1 95 95 GLY H H 95 8.296 8.296 7.920 0.376 25062 13357 1 18 . 1 1 96 96 TYR N N 96 121.591 121.591 123.670 -2.079 25062 13358 1 18 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.126 -0.080 25062 13359 1 18 . 1 1 96 96 TYR C C 96 176.428 176.428 177.649 -1.221 25062 13360 1 18 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.515 -0.071 25062 13361 1 18 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.617 -0.027 25062 13362 1 18 . 1 1 96 96 TYR H H 96 8.372 8.372 8.020 0.352 25062 13363 1 18 . 1 1 97 97 GLU N N 97 117.883 117.883 117.566 0.317 25062 13364 1 18 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.787 0.044 25062 13365 1 18 . 1 1 97 97 GLU C C 97 178.775 178.775 178.801 -0.026 25062 13366 1 18 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.124 0.125 25062 13367 1 18 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.494 0.048 25062 13368 1 18 . 1 1 97 97 GLU H H 97 8.205 8.205 8.222 -0.017 25062 13369 1 18 . 1 1 98 98 ASP N N 98 117.644 117.644 120.213 -2.569 25062 13370 1 18 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.371 -0.026 25062 13371 1 18 . 1 1 98 98 ASP C C 98 177.978 177.978 178.359 -0.381 25062 13372 1 18 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.113 0.000 25062 13373 1 18 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.009 0.982 25062 13374 1 18 . 1 1 98 98 ASP H H 98 8.139 8.139 7.985 0.154 25062 13375 1 18 . 1 1 99 99 LYS N N 99 116.691 116.691 118.517 -1.826 25062 13376 1 18 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.210 -0.186 25062 13377 1 18 . 1 1 99 99 LYS C C 99 178.061 178.061 178.937 -0.876 25062 13378 1 18 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.593 -0.587 25062 13379 1 18 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.468 -0.092 25062 13380 1 18 . 1 1 99 99 LYS H H 99 7.886 7.886 7.644 0.242 25062 13381 1 18 . 1 1 100 100 LYS N N 100 120.645 120.645 120.109 0.536 25062 13382 1 18 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.198 -0.124 25062 13383 1 18 . 1 1 100 100 LYS C C 100 180.486 180.486 178.507 1.979 25062 13384 1 18 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.761 -0.578 25062 13385 1 18 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.979 -0.613 25062 13386 1 18 . 1 1 100 100 LYS H H 100 8.395 8.395 7.694 0.701 25062 13387 1 18 . 1 1 101 101 LYS N N 101 119.297 119.297 117.938 1.359 25062 13388 1 18 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.012 0.070 25062 13389 1 18 . 1 1 101 101 LYS C C 101 177.669 177.669 178.273 -0.604 25062 13390 1 18 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.423 0.043 25062 13391 1 18 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.347 -0.102 25062 13392 1 18 . 1 1 101 101 LYS H H 101 7.713 7.713 7.481 0.232 25062 13393 1 18 . 1 1 102 102 LYS N N 102 116.847 116.847 115.721 1.126 25062 13394 1 18 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.095 -0.002 25062 13395 1 18 . 1 1 102 102 LYS C C 102 176.357 176.357 176.623 -0.266 25062 13396 1 18 . 1 1 102 102 LYS CA C 102 55.789 55.789 54.893 0.896 25062 13397 1 18 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.157 -0.154 25062 13398 1 18 . 1 1 102 102 LYS H H 102 7.124 7.124 7.355 -0.231 25062 13399 1 18 . 1 1 103 103 GLY N N 103 105.781 105.781 106.078 -0.297 25062 13400 1 18 . 1 1 103 103 GLY C C 103 174.378 174.378 174.644 -0.266 25062 13401 1 18 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.792 0.262 25062 13402 1 18 . 1 1 103 103 GLY H H 103 7.771 7.771 7.302 0.469 25062 13403 1 18 . 1 1 104 104 TYR N N 104 119.257 119.257 120.023 -0.766 25062 13404 1 18 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.671 0.267 25062 13405 1 18 . 1 1 104 104 TYR C C 104 175.223 175.223 175.612 -0.389 25062 13406 1 18 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.969 -1.518 25062 13407 1 18 . 1 1 104 104 TYR CB C 104 37.745 37.745 37.800 -0.055 25062 13408 1 18 . 1 1 104 104 TYR H H 104 6.914 6.914 7.458 -0.544 25062 13409 1 18 . 1 1 105 105 ASP N N 105 122.574 122.574 126.449 -3.875 25062 13410 1 18 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.571 0.210 25062 13411 1 18 . 1 1 105 105 ASP C C 105 174.818 174.818 175.274 -0.456 25062 13412 1 18 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.200 -0.985 25062 13413 1 18 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.884 0.917 25062 13414 1 18 . 1 1 105 105 ASP H H 105 8.223 8.223 8.611 -0.388 25062 13415 1 18 . 1 1 106 106 VAL N N 106 121.990 121.990 123.403 -1.413 25062 13416 1 18 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.722 0.535 25062 13417 1 18 . 1 1 106 106 VAL C C 106 173.835 173.835 175.522 -1.687 25062 13418 1 18 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.275 -1.233 25062 13419 1 18 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.171 1.208 25062 13420 1 18 . 1 1 106 106 VAL H H 106 7.876 7.876 7.901 -0.025 25062 13421 1 18 . 1 1 107 107 TYR N N 107 125.444 125.444 127.358 -1.914 25062 13422 1 18 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.896 0.111 25062 13423 1 18 . 1 1 107 107 TYR C C 107 174.765 174.765 175.009 -0.244 25062 13424 1 18 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.724 -0.659 25062 13425 1 18 . 1 1 107 107 TYR CB C 107 41.889 41.889 42.167 -0.278 25062 13426 1 18 . 1 1 107 107 TYR H H 107 9.400 9.400 9.202 0.198 25062 13427 1 18 . 1 1 108 108 THR N N 108 111.100 111.100 114.781 -3.681 25062 13428 1 18 . 1 1 108 108 THR HA H 108 5.212 5.212 5.207 0.005 25062 13429 1 18 . 1 1 108 108 THR C C 108 174.350 174.350 173.759 0.591 25062 13430 1 18 . 1 1 108 108 THR CA C 108 59.514 59.514 59.988 -0.474 25062 13431 1 18 . 1 1 108 108 THR CB C 108 70.911 70.911 70.696 0.215 25062 13432 1 18 . 1 1 108 108 THR H H 108 8.801 8.801 8.369 0.432 25062 13433 1 18 . 1 1 109 109 SER N N 109 114.650 114.650 117.394 -2.744 25062 13434 1 18 . 1 1 109 109 SER HA H 109 4.901 4.901 4.995 -0.094 25062 13435 1 18 . 1 1 109 109 SER C C 109 172.399 172.399 173.505 -1.106 25062 13436 1 18 . 1 1 109 109 SER CA C 109 57.974 57.974 57.479 0.495 25062 13437 1 18 . 1 1 109 109 SER CB C 109 67.764 67.764 66.664 1.100 25062 13438 1 18 . 1 1 109 109 SER H H 109 8.565 8.565 8.440 0.125 25062 13439 1 18 . 1 1 110 110 ARG N N 110 119.807 119.807 122.354 -2.547 25062 13440 1 18 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.710 0.299 25062 13441 1 18 . 1 1 110 110 ARG C C 110 175.995 175.995 175.789 0.206 25062 13442 1 18 . 1 1 110 110 ARG CA C 110 56.009 56.009 56.952 -0.943 25062 13443 1 18 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.286 0.531 25062 13444 1 18 . 1 1 110 110 ARG H H 110 8.948 8.948 8.657 0.291 25062 13445 1 18 . 1 1 111 111 ASN N N 111 110.690 110.690 112.582 -1.892 25062 13446 1 18 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.854 -0.221 25062 13447 1 18 . 1 1 111 111 ASN C C 111 174.460 174.460 175.181 -0.721 25062 13448 1 18 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.041 -0.671 25062 13449 1 18 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.624 -0.507 25062 13450 1 18 . 1 1 111 111 ASN H H 111 7.426 7.426 7.519 -0.093 25062 13451 1 18 . 1 1 112 112 GLU N N 112 119.451 119.451 119.147 0.304 25062 13452 1 18 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.041 -0.233 25062 13453 1 18 . 1 1 112 112 GLU C C 112 176.445 176.445 177.751 -1.306 25062 13454 1 18 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.813 0.380 25062 13455 1 18 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.499 1.107 25062 13456 1 18 . 1 1 112 112 GLU H H 112 9.529 9.529 8.804 0.725 25062 13457 1 18 . 1 1 113 113 ASP N N 113 120.739 120.739 119.760 0.979 25062 13458 1 18 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.362 0.007 25062 13459 1 18 . 1 1 113 113 ASP C C 113 179.043 179.043 178.589 0.454 25062 13460 1 18 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.977 0.128 25062 13461 1 18 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.593 0.353 25062 13462 1 18 . 1 1 113 113 ASP H H 113 8.256 8.256 8.397 -0.141 25062 13463 1 18 . 1 1 114 114 GLU N N 114 119.817 119.817 120.534 -0.717 25062 13464 1 18 . 1 1 114 114 GLU HA H 114 4.050 4.050 3.871 0.179 25062 13465 1 18 . 1 1 114 114 GLU C C 114 178.770 178.770 178.746 0.024 25062 13466 1 18 . 1 1 114 114 GLU CA C 114 59.240 59.240 59.286 -0.046 25062 13467 1 18 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.515 1.141 25062 13468 1 18 . 1 1 114 114 GLU H H 114 8.577 8.577 7.796 0.781 25062 13469 1 18 . 1 1 115 115 ALA N N 115 121.470 121.470 121.867 -0.397 25062 13470 1 18 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.043 0.012 25062 13471 1 18 . 1 1 115 115 ALA C C 115 178.962 178.962 179.121 -0.159 25062 13472 1 18 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.148 0.065 25062 13473 1 18 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.438 1.419 25062 13474 1 18 . 1 1 115 115 ALA H H 115 8.358 8.358 7.973 0.385 25062 13475 1 18 . 1 1 116 116 LYS N N 116 117.285 117.285 118.411 -1.126 25062 13476 1 18 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.986 -0.328 25062 13477 1 18 . 1 1 116 116 LYS C C 116 178.583 178.583 178.835 -0.252 25062 13478 1 18 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.451 1.466 25062 13479 1 18 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.313 0.498 25062 13480 1 18 . 1 1 116 116 LYS H H 116 8.350 8.350 8.091 0.259 25062 13481 1 18 . 1 1 117 117 LYS N N 117 118.433 118.433 119.414 -0.981 25062 13482 1 18 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.974 0.012 25062 13483 1 18 . 1 1 117 117 LYS C C 117 179.380 179.380 179.162 0.218 25062 13484 1 18 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.638 -0.033 25062 13485 1 18 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.380 0.002 25062 13486 1 18 . 1 1 117 117 LYS H H 117 7.345 7.345 7.636 -0.291 25062 13487 1 18 . 1 1 118 118 LYS N N 118 118.166 118.166 118.625 -0.459 25062 13488 1 18 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.907 0.032 25062 13489 1 18 . 1 1 118 118 LYS C C 118 178.088 178.088 179.002 -0.914 25062 13490 1 18 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.813 -0.257 25062 13491 1 18 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.640 -0.500 25062 13492 1 18 . 1 1 118 118 LYS H H 118 8.130 8.130 7.616 0.514 25062 13493 1 18 . 1 1 119 119 LEU N N 119 120.654 120.654 121.274 -0.620 25062 13494 1 18 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.962 -0.178 25062 13495 1 18 . 1 1 119 119 LEU C C 119 177.567 177.567 178.185 -0.618 25062 13496 1 18 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.742 0.172 25062 13497 1 18 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.751 0.423 25062 13498 1 18 . 1 1 119 119 LEU H H 119 8.592 8.592 7.898 0.694 25062 13499 1 18 . 1 1 120 120 LYS N N 120 118.314 118.314 118.824 -0.510 25062 13500 1 18 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.711 -0.166 25062 13501 1 18 . 1 1 120 120 LYS C C 120 178.624 178.624 178.812 -0.188 25062 13502 1 18 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.897 0.393 25062 13503 1 18 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.104 -0.340 25062 13504 1 18 . 1 1 120 120 LYS H H 120 7.753 7.753 7.642 0.111 25062 13505 1 18 . 1 1 121 121 GLU N N 121 118.446 118.446 119.252 -0.806 25062 13506 1 18 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.199 -0.193 25062 13507 1 18 . 1 1 121 121 GLU C C 121 178.744 178.744 178.340 0.404 25062 13508 1 18 . 1 1 121 121 GLU CA C 121 59.539 59.539 58.968 0.571 25062 13509 1 18 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.352 0.011 25062 13510 1 18 . 1 1 121 121 GLU H H 121 7.777 7.777 7.886 -0.109 25062 13511 1 18 . 1 1 122 122 ALA N N 122 121.333 121.333 120.605 0.728 25062 13512 1 18 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.097 -0.141 25062 13513 1 18 . 1 1 122 122 ALA C C 122 179.973 179.973 179.364 0.609 25062 13514 1 18 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.487 0.473 25062 13515 1 18 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.705 -0.277 25062 13516 1 18 . 1 1 122 122 ALA H H 122 8.229 8.229 7.285 0.944 25062 13517 1 18 . 1 1 123 123 LEU N N 123 118.790 118.790 118.486 0.304 25062 13518 1 18 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.952 -0.172 25062 13519 1 18 . 1 1 123 123 LEU C C 123 179.703 179.703 179.150 0.553 25062 13520 1 18 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.088 0.801 25062 13521 1 18 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.650 -0.798 25062 13522 1 18 . 1 1 123 123 LEU H H 123 8.177 8.177 7.668 0.509 25062 13523 1 18 . 1 1 124 124 GLU N N 124 120.881 120.881 118.296 2.585 25062 13524 1 18 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.378 -0.234 25062 13525 1 18 . 1 1 124 124 GLU C C 124 179.732 179.732 178.563 1.169 25062 13526 1 18 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.656 0.783 25062 13527 1 18 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.452 0.068 25062 13528 1 18 . 1 1 124 124 GLU H H 124 8.393 8.393 8.076 0.317 25062 13529 1 18 . 1 1 125 125 LYS N N 125 119.526 119.526 117.829 1.697 25062 13530 1 18 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.095 0.164 25062 13531 1 18 . 1 1 125 125 LYS C C 125 177.862 177.862 178.482 -0.620 25062 13532 1 18 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.896 -0.951 25062 13533 1 18 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.410 -0.053 25062 13534 1 18 . 1 1 125 125 LYS H H 125 8.290 8.290 7.509 0.781 25062 13535 1 18 . 1 1 126 126 SER N N 126 114.103 114.103 110.639 3.464 25062 13536 1 18 . 1 1 126 126 SER HA H 126 4.385 4.385 4.431 -0.046 25062 13537 1 18 . 1 1 126 126 SER C C 126 174.460 174.460 175.255 -0.795 25062 13538 1 18 . 1 1 126 126 SER CA C 126 59.611 59.611 59.306 0.305 25062 13539 1 18 . 1 1 126 126 SER CB C 126 63.479 63.479 64.069 -0.590 25062 13540 1 18 . 1 1 126 126 SER H H 126 7.702 7.702 7.644 0.058 25062 13541 1 18 . 1 1 127 127 GLY N N 127 108.584 108.584 110.104 -1.520 25062 13542 1 18 . 1 1 127 127 GLY C C 127 174.103 174.103 173.651 0.452 25062 13543 1 18 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.861 0.576 25062 13544 1 18 . 1 1 127 127 GLY H H 127 7.933 7.933 7.425 0.508 25062 13545 1 18 . 1 1 128 128 SER N N 128 115.990 115.990 116.536 -0.546 25062 13546 1 18 . 1 1 128 128 SER HA H 128 4.590 4.590 4.097 0.493 25062 13547 1 18 . 1 1 128 128 SER C C 128 174.412 174.412 173.649 0.763 25062 13548 1 18 . 1 1 128 128 SER CA C 128 57.986 57.986 59.282 -1.296 25062 13549 1 18 . 1 1 128 128 SER CB C 128 63.336 63.336 62.568 0.768 25062 13550 1 18 . 1 1 128 128 SER H H 128 8.091 8.091 8.451 -0.360 25062 13551 1 18 . 1 1 129 129 LEU N N 129 125.492 125.492 118.947 6.545 25062 13552 1 18 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.400 0.041 25062 13553 1 18 . 1 1 129 129 LEU C C 129 177.084 177.084 176.589 0.495 25062 13554 1 18 . 1 1 129 129 LEU CA C 129 54.876 54.876 55.029 -0.153 25062 13555 1 18 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.778 -0.469 25062 13556 1 18 . 1 1 129 129 LEU H H 129 8.262 8.262 7.748 0.514 25062 13557 1 18 . 1 1 130 130 GLU N N 130 121.006 121.006 120.358 0.648 25062 13558 1 18 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.334 -0.359 25062 13559 1 18 . 1 1 130 130 GLU C C 130 176.435 176.435 175.084 1.351 25062 13560 1 18 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.079 1.733 25062 13561 1 18 . 1 1 130 130 GLU CB C 130 30.279 30.279 29.982 0.297 25062 13562 1 18 . 1 1 130 130 GLU H H 130 8.398 8.398 8.396 0.002 25062 13563 1 18 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.485 0.106 25062 13564 1 18 . 1 1 131 131 HIS C C 131 174.179 174.179 174.944 -0.765 25062 13565 1 18 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.351 -0.202 25062 13566 1 18 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.392 1.439 25062 13567 1 18 . 1 1 132 132 HIS N N 132 125.794 125.794 124.853 0.941 25062 13568 1 18 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.497 -0.081 25062 13569 1 18 . 1 1 132 132 HIS C C 132 179.523 179.523 175.531 3.992 25062 13570 1 18 . 1 1 132 132 HIS CA C 132 57.516 57.516 55.783 1.733 25062 13571 1 18 . 1 1 132 132 HIS CB C 132 31.008 31.008 31.057 -0.049 25062 13572 1 18 . 1 1 132 132 HIS H H 132 7.935 7.935 8.123 -0.188 25062 13573 1 19 . 1 1 2 2 GLY N N 2 109.342 109.342 107.261 2.081 25062 13574 1 19 . 1 1 2 2 GLY C C 2 172.736 172.736 171.808 0.928 25062 13575 1 19 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.161 0.495 25062 13576 1 19 . 1 1 2 2 GLY H H 2 8.632 8.632 8.358 0.274 25062 13577 1 19 . 1 1 3 3 VAL N N 3 123.457 123.457 119.536 3.921 25062 13578 1 19 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.620 0.361 25062 13579 1 19 . 1 1 3 3 VAL C C 3 173.780 173.780 175.043 -1.263 25062 13580 1 19 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.736 -1.386 25062 13581 1 19 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.654 0.459 25062 13582 1 19 . 1 1 3 3 VAL H H 3 7.516 7.516 8.113 -0.597 25062 13583 1 19 . 1 1 4 4 VAL N N 4 125.375 125.375 127.751 -2.376 25062 13584 1 19 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.479 0.052 25062 13585 1 19 . 1 1 4 4 VAL C C 4 173.185 173.185 175.269 -2.084 25062 13586 1 19 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.732 -1.231 25062 13587 1 19 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.277 1.518 25062 13588 1 19 . 1 1 4 4 VAL H H 4 8.810 8.810 8.573 0.237 25062 13589 1 19 . 1 1 5 5 ILE N N 5 127.180 127.180 129.031 -1.851 25062 13590 1 19 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.742 0.127 25062 13591 1 19 . 1 1 5 5 ILE C C 5 174.303 174.303 175.189 -0.886 25062 13592 1 19 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.079 -0.669 25062 13593 1 19 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.192 0.451 25062 13594 1 19 . 1 1 5 5 ILE H H 5 8.800 8.800 9.008 -0.208 25062 13595 1 19 . 1 1 6 6 LEU N N 6 129.025 129.025 129.442 -0.417 25062 13596 1 19 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.889 0.124 25062 13597 1 19 . 1 1 6 6 LEU C C 6 174.847 174.847 176.377 -1.530 25062 13598 1 19 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.696 -0.228 25062 13599 1 19 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.905 2.388 25062 13600 1 19 . 1 1 6 6 LEU H H 6 9.424 9.424 8.945 0.479 25062 13601 1 19 . 1 1 7 7 VAL N N 7 123.364 123.364 126.244 -2.880 25062 13602 1 19 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.470 0.187 25062 13603 1 19 . 1 1 7 7 VAL C C 7 174.210 174.210 175.375 -1.165 25062 13604 1 19 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.623 -0.796 25062 13605 1 19 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.104 0.149 25062 13606 1 19 . 1 1 7 7 VAL H H 7 8.653 8.653 8.621 0.032 25062 13607 1 19 . 1 1 8 8 LEU N N 8 130.560 130.560 130.729 -0.169 25062 13608 1 19 . 1 1 8 8 LEU HA H 8 5.296 5.296 5.091 0.205 25062 13609 1 19 . 1 1 8 8 LEU C C 8 175.744 175.744 176.727 -0.983 25062 13610 1 19 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.050 -0.163 25062 13611 1 19 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.501 0.995 25062 13612 1 19 . 1 1 8 8 LEU H H 8 9.069 9.069 8.748 0.321 25062 13613 1 19 . 1 1 9 9 THR N N 9 112.810 112.810 113.822 -1.012 25062 13614 1 19 . 1 1 9 9 THR HA H 9 4.959 4.959 5.216 -0.257 25062 13615 1 19 . 1 1 9 9 THR C C 9 174.213 174.213 175.958 -1.745 25062 13616 1 19 . 1 1 9 9 THR CA C 9 59.948 59.948 59.415 0.533 25062 13617 1 19 . 1 1 9 9 THR CB C 9 70.756 70.756 71.397 -0.641 25062 13618 1 19 . 1 1 9 9 THR H H 9 8.028 8.028 8.189 -0.161 25062 13619 1 19 . 1 1 10 10 GLY N N 10 107.740 107.740 110.380 -2.640 25062 13620 1 19 . 1 1 10 10 GLY C C 10 173.064 173.064 173.450 -0.386 25062 13621 1 19 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.363 0.067 25062 13622 1 19 . 1 1 10 10 GLY H H 10 7.827 7.827 8.912 -1.085 25062 13623 1 19 . 1 1 11 11 ASP N N 11 119.119 119.119 118.293 0.826 25062 13624 1 19 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.677 0.176 25062 13625 1 19 . 1 1 11 11 ASP C C 11 176.118 176.118 175.315 0.803 25062 13626 1 19 . 1 1 11 11 ASP CA C 11 52.972 52.972 52.941 0.031 25062 13627 1 19 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.332 -0.091 25062 13628 1 19 . 1 1 11 11 ASP H H 11 7.642 7.642 7.438 0.204 25062 13629 1 19 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.021 0.079 25062 13630 1 19 . 1 1 12 12 GLU C C 12 178.508 178.508 177.735 0.773 25062 13631 1 19 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.059 -0.595 25062 13632 1 19 . 1 1 12 12 GLU CB C 12 29.333 29.333 30.042 -0.709 25062 13633 1 19 . 1 1 13 13 ARG N N 13 121.589 121.589 119.005 2.584 25062 13634 1 19 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.101 0.036 25062 13635 1 19 . 1 1 13 13 ARG C C 13 179.625 179.625 178.606 1.019 25062 13636 1 19 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.504 0.914 25062 13637 1 19 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.541 -0.186 25062 13638 1 19 . 1 1 13 13 ARG H H 13 8.593 8.593 7.740 0.853 25062 13639 1 19 . 1 1 14 14 ILE N N 14 119.911 119.911 119.380 0.531 25062 13640 1 19 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.694 -0.044 25062 13641 1 19 . 1 1 14 14 ILE C C 14 177.727 177.727 177.317 0.410 25062 13642 1 19 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.819 0.339 25062 13643 1 19 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.594 -0.256 25062 13644 1 19 . 1 1 14 14 ILE H H 14 7.823 7.823 8.021 -0.198 25062 13645 1 19 . 1 1 15 15 ALA N N 15 121.015 121.015 121.533 -0.518 25062 13646 1 19 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.991 -0.272 25062 13647 1 19 . 1 1 15 15 ALA C C 15 178.994 178.994 179.634 -0.640 25062 13648 1 19 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.324 0.566 25062 13649 1 19 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.852 -0.001 25062 13650 1 19 . 1 1 15 15 ALA H H 15 7.610 7.610 7.613 -0.003 25062 13651 1 19 . 1 1 16 16 GLU N N 16 117.655 117.655 117.876 -0.221 25062 13652 1 19 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.835 0.299 25062 13653 1 19 . 1 1 16 16 GLU C C 16 178.517 178.517 179.232 -0.715 25062 13654 1 19 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.096 -0.817 25062 13655 1 19 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.080 0.142 25062 13656 1 19 . 1 1 16 16 GLU H H 16 7.808 7.808 7.649 0.159 25062 13657 1 19 . 1 1 17 17 GLU N N 17 119.648 119.648 118.993 0.655 25062 13658 1 19 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.124 -0.070 25062 13659 1 19 . 1 1 17 17 GLU C C 17 180.213 180.213 179.152 1.061 25062 13660 1 19 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.438 0.796 25062 13661 1 19 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.282 -0.130 25062 13662 1 19 . 1 1 17 17 GLU H H 17 8.002 8.002 7.592 0.410 25062 13663 1 19 . 1 1 18 18 LEU N N 18 119.118 119.118 119.434 -0.316 25062 13664 1 19 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.100 -0.000 25062 13665 1 19 . 1 1 18 18 LEU C C 18 178.233 178.233 178.756 -0.523 25062 13666 1 19 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.843 -0.036 25062 13667 1 19 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.773 -0.902 25062 13668 1 19 . 1 1 18 18 LEU H H 18 8.554 8.554 7.925 0.629 25062 13669 1 19 . 1 1 19 19 ARG N N 19 122.158 122.158 119.744 2.414 25062 13670 1 19 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.144 -0.329 25062 13671 1 19 . 1 1 19 19 ARG C C 19 178.686 178.686 178.550 0.136 25062 13672 1 19 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.904 1.012 25062 13673 1 19 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.981 -0.642 25062 13674 1 19 . 1 1 19 19 ARG H H 19 8.274 8.274 7.989 0.285 25062 13675 1 19 . 1 1 20 20 LYS N N 20 118.130 118.130 116.387 1.743 25062 13676 1 19 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.096 -0.161 25062 13677 1 19 . 1 1 20 20 LYS C C 20 179.078 179.078 178.842 0.236 25062 13678 1 19 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.426 0.327 25062 13679 1 19 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.827 0.613 25062 13680 1 19 . 1 1 20 20 LYS H H 20 7.977 7.977 7.749 0.228 25062 13681 1 19 . 1 1 21 21 GLU N N 21 120.451 120.451 119.895 0.556 25062 13682 1 19 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.198 -0.143 25062 13683 1 19 . 1 1 21 21 GLU C C 21 178.995 178.995 178.918 0.077 25062 13684 1 19 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.093 0.010 25062 13685 1 19 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.035 0.128 25062 13686 1 19 . 1 1 21 21 GLU H H 21 7.813 7.813 7.688 0.125 25062 13687 1 19 . 1 1 22 22 VAL N N 22 119.654 119.654 120.241 -0.587 25062 13688 1 19 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.672 -0.232 25062 13689 1 19 . 1 1 22 22 VAL C C 22 176.428 176.428 178.065 -1.637 25062 13690 1 19 . 1 1 22 22 VAL CA C 22 67.121 67.121 67.089 0.032 25062 13691 1 19 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.393 0.059 25062 13692 1 19 . 1 1 22 22 VAL H H 22 8.146 8.146 8.087 0.059 25062 13693 1 19 . 1 1 23 23 GLN N N 23 116.884 116.884 118.245 -1.361 25062 13694 1 19 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.126 -0.174 25062 13695 1 19 . 1 1 23 23 GLN C C 23 177.429 177.429 178.489 -1.060 25062 13696 1 19 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.208 0.559 25062 13697 1 19 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.172 0.379 25062 13698 1 19 . 1 1 23 23 GLN H H 23 7.588 7.588 7.768 -0.180 25062 13699 1 19 . 1 1 24 24 LYS N N 24 116.529 116.529 117.369 -0.840 25062 13700 1 19 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.243 -0.247 25062 13701 1 19 . 1 1 24 24 LYS C C 24 177.508 177.508 178.067 -0.559 25062 13702 1 19 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.543 0.871 25062 13703 1 19 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.487 0.430 25062 13704 1 19 . 1 1 24 24 LYS H H 24 7.544 7.544 7.499 0.045 25062 13705 1 19 . 1 1 25 25 HIS N N 25 119.657 119.657 119.539 0.118 25062 13706 1 19 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.448 -0.195 25062 13707 1 19 . 1 1 25 25 HIS C C 25 175.915 175.915 174.767 1.148 25062 13708 1 19 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.985 0.457 25062 13709 1 19 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.393 0.477 25062 13710 1 19 . 1 1 25 25 HIS H H 25 7.809 7.809 7.904 -0.095 25062 13711 1 19 . 1 1 26 26 ASP N N 26 113.221 113.221 115.769 -2.548 25062 13712 1 19 . 1 1 26 26 ASP HA H 26 4.735 4.735 5.001 -0.266 25062 13713 1 19 . 1 1 26 26 ASP C C 26 173.856 173.856 174.432 -0.576 25062 13714 1 19 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.355 -0.685 25062 13715 1 19 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.356 -0.990 25062 13716 1 19 . 1 1 26 26 ASP H H 26 8.358 8.358 8.116 0.242 25062 13717 1 19 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.725 -0.159 25062 13718 1 19 . 1 1 27 27 PRO C C 27 176.845 176.845 176.382 0.463 25062 13719 1 19 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.671 0.206 25062 13720 1 19 . 1 1 27 27 PRO CB C 27 32.285 32.285 31.974 0.311 25062 13721 1 19 . 1 1 28 28 ASN N N 28 115.529 115.529 116.409 -0.880 25062 13722 1 19 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.819 -0.147 25062 13723 1 19 . 1 1 28 28 ASN C C 28 175.632 175.632 174.814 0.818 25062 13724 1 19 . 1 1 28 28 ASN CA C 28 53.815 53.815 52.855 0.960 25062 13725 1 19 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.698 -0.604 25062 13726 1 19 . 1 1 28 28 ASN H H 28 8.570 8.570 7.949 0.621 25062 13727 1 19 . 1 1 29 29 VAL N N 29 121.867 121.867 121.906 -0.039 25062 13728 1 19 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.116 -0.232 25062 13729 1 19 . 1 1 29 29 VAL C C 29 175.085 175.085 175.926 -0.841 25062 13730 1 19 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.096 1.079 25062 13731 1 19 . 1 1 29 29 VAL CB C 29 31.998 31.998 30.962 1.036 25062 13732 1 19 . 1 1 29 29 VAL H H 29 7.465 7.465 7.326 0.139 25062 13733 1 19 . 1 1 30 30 LYS N N 30 130.242 130.242 128.958 1.284 25062 13734 1 19 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.404 0.030 25062 13735 1 19 . 1 1 30 30 LYS C C 30 175.093 175.093 175.820 -0.727 25062 13736 1 19 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.373 0.000 25062 13737 1 19 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.296 -0.869 25062 13738 1 19 . 1 1 30 30 LYS H H 30 9.036 9.036 8.032 1.004 25062 13739 1 19 . 1 1 31 31 THR N N 31 113.173 113.173 114.993 -1.820 25062 13740 1 19 . 1 1 31 31 THR HA H 31 5.688 5.688 5.326 0.362 25062 13741 1 19 . 1 1 31 31 THR C C 31 174.708 174.708 174.035 0.673 25062 13742 1 19 . 1 1 31 31 THR CA C 31 58.537 58.537 60.056 -1.519 25062 13743 1 19 . 1 1 31 31 THR CB C 31 71.419 71.419 69.846 1.573 25062 13744 1 19 . 1 1 31 31 THR H H 31 8.185 8.185 8.362 -0.177 25062 13745 1 19 . 1 1 32 32 VAL N N 32 122.168 122.168 126.054 -3.886 25062 13746 1 19 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.652 0.243 25062 13747 1 19 . 1 1 32 32 VAL C C 32 173.388 173.388 174.263 -0.875 25062 13748 1 19 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.760 -0.027 25062 13749 1 19 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.081 -0.177 25062 13750 1 19 . 1 1 32 32 VAL H H 32 8.968 8.968 8.706 0.262 25062 13751 1 19 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.064 -0.090 25062 13752 1 19 . 1 1 33 33 PRO C C 33 177.848 177.848 177.913 -0.065 25062 13753 1 19 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.213 0.129 25062 13754 1 19 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.659 0.362 25062 13755 1 19 . 1 1 34 34 THR N N 34 114.266 114.266 108.885 5.381 25062 13756 1 19 . 1 1 34 34 THR HA H 34 4.118 4.118 4.031 0.087 25062 13757 1 19 . 1 1 34 34 THR C C 34 176.879 176.879 175.755 1.124 25062 13758 1 19 . 1 1 34 34 THR CA C 34 64.607 64.607 65.043 -0.436 25062 13759 1 19 . 1 1 34 34 THR CB C 34 68.311 68.311 68.931 -0.620 25062 13760 1 19 . 1 1 34 34 THR H H 34 9.033 9.033 8.261 0.772 25062 13761 1 19 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.165 0.080 25062 13762 1 19 . 1 1 35 35 LYS C C 35 176.639 176.639 177.683 -1.044 25062 13763 1 19 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.248 -0.114 25062 13764 1 19 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.988 0.316 25062 13765 1 19 . 1 1 36 36 ASP N N 36 120.993 120.993 121.203 -0.210 25062 13766 1 19 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.785 0.230 25062 13767 1 19 . 1 1 36 36 ASP C C 36 176.202 176.202 175.303 0.899 25062 13768 1 19 . 1 1 36 36 ASP CA C 36 53.436 53.436 54.160 -0.724 25062 13769 1 19 . 1 1 36 36 ASP CB C 36 41.110 41.110 39.602 1.508 25062 13770 1 19 . 1 1 36 36 ASP H H 36 7.726 7.726 7.991 -0.265 25062 13771 1 19 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.969 0.019 25062 13772 1 19 . 1 1 37 37 LYS C C 37 177.948 177.948 177.992 -0.044 25062 13773 1 19 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.080 0.228 25062 13774 1 19 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.554 0.294 25062 13775 1 19 . 1 1 38 38 GLU N N 38 119.141 119.141 118.095 1.046 25062 13776 1 19 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.137 0.113 25062 13777 1 19 . 1 1 38 38 GLU C C 38 178.054 178.054 178.747 -0.693 25062 13778 1 19 . 1 1 38 38 GLU CA C 38 58.502 58.502 59.322 -0.820 25062 13779 1 19 . 1 1 38 38 GLU CB C 38 29.207 29.207 28.844 0.363 25062 13780 1 19 . 1 1 38 38 GLU H H 38 8.883 8.883 8.626 0.257 25062 13781 1 19 . 1 1 39 39 LYS N N 39 118.440 118.440 119.716 -1.276 25062 13782 1 19 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.068 0.439 25062 13783 1 19 . 1 1 39 39 LYS C C 39 177.126 177.126 178.456 -1.330 25062 13784 1 19 . 1 1 39 39 LYS CA C 39 56.307 56.307 58.221 -1.914 25062 13785 1 19 . 1 1 39 39 LYS CB C 39 32.424 32.424 31.681 0.743 25062 13786 1 19 . 1 1 39 39 LYS H H 39 8.064 8.064 8.100 -0.036 25062 13787 1 19 . 1 1 40 40 VAL N N 40 118.130 118.130 119.724 -1.594 25062 13788 1 19 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.540 -0.145 25062 13789 1 19 . 1 1 40 40 VAL C C 40 176.934 176.934 177.375 -0.441 25062 13790 1 19 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.983 0.638 25062 13791 1 19 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.430 0.225 25062 13792 1 19 . 1 1 40 40 VAL H H 40 7.308 7.308 7.968 -0.660 25062 13793 1 19 . 1 1 41 41 LYS N N 41 118.555 118.555 119.137 -0.582 25062 13794 1 19 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.733 -0.090 25062 13795 1 19 . 1 1 41 41 LYS C C 41 178.363 178.363 178.640 -0.277 25062 13796 1 19 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.638 1.649 25062 13797 1 19 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.899 -0.445 25062 13798 1 19 . 1 1 41 41 LYS H H 41 8.150 8.150 7.563 0.587 25062 13799 1 19 . 1 1 42 42 GLU N N 42 119.454 119.454 118.405 1.049 25062 13800 1 19 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.114 -0.016 25062 13801 1 19 . 1 1 42 42 GLU C C 42 179.552 179.552 179.215 0.337 25062 13802 1 19 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.105 0.151 25062 13803 1 19 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.257 0.337 25062 13804 1 19 . 1 1 42 42 GLU H H 42 8.067 8.067 7.700 0.367 25062 13805 1 19 . 1 1 43 43 GLU N N 43 118.427 118.427 118.980 -0.553 25062 13806 1 19 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.174 0.121 25062 13807 1 19 . 1 1 43 43 GLU C C 43 180.076 180.076 179.435 0.641 25062 13808 1 19 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.083 0.372 25062 13809 1 19 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.053 -0.408 25062 13810 1 19 . 1 1 43 43 GLU H H 43 8.189 8.189 7.899 0.290 25062 13811 1 19 . 1 1 44 44 ILE N N 44 122.905 122.905 120.411 2.494 25062 13812 1 19 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.647 -0.012 25062 13813 1 19 . 1 1 44 44 ILE C C 44 176.828 176.828 177.743 -0.915 25062 13814 1 19 . 1 1 44 44 ILE CA C 44 66.397 66.397 66.039 0.358 25062 13815 1 19 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.840 -0.301 25062 13816 1 19 . 1 1 44 44 ILE H H 44 8.734 8.734 8.169 0.565 25062 13817 1 19 . 1 1 45 45 GLU N N 45 120.098 120.098 120.289 -0.191 25062 13818 1 19 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.025 0.114 25062 13819 1 19 . 1 1 45 45 GLU C C 45 178.930 178.930 178.846 0.084 25062 13820 1 19 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.334 0.155 25062 13821 1 19 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.460 -0.312 25062 13822 1 19 . 1 1 45 45 GLU H H 45 8.099 8.099 7.950 0.149 25062 13823 1 19 . 1 1 46 46 LYS N N 46 118.360 118.360 118.824 -0.464 25062 13824 1 19 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.096 -0.087 25062 13825 1 19 . 1 1 46 46 LYS C C 46 178.775 178.775 178.804 -0.029 25062 13826 1 19 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.991 0.911 25062 13827 1 19 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.285 0.417 25062 13828 1 19 . 1 1 46 46 LYS H H 46 7.854 7.854 8.046 -0.192 25062 13829 1 19 . 1 1 47 47 ALA N N 47 122.551 122.551 122.142 0.409 25062 13830 1 19 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.081 0.047 25062 13831 1 19 . 1 1 47 47 ALA C C 47 180.095 180.095 179.443 0.652 25062 13832 1 19 . 1 1 47 47 ALA CA C 47 55.403 55.403 54.867 0.536 25062 13833 1 19 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.340 -0.635 25062 13834 1 19 . 1 1 47 47 ALA H H 47 8.135 8.135 7.889 0.246 25062 13835 1 19 . 1 1 48 48 ARG N N 48 118.945 118.945 118.563 0.382 25062 13836 1 19 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.207 -0.150 25062 13837 1 19 . 1 1 48 48 ARG C C 48 179.960 179.960 178.961 0.999 25062 13838 1 19 . 1 1 48 48 ARG CA C 48 59.287 59.287 58.957 0.330 25062 13839 1 19 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.229 -0.777 25062 13840 1 19 . 1 1 48 48 ARG H H 48 8.655 8.655 7.672 0.983 25062 13841 1 19 . 1 1 49 49 LYS N N 49 119.557 119.557 119.738 -0.181 25062 13842 1 19 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.078 -0.021 25062 13843 1 19 . 1 1 49 49 LYS C C 49 178.288 178.288 178.833 -0.545 25062 13844 1 19 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.685 0.285 25062 13845 1 19 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.422 0.231 25062 13846 1 19 . 1 1 49 49 LYS H H 49 8.058 8.058 7.647 0.411 25062 13847 1 19 . 1 1 50 50 GLN N N 50 115.215 115.215 115.496 -0.281 25062 13848 1 19 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.381 -0.004 25062 13849 1 19 . 1 1 50 50 GLN C C 50 176.439 176.439 175.591 0.848 25062 13850 1 19 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.549 0.424 25062 13851 1 19 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.555 0.253 25062 13852 1 19 . 1 1 50 50 GLN H H 50 7.938 7.938 7.753 0.185 25062 13853 1 19 . 1 1 51 51 GLY N N 51 109.413 109.413 107.086 2.327 25062 13854 1 19 . 1 1 51 51 GLY C C 51 174.570 174.570 174.566 0.004 25062 13855 1 19 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.369 1.226 25062 13856 1 19 . 1 1 51 51 GLY H H 51 8.070 8.070 7.450 0.620 25062 13857 1 19 . 1 1 52 52 ARG N N 52 119.414 119.414 119.489 -0.075 25062 13858 1 19 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.912 -0.010 25062 13859 1 19 . 1 1 52 52 ARG C C 52 173.093 173.093 173.930 -0.837 25062 13860 1 19 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.357 0.620 25062 13861 1 19 . 1 1 52 52 ARG CB C 52 32.410 32.410 30.865 1.545 25062 13862 1 19 . 1 1 52 52 ARG H H 52 7.950 7.950 8.112 -0.162 25062 13863 1 19 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.955 0.119 25062 13864 1 19 . 1 1 53 53 PRO C C 53 174.179 174.179 175.686 -1.507 25062 13865 1 19 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.291 -0.314 25062 13866 1 19 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.407 -0.873 25062 13867 1 19 . 1 1 54 54 ILE N N 54 115.161 115.161 118.419 -3.258 25062 13868 1 19 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.853 0.105 25062 13869 1 19 . 1 1 54 54 ILE C C 54 172.097 172.097 173.538 -1.441 25062 13870 1 19 . 1 1 54 54 ILE CA C 54 58.773 58.773 60.038 -1.265 25062 13871 1 19 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.517 0.218 25062 13872 1 19 . 1 1 54 54 ILE H H 54 7.718 7.718 8.276 -0.558 25062 13873 1 19 . 1 1 55 55 VAL N N 55 126.019 126.019 129.659 -3.640 25062 13874 1 19 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.445 0.435 25062 13875 1 19 . 1 1 55 55 VAL C C 55 173.844 173.844 174.992 -1.148 25062 13876 1 19 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.030 -0.737 25062 13877 1 19 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.661 1.607 25062 13878 1 19 . 1 1 55 55 VAL H H 55 8.352 8.352 8.873 -0.521 25062 13879 1 19 . 1 1 56 56 VAL N N 56 127.584 127.584 128.009 -0.425 25062 13880 1 19 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.409 0.032 25062 13881 1 19 . 1 1 56 56 VAL C C 56 173.968 173.968 175.330 -1.362 25062 13882 1 19 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.211 -0.668 25062 13883 1 19 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.254 2.127 25062 13884 1 19 . 1 1 56 56 VAL H H 56 9.291 9.291 8.558 0.733 25062 13885 1 19 . 1 1 57 57 PHE N N 57 125.432 125.432 128.507 -3.075 25062 13886 1 19 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.875 0.055 25062 13887 1 19 . 1 1 57 57 PHE C C 57 174.987 174.987 175.607 -0.620 25062 13888 1 19 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.993 0.215 25062 13889 1 19 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.770 1.116 25062 13890 1 19 . 1 1 57 57 PHE H H 57 8.585 8.585 8.491 0.094 25062 13891 1 19 . 1 1 58 58 VAL N N 58 123.763 123.763 123.897 -0.134 25062 13892 1 19 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.282 -0.080 25062 13893 1 19 . 1 1 58 58 VAL C C 58 174.791 174.791 175.842 -1.051 25062 13894 1 19 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.680 0.201 25062 13895 1 19 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.809 -0.097 25062 13896 1 19 . 1 1 58 58 VAL H H 58 9.008 9.008 8.562 0.446 25062 13897 1 19 . 1 1 59 59 ARG N N 59 127.924 127.924 123.195 4.729 25062 13898 1 19 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.655 -0.073 25062 13899 1 19 . 1 1 59 59 ARG C C 59 177.755 177.755 177.933 -0.178 25062 13900 1 19 . 1 1 59 59 ARG CA C 59 56.538 56.538 54.995 1.543 25062 13901 1 19 . 1 1 59 59 ARG CB C 59 30.513 30.513 30.520 -0.007 25062 13902 1 19 . 1 1 59 59 ARG H H 59 8.820 8.820 8.654 0.166 25062 13903 1 19 . 1 1 60 60 GLY N N 60 110.441 110.441 110.541 -0.100 25062 13904 1 19 . 1 1 60 60 GLY C C 60 174.818 174.818 175.539 -0.721 25062 13905 1 19 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.968 0.020 25062 13906 1 19 . 1 1 60 60 GLY H H 60 8.200 8.200 8.287 -0.087 25062 13907 1 19 . 1 1 61 61 GLY N N 61 109.411 109.411 107.888 1.523 25062 13908 1 19 . 1 1 61 61 GLY C C 61 174.550 174.550 174.931 -0.381 25062 13909 1 19 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.548 -0.117 25062 13910 1 19 . 1 1 61 61 GLY H H 61 7.995 7.995 8.657 -0.662 25062 13911 1 19 . 1 1 62 62 ASP N N 62 122.920 122.920 121.192 1.728 25062 13912 1 19 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.825 0.196 25062 13913 1 19 . 1 1 62 62 ASP C C 62 176.247 176.247 176.526 -0.279 25062 13914 1 19 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.174 -1.647 25062 13915 1 19 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.387 -0.572 25062 13916 1 19 . 1 1 62 62 ASP H H 62 8.090 8.090 7.378 0.712 25062 13917 1 19 . 1 1 63 63 ASP N N 63 121.058 121.058 119.689 1.369 25062 13918 1 19 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.320 -0.054 25062 13919 1 19 . 1 1 63 63 ASP C C 63 178.418 178.418 177.457 0.961 25062 13920 1 19 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.325 0.016 25062 13921 1 19 . 1 1 63 63 ASP CB C 63 41.572 41.572 40.773 0.799 25062 13922 1 19 . 1 1 63 63 ASP H H 63 8.023 8.023 7.859 0.164 25062 13923 1 19 . 1 1 64 64 GLU N N 64 119.564 119.564 120.192 -0.628 25062 13924 1 19 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.056 -0.005 25062 13925 1 19 . 1 1 64 64 GLU C C 64 178.321 178.321 178.540 -0.219 25062 13926 1 19 . 1 1 64 64 GLU CA C 64 59.382 59.382 58.992 0.390 25062 13927 1 19 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.528 -0.484 25062 13928 1 19 . 1 1 64 64 GLU H H 64 8.760 8.760 8.449 0.311 25062 13929 1 19 . 1 1 65 65 ARG N N 65 119.839 119.839 118.837 1.002 25062 13930 1 19 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.139 0.057 25062 13931 1 19 . 1 1 65 65 ARG C C 65 178.305 178.305 178.251 0.054 25062 13932 1 19 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.021 0.031 25062 13933 1 19 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.141 0.496 25062 13934 1 19 . 1 1 65 65 ARG H H 65 7.643 7.643 7.403 0.240 25062 13935 1 19 . 1 1 66 66 ALA N N 66 118.984 118.984 121.958 -2.974 25062 13936 1 19 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.104 -0.238 25062 13937 1 19 . 1 1 66 66 ALA C C 66 178.638 178.638 179.086 -0.448 25062 13938 1 19 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.090 0.376 25062 13939 1 19 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.253 0.108 25062 13940 1 19 . 1 1 66 66 ALA H H 66 7.782 7.782 8.236 -0.454 25062 13941 1 19 . 1 1 67 67 LYS N N 67 117.711 117.711 116.986 0.725 25062 13942 1 19 . 1 1 67 67 LYS HA H 67 4.019 4.019 3.852 0.167 25062 13943 1 19 . 1 1 67 67 LYS C C 67 178.363 178.363 178.564 -0.201 25062 13944 1 19 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.354 0.219 25062 13945 1 19 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.023 0.201 25062 13946 1 19 . 1 1 67 67 LYS H H 67 8.010 8.010 7.877 0.133 25062 13947 1 19 . 1 1 68 68 ASP N N 68 119.581 119.581 120.792 -1.211 25062 13948 1 19 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.530 -0.116 25062 13949 1 19 . 1 1 68 68 ASP C C 68 179.235 179.235 178.387 0.848 25062 13950 1 19 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.482 0.012 25062 13951 1 19 . 1 1 68 68 ASP CB C 68 41.387 41.387 41.258 0.129 25062 13952 1 19 . 1 1 68 68 ASP H H 68 7.999 7.999 7.493 0.506 25062 13953 1 19 . 1 1 69 69 ILE N N 69 119.307 119.307 120.557 -1.250 25062 13954 1 19 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.718 -0.125 25062 13955 1 19 . 1 1 69 69 ILE C C 69 176.927 176.927 177.647 -0.720 25062 13956 1 19 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.889 0.337 25062 13957 1 19 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.626 0.237 25062 13958 1 19 . 1 1 69 69 ILE H H 69 8.283 8.283 8.072 0.211 25062 13959 1 19 . 1 1 70 70 ALA N N 70 121.395 121.395 122.232 -0.837 25062 13960 1 19 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.730 0.002 25062 13961 1 19 . 1 1 70 70 ALA C C 70 178.770 178.770 179.144 -0.374 25062 13962 1 19 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.041 0.500 25062 13963 1 19 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.244 0.900 25062 13964 1 19 . 1 1 70 70 ALA H H 70 8.200 8.200 7.950 0.250 25062 13965 1 19 . 1 1 71 71 GLU N N 71 116.210 116.210 119.428 -3.218 25062 13966 1 19 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.196 -0.050 25062 13967 1 19 . 1 1 71 71 GLU C C 71 179.215 179.215 178.509 0.706 25062 13968 1 19 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.012 0.421 25062 13969 1 19 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.377 0.207 25062 13970 1 19 . 1 1 71 71 GLU H H 71 8.402 8.402 7.696 0.706 25062 13971 1 19 . 1 1 72 72 TYR N N 72 121.372 121.372 120.807 0.565 25062 13972 1 19 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.090 0.112 25062 13973 1 19 . 1 1 72 72 TYR C C 72 176.699 176.699 177.438 -0.739 25062 13974 1 19 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.738 -0.432 25062 13975 1 19 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.338 -0.099 25062 13976 1 19 . 1 1 72 72 TYR H H 72 8.031 8.031 8.006 0.025 25062 13977 1 19 . 1 1 73 73 ALA N N 73 119.994 119.994 119.891 0.103 25062 13978 1 19 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.736 -0.125 25062 13979 1 19 . 1 1 73 73 ALA C C 73 178.786 178.786 178.934 -0.148 25062 13980 1 19 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.196 -0.025 25062 13981 1 19 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.093 0.408 25062 13982 1 19 . 1 1 73 73 ALA H H 73 8.588 8.588 8.353 0.235 25062 13983 1 19 . 1 1 74 74 GLN N N 74 116.775 116.775 118.220 -1.445 25062 13984 1 19 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.356 -0.049 25062 13985 1 19 . 1 1 74 74 GLN C C 74 180.672 180.672 178.278 2.394 25062 13986 1 19 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.393 0.783 25062 13987 1 19 . 1 1 74 74 GLN CB C 74 29.197 29.197 29.002 0.195 25062 13988 1 19 . 1 1 74 74 GLN H H 74 8.382 8.382 7.933 0.449 25062 13989 1 19 . 1 1 75 75 LYS N N 75 122.969 122.969 118.070 4.899 25062 13990 1 19 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.039 0.017 25062 13991 1 19 . 1 1 75 75 LYS C C 75 178.547 178.547 178.324 0.223 25062 13992 1 19 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.472 0.755 25062 13993 1 19 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.291 -0.528 25062 13994 1 19 . 1 1 75 75 LYS H H 75 8.248 8.248 7.769 0.479 25062 13995 1 19 . 1 1 76 76 GLU N N 76 117.058 117.058 115.374 1.684 25062 13996 1 19 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.121 -0.026 25062 13997 1 19 . 1 1 76 76 GLU C C 76 176.070 176.070 176.633 -0.563 25062 13998 1 19 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.448 -0.590 25062 13999 1 19 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.900 -0.102 25062 14000 1 19 . 1 1 76 76 GLU H H 76 7.522 7.522 7.647 -0.125 25062 14001 1 19 . 1 1 77 77 GLY N N 77 106.537 106.537 106.629 -0.092 25062 14002 1 19 . 1 1 77 77 GLY C C 77 174.570 174.570 173.927 0.643 25062 14003 1 19 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.325 0.154 25062 14004 1 19 . 1 1 77 77 GLY H H 77 7.797 7.797 7.485 0.312 25062 14005 1 19 . 1 1 78 78 LEU N N 78 121.257 121.257 118.879 2.378 25062 14006 1 19 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.621 -0.215 25062 14007 1 19 . 1 1 78 78 LEU C C 78 176.139 176.139 176.147 -0.008 25062 14008 1 19 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.247 1.057 25062 14009 1 19 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.759 -1.647 25062 14010 1 19 . 1 1 78 78 LEU H H 78 8.008 8.008 7.594 0.414 25062 14011 1 19 . 1 1 79 79 ARG N N 79 121.135 121.135 120.837 0.298 25062 14012 1 19 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.471 -0.067 25062 14013 1 19 . 1 1 79 79 ARG C C 79 174.598 174.598 175.500 -0.902 25062 14014 1 19 . 1 1 79 79 ARG CA C 79 55.884 55.884 54.882 1.002 25062 14015 1 19 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.446 0.921 25062 14016 1 19 . 1 1 79 79 ARG H H 79 8.062 8.062 8.057 0.005 25062 14017 1 19 . 1 1 80 80 VAL N N 80 123.517 123.517 125.711 -2.194 25062 14018 1 19 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.496 0.269 25062 14019 1 19 . 1 1 80 80 VAL C C 80 175.373 175.373 174.822 0.551 25062 14020 1 19 . 1 1 80 80 VAL CA C 80 61.637 61.637 62.072 -0.435 25062 14021 1 19 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.662 1.341 25062 14022 1 19 . 1 1 80 80 VAL H H 80 8.377 8.377 8.725 -0.348 25062 14023 1 19 . 1 1 81 81 ILE N N 81 129.083 129.083 129.843 -0.760 25062 14024 1 19 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.991 -0.108 25062 14025 1 19 . 1 1 81 81 ILE C C 81 173.899 173.899 174.861 -0.962 25062 14026 1 19 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.158 0.568 25062 14027 1 19 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.113 0.969 25062 14028 1 19 . 1 1 81 81 ILE H H 81 8.812 8.812 8.756 0.056 25062 14029 1 19 . 1 1 82 82 VAL N N 82 126.531 126.531 129.145 -2.614 25062 14030 1 19 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.579 0.408 25062 14031 1 19 . 1 1 82 82 VAL C C 82 174.164 174.164 175.047 -0.883 25062 14032 1 19 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.674 -1.350 25062 14033 1 19 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.608 1.809 25062 14034 1 19 . 1 1 82 82 VAL H H 82 9.085 9.085 8.414 0.671 25062 14035 1 19 . 1 1 83 83 ILE N N 83 127.143 127.143 129.203 -2.060 25062 14036 1 19 . 1 1 83 83 ILE HA H 83 4.904 4.904 5.063 -0.159 25062 14037 1 19 . 1 1 83 83 ILE C C 83 174.044 174.044 175.683 -1.639 25062 14038 1 19 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.120 -0.103 25062 14039 1 19 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.100 0.716 25062 14040 1 19 . 1 1 83 83 ILE H H 83 9.391 9.391 8.641 0.750 25062 14041 1 19 . 1 1 84 84 ILE N N 84 126.750 126.750 128.665 -1.915 25062 14042 1 19 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.709 -0.263 25062 14043 1 19 . 1 1 84 84 ILE C C 84 174.788 174.788 175.832 -1.044 25062 14044 1 19 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.792 0.260 25062 14045 1 19 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.828 1.204 25062 14046 1 19 . 1 1 84 84 ILE H H 84 8.714 8.714 8.654 0.060 25062 14047 1 19 . 1 1 85 85 VAL N N 85 127.160 127.160 129.866 -2.706 25062 14048 1 19 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.817 0.162 25062 14049 1 19 . 1 1 85 85 VAL C C 85 176.539 176.539 174.860 1.679 25062 14050 1 19 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.278 -1.216 25062 14051 1 19 . 1 1 85 85 VAL CB C 85 31.874 31.874 32.289 -0.415 25062 14052 1 19 . 1 1 85 85 VAL H H 85 8.464 8.464 9.016 -0.552 25062 14053 1 19 . 1 1 86 86 SER N N 86 121.723 121.723 121.949 -0.226 25062 14054 1 19 . 1 1 86 86 SER HA H 86 4.490 4.490 4.955 -0.465 25062 14055 1 19 . 1 1 86 86 SER C C 86 172.447 172.447 174.011 -1.564 25062 14056 1 19 . 1 1 86 86 SER CA C 86 58.131 58.131 57.158 0.973 25062 14057 1 19 . 1 1 86 86 SER CB C 86 64.121 64.121 67.269 -3.148 25062 14058 1 19 . 1 1 86 86 SER H H 86 8.725 8.725 8.731 -0.006 25062 14059 1 19 . 1 1 87 87 GLN N N 87 121.657 121.657 121.703 -0.046 25062 14060 1 19 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.066 0.503 25062 14061 1 19 . 1 1 87 87 GLN C C 87 175.732 175.732 175.255 0.477 25062 14062 1 19 . 1 1 87 87 GLN CA C 87 56.426 56.426 58.042 -1.616 25062 14063 1 19 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.844 0.275 25062 14064 1 19 . 1 1 87 87 GLN H H 87 8.516 8.516 8.726 -0.210 25062 14065 1 19 . 1 1 88 88 ASP N N 88 121.146 121.146 119.042 2.104 25062 14066 1 19 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.624 0.076 25062 14067 1 19 . 1 1 88 88 ASP C C 88 175.752 175.752 176.703 -0.951 25062 14068 1 19 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.746 -0.667 25062 14069 1 19 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.820 -0.617 25062 14070 1 19 . 1 1 88 88 ASP H H 88 8.459 8.459 7.855 0.604 25062 14071 1 19 . 1 1 89 89 GLU N N 89 125.736 125.736 126.336 -0.600 25062 14072 1 19 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.956 -0.022 25062 14073 1 19 . 1 1 89 89 GLU C C 89 178.820 178.820 178.476 0.344 25062 14074 1 19 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.839 -0.295 25062 14075 1 19 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.786 -0.159 25062 14076 1 19 . 1 1 89 89 GLU H H 89 8.840 8.840 8.910 -0.070 25062 14077 1 19 . 1 1 90 90 GLU N N 90 119.813 119.813 119.006 0.807 25062 14078 1 19 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.136 0.100 25062 14079 1 19 . 1 1 90 90 GLU C C 90 178.385 178.385 178.951 -0.566 25062 14080 1 19 . 1 1 90 90 GLU CA C 90 58.807 58.807 58.743 0.064 25062 14081 1 19 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.307 -0.130 25062 14082 1 19 . 1 1 90 90 GLU H H 90 8.300 8.300 8.013 0.287 25062 14083 1 19 . 1 1 91 91 ALA N N 91 123.211 123.211 122.412 0.799 25062 14084 1 19 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.175 -0.044 25062 14085 1 19 . 1 1 91 91 ALA C C 91 181.895 181.895 179.682 2.213 25062 14086 1 19 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.856 -0.156 25062 14087 1 19 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.406 -0.525 25062 14088 1 19 . 1 1 91 91 ALA H H 91 7.670 7.670 8.044 -0.374 25062 14089 1 19 . 1 1 92 92 LEU N N 92 118.903 118.903 119.281 -0.378 25062 14090 1 19 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.921 0.084 25062 14091 1 19 . 1 1 92 92 LEU C C 92 177.951 177.951 179.301 -1.350 25062 14092 1 19 . 1 1 92 92 LEU CA C 92 57.950 57.950 58.111 -0.161 25062 14093 1 19 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.792 0.390 25062 14094 1 19 . 1 1 92 92 LEU H H 92 8.190 8.190 7.580 0.610 25062 14095 1 19 . 1 1 93 93 ARG N N 93 118.916 118.916 117.397 1.519 25062 14096 1 19 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.134 -0.036 25062 14097 1 19 . 1 1 93 93 ARG C C 93 178.775 178.775 178.938 -0.163 25062 14098 1 19 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.812 -0.470 25062 14099 1 19 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.221 -0.076 25062 14100 1 19 . 1 1 93 93 ARG H H 93 7.868 7.868 8.494 -0.626 25062 14101 1 19 . 1 1 94 94 LYS N N 94 118.989 118.989 119.937 -0.948 25062 14102 1 19 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.166 -0.109 25062 14103 1 19 . 1 1 94 94 LYS C C 94 179.270 179.270 179.114 0.156 25062 14104 1 19 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.192 0.043 25062 14105 1 19 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.240 0.194 25062 14106 1 19 . 1 1 94 94 LYS H H 94 8.236 8.236 7.610 0.626 25062 14107 1 19 . 1 1 95 95 GLY N N 95 107.084 107.084 107.496 -0.412 25062 14108 1 19 . 1 1 95 95 GLY C C 95 175.285 175.285 175.778 -0.493 25062 14109 1 19 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.884 0.161 25062 14110 1 19 . 1 1 95 95 GLY H H 95 8.296 8.296 7.758 0.538 25062 14111 1 19 . 1 1 96 96 TYR N N 96 121.591 121.591 123.368 -1.777 25062 14112 1 19 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.105 -0.059 25062 14113 1 19 . 1 1 96 96 TYR C C 96 176.428 176.428 177.343 -0.915 25062 14114 1 19 . 1 1 96 96 TYR CA C 96 61.444 61.444 60.863 0.581 25062 14115 1 19 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.492 0.098 25062 14116 1 19 . 1 1 96 96 TYR H H 96 8.372 8.372 8.147 0.225 25062 14117 1 19 . 1 1 97 97 GLU N N 97 117.883 117.883 116.600 1.283 25062 14118 1 19 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.767 0.064 25062 14119 1 19 . 1 1 97 97 GLU C C 97 178.775 178.775 179.105 -0.330 25062 14120 1 19 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.034 0.215 25062 14121 1 19 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.009 0.533 25062 14122 1 19 . 1 1 97 97 GLU H H 97 8.205 8.205 7.939 0.266 25062 14123 1 19 . 1 1 98 98 ASP N N 98 117.644 117.644 120.625 -2.981 25062 14124 1 19 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.397 -0.052 25062 14125 1 19 . 1 1 98 98 ASP C C 98 177.978 177.978 177.928 0.050 25062 14126 1 19 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.059 0.054 25062 14127 1 19 . 1 1 98 98 ASP CB C 98 41.991 41.991 41.079 0.912 25062 14128 1 19 . 1 1 98 98 ASP H H 98 8.139 8.139 7.818 0.321 25062 14129 1 19 . 1 1 99 99 LYS N N 99 116.691 116.691 117.679 -0.988 25062 14130 1 19 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.329 -0.305 25062 14131 1 19 . 1 1 99 99 LYS C C 99 178.061 178.061 178.485 -0.424 25062 14132 1 19 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.239 -0.233 25062 14133 1 19 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.671 -0.295 25062 14134 1 19 . 1 1 99 99 LYS H H 99 7.886 7.886 7.676 0.210 25062 14135 1 19 . 1 1 100 100 LYS N N 100 120.645 120.645 120.408 0.237 25062 14136 1 19 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.240 -0.166 25062 14137 1 19 . 1 1 100 100 LYS C C 100 180.486 180.486 179.177 1.309 25062 14138 1 19 . 1 1 100 100 LYS CA C 100 58.183 58.183 59.000 -0.817 25062 14139 1 19 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.224 -0.858 25062 14140 1 19 . 1 1 100 100 LYS H H 100 8.395 8.395 7.879 0.516 25062 14141 1 19 . 1 1 101 101 LYS N N 101 119.297 119.297 117.214 2.083 25062 14142 1 19 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.125 -0.043 25062 14143 1 19 . 1 1 101 101 LYS C C 101 177.669 177.669 177.489 0.180 25062 14144 1 19 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.387 0.079 25062 14145 1 19 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.080 0.165 25062 14146 1 19 . 1 1 101 101 LYS H H 101 7.713 7.713 7.721 -0.008 25062 14147 1 19 . 1 1 102 102 LYS N N 102 116.847 116.847 117.810 -0.963 25062 14148 1 19 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.183 -0.090 25062 14149 1 19 . 1 1 102 102 LYS C C 102 176.357 176.357 175.637 0.720 25062 14150 1 19 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.085 0.704 25062 14151 1 19 . 1 1 102 102 LYS CB C 102 32.003 32.003 31.835 0.168 25062 14152 1 19 . 1 1 102 102 LYS H H 102 7.124 7.124 7.216 -0.092 25062 14153 1 19 . 1 1 103 103 GLY N N 103 105.781 105.781 106.225 -0.444 25062 14154 1 19 . 1 1 103 103 GLY C C 103 174.378 174.378 174.935 -0.557 25062 14155 1 19 . 1 1 103 103 GLY CA C 103 45.054 45.054 45.319 -0.265 25062 14156 1 19 . 1 1 103 103 GLY H H 103 7.771 7.771 7.378 0.393 25062 14157 1 19 . 1 1 104 104 TYR N N 104 119.257 119.257 120.387 -1.130 25062 14158 1 19 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.441 0.497 25062 14159 1 19 . 1 1 104 104 TYR C C 104 175.223 175.223 175.090 0.133 25062 14160 1 19 . 1 1 104 104 TYR CA C 104 54.451 54.451 56.036 -1.585 25062 14161 1 19 . 1 1 104 104 TYR CB C 104 37.745 37.745 37.183 0.562 25062 14162 1 19 . 1 1 104 104 TYR H H 104 6.914 6.914 7.327 -0.413 25062 14163 1 19 . 1 1 105 105 ASP N N 105 122.574 122.574 125.470 -2.896 25062 14164 1 19 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.533 0.248 25062 14165 1 19 . 1 1 105 105 ASP C C 105 174.818 174.818 174.868 -0.050 25062 14166 1 19 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.762 -0.547 25062 14167 1 19 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.464 0.337 25062 14168 1 19 . 1 1 105 105 ASP H H 105 8.223 8.223 8.484 -0.261 25062 14169 1 19 . 1 1 106 106 VAL N N 106 121.990 121.990 125.636 -3.646 25062 14170 1 19 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.646 0.611 25062 14171 1 19 . 1 1 106 106 VAL C C 106 173.835 173.835 175.075 -1.240 25062 14172 1 19 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.405 -1.363 25062 14173 1 19 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.184 1.195 25062 14174 1 19 . 1 1 106 106 VAL H H 106 7.876 7.876 7.880 -0.004 25062 14175 1 19 . 1 1 107 107 TYR N N 107 125.444 125.444 125.589 -0.145 25062 14176 1 19 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.927 0.080 25062 14177 1 19 . 1 1 107 107 TYR C C 107 174.765 174.765 174.678 0.087 25062 14178 1 19 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.459 -0.394 25062 14179 1 19 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.927 -0.038 25062 14180 1 19 . 1 1 107 107 TYR H H 107 9.400 9.400 8.795 0.605 25062 14181 1 19 . 1 1 108 108 THR N N 108 111.100 111.100 113.227 -2.127 25062 14182 1 19 . 1 1 108 108 THR HA H 108 5.212 5.212 5.437 -0.225 25062 14183 1 19 . 1 1 108 108 THR C C 108 174.350 174.350 173.723 0.627 25062 14184 1 19 . 1 1 108 108 THR CA C 108 59.514 59.514 59.561 -0.047 25062 14185 1 19 . 1 1 108 108 THR CB C 108 70.911 70.911 71.609 -0.698 25062 14186 1 19 . 1 1 108 108 THR H H 108 8.801 8.801 8.391 0.410 25062 14187 1 19 . 1 1 109 109 SER N N 109 114.650 114.650 117.323 -2.673 25062 14188 1 19 . 1 1 109 109 SER HA H 109 4.901 4.901 4.911 -0.010 25062 14189 1 19 . 1 1 109 109 SER C C 109 172.399 172.399 174.247 -1.848 25062 14190 1 19 . 1 1 109 109 SER CA C 109 57.974 57.974 57.292 0.681 25062 14191 1 19 . 1 1 109 109 SER CB C 109 67.764 67.764 66.445 1.319 25062 14192 1 19 . 1 1 109 109 SER H H 109 8.565 8.565 8.504 0.061 25062 14193 1 19 . 1 1 110 110 ARG N N 110 119.807 119.807 122.454 -2.647 25062 14194 1 19 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.646 0.363 25062 14195 1 19 . 1 1 110 110 ARG C C 110 175.995 175.995 176.343 -0.348 25062 14196 1 19 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.864 -1.855 25062 14197 1 19 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.005 0.812 25062 14198 1 19 . 1 1 110 110 ARG H H 110 8.948 8.948 8.579 0.369 25062 14199 1 19 . 1 1 111 111 ASN N N 111 110.690 110.690 112.995 -2.305 25062 14200 1 19 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.915 -0.282 25062 14201 1 19 . 1 1 111 111 ASN C C 111 174.460 174.460 175.306 -0.846 25062 14202 1 19 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.239 -0.869 25062 14203 1 19 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.774 -0.657 25062 14204 1 19 . 1 1 111 111 ASN H H 111 7.426 7.426 7.833 -0.407 25062 14205 1 19 . 1 1 112 112 GLU N N 112 119.451 119.451 119.640 -0.189 25062 14206 1 19 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.968 -0.160 25062 14207 1 19 . 1 1 112 112 GLU C C 112 176.445 176.445 177.887 -1.442 25062 14208 1 19 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.250 -0.057 25062 14209 1 19 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.497 1.109 25062 14210 1 19 . 1 1 112 112 GLU H H 112 9.529 9.529 8.791 0.738 25062 14211 1 19 . 1 1 113 113 ASP N N 113 120.739 120.739 119.179 1.560 25062 14212 1 19 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.361 0.008 25062 14213 1 19 . 1 1 113 113 ASP C C 113 179.043 179.043 178.871 0.172 25062 14214 1 19 . 1 1 113 113 ASP CA C 113 58.105 58.105 58.045 0.060 25062 14215 1 19 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.476 0.471 25062 14216 1 19 . 1 1 113 113 ASP H H 113 8.256 8.256 8.362 -0.106 25062 14217 1 19 . 1 1 114 114 GLU N N 114 119.817 119.817 119.752 0.065 25062 14218 1 19 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.069 -0.019 25062 14219 1 19 . 1 1 114 114 GLU C C 114 178.770 178.770 178.656 0.114 25062 14220 1 19 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.895 0.345 25062 14221 1 19 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.570 1.086 25062 14222 1 19 . 1 1 114 114 GLU H H 114 8.577 8.577 7.809 0.768 25062 14223 1 19 . 1 1 115 115 ALA N N 115 121.470 121.470 122.134 -0.664 25062 14224 1 19 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.055 0.000 25062 14225 1 19 . 1 1 115 115 ALA C C 115 178.962 178.962 179.188 -0.226 25062 14226 1 19 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.110 0.103 25062 14227 1 19 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.410 1.447 25062 14228 1 19 . 1 1 115 115 ALA H H 115 8.358 8.358 8.082 0.276 25062 14229 1 19 . 1 1 116 116 LYS N N 116 117.285 117.285 118.627 -1.342 25062 14230 1 19 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.043 -0.385 25062 14231 1 19 . 1 1 116 116 LYS C C 116 178.583 178.583 178.816 -0.233 25062 14232 1 19 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.463 1.454 25062 14233 1 19 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.415 0.396 25062 14234 1 19 . 1 1 116 116 LYS H H 116 8.350 8.350 8.158 0.192 25062 14235 1 19 . 1 1 117 117 LYS N N 117 118.433 118.433 118.910 -0.477 25062 14236 1 19 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.036 -0.050 25062 14237 1 19 . 1 1 117 117 LYS C C 117 179.380 179.380 179.278 0.102 25062 14238 1 19 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.391 0.214 25062 14239 1 19 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.424 -0.042 25062 14240 1 19 . 1 1 117 117 LYS H H 117 7.345 7.345 7.588 -0.243 25062 14241 1 19 . 1 1 118 118 LYS N N 118 118.166 118.166 118.803 -0.637 25062 14242 1 19 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.820 0.119 25062 14243 1 19 . 1 1 118 118 LYS C C 118 178.088 178.088 178.666 -0.578 25062 14244 1 19 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.549 0.007 25062 14245 1 19 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.914 -0.774 25062 14246 1 19 . 1 1 118 118 LYS H H 118 8.130 8.130 7.746 0.384 25062 14247 1 19 . 1 1 119 119 LEU N N 119 120.654 120.654 121.128 -0.474 25062 14248 1 19 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.999 -0.215 25062 14249 1 19 . 1 1 119 119 LEU C C 119 177.567 177.567 177.992 -0.425 25062 14250 1 19 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.435 0.479 25062 14251 1 19 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.888 0.286 25062 14252 1 19 . 1 1 119 119 LEU H H 119 8.592 8.592 7.846 0.746 25062 14253 1 19 . 1 1 120 120 LYS N N 120 118.314 118.314 118.650 -0.336 25062 14254 1 19 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.638 -0.093 25062 14255 1 19 . 1 1 120 120 LYS C C 120 178.624 178.624 178.731 -0.107 25062 14256 1 19 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.820 0.470 25062 14257 1 19 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.953 -0.189 25062 14258 1 19 . 1 1 120 120 LYS H H 120 7.753 7.753 7.963 -0.210 25062 14259 1 19 . 1 1 121 121 GLU N N 121 118.446 118.446 118.722 -0.276 25062 14260 1 19 . 1 1 121 121 GLU HA H 121 4.006 4.006 3.941 0.065 25062 14261 1 19 . 1 1 121 121 GLU C C 121 178.744 178.744 178.658 0.086 25062 14262 1 19 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.334 0.205 25062 14263 1 19 . 1 1 121 121 GLU CB C 121 29.363 29.363 28.702 0.661 25062 14264 1 19 . 1 1 121 121 GLU H H 121 7.777 7.777 7.534 0.243 25062 14265 1 19 . 1 1 122 122 ALA N N 122 121.333 121.333 120.788 0.545 25062 14266 1 19 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.172 -0.216 25062 14267 1 19 . 1 1 122 122 ALA C C 122 179.973 179.973 179.793 0.180 25062 14268 1 19 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.668 0.292 25062 14269 1 19 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.291 0.137 25062 14270 1 19 . 1 1 122 122 ALA H H 122 8.229 8.229 7.500 0.729 25062 14271 1 19 . 1 1 123 123 LEU N N 123 118.790 118.790 119.306 -0.516 25062 14272 1 19 . 1 1 123 123 LEU HA H 123 3.780 3.780 3.891 -0.111 25062 14273 1 19 . 1 1 123 123 LEU C C 123 179.703 179.703 179.151 0.552 25062 14274 1 19 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.779 0.110 25062 14275 1 19 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.628 -0.776 25062 14276 1 19 . 1 1 123 123 LEU H H 123 8.177 8.177 7.721 0.456 25062 14277 1 19 . 1 1 124 124 GLU N N 124 120.881 120.881 117.475 3.406 25062 14278 1 19 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.196 -0.052 25062 14279 1 19 . 1 1 124 124 GLU C C 124 179.732 179.732 179.090 0.642 25062 14280 1 19 . 1 1 124 124 GLU CA C 124 59.439 59.439 58.620 0.820 25062 14281 1 19 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.618 -0.098 25062 14282 1 19 . 1 1 124 124 GLU H H 124 8.393 8.393 8.017 0.376 25062 14283 1 19 . 1 1 125 125 LYS N N 125 119.526 119.526 117.865 1.661 25062 14284 1 19 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.159 0.100 25062 14285 1 19 . 1 1 125 125 LYS C C 125 177.862 177.862 178.716 -0.854 25062 14286 1 19 . 1 1 125 125 LYS CA C 125 57.945 57.945 57.962 -0.017 25062 14287 1 19 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.239 0.118 25062 14288 1 19 . 1 1 125 125 LYS H H 125 8.290 8.290 7.978 0.312 25062 14289 1 19 . 1 1 126 126 SER N N 126 114.103 114.103 111.721 2.382 25062 14290 1 19 . 1 1 126 126 SER HA H 126 4.385 4.385 4.374 0.011 25062 14291 1 19 . 1 1 126 126 SER C C 126 174.460 174.460 175.616 -1.156 25062 14292 1 19 . 1 1 126 126 SER CA C 126 59.611 59.611 60.150 -0.539 25062 14293 1 19 . 1 1 126 126 SER CB C 126 63.479 63.479 64.629 -1.150 25062 14294 1 19 . 1 1 126 126 SER H H 126 7.702 7.702 7.875 -0.173 25062 14295 1 19 . 1 1 127 127 GLY N N 127 108.584 108.584 109.308 -0.724 25062 14296 1 19 . 1 1 127 127 GLY C C 127 174.103 174.103 174.744 -0.641 25062 14297 1 19 . 1 1 127 127 GLY CA C 127 45.437 45.437 44.837 0.600 25062 14298 1 19 . 1 1 127 127 GLY H H 127 7.933 7.933 7.495 0.438 25062 14299 1 19 . 1 1 128 128 SER N N 128 115.990 115.990 121.391 -5.401 25062 14300 1 19 . 1 1 128 128 SER HA H 128 4.590 4.590 4.507 0.083 25062 14301 1 19 . 1 1 128 128 SER C C 128 174.412 174.412 173.692 0.720 25062 14302 1 19 . 1 1 128 128 SER CA C 128 57.986 57.986 59.659 -1.673 25062 14303 1 19 . 1 1 128 128 SER CB C 128 63.336 63.336 61.822 1.514 25062 14304 1 19 . 1 1 128 128 SER H H 128 8.091 8.091 8.080 0.011 25062 14305 1 19 . 1 1 129 129 LEU N N 129 125.492 125.492 125.232 0.260 25062 14306 1 19 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.596 -0.155 25062 14307 1 19 . 1 1 129 129 LEU C C 129 177.084 177.084 177.946 -0.862 25062 14308 1 19 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.950 -0.074 25062 14309 1 19 . 1 1 129 129 LEU CB C 129 42.309 42.309 42.933 -0.624 25062 14310 1 19 . 1 1 129 129 LEU H H 129 8.262 8.262 8.096 0.166 25062 14311 1 19 . 1 1 130 130 GLU N N 130 121.006 121.006 122.520 -1.514 25062 14312 1 19 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.520 -0.545 25062 14313 1 19 . 1 1 130 130 GLU C C 130 176.435 176.435 175.893 0.542 25062 14314 1 19 . 1 1 130 130 GLU CA C 130 56.812 56.812 54.760 2.052 25062 14315 1 19 . 1 1 130 130 GLU CB C 130 30.279 30.279 28.035 2.244 25062 14316 1 19 . 1 1 130 130 GLU H H 130 8.398 8.398 8.686 -0.288 25062 14317 1 19 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.191 0.400 25062 14318 1 19 . 1 1 131 131 HIS C C 131 174.179 174.179 175.313 -1.134 25062 14319 1 19 . 1 1 131 131 HIS CA C 131 56.149 56.149 57.408 -1.259 25062 14320 1 19 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.480 1.351 25062 14321 1 19 . 1 1 132 132 HIS N N 132 125.794 125.794 118.396 7.398 25062 14322 1 19 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.643 -0.227 25062 14323 1 19 . 1 1 132 132 HIS C C 132 179.523 179.523 175.933 3.590 25062 14324 1 19 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.628 0.888 25062 14325 1 19 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.024 1.984 25062 14326 1 19 . 1 1 132 132 HIS H H 132 7.935 7.935 7.946 -0.011 25062 14327 1 20 . 1 1 2 2 GLY N N 2 109.342 109.342 110.467 -1.125 25062 14328 1 20 . 1 1 2 2 GLY C C 2 172.736 172.736 172.370 0.366 25062 14329 1 20 . 1 1 2 2 GLY CA C 2 45.656 45.656 44.712 0.944 25062 14330 1 20 . 1 1 2 2 GLY H H 2 8.632 8.632 8.407 0.225 25062 14331 1 20 . 1 1 3 3 VAL N N 3 123.457 123.457 122.887 0.570 25062 14332 1 20 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.577 0.404 25062 14333 1 20 . 1 1 3 3 VAL C C 3 173.780 173.780 174.559 -0.779 25062 14334 1 20 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.758 -1.408 25062 14335 1 20 . 1 1 3 3 VAL CB C 3 36.113 36.113 36.070 0.043 25062 14336 1 20 . 1 1 3 3 VAL H H 3 7.516 7.516 7.705 -0.189 25062 14337 1 20 . 1 1 4 4 VAL N N 4 125.375 125.375 127.280 -1.905 25062 14338 1 20 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.653 -0.122 25062 14339 1 20 . 1 1 4 4 VAL C C 4 173.185 173.185 175.312 -2.127 25062 14340 1 20 . 1 1 4 4 VAL CA C 4 60.501 60.501 60.743 -0.242 25062 14341 1 20 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.190 1.605 25062 14342 1 20 . 1 1 4 4 VAL H H 4 8.810 8.810 8.406 0.404 25062 14343 1 20 . 1 1 5 5 ILE N N 5 127.180 127.180 129.348 -2.168 25062 14344 1 20 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.620 0.249 25062 14345 1 20 . 1 1 5 5 ILE C C 5 174.303 174.303 175.070 -0.767 25062 14346 1 20 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.326 -0.916 25062 14347 1 20 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.359 0.284 25062 14348 1 20 . 1 1 5 5 ILE H H 5 8.800 8.800 8.963 -0.163 25062 14349 1 20 . 1 1 6 6 LEU N N 6 129.025 129.025 129.475 -0.450 25062 14350 1 20 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.893 0.120 25062 14351 1 20 . 1 1 6 6 LEU C C 6 174.847 174.847 176.375 -1.528 25062 14352 1 20 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.741 -0.273 25062 14353 1 20 . 1 1 6 6 LEU CB C 6 44.293 44.293 41.887 2.406 25062 14354 1 20 . 1 1 6 6 LEU H H 6 9.424 9.424 8.675 0.749 25062 14355 1 20 . 1 1 7 7 VAL N N 7 123.364 123.364 126.128 -2.764 25062 14356 1 20 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.555 0.102 25062 14357 1 20 . 1 1 7 7 VAL C C 7 174.210 174.210 175.463 -1.253 25062 14358 1 20 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.441 -0.614 25062 14359 1 20 . 1 1 7 7 VAL CB C 7 32.253 32.253 32.432 -0.180 25062 14360 1 20 . 1 1 7 7 VAL H H 7 8.653 8.653 8.534 0.119 25062 14361 1 20 . 1 1 8 8 LEU N N 8 130.560 130.560 131.628 -1.068 25062 14362 1 20 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.844 0.452 25062 14363 1 20 . 1 1 8 8 LEU C C 8 175.744 175.744 176.847 -1.103 25062 14364 1 20 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.367 -0.481 25062 14365 1 20 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.181 1.315 25062 14366 1 20 . 1 1 8 8 LEU H H 8 9.069 9.069 8.717 0.352 25062 14367 1 20 . 1 1 9 9 THR N N 9 112.810 112.810 114.526 -1.716 25062 14368 1 20 . 1 1 9 9 THR HA H 9 4.959 4.959 5.051 -0.092 25062 14369 1 20 . 1 1 9 9 THR C C 9 174.213 174.213 176.459 -2.246 25062 14370 1 20 . 1 1 9 9 THR CA C 9 59.948 59.948 59.665 0.283 25062 14371 1 20 . 1 1 9 9 THR CB C 9 70.756 70.756 71.015 -0.259 25062 14372 1 20 . 1 1 9 9 THR H H 9 8.028 8.028 8.613 -0.585 25062 14373 1 20 . 1 1 10 10 GLY N N 10 107.740 107.740 112.138 -4.398 25062 14374 1 20 . 1 1 10 10 GLY C C 10 173.064 173.064 172.955 0.109 25062 14375 1 20 . 1 1 10 10 GLY CA C 10 45.430 45.430 46.815 -1.385 25062 14376 1 20 . 1 1 10 10 GLY H H 10 7.827 7.827 8.463 -0.636 25062 14377 1 20 . 1 1 11 11 ASP N N 11 119.119 119.119 118.749 0.370 25062 14378 1 20 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.854 -0.001 25062 14379 1 20 . 1 1 11 11 ASP C C 11 176.118 176.118 175.899 0.219 25062 14380 1 20 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.260 -0.288 25062 14381 1 20 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.185 0.056 25062 14382 1 20 . 1 1 11 11 ASP H H 11 7.642 7.642 7.665 -0.023 25062 14383 1 20 . 1 1 12 12 GLU HA H 12 4.100 4.100 3.931 0.169 25062 14384 1 20 . 1 1 12 12 GLU C C 12 178.508 178.508 177.954 0.554 25062 14385 1 20 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.263 -0.799 25062 14386 1 20 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.878 -0.545 25062 14387 1 20 . 1 1 13 13 ARG N N 13 121.589 121.589 117.656 3.933 25062 14388 1 20 . 1 1 13 13 ARG HA H 13 4.137 4.137 3.972 0.165 25062 14389 1 20 . 1 1 13 13 ARG C C 13 179.625 179.625 178.604 1.021 25062 14390 1 20 . 1 1 13 13 ARG CA C 13 59.418 59.418 59.443 -0.025 25062 14391 1 20 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.866 -0.511 25062 14392 1 20 . 1 1 13 13 ARG H H 13 8.593 8.593 8.371 0.222 25062 14393 1 20 . 1 1 14 14 ILE N N 14 119.911 119.911 119.168 0.743 25062 14394 1 20 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.813 -0.163 25062 14395 1 20 . 1 1 14 14 ILE C C 14 177.727 177.727 177.525 0.202 25062 14396 1 20 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.421 0.737 25062 14397 1 20 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.562 -0.223 25062 14398 1 20 . 1 1 14 14 ILE H H 14 7.823 7.823 7.378 0.445 25062 14399 1 20 . 1 1 15 15 ALA N N 15 121.015 121.015 121.262 -0.247 25062 14400 1 20 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.710 0.009 25062 14401 1 20 . 1 1 15 15 ALA C C 15 178.994 178.994 179.081 -0.087 25062 14402 1 20 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.034 0.856 25062 14403 1 20 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.660 0.191 25062 14404 1 20 . 1 1 15 15 ALA H H 15 7.610 7.610 7.584 0.026 25062 14405 1 20 . 1 1 16 16 GLU N N 16 117.655 117.655 118.466 -0.811 25062 14406 1 20 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.799 0.335 25062 14407 1 20 . 1 1 16 16 GLU C C 16 178.517 178.517 178.704 -0.187 25062 14408 1 20 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.214 -0.935 25062 14409 1 20 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.636 -0.414 25062 14410 1 20 . 1 1 16 16 GLU H H 16 7.808 7.808 7.847 -0.039 25062 14411 1 20 . 1 1 17 17 GLU N N 17 119.648 119.648 118.867 0.781 25062 14412 1 20 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.094 -0.040 25062 14413 1 20 . 1 1 17 17 GLU C C 17 180.213 180.213 179.236 0.977 25062 14414 1 20 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.842 0.392 25062 14415 1 20 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.451 -0.299 25062 14416 1 20 . 1 1 17 17 GLU H H 17 8.002 8.002 7.835 0.167 25062 14417 1 20 . 1 1 18 18 LEU N N 18 119.118 119.118 120.983 -1.865 25062 14418 1 20 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.072 0.028 25062 14419 1 20 . 1 1 18 18 LEU C C 18 178.233 178.233 178.814 -0.581 25062 14420 1 20 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.513 0.293 25062 14421 1 20 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.745 -0.875 25062 14422 1 20 . 1 1 18 18 LEU H H 18 8.554 8.554 8.284 0.270 25062 14423 1 20 . 1 1 19 19 ARG N N 19 122.158 122.158 119.883 2.275 25062 14424 1 20 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.186 -0.371 25062 14425 1 20 . 1 1 19 19 ARG C C 19 178.686 178.686 178.202 0.484 25062 14426 1 20 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.921 0.995 25062 14427 1 20 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.855 -0.516 25062 14428 1 20 . 1 1 19 19 ARG H H 19 8.274 8.274 7.640 0.634 25062 14429 1 20 . 1 1 20 20 LYS N N 20 118.130 118.130 118.724 -0.594 25062 14430 1 20 . 1 1 20 20 LYS HA H 20 3.935 3.935 3.977 -0.042 25062 14431 1 20 . 1 1 20 20 LYS C C 20 179.078 179.078 179.263 -0.185 25062 14432 1 20 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.735 0.018 25062 14433 1 20 . 1 1 20 20 LYS CB C 20 32.440 32.440 32.030 0.410 25062 14434 1 20 . 1 1 20 20 LYS H H 20 7.977 7.977 7.568 0.409 25062 14435 1 20 . 1 1 21 21 GLU N N 21 120.451 120.451 118.854 1.597 25062 14436 1 20 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.121 -0.066 25062 14437 1 20 . 1 1 21 21 GLU C C 21 178.995 178.995 179.258 -0.263 25062 14438 1 20 . 1 1 21 21 GLU CA C 21 59.103 59.103 59.009 0.094 25062 14439 1 20 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.230 -0.067 25062 14440 1 20 . 1 1 21 21 GLU H H 21 7.813 7.813 7.555 0.258 25062 14441 1 20 . 1 1 22 22 VAL N N 22 119.654 119.654 120.024 -0.370 25062 14442 1 20 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.684 -0.244 25062 14443 1 20 . 1 1 22 22 VAL C C 22 176.428 176.428 178.129 -1.701 25062 14444 1 20 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.690 0.431 25062 14445 1 20 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.080 0.372 25062 14446 1 20 . 1 1 22 22 VAL H H 22 8.146 8.146 8.153 -0.007 25062 14447 1 20 . 1 1 23 23 GLN N N 23 116.884 116.884 117.994 -1.110 25062 14448 1 20 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.428 -0.476 25062 14449 1 20 . 1 1 23 23 GLN C C 23 177.429 177.429 178.604 -1.175 25062 14450 1 20 . 1 1 23 23 GLN CA C 23 58.767 58.767 57.840 0.927 25062 14451 1 20 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.325 0.226 25062 14452 1 20 . 1 1 23 23 GLN H H 23 7.588 7.588 8.084 -0.496 25062 14453 1 20 . 1 1 24 24 LYS N N 24 116.529 116.529 118.552 -2.023 25062 14454 1 20 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.150 -0.154 25062 14455 1 20 . 1 1 24 24 LYS C C 24 177.508 177.508 178.956 -1.448 25062 14456 1 20 . 1 1 24 24 LYS CA C 24 58.414 58.414 58.502 -0.088 25062 14457 1 20 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.667 0.250 25062 14458 1 20 . 1 1 24 24 LYS H H 24 7.544 7.544 7.891 -0.347 25062 14459 1 20 . 1 1 25 25 HIS N N 25 119.657 119.657 117.743 1.914 25062 14460 1 20 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.444 -0.191 25062 14461 1 20 . 1 1 25 25 HIS C C 25 175.915 175.915 174.995 0.920 25062 14462 1 20 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.275 1.167 25062 14463 1 20 . 1 1 25 25 HIS CB C 25 31.870 31.870 30.828 1.042 25062 14464 1 20 . 1 1 25 25 HIS H H 25 7.809 7.809 7.819 -0.010 25062 14465 1 20 . 1 1 26 26 ASP N N 26 113.221 113.221 114.513 -1.292 25062 14466 1 20 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.953 -0.218 25062 14467 1 20 . 1 1 26 26 ASP C C 26 173.856 173.856 174.175 -0.319 25062 14468 1 20 . 1 1 26 26 ASP CA C 26 51.670 51.670 51.931 -0.261 25062 14469 1 20 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.301 -0.935 25062 14470 1 20 . 1 1 26 26 ASP H H 26 8.358 8.358 8.063 0.295 25062 14471 1 20 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.632 -0.066 25062 14472 1 20 . 1 1 27 27 PRO C C 27 176.845 176.845 176.222 0.623 25062 14473 1 20 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.754 0.123 25062 14474 1 20 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.540 -0.255 25062 14475 1 20 . 1 1 28 28 ASN N N 28 115.529 115.529 116.100 -0.571 25062 14476 1 20 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.616 0.056 25062 14477 1 20 . 1 1 28 28 ASN C C 28 175.632 175.632 175.348 0.284 25062 14478 1 20 . 1 1 28 28 ASN CA C 28 53.815 53.815 54.020 -0.205 25062 14479 1 20 . 1 1 28 28 ASN CB C 28 39.094 39.094 38.449 0.645 25062 14480 1 20 . 1 1 28 28 ASN H H 28 8.570 8.570 7.790 0.780 25062 14481 1 20 . 1 1 29 29 VAL N N 29 121.867 121.867 119.508 2.359 25062 14482 1 20 . 1 1 29 29 VAL HA H 29 3.884 3.884 4.112 -0.228 25062 14483 1 20 . 1 1 29 29 VAL C C 29 175.085 175.085 176.409 -1.324 25062 14484 1 20 . 1 1 29 29 VAL CA C 29 63.175 63.175 62.314 0.861 25062 14485 1 20 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.632 0.366 25062 14486 1 20 . 1 1 29 29 VAL H H 29 7.465 7.465 7.475 -0.010 25062 14487 1 20 . 1 1 30 30 LYS N N 30 130.242 130.242 128.348 1.894 25062 14488 1 20 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.439 -0.005 25062 14489 1 20 . 1 1 30 30 LYS C C 30 175.093 175.093 176.012 -0.919 25062 14490 1 20 . 1 1 30 30 LYS CA C 30 55.373 55.373 54.523 0.850 25062 14491 1 20 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.642 -1.215 25062 14492 1 20 . 1 1 30 30 LYS H H 30 9.036 9.036 8.386 0.650 25062 14493 1 20 . 1 1 31 31 THR N N 31 113.173 113.173 113.431 -0.258 25062 14494 1 20 . 1 1 31 31 THR HA H 31 5.688 5.688 5.195 0.493 25062 14495 1 20 . 1 1 31 31 THR C C 31 174.708 174.708 173.842 0.866 25062 14496 1 20 . 1 1 31 31 THR CA C 31 58.537 58.537 60.548 -2.011 25062 14497 1 20 . 1 1 31 31 THR CB C 31 71.419 71.419 71.228 0.191 25062 14498 1 20 . 1 1 31 31 THR H H 31 8.185 8.185 8.353 -0.168 25062 14499 1 20 . 1 1 32 32 VAL N N 32 122.168 122.168 123.486 -1.318 25062 14500 1 20 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.639 0.256 25062 14501 1 20 . 1 1 32 32 VAL C C 32 173.388 173.388 173.901 -0.513 25062 14502 1 20 . 1 1 32 32 VAL CA C 32 58.733 58.733 59.347 -0.614 25062 14503 1 20 . 1 1 32 32 VAL CB C 32 33.904 33.904 35.029 -1.125 25062 14504 1 20 . 1 1 32 32 VAL H H 32 8.968 8.968 8.482 0.486 25062 14505 1 20 . 1 1 33 33 PRO HA H 33 4.974 4.974 5.185 -0.211 25062 14506 1 20 . 1 1 33 33 PRO C C 33 177.848 177.848 178.187 -0.339 25062 14507 1 20 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.016 0.326 25062 14508 1 20 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.781 0.240 25062 14509 1 20 . 1 1 34 34 THR N N 34 114.266 114.266 113.029 1.237 25062 14510 1 20 . 1 1 34 34 THR HA H 34 4.118 4.118 4.031 0.087 25062 14511 1 20 . 1 1 34 34 THR C C 34 176.879 176.879 176.603 0.276 25062 14512 1 20 . 1 1 34 34 THR CA C 34 64.607 64.607 66.049 -1.442 25062 14513 1 20 . 1 1 34 34 THR CB C 34 68.311 68.311 68.223 0.088 25062 14514 1 20 . 1 1 34 34 THR H H 34 9.033 9.033 8.576 0.457 25062 14515 1 20 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.251 -0.006 25062 14516 1 20 . 1 1 35 35 LYS C C 35 176.639 176.639 177.178 -0.539 25062 14517 1 20 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.267 -0.133 25062 14518 1 20 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.887 0.416 25062 14519 1 20 . 1 1 36 36 ASP N N 36 120.993 120.993 119.330 1.663 25062 14520 1 20 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.893 0.122 25062 14521 1 20 . 1 1 36 36 ASP C C 36 176.202 176.202 175.350 0.852 25062 14522 1 20 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.616 -0.180 25062 14523 1 20 . 1 1 36 36 ASP CB C 36 41.110 41.110 41.369 -0.259 25062 14524 1 20 . 1 1 36 36 ASP H H 36 7.726 7.726 7.628 0.098 25062 14525 1 20 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.930 0.058 25062 14526 1 20 . 1 1 37 37 LYS C C 37 177.948 177.948 177.688 0.260 25062 14527 1 20 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.244 0.064 25062 14528 1 20 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.651 0.197 25062 14529 1 20 . 1 1 38 38 GLU N N 38 119.141 119.141 117.111 2.030 25062 14530 1 20 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.124 0.126 25062 14531 1 20 . 1 1 38 38 GLU C C 38 178.054 178.054 178.065 -0.011 25062 14532 1 20 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.628 -0.126 25062 14533 1 20 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.164 0.043 25062 14534 1 20 . 1 1 38 38 GLU H H 38 8.883 8.883 8.636 0.247 25062 14535 1 20 . 1 1 39 39 LYS N N 39 118.440 118.440 117.764 0.676 25062 14536 1 20 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.177 0.330 25062 14537 1 20 . 1 1 39 39 LYS C C 39 177.126 177.126 177.996 -0.870 25062 14538 1 20 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.881 -1.574 25062 14539 1 20 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.637 -0.213 25062 14540 1 20 . 1 1 39 39 LYS H H 39 8.064 8.064 7.535 0.529 25062 14541 1 20 . 1 1 40 40 VAL N N 40 118.130 118.130 120.474 -2.344 25062 14542 1 20 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.521 -0.126 25062 14543 1 20 . 1 1 40 40 VAL C C 40 176.934 176.934 177.315 -0.381 25062 14544 1 20 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.918 0.703 25062 14545 1 20 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.400 0.255 25062 14546 1 20 . 1 1 40 40 VAL H H 40 7.308 7.308 7.230 0.078 25062 14547 1 20 . 1 1 41 41 LYS N N 41 118.555 118.555 117.879 0.676 25062 14548 1 20 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.197 0.446 25062 14549 1 20 . 1 1 41 41 LYS C C 41 178.363 178.363 178.677 -0.314 25062 14550 1 20 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.735 1.552 25062 14551 1 20 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.600 -0.146 25062 14552 1 20 . 1 1 41 41 LYS H H 41 8.150 8.150 8.190 -0.040 25062 14553 1 20 . 1 1 42 42 GLU N N 42 119.454 119.454 118.433 1.021 25062 14554 1 20 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.109 -0.011 25062 14555 1 20 . 1 1 42 42 GLU C C 42 179.552 179.552 179.065 0.487 25062 14556 1 20 . 1 1 42 42 GLU CA C 42 59.256 59.256 58.795 0.461 25062 14557 1 20 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.054 0.540 25062 14558 1 20 . 1 1 42 42 GLU H H 42 8.067 8.067 7.675 0.392 25062 14559 1 20 . 1 1 43 43 GLU N N 43 118.427 118.427 119.349 -0.922 25062 14560 1 20 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.157 0.138 25062 14561 1 20 . 1 1 43 43 GLU C C 43 180.076 180.076 179.311 0.765 25062 14562 1 20 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.341 0.114 25062 14563 1 20 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.233 -0.588 25062 14564 1 20 . 1 1 43 43 GLU H H 43 8.189 8.189 7.931 0.258 25062 14565 1 20 . 1 1 44 44 ILE N N 44 122.905 122.905 121.095 1.810 25062 14566 1 20 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.620 0.015 25062 14567 1 20 . 1 1 44 44 ILE C C 44 176.828 176.828 177.649 -0.821 25062 14568 1 20 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.967 0.430 25062 14569 1 20 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.870 -0.331 25062 14570 1 20 . 1 1 44 44 ILE H H 44 8.734 8.734 8.476 0.258 25062 14571 1 20 . 1 1 45 45 GLU N N 45 120.098 120.098 120.855 -0.757 25062 14572 1 20 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.004 0.135 25062 14573 1 20 . 1 1 45 45 GLU C C 45 178.930 178.930 178.901 0.029 25062 14574 1 20 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.732 -0.243 25062 14575 1 20 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.545 -0.397 25062 14576 1 20 . 1 1 45 45 GLU H H 45 8.099 8.099 7.904 0.195 25062 14577 1 20 . 1 1 46 46 LYS N N 46 118.360 118.360 118.955 -0.595 25062 14578 1 20 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.042 -0.033 25062 14579 1 20 . 1 1 46 46 LYS C C 46 178.775 178.775 179.072 -0.297 25062 14580 1 20 . 1 1 46 46 LYS CA C 46 59.902 59.902 59.138 0.764 25062 14581 1 20 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.364 0.338 25062 14582 1 20 . 1 1 46 46 LYS H H 46 7.854 7.854 7.848 0.006 25062 14583 1 20 . 1 1 47 47 ALA N N 47 122.551 122.551 121.753 0.798 25062 14584 1 20 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.023 0.105 25062 14585 1 20 . 1 1 47 47 ALA C C 47 180.095 180.095 179.550 0.545 25062 14586 1 20 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.162 0.241 25062 14587 1 20 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.486 -0.781 25062 14588 1 20 . 1 1 47 47 ALA H H 47 8.135 8.135 7.847 0.288 25062 14589 1 20 . 1 1 48 48 ARG N N 48 118.945 118.945 119.517 -0.572 25062 14590 1 20 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.036 0.021 25062 14591 1 20 . 1 1 48 48 ARG C C 48 179.960 179.960 179.025 0.935 25062 14592 1 20 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.155 0.132 25062 14593 1 20 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.125 -0.673 25062 14594 1 20 . 1 1 48 48 ARG H H 48 8.655 8.655 8.356 0.299 25062 14595 1 20 . 1 1 49 49 LYS N N 49 119.557 119.557 118.325 1.232 25062 14596 1 20 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.101 -0.044 25062 14597 1 20 . 1 1 49 49 LYS C C 49 178.288 178.288 177.738 0.550 25062 14598 1 20 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.564 0.406 25062 14599 1 20 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.366 0.287 25062 14600 1 20 . 1 1 49 49 LYS H H 49 8.058 8.058 7.936 0.122 25062 14601 1 20 . 1 1 50 50 GLN N N 50 115.215 115.215 115.403 -0.188 25062 14602 1 20 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.375 0.002 25062 14603 1 20 . 1 1 50 50 GLN C C 50 176.439 176.439 175.813 0.626 25062 14604 1 20 . 1 1 50 50 GLN CA C 50 55.973 55.973 54.918 1.055 25062 14605 1 20 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.210 0.598 25062 14606 1 20 . 1 1 50 50 GLN H H 50 7.938 7.938 7.616 0.322 25062 14607 1 20 . 1 1 51 51 GLY N N 51 109.413 109.413 109.127 0.286 25062 14608 1 20 . 1 1 51 51 GLY C C 51 174.570 174.570 173.778 0.792 25062 14609 1 20 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.678 0.917 25062 14610 1 20 . 1 1 51 51 GLY H H 51 8.070 8.070 7.824 0.246 25062 14611 1 20 . 1 1 52 52 ARG N N 52 119.414 119.414 119.373 0.041 25062 14612 1 20 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.700 0.202 25062 14613 1 20 . 1 1 52 52 ARG C C 52 173.093 173.093 174.140 -1.047 25062 14614 1 20 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.846 0.132 25062 14615 1 20 . 1 1 52 52 ARG CB C 52 32.410 32.410 32.913 -0.502 25062 14616 1 20 . 1 1 52 52 ARG H H 52 7.950 7.950 7.958 -0.008 25062 14617 1 20 . 1 1 53 53 PRO HA H 53 5.074 5.074 5.361 -0.287 25062 14618 1 20 . 1 1 53 53 PRO C C 53 174.179 174.179 175.919 -1.740 25062 14619 1 20 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.303 -0.326 25062 14620 1 20 . 1 1 53 53 PRO CB C 53 32.534 32.534 33.160 -0.626 25062 14621 1 20 . 1 1 54 54 ILE N N 54 115.161 115.161 119.260 -4.099 25062 14622 1 20 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.900 0.058 25062 14623 1 20 . 1 1 54 54 ILE C C 54 172.097 172.097 173.625 -1.528 25062 14624 1 20 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.837 -1.064 25062 14625 1 20 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.525 0.210 25062 14626 1 20 . 1 1 54 54 ILE H H 54 7.718 7.718 8.524 -0.806 25062 14627 1 20 . 1 1 55 55 VAL N N 55 126.019 126.019 129.868 -3.849 25062 14628 1 20 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.458 0.422 25062 14629 1 20 . 1 1 55 55 VAL C C 55 173.844 173.844 174.886 -1.042 25062 14630 1 20 . 1 1 55 55 VAL CA C 55 60.293 60.293 61.066 -0.773 25062 14631 1 20 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.869 1.399 25062 14632 1 20 . 1 1 55 55 VAL H H 55 8.352 8.352 8.910 -0.558 25062 14633 1 20 . 1 1 56 56 VAL N N 56 127.584 127.584 128.303 -0.719 25062 14634 1 20 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.292 0.149 25062 14635 1 20 . 1 1 56 56 VAL C C 56 173.968 173.968 175.462 -1.494 25062 14636 1 20 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.349 -0.806 25062 14637 1 20 . 1 1 56 56 VAL CB C 56 34.380 34.380 31.982 2.398 25062 14638 1 20 . 1 1 56 56 VAL H H 56 9.291 9.291 8.398 0.893 25062 14639 1 20 . 1 1 57 57 PHE N N 57 125.432 125.432 128.755 -3.323 25062 14640 1 20 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.835 0.095 25062 14641 1 20 . 1 1 57 57 PHE C C 57 174.987 174.987 175.684 -0.697 25062 14642 1 20 . 1 1 57 57 PHE CA C 57 58.208 58.208 58.024 0.184 25062 14643 1 20 . 1 1 57 57 PHE CB C 57 39.886 39.886 38.367 1.519 25062 14644 1 20 . 1 1 57 57 PHE H H 57 8.585 8.585 8.556 0.029 25062 14645 1 20 . 1 1 58 58 VAL N N 58 123.763 123.763 123.642 0.121 25062 14646 1 20 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.300 -0.098 25062 14647 1 20 . 1 1 58 58 VAL C C 58 174.791 174.791 175.607 -0.816 25062 14648 1 20 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.784 0.097 25062 14649 1 20 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.361 0.351 25062 14650 1 20 . 1 1 58 58 VAL H H 58 9.008 9.008 8.590 0.418 25062 14651 1 20 . 1 1 59 59 ARG N N 59 127.924 127.924 122.779 5.145 25062 14652 1 20 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.658 -0.076 25062 14653 1 20 . 1 1 59 59 ARG C C 59 177.755 177.755 177.574 0.181 25062 14654 1 20 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.988 0.550 25062 14655 1 20 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.008 -0.495 25062 14656 1 20 . 1 1 59 59 ARG H H 59 8.820 8.820 8.602 0.218 25062 14657 1 20 . 1 1 60 60 GLY N N 60 110.441 110.441 109.996 0.445 25062 14658 1 20 . 1 1 60 60 GLY C C 60 174.818 174.818 174.174 0.644 25062 14659 1 20 . 1 1 60 60 GLY CA C 60 46.988 46.988 45.176 1.812 25062 14660 1 20 . 1 1 60 60 GLY H H 60 8.200 8.200 8.421 -0.221 25062 14661 1 20 . 1 1 61 61 GLY N N 61 109.411 109.411 112.950 -3.539 25062 14662 1 20 . 1 1 61 61 GLY C C 61 174.550 174.550 174.368 0.182 25062 14663 1 20 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.596 -0.165 25062 14664 1 20 . 1 1 61 61 GLY H H 61 7.995 7.995 7.840 0.155 25062 14665 1 20 . 1 1 62 62 ASP N N 62 122.920 122.920 124.482 -1.562 25062 14666 1 20 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.856 0.165 25062 14667 1 20 . 1 1 62 62 ASP C C 62 176.247 176.247 175.543 0.704 25062 14668 1 20 . 1 1 62 62 ASP CA C 62 52.527 52.527 53.341 -0.814 25062 14669 1 20 . 1 1 62 62 ASP CB C 62 39.815 39.815 39.403 0.412 25062 14670 1 20 . 1 1 62 62 ASP H H 62 8.090 8.090 7.811 0.279 25062 14671 1 20 . 1 1 63 63 ASP N N 63 121.058 121.058 122.895 -1.837 25062 14672 1 20 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.300 -0.034 25062 14673 1 20 . 1 1 63 63 ASP C C 63 178.418 178.418 177.638 0.780 25062 14674 1 20 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.321 0.020 25062 14675 1 20 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.569 0.003 25062 14676 1 20 . 1 1 63 63 ASP H H 63 8.023 8.023 7.979 0.044 25062 14677 1 20 . 1 1 64 64 GLU N N 64 119.564 119.564 119.748 -0.184 25062 14678 1 20 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.044 0.007 25062 14679 1 20 . 1 1 64 64 GLU C C 64 178.321 178.321 178.878 -0.557 25062 14680 1 20 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.786 -0.404 25062 14681 1 20 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.604 -0.560 25062 14682 1 20 . 1 1 64 64 GLU H H 64 8.760 8.760 8.751 0.009 25062 14683 1 20 . 1 1 65 65 ARG N N 65 119.839 119.839 117.694 2.145 25062 14684 1 20 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.071 0.125 25062 14685 1 20 . 1 1 65 65 ARG C C 65 178.305 178.305 178.527 -0.222 25062 14686 1 20 . 1 1 65 65 ARG CA C 65 59.052 59.052 59.039 0.013 25062 14687 1 20 . 1 1 65 65 ARG CB C 65 30.637 30.637 30.044 0.593 25062 14688 1 20 . 1 1 65 65 ARG H H 65 7.643 7.643 8.277 -0.634 25062 14689 1 20 . 1 1 66 66 ALA N N 66 118.984 118.984 122.161 -3.177 25062 14690 1 20 . 1 1 66 66 ALA HA H 66 3.866 3.866 3.959 -0.093 25062 14691 1 20 . 1 1 66 66 ALA C C 66 178.638 178.638 179.253 -0.615 25062 14692 1 20 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.394 0.072 25062 14693 1 20 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.426 -0.065 25062 14694 1 20 . 1 1 66 66 ALA H H 66 7.782 7.782 7.964 -0.182 25062 14695 1 20 . 1 1 67 67 LYS N N 67 117.711 117.711 116.689 1.022 25062 14696 1 20 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.101 -0.082 25062 14697 1 20 . 1 1 67 67 LYS C C 67 178.363 178.363 178.353 0.010 25062 14698 1 20 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.314 0.259 25062 14699 1 20 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.169 0.056 25062 14700 1 20 . 1 1 67 67 LYS H H 67 8.010 8.010 7.996 0.014 25062 14701 1 20 . 1 1 68 68 ASP N N 68 119.581 119.581 121.513 -1.932 25062 14702 1 20 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.533 -0.119 25062 14703 1 20 . 1 1 68 68 ASP C C 68 179.235 179.235 178.821 0.414 25062 14704 1 20 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.190 0.304 25062 14705 1 20 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.854 0.533 25062 14706 1 20 . 1 1 68 68 ASP H H 68 7.999 7.999 7.589 0.410 25062 14707 1 20 . 1 1 69 69 ILE N N 69 119.307 119.307 119.679 -0.372 25062 14708 1 20 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.771 -0.178 25062 14709 1 20 . 1 1 69 69 ILE C C 69 176.927 176.927 177.772 -0.845 25062 14710 1 20 . 1 1 69 69 ILE CA C 69 65.226 65.226 64.813 0.413 25062 14711 1 20 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.635 0.229 25062 14712 1 20 . 1 1 69 69 ILE H H 69 8.283 8.283 7.978 0.305 25062 14713 1 20 . 1 1 70 70 ALA N N 70 121.395 121.395 122.655 -1.260 25062 14714 1 20 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.753 -0.021 25062 14715 1 20 . 1 1 70 70 ALA C C 70 178.770 178.770 179.160 -0.390 25062 14716 1 20 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.032 0.509 25062 14717 1 20 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.856 0.288 25062 14718 1 20 . 1 1 70 70 ALA H H 70 8.200 8.200 7.683 0.517 25062 14719 1 20 . 1 1 71 71 GLU N N 71 116.210 116.210 120.588 -4.378 25062 14720 1 20 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.113 0.033 25062 14721 1 20 . 1 1 71 71 GLU C C 71 179.215 179.215 178.524 0.691 25062 14722 1 20 . 1 1 71 71 GLU CA C 71 59.433 59.433 58.959 0.474 25062 14723 1 20 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.237 0.347 25062 14724 1 20 . 1 1 71 71 GLU H H 71 8.402 8.402 8.073 0.329 25062 14725 1 20 . 1 1 72 72 TYR N N 72 121.372 121.372 120.534 0.838 25062 14726 1 20 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.094 0.108 25062 14727 1 20 . 1 1 72 72 TYR C C 72 176.699 176.699 177.299 -0.600 25062 14728 1 20 . 1 1 72 72 TYR CA C 72 61.306 61.306 62.005 -0.699 25062 14729 1 20 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.569 -0.330 25062 14730 1 20 . 1 1 72 72 TYR H H 72 8.031 8.031 7.907 0.124 25062 14731 1 20 . 1 1 73 73 ALA N N 73 119.994 119.994 119.637 0.357 25062 14732 1 20 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.959 -0.348 25062 14733 1 20 . 1 1 73 73 ALA C C 73 178.786 178.786 179.491 -0.705 25062 14734 1 20 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.080 0.091 25062 14735 1 20 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.079 0.422 25062 14736 1 20 . 1 1 73 73 ALA H H 73 8.588 8.588 8.102 0.486 25062 14737 1 20 . 1 1 74 74 GLN N N 74 116.775 116.775 118.028 -1.253 25062 14738 1 20 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.132 0.175 25062 14739 1 20 . 1 1 74 74 GLN C C 74 180.672 180.672 178.152 2.520 25062 14740 1 20 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.678 0.498 25062 14741 1 20 . 1 1 74 74 GLN CB C 74 29.197 29.197 29.113 0.084 25062 14742 1 20 . 1 1 74 74 GLN H H 74 8.382 8.382 8.214 0.168 25062 14743 1 20 . 1 1 75 75 LYS N N 75 122.969 122.969 118.109 4.860 25062 14744 1 20 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.117 -0.061 25062 14745 1 20 . 1 1 75 75 LYS C C 75 178.547 178.547 178.676 -0.129 25062 14746 1 20 . 1 1 75 75 LYS CA C 75 59.227 59.227 57.764 1.463 25062 14747 1 20 . 1 1 75 75 LYS CB C 75 31.763 31.763 31.956 -0.193 25062 14748 1 20 . 1 1 75 75 LYS H H 75 8.248 8.248 7.473 0.775 25062 14749 1 20 . 1 1 76 76 GLU N N 76 117.058 117.058 116.922 0.136 25062 14750 1 20 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.286 -0.191 25062 14751 1 20 . 1 1 76 76 GLU C C 76 176.070 176.070 176.934 -0.864 25062 14752 1 20 . 1 1 76 76 GLU CA C 76 55.858 55.858 56.295 -0.437 25062 14753 1 20 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.881 -0.083 25062 14754 1 20 . 1 1 76 76 GLU H H 76 7.522 7.522 7.682 -0.160 25062 14755 1 20 . 1 1 77 77 GLY N N 77 106.537 106.537 107.602 -1.065 25062 14756 1 20 . 1 1 77 77 GLY C C 77 174.570 174.570 173.449 1.121 25062 14757 1 20 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.594 -0.115 25062 14758 1 20 . 1 1 77 77 GLY H H 77 7.797 7.797 7.818 -0.021 25062 14759 1 20 . 1 1 78 78 LEU N N 78 121.257 121.257 118.253 3.004 25062 14760 1 20 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.663 -0.257 25062 14761 1 20 . 1 1 78 78 LEU C C 78 176.139 176.139 176.775 -0.636 25062 14762 1 20 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.194 1.110 25062 14763 1 20 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.524 -1.412 25062 14764 1 20 . 1 1 78 78 LEU H H 78 8.008 8.008 7.720 0.288 25062 14765 1 20 . 1 1 79 79 ARG N N 79 121.135 121.135 122.219 -1.084 25062 14766 1 20 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.286 0.118 25062 14767 1 20 . 1 1 79 79 ARG C C 79 174.598 174.598 175.258 -0.660 25062 14768 1 20 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.237 0.647 25062 14769 1 20 . 1 1 79 79 ARG CB C 79 31.367 31.367 29.668 1.699 25062 14770 1 20 . 1 1 79 79 ARG H H 79 8.062 8.062 8.338 -0.276 25062 14771 1 20 . 1 1 80 80 VAL N N 80 123.517 123.517 126.210 -2.693 25062 14772 1 20 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.669 0.096 25062 14773 1 20 . 1 1 80 80 VAL C C 80 175.373 175.373 174.918 0.455 25062 14774 1 20 . 1 1 80 80 VAL CA C 80 61.637 61.637 60.904 0.733 25062 14775 1 20 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.216 1.787 25062 14776 1 20 . 1 1 80 80 VAL H H 80 8.377 8.377 8.629 -0.252 25062 14777 1 20 . 1 1 81 81 ILE N N 81 129.083 129.083 129.795 -0.712 25062 14778 1 20 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.644 0.239 25062 14779 1 20 . 1 1 81 81 ILE C C 81 173.899 173.899 175.045 -1.146 25062 14780 1 20 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.487 0.239 25062 14781 1 20 . 1 1 81 81 ILE CB C 81 41.082 41.082 39.435 1.647 25062 14782 1 20 . 1 1 81 81 ILE H H 81 8.812 8.812 8.446 0.366 25062 14783 1 20 . 1 1 82 82 VAL N N 82 126.531 126.531 129.176 -2.645 25062 14784 1 20 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.578 0.409 25062 14785 1 20 . 1 1 82 82 VAL C C 82 174.164 174.164 175.111 -0.947 25062 14786 1 20 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.727 -1.403 25062 14787 1 20 . 1 1 82 82 VAL CB C 82 34.417 34.417 32.489 1.928 25062 14788 1 20 . 1 1 82 82 VAL H H 82 9.085 9.085 8.334 0.751 25062 14789 1 20 . 1 1 83 83 ILE N N 83 127.143 127.143 129.201 -2.058 25062 14790 1 20 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.766 0.138 25062 14791 1 20 . 1 1 83 83 ILE C C 83 174.044 174.044 175.501 -1.457 25062 14792 1 20 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.453 -0.437 25062 14793 1 20 . 1 1 83 83 ILE CB C 83 39.816 39.816 38.729 1.087 25062 14794 1 20 . 1 1 83 83 ILE H H 83 9.391 9.391 8.551 0.840 25062 14795 1 20 . 1 1 84 84 ILE N N 84 126.750 126.750 128.993 -2.243 25062 14796 1 20 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.511 -0.065 25062 14797 1 20 . 1 1 84 84 ILE C C 84 174.788 174.788 176.000 -1.212 25062 14798 1 20 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.808 0.244 25062 14799 1 20 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.309 1.723 25062 14800 1 20 . 1 1 84 84 ILE H H 84 8.714 8.714 8.733 -0.019 25062 14801 1 20 . 1 1 85 85 VAL N N 85 127.160 127.160 131.311 -4.151 25062 14802 1 20 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.716 0.263 25062 14803 1 20 . 1 1 85 85 VAL C C 85 176.539 176.539 175.060 1.479 25062 14804 1 20 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.947 -1.885 25062 14805 1 20 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.451 0.423 25062 14806 1 20 . 1 1 85 85 VAL H H 85 8.464 8.464 8.824 -0.360 25062 14807 1 20 . 1 1 86 86 SER N N 86 121.723 121.723 120.938 0.785 25062 14808 1 20 . 1 1 86 86 SER HA H 86 4.490 4.490 4.879 -0.389 25062 14809 1 20 . 1 1 86 86 SER C C 86 172.447 172.447 174.315 -1.868 25062 14810 1 20 . 1 1 86 86 SER CA C 86 58.131 58.131 57.575 0.556 25062 14811 1 20 . 1 1 86 86 SER CB C 86 64.121 64.121 66.818 -2.697 25062 14812 1 20 . 1 1 86 86 SER H H 86 8.725 8.725 8.750 -0.025 25062 14813 1 20 . 1 1 87 87 GLN N N 87 121.657 121.657 121.162 0.495 25062 14814 1 20 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.245 0.324 25062 14815 1 20 . 1 1 87 87 GLN C C 87 175.732 175.732 174.371 1.361 25062 14816 1 20 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.044 -0.618 25062 14817 1 20 . 1 1 87 87 GLN CB C 87 29.119 29.119 29.152 -0.033 25062 14818 1 20 . 1 1 87 87 GLN H H 87 8.516 8.516 8.789 -0.273 25062 14819 1 20 . 1 1 88 88 ASP N N 88 121.146 121.146 120.179 0.967 25062 14820 1 20 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.831 -0.131 25062 14821 1 20 . 1 1 88 88 ASP C C 88 175.752 175.752 176.067 -0.315 25062 14822 1 20 . 1 1 88 88 ASP CA C 88 53.079 53.079 53.780 -0.701 25062 14823 1 20 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.981 -0.778 25062 14824 1 20 . 1 1 88 88 ASP H H 88 8.459 8.459 7.871 0.588 25062 14825 1 20 . 1 1 89 89 GLU N N 89 125.736 125.736 123.985 1.751 25062 14826 1 20 . 1 1 89 89 GLU HA H 89 3.934 3.934 4.014 -0.080 25062 14827 1 20 . 1 1 89 89 GLU C C 89 178.820 178.820 178.381 0.439 25062 14828 1 20 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.460 0.084 25062 14829 1 20 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.376 0.251 25062 14830 1 20 . 1 1 89 89 GLU H H 89 8.840 8.840 9.017 -0.177 25062 14831 1 20 . 1 1 90 90 GLU N N 90 119.813 119.813 119.090 0.723 25062 14832 1 20 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.037 0.199 25062 14833 1 20 . 1 1 90 90 GLU C C 90 178.385 178.385 178.811 -0.426 25062 14834 1 20 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.181 -0.374 25062 14835 1 20 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.142 0.035 25062 14836 1 20 . 1 1 90 90 GLU H H 90 8.300 8.300 8.749 -0.449 25062 14837 1 20 . 1 1 91 91 ALA N N 91 123.211 123.211 122.371 0.840 25062 14838 1 20 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.241 -0.110 25062 14839 1 20 . 1 1 91 91 ALA C C 91 181.895 181.895 179.776 2.119 25062 14840 1 20 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.728 -0.028 25062 14841 1 20 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.079 -0.198 25062 14842 1 20 . 1 1 91 91 ALA H H 91 7.670 7.670 8.103 -0.433 25062 14843 1 20 . 1 1 92 92 LEU N N 92 118.903 118.903 119.061 -0.158 25062 14844 1 20 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.966 0.039 25062 14845 1 20 . 1 1 92 92 LEU C C 92 177.951 177.951 179.022 -1.071 25062 14846 1 20 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.757 0.193 25062 14847 1 20 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.623 0.559 25062 14848 1 20 . 1 1 92 92 LEU H H 92 8.190 8.190 8.150 0.040 25062 14849 1 20 . 1 1 93 93 ARG N N 93 118.916 118.916 119.132 -0.216 25062 14850 1 20 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.114 -0.016 25062 14851 1 20 . 1 1 93 93 ARG C C 93 178.775 178.775 178.501 0.274 25062 14852 1 20 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.572 -0.230 25062 14853 1 20 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.099 0.045 25062 14854 1 20 . 1 1 93 93 ARG H H 93 7.868 7.868 7.921 -0.053 25062 14855 1 20 . 1 1 94 94 LYS N N 94 118.989 118.989 118.461 0.528 25062 14856 1 20 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.103 -0.046 25062 14857 1 20 . 1 1 94 94 LYS C C 94 179.270 179.270 179.054 0.216 25062 14858 1 20 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.559 -0.324 25062 14859 1 20 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.262 0.172 25062 14860 1 20 . 1 1 94 94 LYS H H 94 8.236 8.236 8.126 0.110 25062 14861 1 20 . 1 1 95 95 GLY N N 95 107.084 107.084 106.181 0.903 25062 14862 1 20 . 1 1 95 95 GLY C C 95 175.285 175.285 175.782 -0.497 25062 14863 1 20 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.530 0.515 25062 14864 1 20 . 1 1 95 95 GLY H H 95 8.296 8.296 7.716 0.580 25062 14865 1 20 . 1 1 96 96 TYR N N 96 121.591 121.591 123.753 -2.162 25062 14866 1 20 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.147 -0.101 25062 14867 1 20 . 1 1 96 96 TYR C C 96 176.428 176.428 177.520 -1.092 25062 14868 1 20 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.292 0.152 25062 14869 1 20 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.658 -0.068 25062 14870 1 20 . 1 1 96 96 TYR H H 96 8.372 8.372 7.845 0.527 25062 14871 1 20 . 1 1 97 97 GLU N N 97 117.883 117.883 117.310 0.573 25062 14872 1 20 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.751 0.080 25062 14873 1 20 . 1 1 97 97 GLU C C 97 178.775 178.775 178.722 0.053 25062 14874 1 20 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.091 0.158 25062 14875 1 20 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.404 0.138 25062 14876 1 20 . 1 1 97 97 GLU H H 97 8.205 8.205 8.258 -0.053 25062 14877 1 20 . 1 1 98 98 ASP N N 98 117.644 117.644 120.186 -2.542 25062 14878 1 20 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.358 -0.013 25062 14879 1 20 . 1 1 98 98 ASP C C 98 177.978 177.978 178.370 -0.392 25062 14880 1 20 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.074 0.039 25062 14881 1 20 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.969 1.022 25062 14882 1 20 . 1 1 98 98 ASP H H 98 8.139 8.139 7.731 0.408 25062 14883 1 20 . 1 1 99 99 LYS N N 99 116.691 116.691 118.447 -1.756 25062 14884 1 20 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.090 -0.066 25062 14885 1 20 . 1 1 99 99 LYS C C 99 178.061 178.061 178.682 -0.621 25062 14886 1 20 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.324 -0.318 25062 14887 1 20 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.441 -0.065 25062 14888 1 20 . 1 1 99 99 LYS H H 99 7.886 7.886 7.589 0.297 25062 14889 1 20 . 1 1 100 100 LYS N N 100 120.645 120.645 120.380 0.265 25062 14890 1 20 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.118 -0.044 25062 14891 1 20 . 1 1 100 100 LYS C C 100 180.486 180.486 178.511 1.975 25062 14892 1 20 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.892 -0.709 25062 14893 1 20 . 1 1 100 100 LYS CB C 100 31.366 31.366 31.922 -0.555 25062 14894 1 20 . 1 1 100 100 LYS H H 100 8.395 8.395 7.705 0.690 25062 14895 1 20 . 1 1 101 101 LYS N N 101 119.297 119.297 118.798 0.499 25062 14896 1 20 . 1 1 101 101 LYS HA H 101 4.082 4.082 3.981 0.101 25062 14897 1 20 . 1 1 101 101 LYS C C 101 177.669 177.669 178.200 -0.531 25062 14898 1 20 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.576 -0.110 25062 14899 1 20 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.240 0.004 25062 14900 1 20 . 1 1 101 101 LYS H H 101 7.713 7.713 7.568 0.145 25062 14901 1 20 . 1 1 102 102 LYS N N 102 116.847 116.847 117.073 -0.226 25062 14902 1 20 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.019 0.074 25062 14903 1 20 . 1 1 102 102 LYS C C 102 176.357 176.357 176.570 -0.213 25062 14904 1 20 . 1 1 102 102 LYS CA C 102 55.789 55.789 56.450 -0.661 25062 14905 1 20 . 1 1 102 102 LYS CB C 102 32.003 32.003 31.551 0.452 25062 14906 1 20 . 1 1 102 102 LYS H H 102 7.124 7.124 7.450 -0.326 25062 14907 1 20 . 1 1 103 103 GLY N N 103 105.781 105.781 104.509 1.272 25062 14908 1 20 . 1 1 103 103 GLY C C 103 174.378 174.378 174.512 -0.134 25062 14909 1 20 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.649 0.405 25062 14910 1 20 . 1 1 103 103 GLY H H 103 7.771 7.771 7.018 0.753 25062 14911 1 20 . 1 1 104 104 TYR N N 104 119.257 119.257 120.140 -0.883 25062 14912 1 20 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.512 0.426 25062 14913 1 20 . 1 1 104 104 TYR C C 104 175.223 175.223 175.906 -0.683 25062 14914 1 20 . 1 1 104 104 TYR CA C 104 54.451 54.451 56.123 -1.672 25062 14915 1 20 . 1 1 104 104 TYR CB C 104 37.745 37.745 37.922 -0.177 25062 14916 1 20 . 1 1 104 104 TYR H H 104 6.914 6.914 7.504 -0.590 25062 14917 1 20 . 1 1 105 105 ASP N N 105 122.574 122.574 126.097 -3.523 25062 14918 1 20 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.528 0.253 25062 14919 1 20 . 1 1 105 105 ASP C C 105 174.818 174.818 175.236 -0.418 25062 14920 1 20 . 1 1 105 105 ASP CA C 105 54.215 54.215 55.265 -1.050 25062 14921 1 20 . 1 1 105 105 ASP CB C 105 41.801 41.801 40.515 1.286 25062 14922 1 20 . 1 1 105 105 ASP H H 105 8.223 8.223 8.461 -0.238 25062 14923 1 20 . 1 1 106 106 VAL N N 106 121.990 121.990 123.701 -1.711 25062 14924 1 20 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.675 0.582 25062 14925 1 20 . 1 1 106 106 VAL C C 106 173.835 173.835 175.597 -1.762 25062 14926 1 20 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.492 -1.450 25062 14927 1 20 . 1 1 106 106 VAL CB C 106 34.379 34.379 32.666 1.713 25062 14928 1 20 . 1 1 106 106 VAL H H 106 7.876 7.876 7.819 0.057 25062 14929 1 20 . 1 1 107 107 TYR N N 107 125.444 125.444 128.100 -2.656 25062 14930 1 20 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.868 0.139 25062 14931 1 20 . 1 1 107 107 TYR C C 107 174.765 174.765 175.278 -0.513 25062 14932 1 20 . 1 1 107 107 TYR CA C 107 56.065 56.065 57.026 -0.961 25062 14933 1 20 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.101 0.788 25062 14934 1 20 . 1 1 107 107 TYR H H 107 9.400 9.400 9.012 0.388 25062 14935 1 20 . 1 1 108 108 THR N N 108 111.100 111.100 114.953 -3.853 25062 14936 1 20 . 1 1 108 108 THR HA H 108 5.212 5.212 4.856 0.356 25062 14937 1 20 . 1 1 108 108 THR C C 108 174.350 174.350 173.834 0.516 25062 14938 1 20 . 1 1 108 108 THR CA C 108 59.514 59.514 60.602 -1.088 25062 14939 1 20 . 1 1 108 108 THR CB C 108 70.911 70.911 70.215 0.696 25062 14940 1 20 . 1 1 108 108 THR H H 108 8.801 8.801 8.521 0.280 25062 14941 1 20 . 1 1 109 109 SER N N 109 114.650 114.650 120.868 -6.218 25062 14942 1 20 . 1 1 109 109 SER HA H 109 4.901 4.901 4.854 0.047 25062 14943 1 20 . 1 1 109 109 SER C C 109 172.399 172.399 174.191 -1.792 25062 14944 1 20 . 1 1 109 109 SER CA C 109 57.974 57.974 56.749 1.225 25062 14945 1 20 . 1 1 109 109 SER CB C 109 67.764 67.764 66.778 0.986 25062 14946 1 20 . 1 1 109 109 SER H H 109 8.565 8.565 8.880 -0.315 25062 14947 1 20 . 1 1 110 110 ARG N N 110 119.807 119.807 122.477 -2.670 25062 14948 1 20 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.500 0.509 25062 14949 1 20 . 1 1 110 110 ARG C C 110 175.995 175.995 175.148 0.847 25062 14950 1 20 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.805 -1.796 25062 14951 1 20 . 1 1 110 110 ARG CB C 110 31.817 31.817 30.864 0.953 25062 14952 1 20 . 1 1 110 110 ARG H H 110 8.948 8.948 8.718 0.230 25062 14953 1 20 . 1 1 111 111 ASN N N 111 110.690 110.690 111.531 -0.841 25062 14954 1 20 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.735 -0.102 25062 14955 1 20 . 1 1 111 111 ASN C C 111 174.460 174.460 175.107 -0.647 25062 14956 1 20 . 1 1 111 111 ASN CA C 111 51.370 51.370 51.796 -0.426 25062 14957 1 20 . 1 1 111 111 ASN CB C 111 40.117 40.117 40.166 -0.049 25062 14958 1 20 . 1 1 111 111 ASN H H 111 7.426 7.426 7.326 0.100 25062 14959 1 20 . 1 1 112 112 GLU N N 112 119.451 119.451 120.262 -0.811 25062 14960 1 20 . 1 1 112 112 GLU HA H 112 3.808 3.808 4.004 -0.196 25062 14961 1 20 . 1 1 112 112 GLU C C 112 176.445 176.445 177.555 -1.110 25062 14962 1 20 . 1 1 112 112 GLU CA C 112 60.193 60.193 60.108 0.084 25062 14963 1 20 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.346 1.260 25062 14964 1 20 . 1 1 112 112 GLU H H 112 9.529 9.529 8.947 0.582 25062 14965 1 20 . 1 1 113 113 ASP N N 113 120.739 120.739 118.063 2.676 25062 14966 1 20 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.338 0.031 25062 14967 1 20 . 1 1 113 113 ASP C C 113 179.043 179.043 178.647 0.396 25062 14968 1 20 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.697 0.408 25062 14969 1 20 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.215 0.732 25062 14970 1 20 . 1 1 113 113 ASP H H 113 8.256 8.256 8.639 -0.383 25062 14971 1 20 . 1 1 114 114 GLU N N 114 119.817 119.817 119.362 0.455 25062 14972 1 20 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.101 -0.051 25062 14973 1 20 . 1 1 114 114 GLU C C 114 178.770 178.770 178.206 0.564 25062 14974 1 20 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.729 0.511 25062 14975 1 20 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.400 1.256 25062 14976 1 20 . 1 1 114 114 GLU H H 114 8.577 8.577 7.736 0.841 25062 14977 1 20 . 1 1 115 115 ALA N N 115 121.470 121.470 121.918 -0.448 25062 14978 1 20 . 1 1 115 115 ALA HA H 115 4.055 4.055 3.970 0.085 25062 14979 1 20 . 1 1 115 115 ALA C C 115 178.962 178.962 179.216 -0.254 25062 14980 1 20 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.302 -0.089 25062 14981 1 20 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.204 1.653 25062 14982 1 20 . 1 1 115 115 ALA H H 115 8.358 8.358 7.914 0.444 25062 14983 1 20 . 1 1 116 116 LYS N N 116 117.285 117.285 117.937 -0.652 25062 14984 1 20 . 1 1 116 116 LYS HA H 116 3.658 3.658 3.892 -0.234 25062 14985 1 20 . 1 1 116 116 LYS C C 116 178.583 178.583 178.485 0.098 25062 14986 1 20 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.762 1.155 25062 14987 1 20 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.204 0.607 25062 14988 1 20 . 1 1 116 116 LYS H H 116 8.350 8.350 8.100 0.250 25062 14989 1 20 . 1 1 117 117 LYS N N 117 118.433 118.433 118.824 -0.391 25062 14990 1 20 . 1 1 117 117 LYS HA H 117 3.986 3.986 3.856 0.130 25062 14991 1 20 . 1 1 117 117 LYS C C 117 179.380 179.380 179.024 0.356 25062 14992 1 20 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.357 0.248 25062 14993 1 20 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.097 0.285 25062 14994 1 20 . 1 1 117 117 LYS H H 117 7.345 7.345 7.478 -0.133 25062 14995 1 20 . 1 1 118 118 LYS N N 118 118.166 118.166 118.619 -0.453 25062 14996 1 20 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.527 0.412 25062 14997 1 20 . 1 1 118 118 LYS C C 118 178.088 178.088 179.049 -0.961 25062 14998 1 20 . 1 1 118 118 LYS CA C 118 57.556 57.556 57.965 -0.409 25062 14999 1 20 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.550 -0.410 25062 15000 1 20 . 1 1 118 118 LYS H H 118 8.130 8.130 7.306 0.824 25062 15001 1 20 . 1 1 119 119 LEU N N 119 120.654 120.654 120.194 0.460 25062 15002 1 20 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.852 -0.068 25062 15003 1 20 . 1 1 119 119 LEU C C 119 177.567 177.567 178.729 -1.162 25062 15004 1 20 . 1 1 119 119 LEU CA C 119 57.914 57.914 58.144 -0.230 25062 15005 1 20 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.623 0.551 25062 15006 1 20 . 1 1 119 119 LEU H H 119 8.592 8.592 8.159 0.433 25062 15007 1 20 . 1 1 120 120 LYS N N 120 118.314 118.314 118.209 0.105 25062 15008 1 20 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.605 -0.060 25062 15009 1 20 . 1 1 120 120 LYS C C 120 178.624 178.624 179.392 -0.768 25062 15010 1 20 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.176 1.114 25062 15011 1 20 . 1 1 120 120 LYS CB C 120 31.764 31.764 31.765 -0.001 25062 15012 1 20 . 1 1 120 120 LYS H H 120 7.753 7.753 7.397 0.356 25062 15013 1 20 . 1 1 121 121 GLU N N 121 118.446 118.446 119.736 -1.290 25062 15014 1 20 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.188 -0.182 25062 15015 1 20 . 1 1 121 121 GLU C C 121 178.744 178.744 178.851 -0.107 25062 15016 1 20 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.214 0.325 25062 15017 1 20 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.500 -0.137 25062 15018 1 20 . 1 1 121 121 GLU H H 121 7.777 7.777 7.929 -0.152 25062 15019 1 20 . 1 1 122 122 ALA N N 122 121.333 121.333 121.973 -0.640 25062 15020 1 20 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.234 -0.278 25062 15021 1 20 . 1 1 122 122 ALA C C 122 179.973 179.973 179.509 0.464 25062 15022 1 20 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.864 0.096 25062 15023 1 20 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.645 -0.217 25062 15024 1 20 . 1 1 122 122 ALA H H 122 8.229 8.229 7.655 0.574 25062 15025 1 20 . 1 1 123 123 LEU N N 123 118.790 118.790 118.267 0.523 25062 15026 1 20 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.161 -0.381 25062 15027 1 20 . 1 1 123 123 LEU C C 123 179.703 179.703 179.391 0.312 25062 15028 1 20 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.156 0.733 25062 15029 1 20 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.779 -0.926 25062 15030 1 20 . 1 1 123 123 LEU H H 123 8.177 8.177 8.169 0.008 25062 15031 1 20 . 1 1 124 124 GLU N N 124 120.881 120.881 120.226 0.655 25062 15032 1 20 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.378 -0.234 25062 15033 1 20 . 1 1 124 124 GLU C C 124 179.732 179.732 179.624 0.108 25062 15034 1 20 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.070 0.369 25062 15035 1 20 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.595 -0.075 25062 15036 1 20 . 1 1 124 124 GLU H H 124 8.393 8.393 7.979 0.414 25062 15037 1 20 . 1 1 125 125 LYS N N 125 119.526 119.526 119.757 -0.231 25062 15038 1 20 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.213 0.046 25062 15039 1 20 . 1 1 125 125 LYS C C 125 177.862 177.862 178.296 -0.434 25062 15040 1 20 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.348 -0.403 25062 15041 1 20 . 1 1 125 125 LYS CB C 125 32.357 32.357 31.980 0.377 25062 15042 1 20 . 1 1 125 125 LYS H H 125 8.290 8.290 8.058 0.232 25062 15043 1 20 . 1 1 126 126 SER N N 126 114.103 114.103 112.270 1.833 25062 15044 1 20 . 1 1 126 126 SER HA H 126 4.385 4.385 4.430 -0.045 25062 15045 1 20 . 1 1 126 126 SER C C 126 174.460 174.460 175.341 -0.881 25062 15046 1 20 . 1 1 126 126 SER CA C 126 59.611 59.611 58.697 0.914 25062 15047 1 20 . 1 1 126 126 SER CB C 126 63.479 63.479 63.508 -0.029 25062 15048 1 20 . 1 1 126 126 SER H H 126 7.702 7.702 7.801 -0.099 25062 15049 1 20 . 1 1 127 127 GLY N N 127 108.584 108.584 109.291 -0.707 25062 15050 1 20 . 1 1 127 127 GLY C C 127 174.103 174.103 175.622 -1.519 25062 15051 1 20 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.873 -0.436 25062 15052 1 20 . 1 1 127 127 GLY H H 127 7.933 7.933 7.800 0.133 25062 15053 1 20 . 1 1 128 128 SER N N 128 115.990 115.990 116.668 -0.678 25062 15054 1 20 . 1 1 128 128 SER HA H 128 4.590 4.590 4.267 0.323 25062 15055 1 20 . 1 1 128 128 SER C C 128 174.412 174.412 174.805 -0.393 25062 15056 1 20 . 1 1 128 128 SER CA C 128 57.986 57.986 61.258 -3.272 25062 15057 1 20 . 1 1 128 128 SER CB C 128 63.336 63.336 63.848 -0.512 25062 15058 1 20 . 1 1 128 128 SER H H 128 8.091 8.091 7.685 0.406 25062 15059 1 20 . 1 1 129 129 LEU N N 129 125.492 125.492 119.338 6.154 25062 15060 1 20 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.616 -0.175 25062 15061 1 20 . 1 1 129 129 LEU C C 129 177.084 177.084 175.227 1.857 25062 15062 1 20 . 1 1 129 129 LEU CA C 129 54.876 54.876 53.438 1.438 25062 15063 1 20 . 1 1 129 129 LEU CB C 129 42.309 42.309 44.319 -2.010 25062 15064 1 20 . 1 1 129 129 LEU H H 129 8.262 8.262 7.665 0.597 25062 15065 1 20 . 1 1 130 130 GLU N N 130 121.006 121.006 118.353 2.653 25062 15066 1 20 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.532 -0.557 25062 15067 1 20 . 1 1 130 130 GLU C C 130 176.435 176.435 175.533 0.902 25062 15068 1 20 . 1 1 130 130 GLU CA C 130 56.812 56.812 55.998 0.814 25062 15069 1 20 . 1 1 130 130 GLU CB C 130 30.279 30.279 31.334 -1.055 25062 15070 1 20 . 1 1 130 130 GLU H H 130 8.398 8.398 8.523 -0.125 25062 15071 1 20 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.463 0.128 25062 15072 1 20 . 1 1 131 131 HIS C C 131 174.179 174.179 174.385 -0.206 25062 15073 1 20 . 1 1 131 131 HIS CA C 131 56.149 56.149 57.160 -1.011 25062 15074 1 20 . 1 1 131 131 HIS CB C 131 30.831 30.831 27.370 3.461 25062 15075 1 20 . 1 1 132 132 HIS N N 132 125.794 125.794 122.315 3.479 25062 15076 1 20 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.403 0.013 25062 15077 1 20 . 1 1 132 132 HIS C C 132 179.523 179.523 175.341 4.182 25062 15078 1 20 . 1 1 132 132 HIS CA C 132 57.516 57.516 58.042 -0.526 25062 15079 1 20 . 1 1 132 132 HIS CB C 132 31.008 31.008 30.990 0.018 25062 15080 1 20 . 1 1 132 132 HIS H H 132 7.935 7.935 8.621 -0.686 25062 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 124 1.917 0.458 1.869 25062 2 1 1 "Average Difference" HA 140 0.240 -0.045 0.236 25062 3 1 1 "Average Difference" C 131 0.920 0.152 0.911 25062 4 1 1 "Average Difference" CA 131 0.727 -0.022 0.730 25062 5 1 1 "Average Difference" CB 122 0.877 -0.156 0.866 25062 6 1 1 "Average Difference" HN 124 0.408 -0.150 0.381 25062 7 1 2 "Average Difference" N 124 2.170 0.264 2.163 25062 8 1 2 "Average Difference" HA 140 0.239 -0.035 0.238 25062 9 1 2 "Average Difference" C 131 0.984 0.190 0.969 25062 10 1 2 "Average Difference" CA 131 0.828 0.018 0.831 25062 11 1 2 "Average Difference" CB 122 0.893 -0.227 0.868 25062 12 1 2 "Average Difference" HN 124 0.408 -0.158 0.378 25062 13 1 3 "Average Difference" N 124 1.913 0.504 1.853 25062 14 1 3 "Average Difference" HA 140 0.224 -0.014 0.224 25062 15 1 3 "Average Difference" C 131 0.952 0.118 0.948 25062 16 1 3 "Average Difference" CA 131 0.759 -0.064 0.760 25062 17 1 3 "Average Difference" CB 122 0.870 -0.176 0.856 25062 18 1 3 "Average Difference" HN 124 0.391 -0.123 0.372 25062 19 1 4 "Average Difference" N 124 1.852 0.133 1.855 25062 20 1 4 "Average Difference" HA 140 0.225 -0.020 0.225 25062 21 1 4 "Average Difference" C 131 0.897 0.127 0.892 25062 22 1 4 "Average Difference" CA 131 0.732 -0.051 0.733 25062 23 1 4 "Average Difference" CB 122 0.798 -0.147 0.787 25062 24 1 4 "Average Difference" HN 124 0.406 -0.151 0.378 25062 25 1 5 "Average Difference" N 124 1.922 0.404 1.887 25062 26 1 5 "Average Difference" HA 140 0.221 -0.035 0.219 25062 27 1 5 "Average Difference" C 131 0.877 0.131 0.870 25062 28 1 5 "Average Difference" CA 131 0.710 -0.010 0.713 25062 29 1 5 "Average Difference" CB 122 0.808 -0.130 0.801 25062 30 1 5 "Average Difference" HN 124 0.400 -0.163 0.367 25062 31 1 6 "Average Difference" N 124 1.935 0.417 1.897 25062 32 1 6 "Average Difference" HA 140 0.230 -0.029 0.229 25062 33 1 6 "Average Difference" C 131 0.988 0.133 0.983 25062 34 1 6 "Average Difference" CA 131 0.751 -0.016 0.753 25062 35 1 6 "Average Difference" CB 122 0.862 -0.129 0.856 25062 36 1 6 "Average Difference" HN 124 0.383 -0.136 0.359 25062 37 1 7 "Average Difference" N 124 1.837 0.287 1.822 25062 38 1 7 "Average Difference" HA 140 0.229 -0.039 0.226 25062 39 1 7 "Average Difference" C 131 1.004 0.127 0.999 25062 40 1 7 "Average Difference" CA 131 0.799 -0.014 0.802 25062 41 1 7 "Average Difference" CB 122 0.854 -0.160 0.842 25062 42 1 7 "Average Difference" HN 124 0.420 -0.152 0.393 25062 43 1 8 "Average Difference" N 124 1.900 0.310 1.882 25062 44 1 8 "Average Difference" HA 140 0.223 -0.046 0.219 25062 45 1 8 "Average Difference" C 131 0.932 0.166 0.921 25062 46 1 8 "Average Difference" CA 131 0.728 0.020 0.731 25062 47 1 8 "Average Difference" CB 122 0.827 -0.231 0.797 25062 48 1 8 "Average Difference" HN 124 0.380 -0.123 0.361 25062 49 1 9 "Average Difference" N 124 1.961 0.167 1.962 25062 50 1 9 "Average Difference" HA 140 0.211 -0.032 0.209 25062 51 1 9 "Average Difference" C 131 1.007 0.118 1.004 25062 52 1 9 "Average Difference" CA 131 0.752 0.003 0.755 25062 53 1 9 "Average Difference" CB 122 0.788 -0.153 0.776 25062 54 1 9 "Average Difference" HN 124 0.425 -0.154 0.398 25062 55 1 10 "Average Difference" N 124 1.794 0.332 1.771 25062 56 1 10 "Average Difference" HA 140 0.216 -0.018 0.216 25062 57 1 10 "Average Difference" C 131 0.968 0.131 0.963 25062 58 1 10 "Average Difference" CA 131 0.833 -0.053 0.835 25062 59 1 10 "Average Difference" CB 122 0.759 -0.128 0.751 25062 60 1 10 "Average Difference" HN 124 0.396 -0.121 0.379 25062 61 1 11 "Average Difference" N 124 1.945 0.258 1.935 25062 62 1 11 "Average Difference" HA 140 0.233 -0.050 0.229 25062 63 1 11 "Average Difference" C 131 0.909 0.164 0.897 25062 64 1 11 "Average Difference" CA 131 0.775 -0.015 0.778 25062 65 1 11 "Average Difference" CB 122 0.884 -0.144 0.876 25062 66 1 11 "Average Difference" HN 124 0.438 -0.183 0.400 25062 67 1 12 "Average Difference" N 124 1.993 0.215 1.989 25062 68 1 12 "Average Difference" HA 140 0.214 -0.027 0.214 25062 69 1 12 "Average Difference" C 131 0.953 0.153 0.945 25062 70 1 12 "Average Difference" CA 131 0.709 -0.006 0.712 25062 71 1 12 "Average Difference" CB 122 0.775 -0.150 0.763 25062 72 1 12 "Average Difference" HN 124 0.396 -0.125 0.378 25062 73 1 13 "Average Difference" N 124 1.987 0.178 1.987 25062 74 1 13 "Average Difference" HA 140 0.222 -0.007 0.223 25062 75 1 13 "Average Difference" C 131 0.937 0.181 0.923 25062 76 1 13 "Average Difference" CA 131 0.740 -0.052 0.741 25062 77 1 13 "Average Difference" CB 122 0.770 -0.113 0.765 25062 78 1 13 "Average Difference" HN 124 0.395 -0.121 0.377 25062 79 1 14 "Average Difference" N 124 1.752 0.353 1.723 25062 80 1 14 "Average Difference" HA 140 0.223 -0.013 0.223 25062 81 1 14 "Average Difference" C 131 0.954 0.102 0.953 25062 82 1 14 "Average Difference" CA 131 0.763 -0.132 0.754 25062 83 1 14 "Average Difference" CB 122 0.790 -0.124 0.783 25062 84 1 14 "Average Difference" HN 124 0.425 -0.146 0.401 25062 85 1 15 "Average Difference" N 124 2.061 0.254 2.053 25062 86 1 15 "Average Difference" HA 140 0.224 -0.020 0.223 25062 87 1 15 "Average Difference" C 131 1.001 0.151 0.993 25062 88 1 15 "Average Difference" CA 131 0.793 -0.058 0.794 25062 89 1 15 "Average Difference" CB 122 0.859 -0.136 0.851 25062 90 1 15 "Average Difference" HN 124 0.420 -0.181 0.381 25062 91 1 16 "Average Difference" N 124 1.924 0.200 1.921 25062 92 1 16 "Average Difference" HA 140 0.222 -0.034 0.220 25062 93 1 16 "Average Difference" C 131 0.925 0.147 0.916 25062 94 1 16 "Average Difference" CA 131 0.707 0.007 0.710 25062 95 1 16 "Average Difference" CB 122 0.884 -0.147 0.875 25062 96 1 16 "Average Difference" HN 124 0.401 -0.130 0.381 25062 97 1 17 "Average Difference" N 124 2.122 0.202 2.121 25062 98 1 17 "Average Difference" HA 140 0.218 -0.019 0.218 25062 99 1 17 "Average Difference" C 131 0.969 0.170 0.958 25062 100 1 17 "Average Difference" CA 131 0.829 -0.004 0.833 25062 101 1 17 "Average Difference" CB 122 0.839 -0.147 0.830 25062 102 1 17 "Average Difference" HN 124 0.389 -0.147 0.362 25062 103 1 18 "Average Difference" N 124 2.009 0.421 1.973 25062 104 1 18 "Average Difference" HA 140 0.223 -0.043 0.219 25062 105 1 18 "Average Difference" C 131 0.960 0.201 0.943 25062 106 1 18 "Average Difference" CA 131 0.741 -0.000 0.744 25062 107 1 18 "Average Difference" CB 122 0.872 -0.235 0.843 25062 108 1 18 "Average Difference" HN 124 0.434 -0.165 0.402 25062 109 1 19 "Average Difference" N 124 1.971 0.220 1.967 25062 110 1 19 "Average Difference" HA 140 0.219 -0.024 0.219 25062 111 1 19 "Average Difference" C 131 0.923 0.199 0.905 25062 112 1 19 "Average Difference" CA 131 0.747 -0.013 0.749 25062 113 1 19 "Average Difference" CB 122 0.858 -0.228 0.831 25062 114 1 19 "Average Difference" HN 124 0.422 -0.171 0.387 25062 115 1 20 "Average Difference" N 124 2.018 0.328 1.999 25062 116 1 20 "Average Difference" HA 140 0.242 -0.052 0.238 25062 117 1 20 "Average Difference" C 131 0.983 0.177 0.971 25062 118 1 20 "Average Difference" CA 131 0.805 0.038 0.807 25062 119 1 20 "Average Difference" CB 122 0.887 -0.211 0.865 25062 120 1 20 "Average Difference" HN 124 0.395 -0.147 0.368 25062 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 25062 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 109.342 109.342 108.243 1.099 25062 2 1 . 1 1 2 2 GLY C C 2 172.736 172.736 172.089 0.647 25062 3 1 . 1 1 2 2 GLY CA C 2 45.656 45.656 45.206 0.450 25062 4 1 . 1 1 2 2 GLY H H 2 8.632 8.632 8.185 0.447 25062 5 1 . 1 1 3 3 VAL N N 3 123.457 123.457 121.046 2.411 25062 6 1 . 1 1 3 3 VAL HA H 3 4.981 4.981 4.607 0.374 25062 7 1 . 1 1 3 3 VAL C C 3 173.780 173.780 174.643 -0.863 25062 8 1 . 1 1 3 3 VAL CA C 3 60.350 60.350 61.501 -1.151 25062 9 1 . 1 1 3 3 VAL CB C 3 36.113 36.113 35.830 0.283 25062 10 1 . 1 1 3 3 VAL H H 3 7.516 7.516 7.890 -0.374 25062 11 1 . 1 1 4 4 VAL N N 4 125.375 125.375 126.782 -1.407 25062 12 1 . 1 1 4 4 VAL HA H 4 4.531 4.531 4.623 -0.092 25062 13 1 . 1 1 4 4 VAL C C 4 173.185 173.185 175.034 -1.849 25062 14 1 . 1 1 4 4 VAL CA C 4 60.501 60.501 61.169 -0.668 25062 15 1 . 1 1 4 4 VAL CB C 4 33.795 33.795 32.992 0.803 25062 16 1 . 1 1 4 4 VAL H H 4 8.810 8.810 8.685 0.125 25062 17 1 . 1 1 5 5 ILE N N 5 127.180 127.180 128.879 -1.699 25062 18 1 . 1 1 5 5 ILE HA H 5 4.869 4.869 4.612 0.257 25062 19 1 . 1 1 5 5 ILE C C 5 174.303 174.303 174.984 -0.681 25062 20 1 . 1 1 5 5 ILE CA C 5 59.410 59.410 60.166 -0.756 25062 21 1 . 1 1 5 5 ILE CB C 5 38.643 38.643 38.345 0.298 25062 22 1 . 1 1 5 5 ILE H H 5 8.800 8.800 8.931 -0.131 25062 23 1 . 1 1 6 6 LEU N N 6 129.025 129.025 129.493 -0.468 25062 24 1 . 1 1 6 6 LEU HA H 6 5.013 5.013 4.825 0.188 25062 25 1 . 1 1 6 6 LEU C C 6 174.847 174.847 176.197 -1.350 25062 26 1 . 1 1 6 6 LEU CA C 6 53.468 53.468 53.793 -0.325 25062 27 1 . 1 1 6 6 LEU CB C 6 44.293 44.293 42.077 2.216 25062 28 1 . 1 1 6 6 LEU H H 6 9.424 9.424 8.909 0.515 25062 29 1 . 1 1 7 7 VAL N N 7 123.364 123.364 126.371 -3.007 25062 30 1 . 1 1 7 7 VAL HA H 7 4.657 4.657 4.485 0.172 25062 31 1 . 1 1 7 7 VAL C C 7 174.210 174.210 175.351 -1.141 25062 32 1 . 1 1 7 7 VAL CA C 7 60.827 60.827 61.391 -0.564 25062 33 1 . 1 1 7 7 VAL CB C 7 32.253 32.253 31.773 0.480 25062 34 1 . 1 1 7 7 VAL H H 7 8.653 8.653 8.705 -0.052 25062 35 1 . 1 1 8 8 LEU N N 8 130.560 130.560 131.354 -0.794 25062 36 1 . 1 1 8 8 LEU HA H 8 5.296 5.296 4.988 0.308 25062 37 1 . 1 1 8 8 LEU C C 8 175.744 175.744 176.739 -0.995 25062 38 1 . 1 1 8 8 LEU CA C 8 53.886 53.886 54.202 -0.316 25062 39 1 . 1 1 8 8 LEU CB C 8 42.496 42.496 41.431 1.065 25062 40 1 . 1 1 8 8 LEU H H 8 9.069 9.069 8.667 0.402 25062 41 1 . 1 1 9 9 THR N N 9 112.810 112.810 114.547 -1.737 25062 42 1 . 1 1 9 9 THR HA H 9 4.959 4.959 5.060 -0.101 25062 43 1 . 1 1 9 9 THR C C 9 174.213 174.213 176.019 -1.806 25062 44 1 . 1 1 9 9 THR CA C 9 59.948 59.948 59.592 0.356 25062 45 1 . 1 1 9 9 THR CB C 9 70.756 70.756 71.179 -0.424 25062 46 1 . 1 1 9 9 THR H H 9 8.028 8.028 8.613 -0.585 25062 47 1 . 1 1 10 10 GLY N N 10 107.740 107.740 110.692 -2.952 25062 48 1 . 1 1 10 10 GLY C C 10 173.064 173.064 173.573 -0.509 25062 49 1 . 1 1 10 10 GLY CA C 10 45.430 45.430 45.801 -0.371 25062 50 1 . 1 1 10 10 GLY H H 10 7.827 7.827 8.710 -0.883 25062 51 1 . 1 1 11 11 ASP N N 11 119.119 119.119 118.521 0.598 25062 52 1 . 1 1 11 11 ASP HA H 11 4.853 4.853 4.742 0.111 25062 53 1 . 1 1 11 11 ASP C C 11 176.118 176.118 175.718 0.400 25062 54 1 . 1 1 11 11 ASP CA C 11 52.972 52.972 53.018 -0.046 25062 55 1 . 1 1 11 11 ASP CB C 11 43.241 43.241 43.036 0.205 25062 56 1 . 1 1 11 11 ASP H H 11 7.642 7.642 7.565 0.077 25062 57 1 . 1 1 12 12 GLU HA H 12 4.100 4.100 4.005 0.095 25062 58 1 . 1 1 12 12 GLU C C 12 178.508 178.508 177.912 0.596 25062 59 1 . 1 1 12 12 GLU CA C 12 58.464 58.464 59.072 -0.608 25062 60 1 . 1 1 12 12 GLU CB C 12 29.333 29.333 29.939 -0.606 25062 61 1 . 1 1 13 13 ARG N N 13 121.589 121.589 118.854 2.735 25062 62 1 . 1 1 13 13 ARG HA H 13 4.137 4.137 4.089 0.048 25062 63 1 . 1 1 13 13 ARG C C 13 179.625 179.625 178.505 1.120 25062 64 1 . 1 1 13 13 ARG CA C 13 59.418 59.418 58.632 0.786 25062 65 1 . 1 1 13 13 ARG CB C 13 29.355 29.355 29.726 -0.371 25062 66 1 . 1 1 13 13 ARG H H 13 8.593 8.593 8.002 0.591 25062 67 1 . 1 1 14 14 ILE N N 14 119.911 119.911 119.510 0.401 25062 68 1 . 1 1 14 14 ILE HA H 14 3.650 3.650 3.812 -0.162 25062 69 1 . 1 1 14 14 ILE C C 14 177.727 177.727 177.553 0.174 25062 70 1 . 1 1 14 14 ILE CA C 14 65.158 65.158 64.674 0.484 25062 71 1 . 1 1 14 14 ILE CB C 14 37.339 37.339 37.596 -0.257 25062 72 1 . 1 1 14 14 ILE H H 14 7.823 7.823 7.718 0.105 25062 73 1 . 1 1 15 15 ALA N N 15 121.015 121.015 121.164 -0.149 25062 74 1 . 1 1 15 15 ALA HA H 15 3.719 3.719 3.784 -0.065 25062 75 1 . 1 1 15 15 ALA C C 15 178.994 178.994 179.212 -0.218 25062 76 1 . 1 1 15 15 ALA CA C 15 55.890 55.890 55.091 0.799 25062 77 1 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.774 0.077 25062 78 1 . 1 1 15 15 ALA H H 15 7.610 7.610 7.620 -0.010 25062 79 1 . 1 1 16 16 GLU N N 16 117.655 117.655 118.281 -0.626 25062 80 1 . 1 1 16 16 GLU HA H 16 4.134 4.134 3.823 0.311 25062 81 1 . 1 1 16 16 GLU C C 16 178.517 178.517 178.805 -0.288 25062 82 1 . 1 1 16 16 GLU CA C 16 58.279 58.279 59.078 -0.800 25062 83 1 . 1 1 16 16 GLU CB C 16 29.222 29.222 29.387 -0.165 25062 84 1 . 1 1 16 16 GLU H H 16 7.808 7.808 7.704 0.104 25062 85 1 . 1 1 17 17 GLU N N 17 119.648 119.648 119.193 0.455 25062 86 1 . 1 1 17 17 GLU HA H 17 4.054 4.054 4.084 -0.030 25062 87 1 . 1 1 17 17 GLU C C 17 180.213 180.213 179.297 0.916 25062 88 1 . 1 1 17 17 GLU CA C 17 59.234 59.234 58.675 0.559 25062 89 1 . 1 1 17 17 GLU CB C 17 29.152 29.152 29.356 -0.204 25062 90 1 . 1 1 17 17 GLU H H 17 8.002 8.002 7.748 0.254 25062 91 1 . 1 1 18 18 LEU N N 18 119.118 119.118 119.594 -0.476 25062 92 1 . 1 1 18 18 LEU HA H 18 4.100 4.100 4.112 -0.012 25062 93 1 . 1 1 18 18 LEU C C 18 178.233 178.233 178.769 -0.536 25062 94 1 . 1 1 18 18 LEU CA C 18 57.806 57.806 57.498 0.308 25062 95 1 . 1 1 18 18 LEU CB C 18 40.871 40.871 41.694 -0.823 25062 96 1 . 1 1 18 18 LEU H H 18 8.554 8.554 8.092 0.462 25062 97 1 . 1 1 19 19 ARG N N 19 122.158 122.158 119.972 2.186 25062 98 1 . 1 1 19 19 ARG HA H 19 3.815 3.815 4.130 -0.315 25062 99 1 . 1 1 19 19 ARG C C 19 178.686 178.686 178.345 0.341 25062 100 1 . 1 1 19 19 ARG CA C 19 60.916 60.916 59.770 1.146 25062 101 1 . 1 1 19 19 ARG CB C 19 29.339 29.339 29.868 -0.529 25062 102 1 . 1 1 19 19 ARG H H 19 8.274 8.274 7.637 0.637 25062 103 1 . 1 1 20 20 LYS N N 20 118.130 118.130 117.772 0.358 25062 104 1 . 1 1 20 20 LYS HA H 20 3.935 3.935 4.064 -0.129 25062 105 1 . 1 1 20 20 LYS C C 20 179.078 179.078 178.918 0.160 25062 106 1 . 1 1 20 20 LYS CA C 20 59.753 59.753 59.544 0.209 25062 107 1 . 1 1 20 20 LYS CB C 20 32.440 32.440 31.979 0.460 25062 108 1 . 1 1 20 20 LYS H H 20 7.977 7.977 7.788 0.189 25062 109 1 . 1 1 21 21 GLU N N 21 120.451 120.451 119.532 0.919 25062 110 1 . 1 1 21 21 GLU HA H 21 4.055 4.055 4.164 -0.109 25062 111 1 . 1 1 21 21 GLU C C 21 178.995 178.995 179.029 -0.034 25062 112 1 . 1 1 21 21 GLU CA C 21 59.103 59.103 58.927 0.176 25062 113 1 . 1 1 21 21 GLU CB C 21 29.163 29.163 29.180 -0.017 25062 114 1 . 1 1 21 21 GLU H H 21 7.813 7.813 7.636 0.177 25062 115 1 . 1 1 22 22 VAL N N 22 119.654 119.654 120.118 -0.464 25062 116 1 . 1 1 22 22 VAL HA H 22 3.440 3.440 3.645 -0.205 25062 117 1 . 1 1 22 22 VAL C C 22 176.428 176.428 178.161 -1.733 25062 118 1 . 1 1 22 22 VAL CA C 22 67.121 67.121 66.997 0.124 25062 119 1 . 1 1 22 22 VAL CB C 22 31.452 31.452 31.446 0.006 25062 120 1 . 1 1 22 22 VAL H H 22 8.146 8.146 7.992 0.154 25062 121 1 . 1 1 23 23 GLN N N 23 116.884 116.884 117.677 -0.793 25062 122 1 . 1 1 23 23 GLN HA H 23 3.952 3.952 4.201 -0.249 25062 123 1 . 1 1 23 23 GLN C C 23 177.429 177.429 177.905 -0.476 25062 124 1 . 1 1 23 23 GLN CA C 23 58.767 58.767 58.264 0.502 25062 125 1 . 1 1 23 23 GLN CB C 23 28.551 28.551 28.472 0.079 25062 126 1 . 1 1 23 23 GLN H H 23 7.588 7.588 7.769 -0.180 25062 127 1 . 1 1 24 24 LYS N N 24 116.529 116.529 117.096 -0.567 25062 128 1 . 1 1 24 24 LYS HA H 24 3.996 3.996 4.201 -0.205 25062 129 1 . 1 1 24 24 LYS C C 24 177.508 177.508 178.405 -0.897 25062 130 1 . 1 1 24 24 LYS CA C 24 58.414 58.414 57.762 0.652 25062 131 1 . 1 1 24 24 LYS CB C 24 32.917 32.917 32.517 0.401 25062 132 1 . 1 1 24 24 LYS H H 24 7.544 7.544 7.678 -0.134 25062 133 1 . 1 1 25 25 HIS N N 25 119.657 119.657 118.410 1.247 25062 134 1 . 1 1 25 25 HIS HA H 25 4.253 4.253 4.458 -0.205 25062 135 1 . 1 1 25 25 HIS C C 25 175.915 175.915 174.806 1.109 25062 136 1 . 1 1 25 25 HIS CA C 25 59.442 59.442 58.770 0.672 25062 137 1 . 1 1 25 25 HIS CB C 25 31.870 31.870 31.349 0.521 25062 138 1 . 1 1 25 25 HIS H H 25 7.809 7.809 7.908 -0.099 25062 139 1 . 1 1 26 26 ASP N N 26 113.221 113.221 115.336 -2.115 25062 140 1 . 1 1 26 26 ASP HA H 26 4.735 4.735 4.986 -0.251 25062 141 1 . 1 1 26 26 ASP C C 26 173.856 173.856 174.408 -0.552 25062 142 1 . 1 1 26 26 ASP CA C 26 51.670 51.670 52.166 -0.496 25062 143 1 . 1 1 26 26 ASP CB C 26 42.366 42.366 43.079 -0.713 25062 144 1 . 1 1 26 26 ASP H H 26 8.358 8.358 8.213 0.145 25062 145 1 . 1 1 27 27 PRO HA H 27 4.566 4.566 4.637 -0.071 25062 146 1 . 1 1 27 27 PRO C C 27 176.845 176.845 176.563 0.282 25062 147 1 . 1 1 27 27 PRO CA C 27 63.877 63.877 63.746 0.131 25062 148 1 . 1 1 27 27 PRO CB C 27 32.285 32.285 32.336 -0.051 25062 149 1 . 1 1 28 28 ASN N N 28 115.529 115.529 116.242 -0.714 25062 150 1 . 1 1 28 28 ASN HA H 28 4.672 4.672 4.708 -0.036 25062 151 1 . 1 1 28 28 ASN C C 28 175.632 175.632 175.443 0.189 25062 152 1 . 1 1 28 28 ASN CA C 28 53.815 53.815 53.733 0.082 25062 153 1 . 1 1 28 28 ASN CB C 28 39.094 39.094 39.242 -0.148 25062 154 1 . 1 1 28 28 ASN H H 28 8.570 8.570 8.060 0.510 25062 155 1 . 1 1 29 29 VAL N N 29 121.867 121.867 121.517 0.350 25062 156 1 . 1 1 29 29 VAL HA H 29 3.884 3.884 3.953 -0.069 25062 157 1 . 1 1 29 29 VAL C C 29 175.085 175.085 175.819 -0.734 25062 158 1 . 1 1 29 29 VAL CA C 29 63.175 63.175 63.266 -0.091 25062 159 1 . 1 1 29 29 VAL CB C 29 31.998 31.998 31.554 0.444 25062 160 1 . 1 1 29 29 VAL H H 29 7.465 7.465 7.529 -0.064 25062 161 1 . 1 1 30 30 LYS N N 30 130.242 130.242 128.080 2.162 25062 162 1 . 1 1 30 30 LYS HA H 30 4.434 4.434 4.440 -0.006 25062 163 1 . 1 1 30 30 LYS C C 30 175.093 175.093 175.856 -0.763 25062 164 1 . 1 1 30 30 LYS CA C 30 55.373 55.373 55.466 -0.093 25062 165 1 . 1 1 30 30 LYS CB C 30 32.427 32.427 33.449 -1.022 25062 166 1 . 1 1 30 30 LYS H H 30 9.036 9.036 8.256 0.780 25062 167 1 . 1 1 31 31 THR N N 31 113.173 113.173 114.174 -1.001 25062 168 1 . 1 1 31 31 THR HA H 31 5.688 5.688 5.292 0.396 25062 169 1 . 1 1 31 31 THR C C 31 174.708 174.708 173.928 0.780 25062 170 1 . 1 1 31 31 THR CA C 31 58.537 58.537 60.282 -1.745 25062 171 1 . 1 1 31 31 THR CB C 31 71.419 71.419 70.781 0.638 25062 172 1 . 1 1 31 31 THR H H 31 8.185 8.185 8.312 -0.127 25062 173 1 . 1 1 32 32 VAL N N 32 122.168 122.168 124.940 -2.772 25062 174 1 . 1 1 32 32 VAL HA H 32 4.895 4.895 4.669 0.226 25062 175 1 . 1 1 32 32 VAL C C 32 173.388 173.388 174.116 -0.728 25062 176 1 . 1 1 32 32 VAL CA C 32 58.733 58.733 58.878 -0.145 25062 177 1 . 1 1 32 32 VAL CB C 32 33.904 33.904 34.252 -0.348 25062 178 1 . 1 1 32 32 VAL H H 32 8.968 8.968 8.510 0.458 25062 179 1 . 1 1 33 33 PRO HA H 33 4.974 4.974 4.932 0.042 25062 180 1 . 1 1 33 33 PRO C C 33 177.848 177.848 178.071 -0.223 25062 181 1 . 1 1 33 33 PRO CA C 33 62.342 62.342 62.334 0.008 25062 182 1 . 1 1 33 33 PRO CB C 33 33.021 33.021 32.606 0.415 25062 183 1 . 1 1 34 34 THR N N 34 114.266 114.266 111.054 3.212 25062 184 1 . 1 1 34 34 THR HA H 34 4.118 4.118 4.117 0.001 25062 185 1 . 1 1 34 34 THR C C 34 176.879 176.879 176.326 0.553 25062 186 1 . 1 1 34 34 THR CA C 34 64.607 64.607 65.364 -0.757 25062 187 1 . 1 1 34 34 THR CB C 34 68.311 68.311 68.835 -0.524 25062 188 1 . 1 1 34 34 THR H H 34 9.033 9.033 8.532 0.501 25062 189 1 . 1 1 35 35 LYS HA H 35 4.245 4.245 4.173 0.072 25062 190 1 . 1 1 35 35 LYS C C 35 176.639 176.639 177.268 -0.629 25062 191 1 . 1 1 35 35 LYS CA C 35 58.134 58.134 58.248 -0.114 25062 192 1 . 1 1 35 35 LYS CB C 35 32.303 32.303 31.980 0.323 25062 193 1 . 1 1 36 36 ASP N N 36 120.993 120.993 120.080 0.913 25062 194 1 . 1 1 36 36 ASP HA H 36 5.015 5.015 4.843 0.172 25062 195 1 . 1 1 36 36 ASP C C 36 176.202 176.202 175.746 0.456 25062 196 1 . 1 1 36 36 ASP CA C 36 53.436 53.436 53.805 -0.369 25062 197 1 . 1 1 36 36 ASP CB C 36 41.110 41.110 40.375 0.735 25062 198 1 . 1 1 36 36 ASP H H 36 7.726 7.726 7.770 -0.044 25062 199 1 . 1 1 37 37 LYS HA H 37 3.988 3.988 3.911 0.077 25062 200 1 . 1 1 37 37 LYS C C 37 177.948 177.948 177.963 -0.015 25062 201 1 . 1 1 37 37 LYS CA C 37 59.308 59.308 59.589 -0.281 25062 202 1 . 1 1 37 37 LYS CB C 37 32.848 32.848 32.469 0.379 25062 203 1 . 1 1 38 38 GLU N N 38 119.141 119.141 117.830 1.311 25062 204 1 . 1 1 38 38 GLU HA H 38 4.250 4.250 4.095 0.154 25062 205 1 . 1 1 38 38 GLU C C 38 178.054 178.054 178.501 -0.447 25062 206 1 . 1 1 38 38 GLU CA C 38 58.502 58.502 58.956 -0.454 25062 207 1 . 1 1 38 38 GLU CB C 38 29.207 29.207 29.118 0.089 25062 208 1 . 1 1 38 38 GLU H H 38 8.883 8.883 8.650 0.233 25062 209 1 . 1 1 39 39 LYS N N 39 118.440 118.440 118.788 -0.348 25062 210 1 . 1 1 39 39 LYS HA H 39 4.507 4.507 4.190 0.317 25062 211 1 . 1 1 39 39 LYS C C 39 177.126 177.126 178.429 -1.303 25062 212 1 . 1 1 39 39 LYS CA C 39 56.307 56.307 57.937 -1.630 25062 213 1 . 1 1 39 39 LYS CB C 39 32.424 32.424 32.094 0.330 25062 214 1 . 1 1 39 39 LYS H H 39 8.064 8.064 7.707 0.357 25062 215 1 . 1 1 40 40 VAL N N 40 118.130 118.130 120.390 -2.260 25062 216 1 . 1 1 40 40 VAL HA H 40 3.395 3.395 3.537 -0.142 25062 217 1 . 1 1 40 40 VAL C C 40 176.934 176.934 177.390 -0.456 25062 218 1 . 1 1 40 40 VAL CA C 40 67.621 67.621 66.990 0.631 25062 219 1 . 1 1 40 40 VAL CB C 40 31.655 31.655 31.249 0.406 25062 220 1 . 1 1 40 40 VAL H H 40 7.308 7.308 7.835 -0.527 25062 221 1 . 1 1 41 41 LYS N N 41 118.555 118.555 118.754 -0.199 25062 222 1 . 1 1 41 41 LYS HA H 41 3.643 3.643 3.720 -0.077 25062 223 1 . 1 1 41 41 LYS C C 41 178.363 178.363 178.525 -0.162 25062 224 1 . 1 1 41 41 LYS CA C 41 61.287 61.287 59.733 1.554 25062 225 1 . 1 1 41 41 LYS CB C 41 31.454 31.454 31.740 -0.286 25062 226 1 . 1 1 41 41 LYS H H 41 8.150 8.150 8.030 0.120 25062 227 1 . 1 1 42 42 GLU N N 42 119.454 119.454 118.225 1.229 25062 228 1 . 1 1 42 42 GLU HA H 42 4.098 4.098 4.083 0.015 25062 229 1 . 1 1 42 42 GLU C C 42 179.552 179.552 179.050 0.502 25062 230 1 . 1 1 42 42 GLU CA C 42 59.256 59.256 59.136 0.120 25062 231 1 . 1 1 42 42 GLU CB C 42 29.594 29.594 29.129 0.465 25062 232 1 . 1 1 42 42 GLU H H 42 8.067 8.067 7.749 0.318 25062 233 1 . 1 1 43 43 GLU N N 43 118.427 118.427 119.139 -0.712 25062 234 1 . 1 1 43 43 GLU HA H 43 4.295 4.295 4.162 0.133 25062 235 1 . 1 1 43 43 GLU C C 43 180.076 180.076 179.310 0.765 25062 236 1 . 1 1 43 43 GLU CA C 43 58.455 58.455 58.382 0.073 25062 237 1 . 1 1 43 43 GLU CB C 43 28.645 28.645 29.210 -0.565 25062 238 1 . 1 1 43 43 GLU H H 43 8.189 8.189 7.937 0.252 25062 239 1 . 1 1 44 44 ILE N N 44 122.905 122.905 120.663 2.242 25062 240 1 . 1 1 44 44 ILE HA H 44 3.635 3.635 3.665 -0.030 25062 241 1 . 1 1 44 44 ILE C C 44 176.828 176.828 177.690 -0.862 25062 242 1 . 1 1 44 44 ILE CA C 44 66.397 66.397 65.913 0.485 25062 243 1 . 1 1 44 44 ILE CB C 44 37.539 37.539 37.886 -0.347 25062 244 1 . 1 1 44 44 ILE H H 44 8.734 8.734 8.348 0.386 25062 245 1 . 1 1 45 45 GLU N N 45 120.098 120.098 120.398 -0.300 25062 246 1 . 1 1 45 45 GLU HA H 45 4.139 4.139 4.027 0.112 25062 247 1 . 1 1 45 45 GLU C C 45 178.930 178.930 178.895 0.035 25062 248 1 . 1 1 45 45 GLU CA C 45 59.489 59.489 59.614 -0.125 25062 249 1 . 1 1 45 45 GLU CB C 45 29.148 29.148 29.454 -0.306 25062 250 1 . 1 1 45 45 GLU H H 45 8.099 8.099 7.986 0.113 25062 251 1 . 1 1 46 46 LYS N N 46 118.360 118.360 118.745 -0.385 25062 252 1 . 1 1 46 46 LYS HA H 46 4.009 4.009 4.111 -0.102 25062 253 1 . 1 1 46 46 LYS C C 46 178.775 178.775 178.866 -0.091 25062 254 1 . 1 1 46 46 LYS CA C 46 59.902 59.902 58.829 1.073 25062 255 1 . 1 1 46 46 LYS CB C 46 32.702 32.702 32.145 0.556 25062 256 1 . 1 1 46 46 LYS H H 46 7.854 7.854 7.768 0.086 25062 257 1 . 1 1 47 47 ALA N N 47 122.551 122.551 122.419 0.132 25062 258 1 . 1 1 47 47 ALA HA H 47 4.128 4.128 4.022 0.106 25062 259 1 . 1 1 47 47 ALA C C 47 180.095 180.095 179.273 0.822 25062 260 1 . 1 1 47 47 ALA CA C 47 55.403 55.403 55.118 0.285 25062 261 1 . 1 1 47 47 ALA CB C 47 17.705 17.705 18.387 -0.682 25062 262 1 . 1 1 47 47 ALA H H 47 8.135 8.135 7.970 0.165 25062 263 1 . 1 1 48 48 ARG N N 48 118.945 118.945 118.386 0.559 25062 264 1 . 1 1 48 48 ARG HA H 48 4.057 4.057 4.070 -0.013 25062 265 1 . 1 1 48 48 ARG C C 48 179.960 179.960 178.673 1.287 25062 266 1 . 1 1 48 48 ARG CA C 48 59.287 59.287 59.090 0.197 25062 267 1 . 1 1 48 48 ARG CB C 48 29.452 29.452 30.152 -0.700 25062 268 1 . 1 1 48 48 ARG H H 48 8.655 8.655 8.048 0.607 25062 269 1 . 1 1 49 49 LYS N N 49 119.557 119.557 118.785 0.772 25062 270 1 . 1 1 49 49 LYS HA H 49 4.057 4.057 4.131 -0.074 25062 271 1 . 1 1 49 49 LYS C C 49 178.288 178.288 178.559 -0.271 25062 272 1 . 1 1 49 49 LYS CA C 49 58.970 58.970 58.525 0.446 25062 273 1 . 1 1 49 49 LYS CB C 49 32.653 32.653 32.203 0.451 25062 274 1 . 1 1 49 49 LYS H H 49 8.058 8.058 7.625 0.433 25062 275 1 . 1 1 50 50 GLN N N 50 115.215 115.215 115.539 -0.324 25062 276 1 . 1 1 50 50 GLN HA H 50 4.377 4.377 4.375 0.002 25062 277 1 . 1 1 50 50 GLN C C 50 176.439 176.439 176.454 -0.015 25062 278 1 . 1 1 50 50 GLN CA C 50 55.973 55.973 55.436 0.537 25062 279 1 . 1 1 50 50 GLN CB C 50 29.808 29.808 29.294 0.514 25062 280 1 . 1 1 50 50 GLN H H 50 7.938 7.938 7.754 0.184 25062 281 1 . 1 1 51 51 GLY N N 51 109.413 109.413 108.130 1.283 25062 282 1 . 1 1 51 51 GLY C C 51 174.570 174.570 174.110 0.460 25062 283 1 . 1 1 51 51 GLY CA C 51 46.595 46.595 45.605 0.990 25062 284 1 . 1 1 51 51 GLY H H 51 8.070 8.070 7.713 0.357 25062 285 1 . 1 1 52 52 ARG N N 52 119.414 119.414 119.555 -0.141 25062 286 1 . 1 1 52 52 ARG HA H 52 4.902 4.902 4.832 0.070 25062 287 1 . 1 1 52 52 ARG C C 52 173.093 173.093 174.199 -1.106 25062 288 1 . 1 1 52 52 ARG CA C 52 52.977 52.977 52.625 0.352 25062 289 1 . 1 1 52 52 ARG CB C 52 32.410 32.410 31.667 0.743 25062 290 1 . 1 1 52 52 ARG H H 52 7.950 7.950 7.911 0.039 25062 291 1 . 1 1 53 53 PRO HA H 53 5.074 5.074 4.947 0.127 25062 292 1 . 1 1 53 53 PRO C C 53 174.179 174.179 175.796 -1.617 25062 293 1 . 1 1 53 53 PRO CA C 53 61.977 61.977 62.428 -0.451 25062 294 1 . 1 1 53 53 PRO CB C 53 32.534 32.534 32.934 -0.400 25062 295 1 . 1 1 54 54 ILE N N 54 115.161 115.161 119.599 -4.438 25062 296 1 . 1 1 54 54 ILE HA H 54 4.958 4.958 4.759 0.199 25062 297 1 . 1 1 54 54 ILE C C 54 172.097 172.097 173.680 -1.583 25062 298 1 . 1 1 54 54 ILE CA C 54 58.773 58.773 59.657 -0.884 25062 299 1 . 1 1 54 54 ILE CB C 54 41.735 41.735 41.521 0.214 25062 300 1 . 1 1 54 54 ILE H H 54 7.718 7.718 8.286 -0.567 25062 301 1 . 1 1 55 55 VAL N N 55 126.019 126.019 129.571 -3.552 25062 302 1 . 1 1 55 55 VAL HA H 55 4.880 4.880 4.490 0.390 25062 303 1 . 1 1 55 55 VAL C C 55 173.844 173.844 174.789 -0.945 25062 304 1 . 1 1 55 55 VAL CA C 55 60.293 60.293 60.986 -0.693 25062 305 1 . 1 1 55 55 VAL CB C 55 33.268 33.268 31.798 1.470 25062 306 1 . 1 1 55 55 VAL H H 55 8.352 8.352 8.703 -0.351 25062 307 1 . 1 1 56 56 VAL N N 56 127.584 127.584 127.707 -0.123 25062 308 1 . 1 1 56 56 VAL HA H 56 4.441 4.441 4.346 0.095 25062 309 1 . 1 1 56 56 VAL C C 56 173.968 173.968 174.989 -1.021 25062 310 1 . 1 1 56 56 VAL CA C 56 60.543 60.543 61.193 -0.650 25062 311 1 . 1 1 56 56 VAL CB C 56 34.380 34.380 32.585 1.795 25062 312 1 . 1 1 56 56 VAL H H 56 9.291 9.291 8.546 0.745 25062 313 1 . 1 1 57 57 PHE N N 57 125.432 125.432 127.451 -2.019 25062 314 1 . 1 1 57 57 PHE HA H 57 4.930 4.930 4.998 -0.068 25062 315 1 . 1 1 57 57 PHE C C 57 174.987 174.987 175.237 -0.250 25062 316 1 . 1 1 57 57 PHE CA C 57 58.208 58.208 57.168 1.041 25062 317 1 . 1 1 57 57 PHE CB C 57 39.886 39.886 39.406 0.480 25062 318 1 . 1 1 57 57 PHE H H 57 8.585 8.585 8.668 -0.083 25062 319 1 . 1 1 58 58 VAL N N 58 123.763 123.763 122.718 1.045 25062 320 1 . 1 1 58 58 VAL HA H 58 4.202 4.202 4.360 -0.158 25062 321 1 . 1 1 58 58 VAL C C 58 174.791 174.791 175.118 -0.327 25062 322 1 . 1 1 58 58 VAL CA C 58 60.881 60.881 60.360 0.521 25062 323 1 . 1 1 58 58 VAL CB C 58 34.712 34.712 34.872 -0.160 25062 324 1 . 1 1 58 58 VAL H H 58 9.008 9.008 8.611 0.397 25062 325 1 . 1 1 59 59 ARG N N 59 127.924 127.924 124.441 3.483 25062 326 1 . 1 1 59 59 ARG HA H 59 4.582 4.582 4.776 -0.194 25062 327 1 . 1 1 59 59 ARG C C 59 177.755 177.755 177.620 0.135 25062 328 1 . 1 1 59 59 ARG CA C 59 56.538 56.538 55.622 0.916 25062 329 1 . 1 1 59 59 ARG CB C 59 30.513 30.513 31.482 -0.969 25062 330 1 . 1 1 59 59 ARG H H 59 8.820 8.820 8.627 0.193 25062 331 1 . 1 1 60 60 GLY N N 60 110.441 110.441 111.500 -1.059 25062 332 1 . 1 1 60 60 GLY C C 60 174.818 174.818 174.684 0.134 25062 333 1 . 1 1 60 60 GLY CA C 60 46.988 46.988 46.279 0.709 25062 334 1 . 1 1 60 60 GLY H H 60 8.200 8.200 8.443 -0.243 25062 335 1 . 1 1 61 61 GLY N N 61 109.411 109.411 110.547 -1.136 25062 336 1 . 1 1 61 61 GLY C C 61 174.550 174.550 174.689 -0.139 25062 337 1 . 1 1 61 61 GLY CA C 61 45.431 45.431 45.361 0.070 25062 338 1 . 1 1 61 61 GLY H H 61 7.995 7.995 8.190 -0.195 25062 339 1 . 1 1 62 62 ASP N N 62 122.920 122.920 122.070 0.850 25062 340 1 . 1 1 62 62 ASP HA H 62 5.021 5.021 4.808 0.213 25062 341 1 . 1 1 62 62 ASP C C 62 176.247 176.247 175.752 0.495 25062 342 1 . 1 1 62 62 ASP CA C 62 52.527 52.527 54.010 -1.483 25062 343 1 . 1 1 62 62 ASP CB C 62 39.815 39.815 40.700 -0.885 25062 344 1 . 1 1 62 62 ASP H H 62 8.090 8.090 7.803 0.287 25062 345 1 . 1 1 63 63 ASP N N 63 121.058 121.058 121.340 -0.282 25062 346 1 . 1 1 63 63 ASP HA H 63 4.266 4.266 4.316 -0.050 25062 347 1 . 1 1 63 63 ASP C C 63 178.418 178.418 177.637 0.781 25062 348 1 . 1 1 63 63 ASP CA C 63 57.341 57.341 57.392 -0.051 25062 349 1 . 1 1 63 63 ASP CB C 63 41.572 41.572 41.188 0.384 25062 350 1 . 1 1 63 63 ASP H H 63 8.023 8.023 8.189 -0.166 25062 351 1 . 1 1 64 64 GLU N N 64 119.564 119.564 119.122 0.442 25062 352 1 . 1 1 64 64 GLU HA H 64 4.051 4.051 4.011 0.040 25062 353 1 . 1 1 64 64 GLU C C 64 178.321 178.321 178.719 -0.398 25062 354 1 . 1 1 64 64 GLU CA C 64 59.382 59.382 59.391 -0.009 25062 355 1 . 1 1 64 64 GLU CB C 64 29.044 29.044 29.431 -0.387 25062 356 1 . 1 1 64 64 GLU H H 64 8.760 8.760 8.582 0.178 25062 357 1 . 1 1 65 65 ARG N N 65 119.839 119.839 118.815 1.024 25062 358 1 . 1 1 65 65 ARG HA H 65 4.196 4.196 4.162 0.034 25062 359 1 . 1 1 65 65 ARG C C 65 178.305 178.305 178.421 -0.116 25062 360 1 . 1 1 65 65 ARG CA C 65 59.052 59.052 58.752 0.300 25062 361 1 . 1 1 65 65 ARG CB C 65 30.637 30.637 29.889 0.748 25062 362 1 . 1 1 65 65 ARG H H 65 7.643 7.643 7.833 -0.190 25062 363 1 . 1 1 66 66 ALA N N 66 118.984 118.984 122.009 -3.025 25062 364 1 . 1 1 66 66 ALA HA H 66 3.866 3.866 4.041 -0.175 25062 365 1 . 1 1 66 66 ALA C C 66 178.638 178.638 179.298 -0.660 25062 366 1 . 1 1 66 66 ALA CA C 66 55.466 55.466 55.243 0.223 25062 367 1 . 1 1 66 66 ALA CB C 66 18.361 18.361 18.280 0.081 25062 368 1 . 1 1 66 66 ALA H H 66 7.782 7.782 7.985 -0.203 25062 369 1 . 1 1 67 67 LYS N N 67 117.711 117.711 117.128 0.583 25062 370 1 . 1 1 67 67 LYS HA H 67 4.019 4.019 4.060 -0.041 25062 371 1 . 1 1 67 67 LYS C C 67 178.363 178.363 178.685 -0.322 25062 372 1 . 1 1 67 67 LYS CA C 67 59.573 59.573 59.404 0.169 25062 373 1 . 1 1 67 67 LYS CB C 67 32.224 32.224 32.126 0.098 25062 374 1 . 1 1 67 67 LYS H H 67 8.010 8.010 7.854 0.156 25062 375 1 . 1 1 68 68 ASP N N 68 119.581 119.581 120.977 -1.397 25062 376 1 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.522 -0.108 25062 377 1 . 1 1 68 68 ASP C C 68 179.235 179.235 178.646 0.589 25062 378 1 . 1 1 68 68 ASP CA C 68 57.494 57.494 57.609 -0.115 25062 379 1 . 1 1 68 68 ASP CB C 68 41.387 41.387 40.853 0.534 25062 380 1 . 1 1 68 68 ASP H H 68 7.999 7.999 7.728 0.271 25062 381 1 . 1 1 69 69 ILE N N 69 119.307 119.307 120.316 -1.009 25062 382 1 . 1 1 69 69 ILE HA H 69 3.593 3.593 3.716 -0.123 25062 383 1 . 1 1 69 69 ILE C C 69 176.927 176.927 177.815 -0.888 25062 384 1 . 1 1 69 69 ILE CA C 69 65.226 65.226 65.043 0.183 25062 385 1 . 1 1 69 69 ILE CB C 69 37.863 37.863 37.728 0.135 25062 386 1 . 1 1 69 69 ILE H H 69 8.283 8.283 7.965 0.318 25062 387 1 . 1 1 70 70 ALA N N 70 121.395 121.395 122.107 -0.712 25062 388 1 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.731 0.001 25062 389 1 . 1 1 70 70 ALA C C 70 178.770 178.770 179.083 -0.313 25062 390 1 . 1 1 70 70 ALA CA C 70 55.541 55.541 55.082 0.459 25062 391 1 . 1 1 70 70 ALA CB C 70 18.144 18.144 17.490 0.654 25062 392 1 . 1 1 70 70 ALA H H 70 8.200 8.200 7.951 0.249 25062 393 1 . 1 1 71 71 GLU N N 71 116.210 116.210 119.979 -3.769 25062 394 1 . 1 1 71 71 GLU HA H 71 4.146 4.146 4.201 -0.055 25062 395 1 . 1 1 71 71 GLU C C 71 179.215 179.215 178.700 0.515 25062 396 1 . 1 1 71 71 GLU CA C 71 59.433 59.433 59.089 0.344 25062 397 1 . 1 1 71 71 GLU CB C 71 29.584 29.584 29.761 -0.177 25062 398 1 . 1 1 71 71 GLU H H 71 8.402 8.402 7.909 0.493 25062 399 1 . 1 1 72 72 TYR N N 72 121.372 121.372 120.714 0.658 25062 400 1 . 1 1 72 72 TYR HA H 72 4.202 4.202 4.131 0.071 25062 401 1 . 1 1 72 72 TYR C C 72 176.699 176.699 177.224 -0.525 25062 402 1 . 1 1 72 72 TYR CA C 72 61.306 61.306 61.481 -0.175 25062 403 1 . 1 1 72 72 TYR CB C 72 38.239 38.239 38.378 -0.139 25062 404 1 . 1 1 72 72 TYR H H 72 8.031 8.031 8.006 0.025 25062 405 1 . 1 1 73 73 ALA N N 73 119.994 119.994 120.319 -0.325 25062 406 1 . 1 1 73 73 ALA HA H 73 3.611 3.611 3.762 -0.151 25062 407 1 . 1 1 73 73 ALA C C 73 178.786 178.786 179.268 -0.482 25062 408 1 . 1 1 73 73 ALA CA C 73 55.171 55.171 55.170 0.001 25062 409 1 . 1 1 73 73 ALA CB C 73 18.501 18.501 18.002 0.499 25062 410 1 . 1 1 73 73 ALA H H 73 8.588 8.588 8.181 0.407 25062 411 1 . 1 1 74 74 GLN N N 74 116.775 116.775 118.419 -1.644 25062 412 1 . 1 1 74 74 GLN HA H 74 4.307 4.307 4.198 0.109 25062 413 1 . 1 1 74 74 GLN C C 74 180.672 180.672 178.422 2.250 25062 414 1 . 1 1 74 74 GLN CA C 74 59.176 59.176 58.443 0.733 25062 415 1 . 1 1 74 74 GLN CB C 74 29.197 29.197 28.867 0.330 25062 416 1 . 1 1 74 74 GLN H H 74 8.382 8.382 8.024 0.358 25062 417 1 . 1 1 75 75 LYS N N 75 122.969 122.969 119.002 3.967 25062 418 1 . 1 1 75 75 LYS HA H 75 4.056 4.056 4.059 -0.003 25062 419 1 . 1 1 75 75 LYS C C 75 178.547 178.547 178.366 0.181 25062 420 1 . 1 1 75 75 LYS CA C 75 59.227 59.227 58.507 0.720 25062 421 1 . 1 1 75 75 LYS CB C 75 31.763 31.763 32.234 -0.471 25062 422 1 . 1 1 75 75 LYS H H 75 8.248 8.248 7.688 0.560 25062 423 1 . 1 1 76 76 GLU N N 76 117.058 117.058 115.419 1.639 25062 424 1 . 1 1 76 76 GLU HA H 76 4.095 4.095 4.194 -0.099 25062 425 1 . 1 1 76 76 GLU C C 76 176.070 176.070 176.709 -0.639 25062 426 1 . 1 1 76 76 GLU CA C 76 55.858 55.858 55.954 -0.096 25062 427 1 . 1 1 76 76 GLU CB C 76 29.798 29.798 29.596 0.202 25062 428 1 . 1 1 76 76 GLU H H 76 7.522 7.522 7.547 -0.025 25062 429 1 . 1 1 77 77 GLY N N 77 106.537 106.537 107.334 -0.797 25062 430 1 . 1 1 77 77 GLY C C 77 174.570 174.570 174.115 0.455 25062 431 1 . 1 1 77 77 GLY CA C 77 45.479 45.479 45.557 -0.078 25062 432 1 . 1 1 77 77 GLY H H 77 7.797 7.797 7.593 0.204 25062 433 1 . 1 1 78 78 LEU N N 78 121.257 121.257 118.936 2.321 25062 434 1 . 1 1 78 78 LEU HA H 78 4.406 4.406 4.599 -0.193 25062 435 1 . 1 1 78 78 LEU C C 78 176.139 176.139 176.659 -0.520 25062 436 1 . 1 1 78 78 LEU CA C 78 54.304 54.304 53.456 0.848 25062 437 1 . 1 1 78 78 LEU CB C 78 42.112 42.112 43.385 -1.273 25062 438 1 . 1 1 78 78 LEU H H 78 8.008 8.008 7.620 0.388 25062 439 1 . 1 1 79 79 ARG N N 79 121.135 121.135 122.331 -1.196 25062 440 1 . 1 1 79 79 ARG HA H 79 4.404 4.404 4.326 0.078 25062 441 1 . 1 1 79 79 ARG C C 79 174.598 174.598 175.224 -0.626 25062 442 1 . 1 1 79 79 ARG CA C 79 55.884 55.884 55.516 0.368 25062 443 1 . 1 1 79 79 ARG CB C 79 31.367 31.367 30.162 1.205 25062 444 1 . 1 1 79 79 ARG H H 79 8.062 8.062 8.208 -0.146 25062 445 1 . 1 1 80 80 VAL N N 80 123.517 123.517 126.262 -2.745 25062 446 1 . 1 1 80 80 VAL HA H 80 4.765 4.765 4.674 0.091 25062 447 1 . 1 1 80 80 VAL C C 80 175.373 175.373 175.030 0.343 25062 448 1 . 1 1 80 80 VAL CA C 80 61.637 61.637 61.627 0.010 25062 449 1 . 1 1 80 80 VAL CB C 80 34.003 34.003 32.567 1.436 25062 450 1 . 1 1 80 80 VAL H H 80 8.377 8.377 8.567 -0.190 25062 451 1 . 1 1 81 81 ILE N N 81 129.083 129.083 129.326 -0.243 25062 452 1 . 1 1 81 81 ILE HA H 81 4.883 4.883 4.896 -0.013 25062 453 1 . 1 1 81 81 ILE C C 81 173.899 173.899 174.934 -1.035 25062 454 1 . 1 1 81 81 ILE CA C 81 59.726 59.726 59.405 0.321 25062 455 1 . 1 1 81 81 ILE CB C 81 41.082 41.082 40.224 0.858 25062 456 1 . 1 1 81 81 ILE H H 81 8.812 8.812 8.683 0.129 25062 457 1 . 1 1 82 82 VAL N N 82 126.531 126.531 128.272 -1.741 25062 458 1 . 1 1 82 82 VAL HA H 82 4.987 4.987 4.718 0.269 25062 459 1 . 1 1 82 82 VAL C C 82 174.164 174.164 174.999 -0.835 25062 460 1 . 1 1 82 82 VAL CA C 82 60.324 60.324 61.446 -1.122 25062 461 1 . 1 1 82 82 VAL CB C 82 34.417 34.417 33.084 1.333 25062 462 1 . 1 1 82 82 VAL H H 82 9.085 9.085 8.418 0.667 25062 463 1 . 1 1 83 83 ILE N N 83 127.143 127.143 129.016 -1.873 25062 464 1 . 1 1 83 83 ILE HA H 83 4.904 4.904 4.902 0.002 25062 465 1 . 1 1 83 83 ILE C C 83 174.044 174.044 175.609 -1.565 25062 466 1 . 1 1 83 83 ILE CA C 83 60.016 60.016 60.246 -0.230 25062 467 1 . 1 1 83 83 ILE CB C 83 39.816 39.816 39.039 0.777 25062 468 1 . 1 1 83 83 ILE H H 83 9.391 9.391 8.628 0.763 25062 469 1 . 1 1 84 84 ILE N N 84 126.750 126.750 129.050 -2.300 25062 470 1 . 1 1 84 84 ILE HA H 84 4.446 4.446 4.655 -0.210 25062 471 1 . 1 1 84 84 ILE C C 84 174.788 174.788 175.816 -1.028 25062 472 1 . 1 1 84 84 ILE CA C 84 61.052 61.052 60.681 0.370 25062 473 1 . 1 1 84 84 ILE CB C 84 40.032 40.032 38.790 1.242 25062 474 1 . 1 1 84 84 ILE H H 84 8.714 8.714 8.751 -0.037 25062 475 1 . 1 1 85 85 VAL N N 85 127.160 127.160 129.894 -2.734 25062 476 1 . 1 1 85 85 VAL HA H 85 4.979 4.979 4.795 0.184 25062 477 1 . 1 1 85 85 VAL C C 85 176.539 176.539 174.848 1.691 25062 478 1 . 1 1 85 85 VAL CA C 85 60.062 60.062 61.374 -1.312 25062 479 1 . 1 1 85 85 VAL CB C 85 31.874 31.874 31.776 0.098 25062 480 1 . 1 1 85 85 VAL H H 85 8.464 8.464 8.920 -0.456 25062 481 1 . 1 1 86 86 SER N N 86 121.723 121.723 121.378 0.345 25062 482 1 . 1 1 86 86 SER HA H 86 4.490 4.490 4.891 -0.401 25062 483 1 . 1 1 86 86 SER C C 86 172.447 172.447 173.871 -1.424 25062 484 1 . 1 1 86 86 SER CA C 86 58.131 58.131 57.202 0.929 25062 485 1 . 1 1 86 86 SER CB C 86 64.121 64.121 66.329 -2.208 25062 486 1 . 1 1 86 86 SER H H 86 8.725 8.725 8.642 0.083 25062 487 1 . 1 1 87 87 GLN N N 87 121.657 121.657 122.573 -0.916 25062 488 1 . 1 1 87 87 GLN HA H 87 4.569 4.569 4.266 0.303 25062 489 1 . 1 1 87 87 GLN C C 87 175.732 175.732 175.361 0.371 25062 490 1 . 1 1 87 87 GLN CA C 87 56.426 56.426 57.098 -0.672 25062 491 1 . 1 1 87 87 GLN CB C 87 29.119 29.119 28.901 0.218 25062 492 1 . 1 1 87 87 GLN H H 87 8.516 8.516 8.743 -0.227 25062 493 1 . 1 1 88 88 ASP N N 88 121.146 121.146 120.735 0.411 25062 494 1 . 1 1 88 88 ASP HA H 88 4.700 4.700 4.688 0.012 25062 495 1 . 1 1 88 88 ASP C C 88 175.752 175.752 176.353 -0.601 25062 496 1 . 1 1 88 88 ASP CA C 88 53.079 53.079 54.052 -0.973 25062 497 1 . 1 1 88 88 ASP CB C 88 41.203 41.203 41.589 -0.386 25062 498 1 . 1 1 88 88 ASP H H 88 8.459 8.459 7.867 0.592 25062 499 1 . 1 1 89 89 GLU N N 89 125.736 125.736 125.029 0.707 25062 500 1 . 1 1 89 89 GLU HA H 89 3.934 3.934 3.967 -0.033 25062 501 1 . 1 1 89 89 GLU C C 89 178.820 178.820 178.091 0.729 25062 502 1 . 1 1 89 89 GLU CA C 89 59.544 59.544 59.574 -0.030 25062 503 1 . 1 1 89 89 GLU CB C 89 29.627 29.627 29.764 -0.137 25062 504 1 . 1 1 89 89 GLU H H 89 8.840 8.840 8.764 0.076 25062 505 1 . 1 1 90 90 GLU N N 90 119.813 119.813 119.599 0.214 25062 506 1 . 1 1 90 90 GLU HA H 90 4.236 4.236 4.099 0.137 25062 507 1 . 1 1 90 90 GLU C C 90 178.385 178.385 178.540 -0.155 25062 508 1 . 1 1 90 90 GLU CA C 90 58.807 58.807 59.137 -0.330 25062 509 1 . 1 1 90 90 GLU CB C 90 29.177 29.177 29.131 0.046 25062 510 1 . 1 1 90 90 GLU H H 90 8.300 8.300 8.428 -0.128 25062 511 1 . 1 1 91 91 ALA N N 91 123.211 123.211 122.211 1.000 25062 512 1 . 1 1 91 91 ALA HA H 91 4.131 4.131 4.192 -0.061 25062 513 1 . 1 1 91 91 ALA C C 91 181.895 181.895 179.822 2.073 25062 514 1 . 1 1 91 91 ALA CA C 91 54.700 54.700 54.748 -0.048 25062 515 1 . 1 1 91 91 ALA CB C 91 17.881 17.881 18.214 -0.333 25062 516 1 . 1 1 91 91 ALA H H 91 7.670 7.670 7.991 -0.321 25062 517 1 . 1 1 92 92 LEU N N 92 118.903 118.903 119.103 -0.200 25062 518 1 . 1 1 92 92 LEU HA H 92 4.005 4.005 3.935 0.070 25062 519 1 . 1 1 92 92 LEU C C 92 177.951 177.951 179.135 -1.184 25062 520 1 . 1 1 92 92 LEU CA C 92 57.950 57.950 57.928 0.022 25062 521 1 . 1 1 92 92 LEU CB C 92 42.182 42.182 41.624 0.558 25062 522 1 . 1 1 92 92 LEU H H 92 8.190 8.190 7.813 0.377 25062 523 1 . 1 1 93 93 ARG N N 93 118.916 118.916 118.585 0.331 25062 524 1 . 1 1 93 93 ARG HA H 93 4.098 4.098 4.098 0.000 25062 525 1 . 1 1 93 93 ARG C C 93 178.775 178.775 178.673 0.102 25062 526 1 . 1 1 93 93 ARG CA C 93 59.342 59.342 59.517 -0.175 25062 527 1 . 1 1 93 93 ARG CB C 93 30.145 30.145 30.023 0.122 25062 528 1 . 1 1 93 93 ARG H H 93 7.868 7.868 8.089 -0.221 25062 529 1 . 1 1 94 94 LYS N N 94 118.989 118.989 119.301 -0.312 25062 530 1 . 1 1 94 94 LYS HA H 94 4.057 4.057 4.128 -0.071 25062 531 1 . 1 1 94 94 LYS C C 94 179.270 179.270 179.092 0.178 25062 532 1 . 1 1 94 94 LYS CA C 94 59.235 59.235 59.516 -0.281 25062 533 1 . 1 1 94 94 LYS CB C 94 32.434 32.434 32.171 0.263 25062 534 1 . 1 1 94 94 LYS H H 94 8.236 8.236 7.980 0.256 25062 535 1 . 1 1 95 95 GLY N N 95 107.084 107.084 106.618 0.466 25062 536 1 . 1 1 95 95 GLY C C 95 175.285 175.285 175.899 -0.614 25062 537 1 . 1 1 95 95 GLY CA C 95 47.045 47.045 46.752 0.292 25062 538 1 . 1 1 95 95 GLY H H 95 8.296 8.296 7.835 0.461 25062 539 1 . 1 1 96 96 TYR N N 96 121.591 121.591 123.614 -2.023 25062 540 1 . 1 1 96 96 TYR HA H 96 4.046 4.046 4.122 -0.076 25062 541 1 . 1 1 96 96 TYR C C 96 176.428 176.428 177.497 -1.069 25062 542 1 . 1 1 96 96 TYR CA C 96 61.444 61.444 61.162 0.282 25062 543 1 . 1 1 96 96 TYR CB C 96 38.590 38.590 38.547 0.043 25062 544 1 . 1 1 96 96 TYR H H 96 8.372 8.372 8.059 0.313 25062 545 1 . 1 1 97 97 GLU N N 97 117.883 117.883 117.235 0.648 25062 546 1 . 1 1 97 97 GLU HA H 97 3.831 3.831 3.739 0.092 25062 547 1 . 1 1 97 97 GLU C C 97 178.775 178.775 178.847 -0.072 25062 548 1 . 1 1 97 97 GLU CA C 97 59.249 59.249 59.037 0.212 25062 549 1 . 1 1 97 97 GLU CB C 97 29.542 29.542 29.224 0.318 25062 550 1 . 1 1 97 97 GLU H H 97 8.205 8.205 8.083 0.122 25062 551 1 . 1 1 98 98 ASP N N 98 117.644 117.644 120.454 -2.810 25062 552 1 . 1 1 98 98 ASP HA H 98 4.345 4.345 4.370 -0.025 25062 553 1 . 1 1 98 98 ASP C C 98 177.978 177.978 178.263 -0.285 25062 554 1 . 1 1 98 98 ASP CA C 98 57.113 57.113 57.121 -0.008 25062 555 1 . 1 1 98 98 ASP CB C 98 41.991 41.991 40.968 1.023 25062 556 1 . 1 1 98 98 ASP H H 98 8.139 8.139 7.887 0.252 25062 557 1 . 1 1 99 99 LYS N N 99 116.691 116.691 118.237 -1.546 25062 558 1 . 1 1 99 99 LYS HA H 99 4.024 4.024 4.205 -0.181 25062 559 1 . 1 1 99 99 LYS C C 99 178.061 178.061 178.724 -0.662 25062 560 1 . 1 1 99 99 LYS CA C 99 58.006 58.006 58.314 -0.307 25062 561 1 . 1 1 99 99 LYS CB C 99 32.376 32.376 32.562 -0.186 25062 562 1 . 1 1 99 99 LYS H H 99 7.886 7.886 7.717 0.169 25062 563 1 . 1 1 100 100 LYS N N 100 120.645 120.645 120.461 0.184 25062 564 1 . 1 1 100 100 LYS HA H 100 4.074 4.074 4.230 -0.156 25062 565 1 . 1 1 100 100 LYS C C 100 180.486 180.486 178.820 1.665 25062 566 1 . 1 1 100 100 LYS CA C 100 58.183 58.183 58.863 -0.680 25062 567 1 . 1 1 100 100 LYS CB C 100 31.366 31.366 32.100 -0.734 25062 568 1 . 1 1 100 100 LYS H H 100 8.395 8.395 7.762 0.633 25062 569 1 . 1 1 101 101 LYS N N 101 119.297 119.297 118.031 1.266 25062 570 1 . 1 1 101 101 LYS HA H 101 4.082 4.082 4.049 0.033 25062 571 1 . 1 1 101 101 LYS C C 101 177.669 177.669 177.906 -0.237 25062 572 1 . 1 1 101 101 LYS CA C 101 58.466 58.466 58.420 0.046 25062 573 1 . 1 1 101 101 LYS CB C 101 32.245 32.245 32.212 0.032 25062 574 1 . 1 1 101 101 LYS H H 101 7.713 7.713 7.717 -0.004 25062 575 1 . 1 1 102 102 LYS N N 102 116.847 116.847 117.115 -0.268 25062 576 1 . 1 1 102 102 LYS HA H 102 4.093 4.093 4.117 -0.024 25062 577 1 . 1 1 102 102 LYS C C 102 176.357 176.357 176.153 0.204 25062 578 1 . 1 1 102 102 LYS CA C 102 55.789 55.789 55.694 0.095 25062 579 1 . 1 1 102 102 LYS CB C 102 32.003 32.003 32.171 -0.168 25062 580 1 . 1 1 102 102 LYS H H 102 7.124 7.124 7.236 -0.112 25062 581 1 . 1 1 103 103 GLY N N 103 105.781 105.781 106.149 -0.368 25062 582 1 . 1 1 103 103 GLY C C 103 174.378 174.378 174.451 -0.073 25062 583 1 . 1 1 103 103 GLY CA C 103 45.054 45.054 44.911 0.143 25062 584 1 . 1 1 103 103 GLY H H 103 7.771 7.771 7.313 0.458 25062 585 1 . 1 1 104 104 TYR N N 104 119.257 119.257 118.854 0.403 25062 586 1 . 1 1 104 104 TYR HA H 104 4.938 4.938 4.657 0.281 25062 587 1 . 1 1 104 104 TYR C C 104 175.223 175.223 175.145 0.078 25062 588 1 . 1 1 104 104 TYR CA C 104 54.451 54.451 55.444 -0.993 25062 589 1 . 1 1 104 104 TYR CB C 104 37.745 37.745 39.007 -1.262 25062 590 1 . 1 1 104 104 TYR H H 104 6.914 6.914 7.374 -0.460 25062 591 1 . 1 1 105 105 ASP N N 105 122.574 122.574 124.624 -2.050 25062 592 1 . 1 1 105 105 ASP HA H 105 4.781 4.781 4.628 0.153 25062 593 1 . 1 1 105 105 ASP C C 105 174.818 174.818 175.046 -0.228 25062 594 1 . 1 1 105 105 ASP CA C 105 54.215 54.215 54.589 -0.374 25062 595 1 . 1 1 105 105 ASP CB C 105 41.801 41.801 41.012 0.789 25062 596 1 . 1 1 105 105 ASP H H 105 8.223 8.223 8.547 -0.324 25062 597 1 . 1 1 106 106 VAL N N 106 121.990 121.990 124.128 -2.138 25062 598 1 . 1 1 106 106 VAL HA H 106 5.257 5.257 4.737 0.520 25062 599 1 . 1 1 106 106 VAL C C 106 173.835 173.835 175.370 -1.535 25062 600 1 . 1 1 106 106 VAL CA C 106 60.042 60.042 61.094 -1.052 25062 601 1 . 1 1 106 106 VAL CB C 106 34.379 34.379 33.084 1.295 25062 602 1 . 1 1 106 106 VAL H H 106 7.876 7.876 7.894 -0.018 25062 603 1 . 1 1 107 107 TYR N N 107 125.444 125.444 126.257 -0.813 25062 604 1 . 1 1 107 107 TYR HA H 107 5.007 5.007 4.893 0.114 25062 605 1 . 1 1 107 107 TYR C C 107 174.765 174.765 174.953 -0.188 25062 606 1 . 1 1 107 107 TYR CA C 107 56.065 56.065 56.734 -0.669 25062 607 1 . 1 1 107 107 TYR CB C 107 41.889 41.889 41.804 0.085 25062 608 1 . 1 1 107 107 TYR H H 107 9.400 9.400 9.122 0.278 25062 609 1 . 1 1 108 108 THR N N 108 111.100 111.100 113.995 -2.895 25062 610 1 . 1 1 108 108 THR HA H 108 5.212 5.212 5.164 0.047 25062 611 1 . 1 1 108 108 THR C C 108 174.350 174.350 173.837 0.513 25062 612 1 . 1 1 108 108 THR CA C 108 59.514 59.514 60.053 -0.539 25062 613 1 . 1 1 108 108 THR CB C 108 70.911 70.911 70.860 0.051 25062 614 1 . 1 1 108 108 THR H H 108 8.801 8.801 8.395 0.406 25062 615 1 . 1 1 109 109 SER N N 109 114.650 114.650 118.565 -3.915 25062 616 1 . 1 1 109 109 SER HA H 109 4.901 4.901 4.908 -0.007 25062 617 1 . 1 1 109 109 SER C C 109 172.399 172.399 174.271 -1.872 25062 618 1 . 1 1 109 109 SER CA C 109 57.974 57.974 57.013 0.961 25062 619 1 . 1 1 109 109 SER CB C 109 67.764 67.764 66.555 1.209 25062 620 1 . 1 1 109 109 SER H H 109 8.565 8.565 8.588 -0.023 25062 621 1 . 1 1 110 110 ARG N N 110 119.807 119.807 122.442 -2.635 25062 622 1 . 1 1 110 110 ARG HA H 110 5.009 5.009 4.611 0.398 25062 623 1 . 1 1 110 110 ARG C C 110 175.995 175.995 176.016 -0.021 25062 624 1 . 1 1 110 110 ARG CA C 110 56.009 56.009 57.420 -1.412 25062 625 1 . 1 1 110 110 ARG CB C 110 31.817 31.817 31.087 0.730 25062 626 1 . 1 1 110 110 ARG H H 110 8.948 8.948 8.704 0.244 25062 627 1 . 1 1 111 111 ASN N N 111 110.690 110.690 112.734 -2.044 25062 628 1 . 1 1 111 111 ASN HA H 111 4.633 4.633 4.801 -0.168 25062 629 1 . 1 1 111 111 ASN C C 111 174.460 174.460 174.819 -0.359 25062 630 1 . 1 1 111 111 ASN CA C 111 51.370 51.370 52.356 -0.986 25062 631 1 . 1 1 111 111 ASN CB C 111 40.117 40.117 39.766 0.351 25062 632 1 . 1 1 111 111 ASN H H 111 7.426 7.426 7.621 -0.195 25062 633 1 . 1 1 112 112 GLU N N 112 119.451 119.451 119.577 -0.126 25062 634 1 . 1 1 112 112 GLU HA H 112 3.808 3.808 3.986 -0.178 25062 635 1 . 1 1 112 112 GLU C C 112 176.445 176.445 177.560 -1.115 25062 636 1 . 1 1 112 112 GLU CA C 112 60.193 60.193 59.956 0.237 25062 637 1 . 1 1 112 112 GLU CB C 112 30.606 30.606 29.448 1.158 25062 638 1 . 1 1 112 112 GLU H H 112 9.529 9.529 8.827 0.702 25062 639 1 . 1 1 113 113 ASP N N 113 120.739 120.739 118.764 1.975 25062 640 1 . 1 1 113 113 ASP HA H 113 4.369 4.369 4.366 0.003 25062 641 1 . 1 1 113 113 ASP C C 113 179.043 179.043 178.811 0.232 25062 642 1 . 1 1 113 113 ASP CA C 113 58.105 58.105 57.767 0.338 25062 643 1 . 1 1 113 113 ASP CB C 113 40.947 40.947 40.357 0.590 25062 644 1 . 1 1 113 113 ASP H H 113 8.256 8.256 8.487 -0.231 25062 645 1 . 1 1 114 114 GLU N N 114 119.817 119.817 119.980 -0.163 25062 646 1 . 1 1 114 114 GLU HA H 114 4.050 4.050 4.046 0.004 25062 647 1 . 1 1 114 114 GLU C C 114 178.770 178.770 178.536 0.234 25062 648 1 . 1 1 114 114 GLU CA C 114 59.240 59.240 58.985 0.255 25062 649 1 . 1 1 114 114 GLU CB C 114 30.656 30.656 29.247 1.409 25062 650 1 . 1 1 114 114 GLU H H 114 8.577 8.577 7.839 0.738 25062 651 1 . 1 1 115 115 ALA N N 115 121.470 121.470 122.281 -0.810 25062 652 1 . 1 1 115 115 ALA HA H 115 4.055 4.055 4.029 0.026 25062 653 1 . 1 1 115 115 ALA C C 115 178.962 178.962 179.241 -0.279 25062 654 1 . 1 1 115 115 ALA CA C 115 55.213 55.213 55.225 -0.012 25062 655 1 . 1 1 115 115 ALA CB C 115 19.857 19.857 18.319 1.538 25062 656 1 . 1 1 115 115 ALA H H 115 8.358 8.358 8.005 0.353 25062 657 1 . 1 1 116 116 LYS N N 116 117.285 117.285 118.408 -1.123 25062 658 1 . 1 1 116 116 LYS HA H 116 3.658 3.658 4.007 -0.349 25062 659 1 . 1 1 116 116 LYS C C 116 178.583 178.583 178.746 -0.163 25062 660 1 . 1 1 116 116 LYS CA C 116 60.917 60.917 59.540 1.377 25062 661 1 . 1 1 116 116 LYS CB C 116 32.811 32.811 32.357 0.454 25062 662 1 . 1 1 116 116 LYS H H 116 8.350 8.350 8.127 0.223 25062 663 1 . 1 1 117 117 LYS N N 117 118.433 118.433 119.032 -0.599 25062 664 1 . 1 1 117 117 LYS HA H 117 3.986 3.986 4.013 -0.027 25062 665 1 . 1 1 117 117 LYS C C 117 179.380 179.380 179.006 0.374 25062 666 1 . 1 1 117 117 LYS CA C 117 59.605 59.605 59.352 0.253 25062 667 1 . 1 1 117 117 LYS CB C 117 32.382 32.382 32.202 0.180 25062 668 1 . 1 1 117 117 LYS H H 117 7.345 7.345 7.608 -0.263 25062 669 1 . 1 1 118 118 LYS N N 118 118.166 118.166 118.926 -0.760 25062 670 1 . 1 1 118 118 LYS HA H 118 3.939 3.939 3.879 0.060 25062 671 1 . 1 1 118 118 LYS C C 118 178.088 178.088 178.941 -0.853 25062 672 1 . 1 1 118 118 LYS CA C 118 57.556 57.556 58.000 -0.445 25062 673 1 . 1 1 118 118 LYS CB C 118 31.140 31.140 31.775 -0.635 25062 674 1 . 1 1 118 118 LYS H H 118 8.130 8.130 7.778 0.352 25062 675 1 . 1 1 119 119 LEU N N 119 120.654 120.654 121.005 -0.351 25062 676 1 . 1 1 119 119 LEU HA H 119 3.784 3.784 3.961 -0.177 25062 677 1 . 1 1 119 119 LEU C C 119 177.567 177.567 178.205 -0.638 25062 678 1 . 1 1 119 119 LEU CA C 119 57.914 57.914 57.850 0.064 25062 679 1 . 1 1 119 119 LEU CB C 119 42.174 42.174 41.808 0.366 25062 680 1 . 1 1 119 119 LEU H H 119 8.592 8.592 7.983 0.609 25062 681 1 . 1 1 120 120 LYS N N 120 118.314 118.314 118.537 -0.223 25062 682 1 . 1 1 120 120 LYS HA H 120 3.545 3.545 3.647 -0.102 25062 683 1 . 1 1 120 120 LYS C C 120 178.624 178.624 178.961 -0.337 25062 684 1 . 1 1 120 120 LYS CA C 120 60.290 60.290 59.703 0.587 25062 685 1 . 1 1 120 120 LYS CB C 120 31.764 31.764 32.037 -0.273 25062 686 1 . 1 1 120 120 LYS H H 120 7.753 7.753 7.661 0.092 25062 687 1 . 1 1 121 121 GLU N N 121 118.446 118.446 119.540 -1.094 25062 688 1 . 1 1 121 121 GLU HA H 121 4.006 4.006 4.153 -0.147 25062 689 1 . 1 1 121 121 GLU C C 121 178.744 178.744 178.768 -0.024 25062 690 1 . 1 1 121 121 GLU CA C 121 59.539 59.539 59.202 0.337 25062 691 1 . 1 1 121 121 GLU CB C 121 29.363 29.363 29.312 0.051 25062 692 1 . 1 1 121 121 GLU H H 121 7.777 7.777 7.973 -0.196 25062 693 1 . 1 1 122 122 ALA N N 122 121.333 121.333 121.623 -0.290 25062 694 1 . 1 1 122 122 ALA HA H 122 3.956 3.956 4.145 -0.189 25062 695 1 . 1 1 122 122 ALA C C 122 179.973 179.973 179.541 0.432 25062 696 1 . 1 1 122 122 ALA CA C 122 54.960 54.960 54.747 0.213 25062 697 1 . 1 1 122 122 ALA CB C 122 18.428 18.428 18.526 -0.098 25062 698 1 . 1 1 122 122 ALA H H 122 8.229 8.229 7.538 0.691 25062 699 1 . 1 1 123 123 LEU N N 123 118.790 118.790 118.761 0.029 25062 700 1 . 1 1 123 123 LEU HA H 123 3.780 3.780 4.032 -0.252 25062 701 1 . 1 1 123 123 LEU C C 123 179.703 179.703 179.346 0.357 25062 702 1 . 1 1 123 123 LEU CA C 123 57.889 57.889 57.260 0.629 25062 703 1 . 1 1 123 123 LEU CB C 123 40.852 40.852 41.686 -0.834 25062 704 1 . 1 1 123 123 LEU H H 123 8.177 8.177 7.778 0.399 25062 705 1 . 1 1 124 124 GLU N N 124 120.881 120.881 118.808 2.073 25062 706 1 . 1 1 124 124 GLU HA H 124 4.144 4.144 4.227 -0.083 25062 707 1 . 1 1 124 124 GLU C C 124 179.732 179.732 178.927 0.805 25062 708 1 . 1 1 124 124 GLU CA C 124 59.439 59.439 59.100 0.339 25062 709 1 . 1 1 124 124 GLU CB C 124 29.520 29.520 29.563 -0.043 25062 710 1 . 1 1 124 124 GLU H H 124 8.393 8.393 8.100 0.293 25062 711 1 . 1 1 125 125 LYS N N 125 119.526 119.526 118.105 1.421 25062 712 1 . 1 1 125 125 LYS HA H 125 4.259 4.259 4.208 0.051 25062 713 1 . 1 1 125 125 LYS C C 125 177.862 177.862 178.013 -0.152 25062 714 1 . 1 1 125 125 LYS CA C 125 57.945 57.945 58.071 -0.126 25062 715 1 . 1 1 125 125 LYS CB C 125 32.357 32.357 32.383 -0.026 25062 716 1 . 1 1 125 125 LYS H H 125 8.290 8.290 7.851 0.439 25062 717 1 . 1 1 126 126 SER N N 126 114.103 114.103 112.378 1.725 25062 718 1 . 1 1 126 126 SER HA H 126 4.385 4.385 4.476 -0.091 25062 719 1 . 1 1 126 126 SER C C 126 174.460 174.460 175.414 -0.954 25062 720 1 . 1 1 126 126 SER CA C 126 59.611 59.611 58.863 0.748 25062 721 1 . 1 1 126 126 SER CB C 126 63.479 63.479 64.378 -0.899 25062 722 1 . 1 1 126 126 SER H H 126 7.702 7.702 7.659 0.043 25062 723 1 . 1 1 127 127 GLY N N 127 108.584 108.584 109.284 -0.700 25062 724 1 . 1 1 127 127 GLY C C 127 174.103 174.103 174.657 -0.554 25062 725 1 . 1 1 127 127 GLY CA C 127 45.437 45.437 45.088 0.349 25062 726 1 . 1 1 127 127 GLY H H 127 7.933 7.933 7.833 0.100 25062 727 1 . 1 1 128 128 SER N N 128 115.990 115.990 118.800 -2.810 25062 728 1 . 1 1 128 128 SER HA H 128 4.590 4.590 4.480 0.110 25062 729 1 . 1 1 128 128 SER C C 128 174.412 174.412 173.988 0.424 25062 730 1 . 1 1 128 128 SER CA C 128 57.986 57.986 59.573 -1.587 25062 731 1 . 1 1 128 128 SER CB C 128 63.336 63.336 63.204 0.132 25062 732 1 . 1 1 128 128 SER H H 128 8.091 8.091 8.021 0.070 25062 733 1 . 1 1 129 129 LEU N N 129 125.492 125.492 123.609 1.883 25062 734 1 . 1 1 129 129 LEU HA H 129 4.441 4.441 4.472 -0.031 25062 735 1 . 1 1 129 129 LEU C C 129 177.084 177.084 176.229 0.855 25062 736 1 . 1 1 129 129 LEU CA C 129 54.876 54.876 54.462 0.414 25062 737 1 . 1 1 129 129 LEU CB C 129 42.309 42.309 43.227 -0.918 25062 738 1 . 1 1 129 129 LEU H H 129 8.262 8.262 7.904 0.358 25062 739 1 . 1 1 130 130 GLU N N 130 121.006 121.006 120.705 0.301 25062 740 1 . 1 1 130 130 GLU HA H 130 3.975 3.975 4.243 -0.268 25062 741 1 . 1 1 130 130 GLU C C 130 176.435 176.435 175.874 0.561 25062 742 1 . 1 1 130 130 GLU CA C 130 56.812 56.812 56.008 0.804 25062 743 1 . 1 1 130 130 GLU CB C 130 30.279 30.279 30.241 0.037 25062 744 1 . 1 1 130 130 GLU H H 130 8.398 8.398 8.268 0.130 25062 745 1 . 1 1 131 131 HIS HA H 131 4.591 4.591 4.523 0.068 25062 746 1 . 1 1 131 131 HIS C C 131 174.179 174.179 174.775 -0.596 25062 747 1 . 1 1 131 131 HIS CA C 131 56.149 56.149 56.289 -0.141 25062 748 1 . 1 1 131 131 HIS CB C 131 30.831 30.831 29.804 1.027 25062 749 1 . 1 1 132 132 HIS N N 132 125.794 125.794 121.861 3.933 25062 750 1 . 1 1 132 132 HIS HA H 132 4.416 4.416 4.498 -0.082 25062 751 1 . 1 1 132 132 HIS C C 132 179.523 179.523 174.959 4.564 25062 752 1 . 1 1 132 132 HIS CA C 132 57.516 57.516 56.061 1.456 25062 753 1 . 1 1 132 132 HIS CB C 132 31.008 31.008 29.997 1.011 25062 754 1 . 1 1 132 132 HIS H H 132 7.935 7.935 8.257 -0.322 25062 stop_ save_