data_19391 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19391 _Entry.PDB_ID 2MB7 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 19391 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER HA H 2 4.500 4.500 4.601 -0.101 19391 2 1 1 . 1 1 2 2 SER C C 2 174.803 174.803 175.421 -0.618 19391 3 1 1 . 1 1 2 2 SER CA C 2 58.624 58.624 58.162 0.462 19391 4 1 1 . 1 1 2 2 SER CB C 2 63.986 63.986 64.275 -0.289 19391 5 1 1 . 1 1 3 3 MET N N 3 122.348 122.348 119.317 3.031 19391 6 1 1 . 1 1 3 3 MET HA H 3 4.546 4.546 4.155 0.391 19391 7 1 1 . 1 1 3 3 MET C C 3 175.969 175.969 175.340 0.629 19391 8 1 1 . 1 1 3 3 MET CA C 3 55.560 55.560 55.896 -0.336 19391 9 1 1 . 1 1 3 3 MET CB C 3 32.667 32.667 31.055 1.612 19391 10 1 1 . 1 1 3 3 MET H H 3 8.636 8.636 8.588 0.048 19391 11 1 1 . 1 1 4 4 GLU N N 4 121.792 121.792 119.045 2.747 19391 12 1 1 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.208 0.095 19391 13 1 1 . 1 1 4 4 GLU C C 4 175.884 175.884 175.917 -0.033 19391 14 1 1 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.873 -0.342 19391 15 1 1 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.328 0.266 19391 16 1 1 . 1 1 4 4 GLU H H 4 8.337 8.337 8.406 -0.069 19391 17 1 1 . 1 1 5 5 ARG N N 5 122.592 122.592 121.036 1.556 19391 18 1 1 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.992 -0.463 19391 19 1 1 . 1 1 5 5 ARG C C 5 175.556 175.556 175.749 -0.193 19391 20 1 1 . 1 1 5 5 ARG CA C 5 56.007 56.007 54.545 1.462 19391 21 1 1 . 1 1 5 5 ARG CB C 5 31.177 31.177 32.230 -1.053 19391 22 1 1 . 1 1 5 5 ARG H H 5 8.319 8.319 8.351 -0.032 19391 23 1 1 . 1 1 6 6 LYS N N 6 123.750 123.750 123.355 0.395 19391 24 1 1 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.320 0.085 19391 25 1 1 . 1 1 6 6 LYS C C 6 174.335 174.335 174.778 -0.443 19391 26 1 1 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.406 0.181 19391 27 1 1 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.443 1.255 19391 28 1 1 . 1 1 6 6 LYS H H 6 8.372 8.372 8.275 0.097 19391 29 1 1 . 1 1 7 7 ARG N N 7 121.789 121.789 121.209 0.580 19391 30 1 1 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.575 0.450 19391 31 1 1 . 1 1 7 7 ARG C C 7 174.998 174.998 174.438 0.560 19391 32 1 1 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.535 -0.658 19391 33 1 1 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.954 1.131 19391 34 1 1 . 1 1 7 7 ARG H H 7 7.894 7.894 8.232 -0.338 19391 35 1 1 . 1 1 8 8 TRP N N 8 122.774 122.774 125.982 -3.208 19391 36 1 1 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.007 -0.036 19391 37 1 1 . 1 1 8 8 TRP C C 8 175.679 175.679 175.531 0.148 19391 38 1 1 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.089 2.253 19391 39 1 1 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.747 2.297 19391 40 1 1 . 1 1 8 8 TRP H H 8 9.002 9.002 7.909 1.093 19391 41 1 1 . 1 1 9 9 GLU N N 9 121.587 121.587 120.251 1.336 19391 42 1 1 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.402 0.072 19391 43 1 1 . 1 1 9 9 GLU C C 9 176.133 176.133 175.985 0.148 19391 44 1 1 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.226 1.261 19391 45 1 1 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.392 -0.138 19391 46 1 1 . 1 1 9 9 GLU H H 9 8.879 8.879 8.757 0.122 19391 47 1 1 . 1 1 10 10 CYS N N 10 122.770 122.770 123.045 -0.275 19391 48 1 1 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.145 0.080 19391 49 1 1 . 1 1 10 10 CYS C C 10 173.480 173.480 174.473 -0.993 19391 50 1 1 . 1 1 10 10 CYS CA C 10 56.051 56.051 56.396 -0.345 19391 51 1 1 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.750 0.525 19391 52 1 1 . 1 1 10 10 CYS H H 10 8.351 8.351 8.832 -0.481 19391 53 1 1 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.309 0.335 19391 54 1 1 . 1 1 11 11 PRO C C 11 176.160 176.160 177.222 -1.062 19391 55 1 1 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.483 0.281 19391 56 1 1 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.997 0.208 19391 57 1 1 . 1 1 12 12 ALA N N 12 118.459 118.459 118.016 0.443 19391 58 1 1 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.141 0.123 19391 59 1 1 . 1 1 12 12 ALA C C 12 176.998 176.998 177.603 -0.605 19391 60 1 1 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.002 0.172 19391 61 1 1 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.263 0.933 19391 62 1 1 . 1 1 12 12 ALA H H 12 7.635 7.635 8.268 -0.633 19391 63 1 1 . 1 1 13 13 LEU N N 13 117.171 117.171 119.030 -1.859 19391 64 1 1 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.398 -0.083 19391 65 1 1 . 1 1 13 13 LEU C C 13 173.277 173.277 174.290 -1.013 19391 66 1 1 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.816 0.341 19391 67 1 1 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.175 -0.195 19391 68 1 1 . 1 1 13 13 LEU H H 13 7.449 7.449 7.244 0.205 19391 69 1 1 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.329 0.105 19391 70 1 1 . 1 1 14 14 PRO C C 14 174.999 174.999 176.084 -1.085 19391 71 1 1 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.811 -0.113 19391 72 1 1 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.115 -0.305 19391 73 1 1 . 1 1 15 15 GLN N N 15 120.091 120.091 121.990 -1.899 19391 74 1 1 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.138 0.011 19391 75 1 1 . 1 1 15 15 GLN C C 15 177.099 177.099 177.259 -0.160 19391 76 1 1 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.686 0.647 19391 77 1 1 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.495 0.360 19391 78 1 1 . 1 1 15 15 GLN H H 15 8.368 8.368 8.609 -0.241 19391 79 1 1 . 1 1 16 16 GLY N N 16 113.023 113.023 109.715 3.308 19391 80 1 1 . 1 1 16 16 GLY C C 16 174.735 174.735 174.058 0.677 19391 81 1 1 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.719 0.574 19391 82 1 1 . 1 1 16 16 GLY H H 16 8.828 8.828 8.814 0.014 19391 83 1 1 . 1 1 17 17 TRP N N 17 121.152 121.152 121.917 -0.765 19391 84 1 1 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.434 -0.617 19391 85 1 1 . 1 1 17 17 TRP C C 17 177.275 177.275 176.054 1.221 19391 86 1 1 . 1 1 17 17 TRP CA C 17 59.153 59.153 56.491 2.662 19391 87 1 1 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.532 -0.242 19391 88 1 1 . 1 1 17 17 TRP H H 17 8.006 8.006 7.962 0.044 19391 89 1 1 . 1 1 18 18 GLU N N 18 120.147 120.147 119.033 1.114 19391 90 1 1 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.902 0.353 19391 91 1 1 . 1 1 18 18 GLU C C 18 174.373 174.373 174.468 -0.095 19391 92 1 1 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.813 -0.722 19391 93 1 1 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.786 0.589 19391 94 1 1 . 1 1 18 18 GLU H H 18 8.934 8.934 8.620 0.314 19391 95 1 1 . 1 1 19 19 ARG N N 19 122.215 122.215 120.825 1.390 19391 96 1 1 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.726 0.280 19391 97 1 1 . 1 1 19 19 ARG C C 19 174.040 174.040 174.645 -0.605 19391 98 1 1 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.377 -0.011 19391 99 1 1 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.086 0.804 19391 100 1 1 . 1 1 19 19 ARG H H 19 9.300 9.300 8.830 0.470 19391 101 1 1 . 1 1 20 20 GLU N N 20 127.885 127.885 120.572 7.313 19391 102 1 1 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.530 0.755 19391 103 1 1 . 1 1 20 20 GLU C C 20 173.582 173.582 173.884 -0.302 19391 104 1 1 . 1 1 20 20 GLU CA C 20 54.454 54.454 55.400 -0.946 19391 105 1 1 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.778 1.794 19391 106 1 1 . 1 1 20 20 GLU H H 20 9.460 9.460 8.075 1.385 19391 107 1 1 . 1 1 21 21 GLU N N 21 123.590 123.590 123.901 -0.311 19391 108 1 1 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.942 0.376 19391 109 1 1 . 1 1 21 21 GLU C C 21 176.091 176.091 174.902 1.189 19391 110 1 1 . 1 1 21 21 GLU CA C 21 54.458 54.458 54.654 -0.196 19391 111 1 1 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.458 0.394 19391 112 1 1 . 1 1 21 21 GLU H H 21 8.580 8.580 7.912 0.668 19391 113 1 1 . 1 1 22 22 VAL N N 22 123.718 123.718 124.913 -1.195 19391 114 1 1 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.689 0.079 19391 115 1 1 . 1 1 22 22 VAL C C 22 169.573 169.573 173.543 -3.970 19391 116 1 1 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.703 0.286 19391 117 1 1 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.630 0.629 19391 118 1 1 . 1 1 22 22 VAL H H 22 9.177 9.177 8.974 0.203 19391 119 1 1 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.567 0.188 19391 120 1 1 . 1 1 23 23 PRO C C 23 176.679 176.679 176.641 0.038 19391 121 1 1 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.117 0.347 19391 122 1 1 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.807 0.291 19391 123 1 1 . 1 1 24 24 ARG N N 24 123.629 123.629 122.969 0.660 19391 124 1 1 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.465 0.023 19391 125 1 1 . 1 1 24 24 ARG C C 24 177.926 177.926 176.568 1.358 19391 126 1 1 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.191 1.239 19391 127 1 1 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.684 -0.696 19391 128 1 1 . 1 1 24 24 ARG H H 24 8.726 8.726 8.956 -0.230 19391 129 1 1 . 1 1 25 25 ARG N N 25 124.327 124.327 119.828 4.499 19391 130 1 1 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.501 -0.158 19391 131 1 1 . 1 1 25 25 ARG C C 25 176.213 176.213 174.920 1.293 19391 132 1 1 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.648 1.822 19391 133 1 1 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.819 0.389 19391 134 1 1 . 1 1 25 25 ARG H H 25 9.070 9.070 8.604 0.466 19391 135 1 1 . 1 1 26 26 SER N N 26 114.348 114.348 117.692 -3.344 19391 136 1 1 . 1 1 26 26 SER HA H 26 4.652 4.652 4.590 0.062 19391 137 1 1 . 1 1 26 26 SER C C 26 173.704 173.704 174.521 -0.817 19391 138 1 1 . 1 1 26 26 SER CA C 26 57.727 57.727 57.878 -0.151 19391 139 1 1 . 1 1 26 26 SER CB C 26 65.099 65.099 63.659 1.440 19391 140 1 1 . 1 1 26 26 SER H H 26 8.071 8.071 7.696 0.375 19391 141 1 1 . 1 1 27 27 GLY N N 27 108.224 108.224 114.955 -6.731 19391 142 1 1 . 1 1 27 27 GLY C C 27 175.321 175.321 175.840 -0.519 19391 143 1 1 . 1 1 27 27 GLY CA C 27 45.163 45.163 46.546 -1.383 19391 144 1 1 . 1 1 27 27 GLY H H 27 8.433 8.433 8.397 0.036 19391 145 1 1 . 1 1 28 28 LEU N N 28 122.251 122.251 122.255 -0.004 19391 146 1 1 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.150 0.099 19391 147 1 1 . 1 1 28 28 LEU C C 28 178.691 178.691 177.957 0.734 19391 148 1 1 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.828 -0.035 19391 149 1 1 . 1 1 28 28 LEU CB C 28 42.183 42.183 41.993 0.190 19391 150 1 1 . 1 1 28 28 LEU H H 28 8.752 8.752 8.301 0.451 19391 151 1 1 . 1 1 29 29 SER N N 29 113.375 113.375 112.801 0.574 19391 152 1 1 . 1 1 29 29 SER HA H 29 4.440 4.440 4.458 -0.018 19391 153 1 1 . 1 1 29 29 SER C C 29 173.707 173.707 174.522 -0.815 19391 154 1 1 . 1 1 29 29 SER CA C 29 57.782 57.782 59.138 -1.356 19391 155 1 1 . 1 1 29 29 SER CB C 29 63.353 63.353 62.667 0.686 19391 156 1 1 . 1 1 29 29 SER H H 29 8.397 8.397 8.017 0.380 19391 157 1 1 . 1 1 30 30 ALA N N 30 124.539 124.539 122.379 2.160 19391 158 1 1 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.573 -0.661 19391 159 1 1 . 1 1 30 30 ALA C C 30 178.198 178.198 177.947 0.251 19391 160 1 1 . 1 1 30 30 ALA CA C 30 53.576 53.576 51.746 1.830 19391 161 1 1 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.406 -0.984 19391 162 1 1 . 1 1 30 30 ALA H H 30 7.623 7.623 7.387 0.236 19391 163 1 1 . 1 1 31 31 GLY N N 31 109.642 109.642 108.814 0.828 19391 164 1 1 . 1 1 31 31 GLY C C 31 174.534 174.534 174.058 0.476 19391 165 1 1 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.795 -0.553 19391 166 1 1 . 1 1 31 31 GLY H H 31 8.713 8.713 8.416 0.297 19391 167 1 1 . 1 1 32 32 HIS N N 32 119.677 119.677 121.781 -2.104 19391 168 1 1 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.481 0.083 19391 169 1 1 . 1 1 32 32 HIS C C 32 174.544 174.544 174.486 0.058 19391 170 1 1 . 1 1 32 32 HIS CA C 32 56.416 56.416 57.493 -1.077 19391 171 1 1 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.314 -0.728 19391 172 1 1 . 1 1 32 32 HIS H H 32 8.304 8.304 7.819 0.485 19391 173 1 1 . 1 1 33 33 ARG N N 33 124.677 124.677 123.601 1.076 19391 174 1 1 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.888 -0.283 19391 175 1 1 . 1 1 33 33 ARG C C 33 174.869 174.869 175.331 -0.462 19391 176 1 1 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.127 0.635 19391 177 1 1 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.260 -1.060 19391 178 1 1 . 1 1 33 33 ARG H H 33 8.731 8.731 8.603 0.128 19391 179 1 1 . 1 1 34 34 ASP N N 34 124.378 124.378 124.491 -0.113 19391 180 1 1 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.789 0.087 19391 181 1 1 . 1 1 34 34 ASP C C 34 174.057 174.057 174.509 -0.452 19391 182 1 1 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.228 1.817 19391 183 1 1 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.553 0.299 19391 184 1 1 . 1 1 34 34 ASP H H 34 8.387 8.387 8.838 -0.451 19391 185 1 1 . 1 1 35 35 VAL N N 35 121.095 121.095 122.543 -1.448 19391 186 1 1 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.626 0.124 19391 187 1 1 . 1 1 35 35 VAL C C 35 173.600 173.600 174.359 -0.759 19391 188 1 1 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.773 0.584 19391 189 1 1 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.182 0.896 19391 190 1 1 . 1 1 35 35 VAL H H 35 8.023 8.023 8.111 -0.088 19391 191 1 1 . 1 1 36 36 PHE N N 36 122.163 122.163 124.472 -2.309 19391 192 1 1 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.703 0.895 19391 193 1 1 . 1 1 36 36 PHE C C 36 174.164 174.164 173.955 0.209 19391 194 1 1 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.195 -1.487 19391 195 1 1 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.029 1.948 19391 196 1 1 . 1 1 36 36 PHE H H 36 8.710 8.710 8.488 0.222 19391 197 1 1 . 1 1 37 37 TYR N N 37 116.406 116.406 118.061 -1.655 19391 198 1 1 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.011 0.676 19391 199 1 1 . 1 1 37 37 TYR C C 37 174.694 174.694 174.203 0.491 19391 200 1 1 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.953 0.911 19391 201 1 1 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.413 2.064 19391 202 1 1 . 1 1 37 37 TYR H H 37 8.552 8.552 8.106 0.446 19391 203 1 1 . 1 1 38 38 TYR N N 38 118.594 118.594 119.208 -0.614 19391 204 1 1 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.532 0.212 19391 205 1 1 . 1 1 38 38 TYR C C 38 175.481 175.481 175.757 -0.276 19391 206 1 1 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.089 -0.139 19391 207 1 1 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.201 0.086 19391 208 1 1 . 1 1 38 38 TYR H H 38 9.445 9.445 8.689 0.756 19391 209 1 1 . 1 1 39 39 SER N N 39 118.327 118.327 118.102 0.225 19391 210 1 1 . 1 1 39 39 SER HA H 39 2.098 2.098 3.872 -1.774 19391 211 1 1 . 1 1 39 39 SER C C 39 174.399 174.399 174.056 0.343 19391 212 1 1 . 1 1 39 39 SER CA C 39 55.375 55.375 55.590 -0.215 19391 213 1 1 . 1 1 39 39 SER CB C 39 62.873 62.873 61.671 1.202 19391 214 1 1 . 1 1 39 39 SER H H 39 8.808 8.808 8.118 0.690 19391 215 1 1 . 1 1 41 41 SER HA H 41 4.452 4.452 4.422 0.030 19391 216 1 1 . 1 1 41 41 SER C C 41 174.963 174.963 175.298 -0.335 19391 217 1 1 . 1 1 41 41 SER CA C 41 57.861 57.861 57.761 0.100 19391 218 1 1 . 1 1 41 41 SER CB C 41 63.763 63.763 63.253 0.510 19391 219 1 1 . 1 1 42 42 GLY N N 42 111.741 111.741 110.289 1.452 19391 220 1 1 . 1 1 42 42 GLY C C 42 173.938 173.938 174.159 -0.221 19391 221 1 1 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.332 0.097 19391 222 1 1 . 1 1 42 42 GLY H H 42 8.292 8.292 8.042 0.250 19391 223 1 1 . 1 1 43 43 LYS N N 43 122.381 122.381 121.237 1.144 19391 224 1 1 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.276 -0.185 19391 225 1 1 . 1 1 43 43 LYS C C 43 174.049 174.049 175.687 -1.638 19391 226 1 1 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.177 0.332 19391 227 1 1 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.213 -0.423 19391 228 1 1 . 1 1 43 43 LYS H H 43 7.361 7.361 7.586 -0.225 19391 229 1 1 . 1 1 44 44 LYS N N 44 125.831 125.831 128.643 -2.812 19391 230 1 1 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.730 -0.236 19391 231 1 1 . 1 1 44 44 LYS C C 44 175.970 175.970 175.529 0.441 19391 232 1 1 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.768 -0.059 19391 233 1 1 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.435 2.205 19391 234 1 1 . 1 1 44 44 LYS H H 44 8.078 8.078 8.573 -0.495 19391 235 1 1 . 1 1 45 45 PHE N N 45 124.636 124.636 122.563 2.073 19391 236 1 1 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.997 -0.215 19391 237 1 1 . 1 1 45 45 PHE C C 45 176.205 176.205 173.770 2.435 19391 238 1 1 . 1 1 45 45 PHE CA C 45 57.953 57.953 55.498 2.455 19391 239 1 1 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.772 1.204 19391 240 1 1 . 1 1 45 45 PHE H H 45 9.707 9.707 7.968 1.739 19391 241 1 1 . 1 1 46 46 ARG N N 46 117.959 117.959 121.120 -3.161 19391 242 1 1 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.774 0.626 19391 243 1 1 . 1 1 46 46 ARG C C 46 175.059 175.059 174.375 0.684 19391 244 1 1 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.544 -0.222 19391 245 1 1 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.381 3.002 19391 246 1 1 . 1 1 46 46 ARG H H 46 9.430 9.430 8.722 0.708 19391 247 1 1 . 1 1 47 47 SER N N 47 115.115 115.115 117.115 -2.000 19391 248 1 1 . 1 1 47 47 SER HA H 47 4.069 4.069 4.375 -0.306 19391 249 1 1 . 1 1 47 47 SER C C 47 172.762 172.762 174.183 -1.421 19391 250 1 1 . 1 1 47 47 SER CA C 47 56.797 56.797 57.582 -0.785 19391 251 1 1 . 1 1 47 47 SER CB C 47 66.892 66.892 66.160 0.732 19391 252 1 1 . 1 1 47 47 SER H H 47 7.926 7.926 8.033 -0.107 19391 253 1 1 . 1 1 48 48 LYS N N 48 122.914 122.914 127.264 -4.350 19391 254 1 1 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.070 0.029 19391 255 1 1 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.605 0.965 19391 256 1 1 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.861 -0.611 19391 257 1 1 . 1 1 48 48 LYS H H 48 8.994 8.994 8.547 0.447 19391 258 1 1 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.241 0.143 19391 259 1 1 . 1 1 49 49 PRO C C 49 179.505 179.505 179.246 0.259 19391 260 1 1 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.833 0.429 19391 261 1 1 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.055 0.199 19391 262 1 1 . 1 1 50 50 GLN N N 50 116.141 116.141 116.659 -0.518 19391 263 1 1 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.171 -0.012 19391 264 1 1 . 1 1 50 50 GLN C C 50 179.539 179.539 178.777 0.762 19391 265 1 1 . 1 1 50 50 GLN CA C 50 59.213 59.213 59.140 0.073 19391 266 1 1 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.161 1.204 19391 267 1 1 . 1 1 50 50 GLN H H 50 7.333 7.333 8.809 -1.476 19391 268 1 1 . 1 1 51 51 LEU N N 51 122.318 122.318 120.577 1.741 19391 269 1 1 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.044 -0.232 19391 270 1 1 . 1 1 51 51 LEU C C 51 177.948 177.948 178.522 -0.574 19391 271 1 1 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.878 0.266 19391 272 1 1 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.771 1.680 19391 273 1 1 . 1 1 51 51 LEU H H 51 7.957 7.957 7.746 0.211 19391 274 1 1 . 1 1 52 52 ALA N N 52 120.627 120.627 121.261 -0.634 19391 275 1 1 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.995 -0.085 19391 276 1 1 . 1 1 52 52 ALA C C 52 181.360 181.360 179.166 2.194 19391 277 1 1 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.857 0.037 19391 278 1 1 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.603 -0.417 19391 279 1 1 . 1 1 52 52 ALA H H 52 9.134 9.134 7.870 1.264 19391 280 1 1 . 1 1 53 53 ARG N N 53 118.087 118.087 119.092 -1.005 19391 281 1 1 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.954 0.156 19391 282 1 1 . 1 1 53 53 ARG C C 53 178.186 178.186 178.464 -0.278 19391 283 1 1 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.294 0.002 19391 284 1 1 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.296 0.259 19391 285 1 1 . 1 1 53 53 ARG H H 53 8.095 8.095 8.250 -0.155 19391 286 1 1 . 1 1 54 54 TYR N N 54 119.692 119.692 118.898 0.794 19391 287 1 1 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.230 0.147 19391 288 1 1 . 1 1 54 54 TYR C C 54 177.809 177.809 177.445 0.364 19391 289 1 1 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.367 -0.025 19391 290 1 1 . 1 1 54 54 TYR CB C 54 40.399 40.399 39.138 1.261 19391 291 1 1 . 1 1 54 54 TYR H H 54 7.584 7.584 8.032 -0.448 19391 292 1 1 . 1 1 55 55 LEU N N 55 117.313 117.313 116.530 0.783 19391 293 1 1 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.497 -0.343 19391 294 1 1 . 1 1 55 55 LEU C C 55 178.784 178.784 178.321 0.463 19391 295 1 1 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.224 1.563 19391 296 1 1 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.255 1.528 19391 297 1 1 . 1 1 55 55 LEU H H 55 8.279 8.279 8.076 0.203 19391 298 1 1 . 1 1 56 56 GLY N N 56 108.526 108.526 109.746 -1.220 19391 299 1 1 . 1 1 56 56 GLY C C 56 174.749 174.749 176.458 -1.709 19391 300 1 1 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.592 -0.841 19391 301 1 1 . 1 1 56 56 GLY H H 56 7.911 7.911 8.255 -0.344 19391 302 1 1 . 1 1 57 57 GLY N N 57 109.514 109.514 109.842 -0.328 19391 303 1 1 . 1 1 57 57 GLY C C 57 175.034 175.034 176.011 -0.977 19391 304 1 1 . 1 1 57 57 GLY CA C 57 45.648 45.648 46.936 -1.288 19391 305 1 1 . 1 1 57 57 GLY H H 57 8.644 8.644 8.606 0.038 19391 306 1 1 . 1 1 58 58 SER N N 58 114.666 114.666 115.846 -1.180 19391 307 1 1 . 1 1 58 58 SER HA H 58 4.355 4.355 4.173 0.182 19391 308 1 1 . 1 1 58 58 SER C C 58 173.748 173.748 174.386 -0.638 19391 309 1 1 . 1 1 58 58 SER CA C 58 60.013 60.013 60.242 -0.229 19391 310 1 1 . 1 1 58 58 SER CB C 58 64.173 64.173 63.581 0.592 19391 311 1 1 . 1 1 58 58 SER H H 58 8.058 8.058 8.248 -0.190 19391 312 1 1 . 1 1 59 59 MET N N 59 118.467 118.467 112.450 6.017 19391 313 1 1 . 1 1 59 59 MET HA H 59 4.475 4.475 4.558 -0.083 19391 314 1 1 . 1 1 59 59 MET C C 59 172.909 172.909 172.891 0.018 19391 315 1 1 . 1 1 59 59 MET CA C 59 56.185 56.185 55.030 1.155 19391 316 1 1 . 1 1 59 59 MET CB C 59 35.552 35.552 34.685 0.867 19391 317 1 1 . 1 1 59 59 MET H H 59 7.442 7.442 7.704 -0.262 19391 318 1 1 . 1 1 60 60 ASP N N 60 121.779 121.779 120.731 1.048 19391 319 1 1 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.945 -0.251 19391 320 1 1 . 1 1 60 60 ASP C C 60 176.867 176.867 175.874 0.993 19391 321 1 1 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.846 -0.565 19391 322 1 1 . 1 1 60 60 ASP CB C 60 40.980 40.980 41.414 -0.434 19391 323 1 1 . 1 1 60 60 ASP H H 60 8.401 8.401 8.448 -0.047 19391 324 1 1 . 1 1 61 61 LEU N N 61 126.474 126.474 124.573 1.901 19391 325 1 1 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.749 -0.355 19391 326 1 1 . 1 1 61 61 LEU C C 61 178.536 178.536 177.688 0.848 19391 327 1 1 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.459 -0.420 19391 328 1 1 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.238 -0.625 19391 329 1 1 . 1 1 61 61 LEU H H 61 9.015 9.015 8.489 0.526 19391 330 1 1 . 1 1 62 62 SER N N 62 120.014 120.014 116.605 3.409 19391 331 1 1 . 1 1 62 62 SER HA H 62 4.125 4.125 4.281 -0.156 19391 332 1 1 . 1 1 62 62 SER C C 62 176.669 176.669 175.312 1.357 19391 333 1 1 . 1 1 62 62 SER CA C 62 63.345 63.345 61.140 2.205 19391 334 1 1 . 1 1 62 62 SER CB C 62 62.553 62.553 62.710 -0.157 19391 335 1 1 . 1 1 62 62 SER H H 62 8.871 8.871 8.062 0.809 19391 336 1 1 . 1 1 63 63 THR N N 63 110.495 110.495 112.868 -2.373 19391 337 1 1 . 1 1 63 63 THR HA H 63 4.510 4.510 4.419 0.091 19391 338 1 1 . 1 1 63 63 THR C C 63 173.862 173.862 173.673 0.189 19391 339 1 1 . 1 1 63 63 THR CA C 63 61.006 61.006 61.514 -0.508 19391 340 1 1 . 1 1 63 63 THR CB C 63 67.976 67.976 68.458 -0.482 19391 341 1 1 . 1 1 63 63 THR H H 63 8.363 8.363 7.837 0.526 19391 342 1 1 . 1 1 64 64 PHE N N 64 123.605 123.605 123.876 -0.271 19391 343 1 1 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.684 -0.068 19391 344 1 1 . 1 1 64 64 PHE C C 64 173.716 173.716 174.208 -0.492 19391 345 1 1 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.557 0.460 19391 346 1 1 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.567 -0.623 19391 347 1 1 . 1 1 64 64 PHE H H 64 7.472 7.472 8.184 -0.712 19391 348 1 1 . 1 1 65 65 ASP N N 65 129.564 129.564 127.205 2.359 19391 349 1 1 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.500 0.027 19391 350 1 1 . 1 1 65 65 ASP C C 65 173.973 173.973 175.261 -1.288 19391 351 1 1 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.286 0.527 19391 352 1 1 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.432 0.516 19391 353 1 1 . 1 1 65 65 ASP H H 65 8.574 8.574 8.430 0.144 19391 354 1 1 . 1 1 66 66 PHE N N 66 128.221 128.221 128.248 -0.027 19391 355 1 1 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.351 -0.694 19391 356 1 1 . 1 1 66 66 PHE C C 66 177.535 177.535 176.618 0.917 19391 357 1 1 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.889 0.857 19391 358 1 1 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.829 1.413 19391 359 1 1 . 1 1 66 66 PHE H H 66 8.886 8.886 8.425 0.461 19391 360 1 1 . 1 1 67 67 ARG N N 67 116.246 116.246 116.885 -0.639 19391 361 1 1 . 1 1 67 67 ARG HA H 67 4.761 4.761 3.974 0.787 19391 362 1 1 . 1 1 67 67 ARG C C 67 178.024 178.024 178.189 -0.165 19391 363 1 1 . 1 1 67 67 ARG CA C 67 59.661 59.661 59.157 0.504 19391 364 1 1 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.897 -0.168 19391 365 1 1 . 1 1 67 67 ARG H H 67 8.804 8.804 8.286 0.518 19391 366 1 1 . 1 1 68 68 THR N N 68 105.409 105.409 107.542 -2.133 19391 367 1 1 . 1 1 68 68 THR HA H 68 4.199 4.199 4.516 -0.317 19391 368 1 1 . 1 1 68 68 THR C C 68 176.417 176.417 175.463 0.954 19391 369 1 1 . 1 1 68 68 THR CA C 68 62.233 62.233 61.978 0.255 19391 370 1 1 . 1 1 68 68 THR CB C 68 71.221 71.221 70.095 1.126 19391 371 1 1 . 1 1 68 68 THR H H 68 7.407 7.407 8.127 -0.720 19391 372 1 1 . 1 1 69 69 GLY N N 69 113.199 113.199 111.467 1.732 19391 373 1 1 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.915 1.299 19391 374 1 1 . 1 1 69 69 GLY H H 69 8.344 8.344 8.103 0.241 19391 375 1 1 . 1 1 70 70 LYS N N 70 116.533 116.533 117.380 -0.847 19391 376 1 1 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.708 -0.310 19391 377 1 1 . 1 1 70 70 LYS C C 70 175.022 175.022 175.053 -0.031 19391 378 1 1 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.673 0.940 19391 379 1 1 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.436 -1.361 19391 380 1 1 . 1 1 70 70 LYS H H 70 6.887 6.887 7.000 -0.113 19391 381 1 1 . 1 1 71 71 MET N N 71 119.590 119.590 123.094 -3.504 19391 382 1 1 . 1 1 71 71 MET HA H 71 4.770 4.770 4.693 0.077 19391 383 1 1 . 1 1 71 71 MET C C 71 175.810 175.810 174.816 0.994 19391 384 1 1 . 1 1 71 71 MET CA C 71 54.296 54.296 56.104 -1.808 19391 385 1 1 . 1 1 71 71 MET CB C 71 32.118 32.118 33.448 -1.330 19391 386 1 1 . 1 1 71 71 MET H H 71 8.423 8.423 8.726 -0.303 19391 387 1 2 . 1 1 2 2 SER HA H 2 4.500 4.500 4.459 0.041 19391 388 1 2 . 1 1 2 2 SER C C 2 174.803 174.803 174.371 0.432 19391 389 1 2 . 1 1 2 2 SER CA C 2 58.624 58.624 58.460 0.164 19391 390 1 2 . 1 1 2 2 SER CB C 2 63.986 63.986 63.738 0.248 19391 391 1 2 . 1 1 3 3 MET N N 3 122.348 122.348 126.290 -3.942 19391 392 1 2 . 1 1 3 3 MET HA H 3 4.546 4.546 4.620 -0.074 19391 393 1 2 . 1 1 3 3 MET C C 3 175.969 175.969 175.024 0.945 19391 394 1 2 . 1 1 3 3 MET CA C 3 55.560 55.560 55.666 -0.106 19391 395 1 2 . 1 1 3 3 MET CB C 3 32.667 32.667 33.151 -0.484 19391 396 1 2 . 1 1 3 3 MET H H 3 8.636 8.636 8.506 0.130 19391 397 1 2 . 1 1 4 4 GLU N N 4 121.792 121.792 125.686 -3.894 19391 398 1 2 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.566 -0.263 19391 399 1 2 . 1 1 4 4 GLU C C 4 175.884 175.884 174.626 1.258 19391 400 1 2 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.438 0.093 19391 401 1 2 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.901 -0.307 19391 402 1 2 . 1 1 4 4 GLU H H 4 8.337 8.337 8.697 -0.360 19391 403 1 2 . 1 1 5 5 ARG N N 5 122.592 122.592 122.576 0.016 19391 404 1 2 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.692 -0.163 19391 405 1 2 . 1 1 5 5 ARG C C 5 175.556 175.556 175.959 -0.403 19391 406 1 2 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.202 0.805 19391 407 1 2 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.449 -0.272 19391 408 1 2 . 1 1 5 5 ARG H H 5 8.319 8.319 8.196 0.123 19391 409 1 2 . 1 1 6 6 LYS N N 6 123.750 123.750 126.406 -2.656 19391 410 1 2 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.173 0.232 19391 411 1 2 . 1 1 6 6 LYS C C 6 174.335 174.335 174.238 0.097 19391 412 1 2 . 1 1 6 6 LYS CA C 6 55.587 55.587 54.739 0.848 19391 413 1 2 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.709 1.988 19391 414 1 2 . 1 1 6 6 LYS H H 6 8.372 8.372 7.951 0.421 19391 415 1 2 . 1 1 7 7 ARG N N 7 121.789 121.789 126.341 -4.552 19391 416 1 2 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.319 0.706 19391 417 1 2 . 1 1 7 7 ARG C C 7 174.998 174.998 175.095 -0.097 19391 418 1 2 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.953 -0.076 19391 419 1 2 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.418 1.667 19391 420 1 2 . 1 1 7 7 ARG H H 7 7.894 7.894 8.212 -0.318 19391 421 1 2 . 1 1 8 8 TRP N N 8 122.774 122.774 125.939 -3.165 19391 422 1 2 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.071 -0.100 19391 423 1 2 . 1 1 8 8 TRP C C 8 175.679 175.679 175.192 0.487 19391 424 1 2 . 1 1 8 8 TRP CA C 8 56.342 56.342 53.969 2.373 19391 425 1 2 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.449 2.595 19391 426 1 2 . 1 1 8 8 TRP H H 8 9.002 9.002 8.546 0.456 19391 427 1 2 . 1 1 9 9 GLU N N 9 121.587 121.587 122.682 -1.095 19391 428 1 2 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.258 0.216 19391 429 1 2 . 1 1 9 9 GLU C C 9 176.133 176.133 176.698 -0.565 19391 430 1 2 . 1 1 9 9 GLU CA C 9 57.487 57.487 57.316 0.171 19391 431 1 2 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.643 -0.389 19391 432 1 2 . 1 1 9 9 GLU H H 9 8.879 8.879 8.816 0.063 19391 433 1 2 . 1 1 10 10 CYS N N 10 122.770 122.770 126.195 -3.425 19391 434 1 2 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.911 0.314 19391 435 1 2 . 1 1 10 10 CYS C C 10 173.480 173.480 173.929 -0.449 19391 436 1 2 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.567 0.484 19391 437 1 2 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.906 0.369 19391 438 1 2 . 1 1 10 10 CYS H H 10 8.351 8.351 8.241 0.110 19391 439 1 2 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.370 0.274 19391 440 1 2 . 1 1 11 11 PRO C C 11 176.160 176.160 176.867 -0.707 19391 441 1 2 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.404 0.360 19391 442 1 2 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.268 -0.063 19391 443 1 2 . 1 1 12 12 ALA N N 12 118.459 118.459 122.250 -3.791 19391 444 1 2 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.181 0.083 19391 445 1 2 . 1 1 12 12 ALA C C 12 176.998 176.998 177.424 -0.426 19391 446 1 2 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.363 -0.189 19391 447 1 2 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.047 1.149 19391 448 1 2 . 1 1 12 12 ALA H H 12 7.635 7.635 8.171 -0.536 19391 449 1 2 . 1 1 13 13 LEU N N 13 117.171 117.171 118.407 -1.236 19391 450 1 2 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.183 0.132 19391 451 1 2 . 1 1 13 13 LEU C C 13 173.277 173.277 174.976 -1.699 19391 452 1 2 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.208 -0.051 19391 453 1 2 . 1 1 13 13 LEU CB C 13 40.980 40.980 40.994 -0.014 19391 454 1 2 . 1 1 13 13 LEU H H 13 7.449 7.449 7.845 -0.396 19391 455 1 2 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.391 0.043 19391 456 1 2 . 1 1 14 14 PRO C C 14 174.999 174.999 176.223 -1.224 19391 457 1 2 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.948 -0.250 19391 458 1 2 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.302 -0.491 19391 459 1 2 . 1 1 15 15 GLN N N 15 120.091 120.091 119.115 0.976 19391 460 1 2 . 1 1 15 15 GLN HA H 15 4.149 4.149 3.962 0.187 19391 461 1 2 . 1 1 15 15 GLN C C 15 177.099 177.099 176.976 0.123 19391 462 1 2 . 1 1 15 15 GLN CA C 15 58.333 58.333 56.900 1.433 19391 463 1 2 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.130 0.726 19391 464 1 2 . 1 1 15 15 GLN H H 15 8.368 8.368 8.485 -0.117 19391 465 1 2 . 1 1 16 16 GLY N N 16 113.023 113.023 111.494 1.529 19391 466 1 2 . 1 1 16 16 GLY C C 16 174.735 174.735 174.477 0.258 19391 467 1 2 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.427 0.866 19391 468 1 2 . 1 1 16 16 GLY H H 16 8.828 8.828 8.397 0.431 19391 469 1 2 . 1 1 17 17 TRP N N 17 121.152 121.152 123.715 -2.563 19391 470 1 2 . 1 1 17 17 TRP HA H 17 4.817 4.817 4.908 -0.091 19391 471 1 2 . 1 1 17 17 TRP C C 17 177.275 177.275 176.037 1.238 19391 472 1 2 . 1 1 17 17 TRP CA C 17 59.153 59.153 58.142 1.011 19391 473 1 2 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.009 0.281 19391 474 1 2 . 1 1 17 17 TRP H H 17 8.006 8.006 8.020 -0.014 19391 475 1 2 . 1 1 18 18 GLU N N 18 120.147 120.147 119.048 1.099 19391 476 1 2 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.999 0.256 19391 477 1 2 . 1 1 18 18 GLU C C 18 174.373 174.373 174.611 -0.238 19391 478 1 2 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.806 -0.716 19391 479 1 2 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.930 0.445 19391 480 1 2 . 1 1 18 18 GLU H H 18 8.934 8.934 8.753 0.181 19391 481 1 2 . 1 1 19 19 ARG N N 19 122.215 122.215 119.753 2.462 19391 482 1 2 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.088 -0.082 19391 483 1 2 . 1 1 19 19 ARG C C 19 174.040 174.040 173.945 0.095 19391 484 1 2 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.281 0.085 19391 485 1 2 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.294 0.596 19391 486 1 2 . 1 1 19 19 ARG H H 19 9.300 9.300 8.881 0.419 19391 487 1 2 . 1 1 20 20 GLU N N 20 127.885 127.885 120.474 7.411 19391 488 1 2 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.124 0.161 19391 489 1 2 . 1 1 20 20 GLU C C 20 173.582 173.582 174.496 -0.914 19391 490 1 2 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.055 0.399 19391 491 1 2 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.985 2.587 19391 492 1 2 . 1 1 20 20 GLU H H 20 9.460 9.460 8.546 0.914 19391 493 1 2 . 1 1 21 21 GLU N N 21 123.590 123.590 123.296 0.294 19391 494 1 2 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.619 0.699 19391 495 1 2 . 1 1 21 21 GLU C C 21 176.091 176.091 174.870 1.221 19391 496 1 2 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.499 -1.041 19391 497 1 2 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.516 0.336 19391 498 1 2 . 1 1 21 21 GLU H H 21 8.580 8.580 8.087 0.493 19391 499 1 2 . 1 1 22 22 VAL N N 22 123.718 123.718 125.968 -2.250 19391 500 1 2 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.717 0.051 19391 501 1 2 . 1 1 22 22 VAL C C 22 169.573 169.573 173.612 -4.039 19391 502 1 2 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.282 -0.293 19391 503 1 2 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.159 1.100 19391 504 1 2 . 1 1 22 22 VAL H H 22 9.177 9.177 8.230 0.947 19391 505 1 2 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.440 0.315 19391 506 1 2 . 1 1 23 23 PRO C C 23 176.679 176.679 175.968 0.711 19391 507 1 2 . 1 1 23 23 PRO CA C 23 62.464 62.464 63.318 -0.854 19391 508 1 2 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.640 0.458 19391 509 1 2 . 1 1 24 24 ARG N N 24 123.629 123.629 122.928 0.701 19391 510 1 2 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.759 -0.271 19391 511 1 2 . 1 1 24 24 ARG C C 24 177.926 177.926 175.933 1.993 19391 512 1 2 . 1 1 24 24 ARG CA C 24 56.430 56.430 54.642 1.788 19391 513 1 2 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.045 0.943 19391 514 1 2 . 1 1 24 24 ARG H H 24 8.726 8.726 8.219 0.507 19391 515 1 2 . 1 1 25 25 ARG N N 25 124.327 124.327 122.704 1.623 19391 516 1 2 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.370 -0.027 19391 517 1 2 . 1 1 25 25 ARG C C 25 176.213 176.213 175.178 1.035 19391 518 1 2 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.810 0.660 19391 519 1 2 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.065 1.143 19391 520 1 2 . 1 1 25 25 ARG H H 25 9.070 9.070 8.402 0.668 19391 521 1 2 . 1 1 26 26 SER N N 26 114.348 114.348 114.822 -0.474 19391 522 1 2 . 1 1 26 26 SER HA H 26 4.652 4.652 4.726 -0.074 19391 523 1 2 . 1 1 26 26 SER C C 26 173.704 173.704 174.037 -0.333 19391 524 1 2 . 1 1 26 26 SER CA C 26 57.727 57.727 58.088 -0.361 19391 525 1 2 . 1 1 26 26 SER CB C 26 65.099 65.099 64.079 1.020 19391 526 1 2 . 1 1 26 26 SER H H 26 8.071 8.071 7.728 0.343 19391 527 1 2 . 1 1 27 27 GLY N N 27 108.224 108.224 112.510 -4.286 19391 528 1 2 . 1 1 27 27 GLY C C 27 175.321 175.321 174.141 1.180 19391 529 1 2 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.014 0.149 19391 530 1 2 . 1 1 27 27 GLY H H 27 8.433 8.433 8.008 0.425 19391 531 1 2 . 1 1 28 28 LEU N N 28 122.251 122.251 120.183 2.068 19391 532 1 2 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.367 -0.118 19391 533 1 2 . 1 1 28 28 LEU C C 28 178.691 178.691 177.932 0.759 19391 534 1 2 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.437 0.356 19391 535 1 2 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.515 -0.332 19391 536 1 2 . 1 1 28 28 LEU H H 28 8.752 8.752 8.565 0.187 19391 537 1 2 . 1 1 29 29 SER N N 29 113.375 113.375 113.324 0.051 19391 538 1 2 . 1 1 29 29 SER HA H 29 4.440 4.440 4.463 -0.023 19391 539 1 2 . 1 1 29 29 SER C C 29 173.707 173.707 174.486 -0.779 19391 540 1 2 . 1 1 29 29 SER CA C 29 57.782 57.782 56.889 0.893 19391 541 1 2 . 1 1 29 29 SER CB C 29 63.353 63.353 63.182 0.171 19391 542 1 2 . 1 1 29 29 SER H H 29 8.397 8.397 7.997 0.400 19391 543 1 2 . 1 1 30 30 ALA N N 30 124.539 124.539 123.613 0.926 19391 544 1 2 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.051 -0.139 19391 545 1 2 . 1 1 30 30 ALA C C 30 178.198 178.198 178.586 -0.388 19391 546 1 2 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.224 0.352 19391 547 1 2 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.120 -0.698 19391 548 1 2 . 1 1 30 30 ALA H H 30 7.623 7.623 7.171 0.452 19391 549 1 2 . 1 1 31 31 GLY N N 31 109.642 109.642 107.235 2.407 19391 550 1 2 . 1 1 31 31 GLY C C 31 174.534 174.534 174.528 0.006 19391 551 1 2 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.868 0.374 19391 552 1 2 . 1 1 31 31 GLY H H 31 8.713 8.713 8.346 0.367 19391 553 1 2 . 1 1 32 32 HIS N N 32 119.677 119.677 120.483 -0.806 19391 554 1 2 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.853 -0.289 19391 555 1 2 . 1 1 32 32 HIS C C 32 174.544 174.544 174.056 0.488 19391 556 1 2 . 1 1 32 32 HIS CA C 32 56.416 56.416 54.471 1.944 19391 557 1 2 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.712 -2.126 19391 558 1 2 . 1 1 32 32 HIS H H 32 8.304 8.304 7.766 0.538 19391 559 1 2 . 1 1 33 33 ARG N N 33 124.677 124.677 119.524 5.153 19391 560 1 2 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.552 0.053 19391 561 1 2 . 1 1 33 33 ARG C C 33 174.869 174.869 174.706 0.163 19391 562 1 2 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.107 0.655 19391 563 1 2 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.188 -0.987 19391 564 1 2 . 1 1 33 33 ARG H H 33 8.731 8.731 8.517 0.214 19391 565 1 2 . 1 1 34 34 ASP N N 34 124.378 124.378 122.749 1.629 19391 566 1 2 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.802 0.074 19391 567 1 2 . 1 1 34 34 ASP C C 34 174.057 174.057 174.764 -0.707 19391 568 1 2 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.861 1.185 19391 569 1 2 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.050 0.802 19391 570 1 2 . 1 1 34 34 ASP H H 34 8.387 8.387 8.282 0.105 19391 571 1 2 . 1 1 35 35 VAL N N 35 121.095 121.095 123.268 -2.173 19391 572 1 2 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.506 0.244 19391 573 1 2 . 1 1 35 35 VAL C C 35 173.600 173.600 174.356 -0.756 19391 574 1 2 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.030 0.327 19391 575 1 2 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.441 0.637 19391 576 1 2 . 1 1 35 35 VAL H H 35 8.023 8.023 8.262 -0.239 19391 577 1 2 . 1 1 36 36 PHE N N 36 122.163 122.163 124.109 -1.946 19391 578 1 2 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.693 0.905 19391 579 1 2 . 1 1 36 36 PHE C C 36 174.164 174.164 174.127 0.037 19391 580 1 2 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.358 -1.650 19391 581 1 2 . 1 1 36 36 PHE CB C 36 43.978 43.978 41.828 2.150 19391 582 1 2 . 1 1 36 36 PHE H H 36 8.710 8.710 8.250 0.460 19391 583 1 2 . 1 1 37 37 TYR N N 37 116.406 116.406 119.003 -2.597 19391 584 1 2 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.899 0.788 19391 585 1 2 . 1 1 37 37 TYR C C 37 174.694 174.694 174.308 0.386 19391 586 1 2 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.879 0.985 19391 587 1 2 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.654 2.824 19391 588 1 2 . 1 1 37 37 TYR H H 37 8.552 8.552 8.072 0.480 19391 589 1 2 . 1 1 38 38 TYR N N 38 118.594 118.594 120.762 -2.168 19391 590 1 2 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.539 0.205 19391 591 1 2 . 1 1 38 38 TYR C C 38 175.481 175.481 175.494 -0.013 19391 592 1 2 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.181 -0.231 19391 593 1 2 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.566 0.721 19391 594 1 2 . 1 1 38 38 TYR H H 38 9.445 9.445 9.129 0.316 19391 595 1 2 . 1 1 39 39 SER N N 39 118.327 118.327 118.367 -0.040 19391 596 1 2 . 1 1 39 39 SER HA H 39 2.098 2.098 4.068 -1.970 19391 597 1 2 . 1 1 39 39 SER C C 39 174.399 174.399 173.939 0.460 19391 598 1 2 . 1 1 39 39 SER CA C 39 55.375 55.375 54.986 0.389 19391 599 1 2 . 1 1 39 39 SER CB C 39 62.873 62.873 62.881 -0.008 19391 600 1 2 . 1 1 39 39 SER H H 39 8.808 8.808 8.220 0.588 19391 601 1 2 . 1 1 41 41 SER HA H 41 4.452 4.452 4.422 0.030 19391 602 1 2 . 1 1 41 41 SER C C 41 174.963 174.963 175.754 -0.791 19391 603 1 2 . 1 1 41 41 SER CA C 41 57.861 57.861 57.864 -0.003 19391 604 1 2 . 1 1 41 41 SER CB C 41 63.763 63.763 62.881 0.882 19391 605 1 2 . 1 1 42 42 GLY N N 42 111.741 111.741 110.494 1.247 19391 606 1 2 . 1 1 42 42 GLY C C 42 173.938 173.938 174.408 -0.470 19391 607 1 2 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.780 -0.351 19391 608 1 2 . 1 1 42 42 GLY H H 42 8.292 8.292 8.008 0.284 19391 609 1 2 . 1 1 43 43 LYS N N 43 122.381 122.381 121.690 0.691 19391 610 1 2 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.297 -0.206 19391 611 1 2 . 1 1 43 43 LYS C C 43 174.049 174.049 176.166 -2.117 19391 612 1 2 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.874 -0.365 19391 613 1 2 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.325 -0.535 19391 614 1 2 . 1 1 43 43 LYS H H 43 7.361 7.361 7.454 -0.093 19391 615 1 2 . 1 1 44 44 LYS N N 44 125.831 125.831 125.340 0.491 19391 616 1 2 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.277 -0.783 19391 617 1 2 . 1 1 44 44 LYS C C 44 175.970 175.970 175.977 -0.007 19391 618 1 2 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.228 0.480 19391 619 1 2 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.441 2.199 19391 620 1 2 . 1 1 44 44 LYS H H 44 8.078 8.078 8.364 -0.286 19391 621 1 2 . 1 1 45 45 PHE N N 45 124.636 124.636 119.915 4.721 19391 622 1 2 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.034 -0.252 19391 623 1 2 . 1 1 45 45 PHE C C 45 176.205 176.205 174.187 2.018 19391 624 1 2 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.566 1.387 19391 625 1 2 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.163 0.813 19391 626 1 2 . 1 1 45 45 PHE H H 45 9.707 9.707 8.217 1.490 19391 627 1 2 . 1 1 46 46 ARG N N 46 117.959 117.959 120.425 -2.466 19391 628 1 2 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.784 0.616 19391 629 1 2 . 1 1 46 46 ARG C C 46 175.059 175.059 175.005 0.054 19391 630 1 2 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.886 -0.564 19391 631 1 2 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.182 3.201 19391 632 1 2 . 1 1 46 46 ARG H H 46 9.430 9.430 8.892 0.538 19391 633 1 2 . 1 1 47 47 SER N N 47 115.115 115.115 115.326 -0.211 19391 634 1 2 . 1 1 47 47 SER HA H 47 4.069 4.069 4.237 -0.168 19391 635 1 2 . 1 1 47 47 SER C C 47 172.762 172.762 174.033 -1.271 19391 636 1 2 . 1 1 47 47 SER CA C 47 56.797 56.797 57.188 -0.391 19391 637 1 2 . 1 1 47 47 SER CB C 47 66.892 66.892 65.106 1.786 19391 638 1 2 . 1 1 47 47 SER H H 47 7.926 7.926 7.914 0.012 19391 639 1 2 . 1 1 48 48 LYS N N 48 122.914 122.914 124.796 -1.882 19391 640 1 2 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.199 -0.100 19391 641 1 2 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.993 0.577 19391 642 1 2 . 1 1 48 48 LYS CB C 48 30.250 30.250 31.152 -0.902 19391 643 1 2 . 1 1 48 48 LYS H H 48 8.994 8.994 8.297 0.697 19391 644 1 2 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.207 0.177 19391 645 1 2 . 1 1 49 49 PRO C C 49 179.505 179.505 179.077 0.428 19391 646 1 2 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.888 0.374 19391 647 1 2 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.124 0.130 19391 648 1 2 . 1 1 50 50 GLN N N 50 116.141 116.141 116.463 -0.322 19391 649 1 2 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.135 0.024 19391 650 1 2 . 1 1 50 50 GLN C C 50 179.539 179.539 178.467 1.072 19391 651 1 2 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.711 0.502 19391 652 1 2 . 1 1 50 50 GLN CB C 50 29.365 29.365 27.816 1.549 19391 653 1 2 . 1 1 50 50 GLN H H 50 7.333 7.333 7.657 -0.324 19391 654 1 2 . 1 1 51 51 LEU N N 51 122.318 122.318 121.262 1.056 19391 655 1 2 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.624 0.188 19391 656 1 2 . 1 1 51 51 LEU C C 51 177.948 177.948 178.135 -0.187 19391 657 1 2 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.833 0.311 19391 658 1 2 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.380 2.071 19391 659 1 2 . 1 1 51 51 LEU H H 51 7.957 7.957 7.612 0.345 19391 660 1 2 . 1 1 52 52 ALA N N 52 120.627 120.627 121.189 -0.562 19391 661 1 2 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.901 0.009 19391 662 1 2 . 1 1 52 52 ALA C C 52 181.360 181.360 179.125 2.235 19391 663 1 2 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.005 -0.111 19391 664 1 2 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.504 -0.318 19391 665 1 2 . 1 1 52 52 ALA H H 52 9.134 9.134 7.771 1.363 19391 666 1 2 . 1 1 53 53 ARG N N 53 118.087 118.087 119.172 -1.085 19391 667 1 2 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.904 0.206 19391 668 1 2 . 1 1 53 53 ARG C C 53 178.186 178.186 178.702 -0.516 19391 669 1 2 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.246 0.050 19391 670 1 2 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.170 0.385 19391 671 1 2 . 1 1 53 53 ARG H H 53 8.095 8.095 7.965 0.130 19391 672 1 2 . 1 1 54 54 TYR N N 54 119.692 119.692 119.216 0.476 19391 673 1 2 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.281 0.096 19391 674 1 2 . 1 1 54 54 TYR C C 54 177.809 177.809 177.090 0.719 19391 675 1 2 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.766 0.576 19391 676 1 2 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.802 1.597 19391 677 1 2 . 1 1 54 54 TYR H H 54 7.584 7.584 7.759 -0.175 19391 678 1 2 . 1 1 55 55 LEU N N 55 117.313 117.313 116.890 0.423 19391 679 1 2 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.303 -0.148 19391 680 1 2 . 1 1 55 55 LEU C C 55 178.784 178.784 177.526 1.258 19391 681 1 2 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.834 0.954 19391 682 1 2 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.925 0.858 19391 683 1 2 . 1 1 55 55 LEU H H 55 8.279 8.279 7.960 0.319 19391 684 1 2 . 1 1 56 56 GLY N N 56 108.526 108.526 109.122 -0.596 19391 685 1 2 . 1 1 56 56 GLY C C 56 174.749 174.749 175.153 -0.404 19391 686 1 2 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.581 0.170 19391 687 1 2 . 1 1 56 56 GLY H H 56 7.911 7.911 8.314 -0.403 19391 688 1 2 . 1 1 57 57 GLY N N 57 109.514 109.514 108.682 0.832 19391 689 1 2 . 1 1 57 57 GLY C C 57 175.034 175.034 174.496 0.538 19391 690 1 2 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.573 0.075 19391 691 1 2 . 1 1 57 57 GLY H H 57 8.644 8.644 8.286 0.358 19391 692 1 2 . 1 1 58 58 SER N N 58 114.666 114.666 116.167 -1.501 19391 693 1 2 . 1 1 58 58 SER HA H 58 4.355 4.355 4.380 -0.025 19391 694 1 2 . 1 1 58 58 SER C C 58 173.748 173.748 174.368 -0.620 19391 695 1 2 . 1 1 58 58 SER CA C 58 60.013 60.013 59.224 0.789 19391 696 1 2 . 1 1 58 58 SER CB C 58 64.173 64.173 63.962 0.211 19391 697 1 2 . 1 1 58 58 SER H H 58 8.058 8.058 7.947 0.111 19391 698 1 2 . 1 1 59 59 MET N N 59 118.467 118.467 121.463 -2.996 19391 699 1 2 . 1 1 59 59 MET HA H 59 4.475 4.475 4.558 -0.083 19391 700 1 2 . 1 1 59 59 MET C C 59 172.909 172.909 174.457 -1.548 19391 701 1 2 . 1 1 59 59 MET CA C 59 56.185 56.185 55.209 0.976 19391 702 1 2 . 1 1 59 59 MET CB C 59 35.552 35.552 36.720 -1.168 19391 703 1 2 . 1 1 59 59 MET H H 59 7.442 7.442 7.348 0.094 19391 704 1 2 . 1 1 60 60 ASP N N 60 121.779 121.779 122.739 -0.960 19391 705 1 2 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.665 0.029 19391 706 1 2 . 1 1 60 60 ASP C C 60 176.867 176.867 176.287 0.580 19391 707 1 2 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.700 -0.419 19391 708 1 2 . 1 1 60 60 ASP CB C 60 40.980 40.980 39.604 1.376 19391 709 1 2 . 1 1 60 60 ASP H H 60 8.401 8.401 8.632 -0.231 19391 710 1 2 . 1 1 61 61 LEU N N 61 126.474 126.474 124.625 1.849 19391 711 1 2 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.446 -0.052 19391 712 1 2 . 1 1 61 61 LEU C C 61 178.536 178.536 178.063 0.473 19391 713 1 2 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.930 -0.891 19391 714 1 2 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.845 -0.232 19391 715 1 2 . 1 1 61 61 LEU H H 61 9.015 9.015 7.897 1.118 19391 716 1 2 . 1 1 62 62 SER N N 62 120.014 120.014 116.323 3.691 19391 717 1 2 . 1 1 62 62 SER HA H 62 4.125 4.125 4.197 -0.072 19391 718 1 2 . 1 1 62 62 SER C C 62 176.669 176.669 175.377 1.292 19391 719 1 2 . 1 1 62 62 SER CA C 62 63.345 63.345 61.038 2.308 19391 720 1 2 . 1 1 62 62 SER CB C 62 62.553 62.553 62.888 -0.335 19391 721 1 2 . 1 1 62 62 SER H H 62 8.871 8.871 8.638 0.233 19391 722 1 2 . 1 1 63 63 THR N N 63 110.495 110.495 112.058 -1.563 19391 723 1 2 . 1 1 63 63 THR HA H 63 4.510 4.510 4.475 0.035 19391 724 1 2 . 1 1 63 63 THR C C 63 173.862 173.862 173.557 0.305 19391 725 1 2 . 1 1 63 63 THR CA C 63 61.006 61.006 60.753 0.253 19391 726 1 2 . 1 1 63 63 THR CB C 63 67.976 67.976 69.127 -1.151 19391 727 1 2 . 1 1 63 63 THR H H 63 8.363 8.363 7.615 0.748 19391 728 1 2 . 1 1 64 64 PHE N N 64 123.605 123.605 125.290 -1.685 19391 729 1 2 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.671 -0.055 19391 730 1 2 . 1 1 64 64 PHE C C 64 173.716 173.716 173.934 -0.218 19391 731 1 2 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.427 1.590 19391 732 1 2 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.193 0.751 19391 733 1 2 . 1 1 64 64 PHE H H 64 7.472 7.472 8.212 -0.740 19391 734 1 2 . 1 1 65 65 ASP N N 65 129.564 129.564 128.920 0.644 19391 735 1 2 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.345 0.182 19391 736 1 2 . 1 1 65 65 ASP C C 65 173.973 173.973 174.620 -0.647 19391 737 1 2 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.691 -0.878 19391 738 1 2 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.874 1.074 19391 739 1 2 . 1 1 65 65 ASP H H 65 8.574 8.574 8.864 -0.290 19391 740 1 2 . 1 1 66 66 PHE N N 66 128.221 128.221 124.212 4.009 19391 741 1 2 . 1 1 66 66 PHE HA H 66 3.657 3.657 3.752 -0.095 19391 742 1 2 . 1 1 66 66 PHE C C 66 177.535 177.535 175.913 1.622 19391 743 1 2 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.189 0.557 19391 744 1 2 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.521 1.721 19391 745 1 2 . 1 1 66 66 PHE H H 66 8.886 8.886 7.874 1.012 19391 746 1 2 . 1 1 67 67 ARG N N 67 116.246 116.246 115.659 0.587 19391 747 1 2 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.045 0.716 19391 748 1 2 . 1 1 67 67 ARG C C 67 178.024 178.024 177.792 0.232 19391 749 1 2 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.952 0.709 19391 750 1 2 . 1 1 67 67 ARG CB C 67 29.729 29.729 30.050 -0.321 19391 751 1 2 . 1 1 67 67 ARG H H 67 8.804 8.804 8.603 0.201 19391 752 1 2 . 1 1 68 68 THR N N 68 105.409 105.409 107.120 -1.711 19391 753 1 2 . 1 1 68 68 THR HA H 68 4.199 4.199 4.285 -0.086 19391 754 1 2 . 1 1 68 68 THR C C 68 176.417 176.417 174.517 1.900 19391 755 1 2 . 1 1 68 68 THR CA C 68 62.233 62.233 61.753 0.480 19391 756 1 2 . 1 1 68 68 THR CB C 68 71.221 71.221 68.758 2.463 19391 757 1 2 . 1 1 68 68 THR H H 68 7.407 7.407 7.979 -0.572 19391 758 1 2 . 1 1 69 69 GLY N N 69 113.199 113.199 111.035 2.164 19391 759 1 2 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.953 1.261 19391 760 1 2 . 1 1 69 69 GLY H H 69 8.344 8.344 7.739 0.605 19391 761 1 2 . 1 1 70 70 LYS N N 70 116.533 116.533 118.162 -1.629 19391 762 1 2 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.780 -0.382 19391 763 1 2 . 1 1 70 70 LYS C C 70 175.022 175.022 175.134 -0.112 19391 764 1 2 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.029 0.584 19391 765 1 2 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.396 -1.321 19391 766 1 2 . 1 1 70 70 LYS H H 70 6.887 6.887 7.297 -0.410 19391 767 1 2 . 1 1 71 71 MET N N 71 119.590 119.590 124.078 -4.488 19391 768 1 2 . 1 1 71 71 MET HA H 71 4.770 4.770 4.671 0.099 19391 769 1 2 . 1 1 71 71 MET C C 71 175.810 175.810 175.560 0.250 19391 770 1 2 . 1 1 71 71 MET CA C 71 54.296 54.296 55.319 -1.023 19391 771 1 2 . 1 1 71 71 MET CB C 71 32.118 32.118 33.272 -1.154 19391 772 1 2 . 1 1 71 71 MET H H 71 8.423 8.423 8.754 -0.331 19391 773 1 3 . 1 1 2 2 SER HA H 2 4.500 4.500 4.345 0.155 19391 774 1 3 . 1 1 2 2 SER C C 2 174.803 174.803 174.401 0.402 19391 775 1 3 . 1 1 2 2 SER CA C 2 58.624 58.624 58.663 -0.038 19391 776 1 3 . 1 1 2 2 SER CB C 2 63.986 63.986 63.254 0.732 19391 777 1 3 . 1 1 3 3 MET N N 3 122.348 122.348 121.409 0.939 19391 778 1 3 . 1 1 3 3 MET HA H 3 4.546 4.546 4.353 0.193 19391 779 1 3 . 1 1 3 3 MET C C 3 175.969 175.969 175.607 0.362 19391 780 1 3 . 1 1 3 3 MET CA C 3 55.560 55.560 56.262 -0.702 19391 781 1 3 . 1 1 3 3 MET CB C 3 32.667 32.667 33.088 -0.421 19391 782 1 3 . 1 1 3 3 MET H H 3 8.636 8.636 8.053 0.583 19391 783 1 3 . 1 1 4 4 GLU N N 4 121.792 121.792 121.900 -0.108 19391 784 1 3 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.452 -0.149 19391 785 1 3 . 1 1 4 4 GLU C C 4 175.884 175.884 176.474 -0.590 19391 786 1 3 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.546 0.985 19391 787 1 3 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.677 -0.083 19391 788 1 3 . 1 1 4 4 GLU H H 4 8.337 8.337 8.188 0.149 19391 789 1 3 . 1 1 5 5 ARG N N 5 122.592 122.592 120.836 1.756 19391 790 1 3 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.892 0.637 19391 791 1 3 . 1 1 5 5 ARG C C 5 175.556 175.556 175.124 0.432 19391 792 1 3 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.690 -0.683 19391 793 1 3 . 1 1 5 5 ARG CB C 5 31.177 31.177 27.995 3.182 19391 794 1 3 . 1 1 5 5 ARG H H 5 8.319 8.319 8.670 -0.351 19391 795 1 3 . 1 1 6 6 LYS N N 6 123.750 123.750 121.142 2.608 19391 796 1 3 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.020 0.385 19391 797 1 3 . 1 1 6 6 LYS C C 6 174.335 174.335 175.172 -0.837 19391 798 1 3 . 1 1 6 6 LYS CA C 6 55.587 55.587 56.398 -0.810 19391 799 1 3 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.279 1.419 19391 800 1 3 . 1 1 6 6 LYS H H 6 8.372 8.372 7.550 0.822 19391 801 1 3 . 1 1 7 7 ARG N N 7 121.789 121.789 118.480 3.309 19391 802 1 3 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.470 0.555 19391 803 1 3 . 1 1 7 7 ARG C C 7 174.998 174.998 174.250 0.748 19391 804 1 3 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.915 -0.038 19391 805 1 3 . 1 1 7 7 ARG CB C 7 33.085 33.085 33.227 -0.142 19391 806 1 3 . 1 1 7 7 ARG H H 7 7.894 7.894 7.535 0.359 19391 807 1 3 . 1 1 8 8 TRP N N 8 122.774 122.774 122.670 0.104 19391 808 1 3 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.825 0.146 19391 809 1 3 . 1 1 8 8 TRP C C 8 175.679 175.679 174.614 1.065 19391 810 1 3 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.586 -0.244 19391 811 1 3 . 1 1 8 8 TRP CB C 8 33.044 33.044 32.552 0.492 19391 812 1 3 . 1 1 8 8 TRP H H 8 9.002 9.002 8.697 0.305 19391 813 1 3 . 1 1 9 9 GLU N N 9 121.587 121.587 123.472 -1.885 19391 814 1 3 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.672 -0.198 19391 815 1 3 . 1 1 9 9 GLU C C 9 176.133 176.133 176.246 -0.113 19391 816 1 3 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.687 1.800 19391 817 1 3 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.964 -0.710 19391 818 1 3 . 1 1 9 9 GLU H H 9 8.879 8.879 8.780 0.099 19391 819 1 3 . 1 1 10 10 CYS N N 10 122.770 122.770 126.335 -3.565 19391 820 1 3 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.943 0.282 19391 821 1 3 . 1 1 10 10 CYS C C 10 173.480 173.480 175.224 -1.744 19391 822 1 3 . 1 1 10 10 CYS CA C 10 56.051 56.051 56.489 -0.438 19391 823 1 3 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.238 1.037 19391 824 1 3 . 1 1 10 10 CYS H H 10 8.351 8.351 8.923 -0.572 19391 825 1 3 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.395 0.249 19391 826 1 3 . 1 1 11 11 PRO C C 11 176.160 176.160 176.592 -0.432 19391 827 1 3 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.161 0.603 19391 828 1 3 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.702 0.503 19391 829 1 3 . 1 1 12 12 ALA N N 12 118.459 118.459 119.364 -0.905 19391 830 1 3 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.204 0.060 19391 831 1 3 . 1 1 12 12 ALA C C 12 176.998 176.998 176.999 -0.001 19391 832 1 3 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.260 0.914 19391 833 1 3 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.940 1.256 19391 834 1 3 . 1 1 12 12 ALA H H 12 7.635 7.635 8.185 -0.550 19391 835 1 3 . 1 1 13 13 LEU N N 13 117.171 117.171 119.862 -2.691 19391 836 1 3 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.360 -0.045 19391 837 1 3 . 1 1 13 13 LEU C C 13 173.277 173.277 174.508 -1.231 19391 838 1 3 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.804 0.353 19391 839 1 3 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.819 -0.839 19391 840 1 3 . 1 1 13 13 LEU H H 13 7.449 7.449 7.145 0.304 19391 841 1 3 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.346 0.088 19391 842 1 3 . 1 1 14 14 PRO C C 14 174.999 174.999 176.062 -1.063 19391 843 1 3 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.450 0.249 19391 844 1 3 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.144 -0.333 19391 845 1 3 . 1 1 15 15 GLN N N 15 120.091 120.091 120.975 -0.884 19391 846 1 3 . 1 1 15 15 GLN HA H 15 4.149 4.149 3.902 0.247 19391 847 1 3 . 1 1 15 15 GLN C C 15 177.099 177.099 177.590 -0.491 19391 848 1 3 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.654 0.679 19391 849 1 3 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.282 0.574 19391 850 1 3 . 1 1 15 15 GLN H H 15 8.368 8.368 8.540 -0.172 19391 851 1 3 . 1 1 16 16 GLY N N 16 113.023 113.023 109.990 3.033 19391 852 1 3 . 1 1 16 16 GLY C C 16 174.735 174.735 173.766 0.969 19391 853 1 3 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.895 0.398 19391 854 1 3 . 1 1 16 16 GLY H H 16 8.828 8.828 8.295 0.533 19391 855 1 3 . 1 1 17 17 TRP N N 17 121.152 121.152 121.623 -0.471 19391 856 1 3 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.174 -0.357 19391 857 1 3 . 1 1 17 17 TRP C C 17 177.275 177.275 175.841 1.434 19391 858 1 3 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.026 2.127 19391 859 1 3 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.667 -0.377 19391 860 1 3 . 1 1 17 17 TRP H H 17 8.006 8.006 8.003 0.003 19391 861 1 3 . 1 1 18 18 GLU N N 18 120.147 120.147 118.065 2.082 19391 862 1 3 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.891 0.364 19391 863 1 3 . 1 1 18 18 GLU C C 18 174.373 174.373 174.460 -0.087 19391 864 1 3 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.748 -0.657 19391 865 1 3 . 1 1 18 18 GLU CB C 18 35.375 35.375 35.154 0.221 19391 866 1 3 . 1 1 18 18 GLU H H 18 8.934 8.934 8.695 0.239 19391 867 1 3 . 1 1 19 19 ARG N N 19 122.215 122.215 118.966 3.249 19391 868 1 3 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.292 -0.286 19391 869 1 3 . 1 1 19 19 ARG C C 19 174.040 174.040 174.196 -0.156 19391 870 1 3 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.486 -0.120 19391 871 1 3 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.156 0.734 19391 872 1 3 . 1 1 19 19 ARG H H 19 9.300 9.300 8.563 0.737 19391 873 1 3 . 1 1 20 20 GLU N N 20 127.885 127.885 120.258 7.627 19391 874 1 3 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.831 0.454 19391 875 1 3 . 1 1 20 20 GLU C C 20 173.582 173.582 174.632 -1.050 19391 876 1 3 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.745 -0.291 19391 877 1 3 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.678 1.894 19391 878 1 3 . 1 1 20 20 GLU H H 20 9.460 9.460 8.698 0.762 19391 879 1 3 . 1 1 21 21 GLU N N 21 123.590 123.590 121.684 1.906 19391 880 1 3 . 1 1 21 21 GLU HA H 21 5.318 5.318 5.063 0.255 19391 881 1 3 . 1 1 21 21 GLU C C 21 176.091 176.091 175.131 0.960 19391 882 1 3 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.012 -0.554 19391 883 1 3 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.907 -0.055 19391 884 1 3 . 1 1 21 21 GLU H H 21 8.580 8.580 8.232 0.348 19391 885 1 3 . 1 1 22 22 VAL N N 22 123.718 123.718 125.356 -1.638 19391 886 1 3 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.592 0.176 19391 887 1 3 . 1 1 22 22 VAL C C 22 169.573 169.573 173.455 -3.882 19391 888 1 3 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.538 0.451 19391 889 1 3 . 1 1 22 22 VAL CB C 22 35.259 35.259 33.970 1.289 19391 890 1 3 . 1 1 22 22 VAL H H 22 9.177 9.177 9.148 0.029 19391 891 1 3 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.658 0.097 19391 892 1 3 . 1 1 23 23 PRO C C 23 176.679 176.679 176.449 0.230 19391 893 1 3 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.158 0.306 19391 894 1 3 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.404 -0.306 19391 895 1 3 . 1 1 24 24 ARG N N 24 123.629 123.629 122.576 1.053 19391 896 1 3 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.489 -0.001 19391 897 1 3 . 1 1 24 24 ARG C C 24 177.926 177.926 176.082 1.844 19391 898 1 3 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.191 1.240 19391 899 1 3 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.365 -0.377 19391 900 1 3 . 1 1 24 24 ARG H H 24 8.726 8.726 8.247 0.479 19391 901 1 3 . 1 1 25 25 ARG N N 25 124.327 124.327 121.030 3.297 19391 902 1 3 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.458 -0.115 19391 903 1 3 . 1 1 25 25 ARG C C 25 176.213 176.213 175.662 0.551 19391 904 1 3 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.638 1.832 19391 905 1 3 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.425 -0.217 19391 906 1 3 . 1 1 25 25 ARG H H 25 9.070 9.070 8.427 0.643 19391 907 1 3 . 1 1 26 26 SER N N 26 114.348 114.348 120.241 -5.893 19391 908 1 3 . 1 1 26 26 SER HA H 26 4.652 4.652 4.168 0.484 19391 909 1 3 . 1 1 26 26 SER C C 26 173.704 173.704 174.027 -0.323 19391 910 1 3 . 1 1 26 26 SER CA C 26 57.727 57.727 58.721 -0.994 19391 911 1 3 . 1 1 26 26 SER CB C 26 65.099 65.099 63.515 1.584 19391 912 1 3 . 1 1 26 26 SER H H 26 8.071 8.071 8.657 -0.586 19391 913 1 3 . 1 1 27 27 GLY N N 27 108.224 108.224 106.478 1.746 19391 914 1 3 . 1 1 27 27 GLY C C 27 175.321 175.321 174.673 0.648 19391 915 1 3 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.386 0.777 19391 916 1 3 . 1 1 27 27 GLY H H 27 8.433 8.433 8.043 0.390 19391 917 1 3 . 1 1 28 28 LEU N N 28 122.251 122.251 121.039 1.212 19391 918 1 3 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.166 0.083 19391 919 1 3 . 1 1 28 28 LEU C C 28 178.691 178.691 177.400 1.291 19391 920 1 3 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.367 0.426 19391 921 1 3 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.033 0.150 19391 922 1 3 . 1 1 28 28 LEU H H 28 8.752 8.752 8.365 0.387 19391 923 1 3 . 1 1 29 29 SER N N 29 113.375 113.375 113.804 -0.429 19391 924 1 3 . 1 1 29 29 SER HA H 29 4.440 4.440 3.803 0.637 19391 925 1 3 . 1 1 29 29 SER C C 29 173.707 173.707 174.118 -0.411 19391 926 1 3 . 1 1 29 29 SER CA C 29 57.782 57.782 57.202 0.580 19391 927 1 3 . 1 1 29 29 SER CB C 29 63.353 63.353 63.177 0.176 19391 928 1 3 . 1 1 29 29 SER H H 29 8.397 8.397 7.679 0.718 19391 929 1 3 . 1 1 30 30 ALA N N 30 124.539 124.539 123.404 1.135 19391 930 1 3 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.258 -0.346 19391 931 1 3 . 1 1 30 30 ALA C C 30 178.198 178.198 178.119 0.079 19391 932 1 3 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.299 0.277 19391 933 1 3 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.842 -0.420 19391 934 1 3 . 1 1 30 30 ALA H H 30 7.623 7.623 7.347 0.276 19391 935 1 3 . 1 1 31 31 GLY N N 31 109.642 109.642 112.238 -2.596 19391 936 1 3 . 1 1 31 31 GLY C C 31 174.534 174.534 174.325 0.209 19391 937 1 3 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.412 -0.170 19391 938 1 3 . 1 1 31 31 GLY H H 31 8.713 8.713 8.630 0.083 19391 939 1 3 . 1 1 32 32 HIS N N 32 119.677 119.677 122.184 -2.507 19391 940 1 3 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.456 0.108 19391 941 1 3 . 1 1 32 32 HIS C C 32 174.544 174.544 174.322 0.222 19391 942 1 3 . 1 1 32 32 HIS CA C 32 56.416 56.416 55.498 0.918 19391 943 1 3 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.126 -0.540 19391 944 1 3 . 1 1 32 32 HIS H H 32 8.304 8.304 7.729 0.575 19391 945 1 3 . 1 1 33 33 ARG N N 33 124.677 124.677 125.914 -1.237 19391 946 1 3 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.800 -0.195 19391 947 1 3 . 1 1 33 33 ARG C C 33 174.869 174.869 175.205 -0.336 19391 948 1 3 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.142 0.620 19391 949 1 3 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.527 -0.327 19391 950 1 3 . 1 1 33 33 ARG H H 33 8.731 8.731 8.747 -0.016 19391 951 1 3 . 1 1 34 34 ASP N N 34 124.378 124.378 126.713 -2.335 19391 952 1 3 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.789 0.087 19391 953 1 3 . 1 1 34 34 ASP C C 34 174.057 174.057 174.921 -0.864 19391 954 1 3 . 1 1 34 34 ASP CA C 34 54.045 54.045 54.173 -0.128 19391 955 1 3 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.660 1.192 19391 956 1 3 . 1 1 34 34 ASP H H 34 8.387 8.387 8.380 0.007 19391 957 1 3 . 1 1 35 35 VAL N N 35 121.095 121.095 121.587 -0.492 19391 958 1 3 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.840 -0.090 19391 959 1 3 . 1 1 35 35 VAL C C 35 173.600 173.600 174.812 -1.212 19391 960 1 3 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.947 0.410 19391 961 1 3 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.475 0.603 19391 962 1 3 . 1 1 35 35 VAL H H 35 8.023 8.023 8.320 -0.297 19391 963 1 3 . 1 1 36 36 PHE N N 36 122.163 122.163 125.341 -3.178 19391 964 1 3 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.583 1.015 19391 965 1 3 . 1 1 36 36 PHE C C 36 174.164 174.164 174.215 -0.051 19391 966 1 3 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.571 -1.863 19391 967 1 3 . 1 1 36 36 PHE CB C 36 43.978 43.978 41.680 2.298 19391 968 1 3 . 1 1 36 36 PHE H H 36 8.710 8.710 8.505 0.205 19391 969 1 3 . 1 1 37 37 TYR N N 37 116.406 116.406 119.366 -2.960 19391 970 1 3 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.833 0.854 19391 971 1 3 . 1 1 37 37 TYR C C 37 174.694 174.694 173.956 0.738 19391 972 1 3 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.280 0.584 19391 973 1 3 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.677 2.800 19391 974 1 3 . 1 1 37 37 TYR H H 37 8.552 8.552 8.069 0.483 19391 975 1 3 . 1 1 38 38 TYR N N 38 118.594 118.594 119.481 -0.887 19391 976 1 3 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.540 0.204 19391 977 1 3 . 1 1 38 38 TYR C C 38 175.481 175.481 175.751 -0.270 19391 978 1 3 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.969 -0.019 19391 979 1 3 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.840 0.447 19391 980 1 3 . 1 1 38 38 TYR H H 38 9.445 9.445 9.402 0.043 19391 981 1 3 . 1 1 39 39 SER N N 39 118.327 118.327 118.107 0.220 19391 982 1 3 . 1 1 39 39 SER HA H 39 2.098 2.098 3.725 -1.627 19391 983 1 3 . 1 1 39 39 SER C C 39 174.399 174.399 174.171 0.228 19391 984 1 3 . 1 1 39 39 SER CA C 39 55.375 55.375 54.977 0.398 19391 985 1 3 . 1 1 39 39 SER CB C 39 62.873 62.873 61.377 1.496 19391 986 1 3 . 1 1 39 39 SER H H 39 8.808 8.808 8.184 0.624 19391 987 1 3 . 1 1 41 41 SER HA H 41 4.452 4.452 4.453 -0.001 19391 988 1 3 . 1 1 41 41 SER C C 41 174.963 174.963 175.437 -0.474 19391 989 1 3 . 1 1 41 41 SER CA C 41 57.861 57.861 58.288 -0.427 19391 990 1 3 . 1 1 41 41 SER CB C 41 63.763 63.763 63.158 0.605 19391 991 1 3 . 1 1 42 42 GLY N N 42 111.741 111.741 108.721 3.020 19391 992 1 3 . 1 1 42 42 GLY C C 42 173.938 173.938 173.539 0.399 19391 993 1 3 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.123 0.306 19391 994 1 3 . 1 1 42 42 GLY H H 42 8.292 8.292 7.800 0.492 19391 995 1 3 . 1 1 43 43 LYS N N 43 122.381 122.381 120.539 1.842 19391 996 1 3 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.303 -0.212 19391 997 1 3 . 1 1 43 43 LYS C C 43 174.049 174.049 175.725 -1.676 19391 998 1 3 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.444 0.065 19391 999 1 3 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.916 -0.126 19391 1000 1 3 . 1 1 43 43 LYS H H 43 7.361 7.361 7.856 -0.495 19391 1001 1 3 . 1 1 44 44 LYS N N 44 125.831 125.831 128.175 -2.344 19391 1002 1 3 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.771 -0.277 19391 1003 1 3 . 1 1 44 44 LYS C C 44 175.970 175.970 175.921 0.049 19391 1004 1 3 . 1 1 44 44 LYS CA C 44 55.709 55.709 56.007 -0.298 19391 1005 1 3 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.515 2.125 19391 1006 1 3 . 1 1 44 44 LYS H H 44 8.078 8.078 8.554 -0.476 19391 1007 1 3 . 1 1 45 45 PHE N N 45 124.636 124.636 121.974 2.662 19391 1008 1 3 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.020 -0.238 19391 1009 1 3 . 1 1 45 45 PHE C C 45 176.205 176.205 173.502 2.703 19391 1010 1 3 . 1 1 45 45 PHE CA C 45 57.953 57.953 55.904 2.049 19391 1011 1 3 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.311 1.665 19391 1012 1 3 . 1 1 45 45 PHE H H 45 9.707 9.707 8.021 1.686 19391 1013 1 3 . 1 1 46 46 ARG N N 46 117.959 117.959 122.864 -4.905 19391 1014 1 3 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.750 0.650 19391 1015 1 3 . 1 1 46 46 ARG C C 46 175.059 175.059 174.510 0.549 19391 1016 1 3 . 1 1 46 46 ARG CA C 46 55.322 55.322 56.153 -0.831 19391 1017 1 3 . 1 1 46 46 ARG CB C 46 33.383 33.383 31.010 2.373 19391 1018 1 3 . 1 1 46 46 ARG H H 46 9.430 9.430 8.960 0.470 19391 1019 1 3 . 1 1 47 47 SER N N 47 115.115 115.115 116.631 -1.516 19391 1020 1 3 . 1 1 47 47 SER HA H 47 4.069 4.069 4.342 -0.273 19391 1021 1 3 . 1 1 47 47 SER C C 47 172.762 172.762 173.624 -0.862 19391 1022 1 3 . 1 1 47 47 SER CA C 47 56.797 56.797 57.462 -0.665 19391 1023 1 3 . 1 1 47 47 SER CB C 47 66.892 66.892 65.703 1.189 19391 1024 1 3 . 1 1 47 47 SER H H 47 7.926 7.926 8.050 -0.124 19391 1025 1 3 . 1 1 48 48 LYS N N 48 122.914 122.914 127.210 -4.296 19391 1026 1 3 . 1 1 48 48 LYS HA H 48 4.099 4.099 3.873 0.226 19391 1027 1 3 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.382 1.188 19391 1028 1 3 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.753 -0.503 19391 1029 1 3 . 1 1 48 48 LYS H H 48 8.994 8.994 8.362 0.632 19391 1030 1 3 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.215 0.169 19391 1031 1 3 . 1 1 49 49 PRO C C 49 179.505 179.505 179.069 0.436 19391 1032 1 3 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.753 0.509 19391 1033 1 3 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.167 0.087 19391 1034 1 3 . 1 1 50 50 GLN N N 50 116.141 116.141 117.977 -1.836 19391 1035 1 3 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.157 0.002 19391 1036 1 3 . 1 1 50 50 GLN C C 50 179.539 179.539 178.367 1.172 19391 1037 1 3 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.999 0.214 19391 1038 1 3 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.270 1.095 19391 1039 1 3 . 1 1 50 50 GLN H H 50 7.333 7.333 8.362 -1.029 19391 1040 1 3 . 1 1 51 51 LEU N N 51 122.318 122.318 120.446 1.872 19391 1041 1 3 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.076 -0.264 19391 1042 1 3 . 1 1 51 51 LEU C C 51 177.948 177.948 178.237 -0.289 19391 1043 1 3 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.442 0.702 19391 1044 1 3 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.972 1.479 19391 1045 1 3 . 1 1 51 51 LEU H H 51 7.957 7.957 7.810 0.147 19391 1046 1 3 . 1 1 52 52 ALA N N 52 120.627 120.627 121.948 -1.321 19391 1047 1 3 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.908 0.002 19391 1048 1 3 . 1 1 52 52 ALA C C 52 181.360 181.360 179.491 1.869 19391 1049 1 3 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.121 -0.227 19391 1050 1 3 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.476 -0.290 19391 1051 1 3 . 1 1 52 52 ALA H H 52 9.134 9.134 8.260 0.874 19391 1052 1 3 . 1 1 53 53 ARG N N 53 118.087 118.087 117.933 0.154 19391 1053 1 3 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.951 0.159 19391 1054 1 3 . 1 1 53 53 ARG C C 53 178.186 178.186 178.641 -0.455 19391 1055 1 3 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.014 0.282 19391 1056 1 3 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.224 0.331 19391 1057 1 3 . 1 1 53 53 ARG H H 53 8.095 8.095 7.880 0.215 19391 1058 1 3 . 1 1 54 54 TYR N N 54 119.692 119.692 119.547 0.145 19391 1059 1 3 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.205 0.172 19391 1060 1 3 . 1 1 54 54 TYR C C 54 177.809 177.809 177.446 0.363 19391 1061 1 3 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.941 0.401 19391 1062 1 3 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.878 1.521 19391 1063 1 3 . 1 1 54 54 TYR H H 54 7.584 7.584 7.662 -0.078 19391 1064 1 3 . 1 1 55 55 LEU N N 55 117.313 117.313 116.366 0.947 19391 1065 1 3 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.529 -0.374 19391 1066 1 3 . 1 1 55 55 LEU C C 55 178.784 178.784 177.364 1.420 19391 1067 1 3 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.523 1.265 19391 1068 1 3 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.071 1.712 19391 1069 1 3 . 1 1 55 55 LEU H H 55 8.279 8.279 7.764 0.515 19391 1070 1 3 . 1 1 56 56 GLY N N 56 108.526 108.526 106.561 1.965 19391 1071 1 3 . 1 1 56 56 GLY C C 56 174.749 174.749 174.555 0.194 19391 1072 1 3 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.544 0.207 19391 1073 1 3 . 1 1 56 56 GLY H H 56 7.911 7.911 7.931 -0.020 19391 1074 1 3 . 1 1 57 57 GLY N N 57 109.514 109.514 115.212 -5.698 19391 1075 1 3 . 1 1 57 57 GLY C C 57 175.034 175.034 175.278 -0.244 19391 1076 1 3 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.195 0.453 19391 1077 1 3 . 1 1 57 57 GLY H H 57 8.644 8.644 7.852 0.792 19391 1078 1 3 . 1 1 58 58 SER N N 58 114.666 114.666 117.099 -2.433 19391 1079 1 3 . 1 1 58 58 SER HA H 58 4.355 4.355 4.280 0.075 19391 1080 1 3 . 1 1 58 58 SER C C 58 173.748 173.748 174.737 -0.989 19391 1081 1 3 . 1 1 58 58 SER CA C 58 60.013 60.013 59.951 0.062 19391 1082 1 3 . 1 1 58 58 SER CB C 58 64.173 64.173 63.900 0.273 19391 1083 1 3 . 1 1 58 58 SER H H 58 8.058 8.058 8.340 -0.282 19391 1084 1 3 . 1 1 59 59 MET N N 59 118.467 118.467 119.854 -1.387 19391 1085 1 3 . 1 1 59 59 MET HA H 59 4.475 4.475 4.547 -0.072 19391 1086 1 3 . 1 1 59 59 MET C C 59 172.909 172.909 173.283 -0.374 19391 1087 1 3 . 1 1 59 59 MET CA C 59 56.185 56.185 56.166 0.019 19391 1088 1 3 . 1 1 59 59 MET CB C 59 35.552 35.552 35.342 0.210 19391 1089 1 3 . 1 1 59 59 MET H H 59 7.442 7.442 7.744 -0.302 19391 1090 1 3 . 1 1 60 60 ASP N N 60 121.779 121.779 124.029 -2.250 19391 1091 1 3 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.649 0.045 19391 1092 1 3 . 1 1 60 60 ASP C C 60 176.867 176.867 174.905 1.962 19391 1093 1 3 . 1 1 60 60 ASP CA C 60 53.281 53.281 54.284 -1.003 19391 1094 1 3 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.212 0.768 19391 1095 1 3 . 1 1 60 60 ASP H H 60 8.401 8.401 8.572 -0.171 19391 1096 1 3 . 1 1 61 61 LEU N N 61 126.474 126.474 125.401 1.073 19391 1097 1 3 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.631 -0.237 19391 1098 1 3 . 1 1 61 61 LEU C C 61 178.536 178.536 177.881 0.655 19391 1099 1 3 . 1 1 61 61 LEU CA C 61 54.039 54.039 53.927 0.112 19391 1100 1 3 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.267 -0.655 19391 1101 1 3 . 1 1 61 61 LEU H H 61 9.015 9.015 8.523 0.492 19391 1102 1 3 . 1 1 62 62 SER N N 62 120.014 120.014 117.955 2.059 19391 1103 1 3 . 1 1 62 62 SER HA H 62 4.125 4.125 4.142 -0.017 19391 1104 1 3 . 1 1 62 62 SER C C 62 176.669 176.669 175.511 1.158 19391 1105 1 3 . 1 1 62 62 SER CA C 62 63.345 63.345 62.636 0.709 19391 1106 1 3 . 1 1 62 62 SER CB C 62 62.553 62.553 63.067 -0.514 19391 1107 1 3 . 1 1 62 62 SER H H 62 8.871 8.871 8.824 0.047 19391 1108 1 3 . 1 1 63 63 THR N N 63 110.495 110.495 112.690 -2.195 19391 1109 1 3 . 1 1 63 63 THR HA H 63 4.510 4.510 4.446 0.064 19391 1110 1 3 . 1 1 63 63 THR C C 63 173.862 173.862 173.758 0.104 19391 1111 1 3 . 1 1 63 63 THR CA C 63 61.006 61.006 61.082 -0.076 19391 1112 1 3 . 1 1 63 63 THR CB C 63 67.976 67.976 68.461 -0.485 19391 1113 1 3 . 1 1 63 63 THR H H 63 8.363 8.363 8.033 0.330 19391 1114 1 3 . 1 1 64 64 PHE N N 64 123.605 123.605 123.890 -0.285 19391 1115 1 3 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.790 -0.174 19391 1116 1 3 . 1 1 64 64 PHE C C 64 173.716 173.716 174.113 -0.397 19391 1117 1 3 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.165 0.852 19391 1118 1 3 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.626 -0.682 19391 1119 1 3 . 1 1 64 64 PHE H H 64 7.472 7.472 8.297 -0.825 19391 1120 1 3 . 1 1 65 65 ASP N N 65 129.564 129.564 127.447 2.117 19391 1121 1 3 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.424 0.103 19391 1122 1 3 . 1 1 65 65 ASP C C 65 173.973 173.973 175.268 -1.295 19391 1123 1 3 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.434 0.379 19391 1124 1 3 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.416 0.533 19391 1125 1 3 . 1 1 65 65 ASP H H 65 8.574 8.574 8.516 0.058 19391 1126 1 3 . 1 1 66 66 PHE N N 66 128.221 128.221 128.241 -0.020 19391 1127 1 3 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.252 -0.595 19391 1128 1 3 . 1 1 66 66 PHE C C 66 177.535 177.535 176.032 1.503 19391 1129 1 3 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.548 1.198 19391 1130 1 3 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.836 1.406 19391 1131 1 3 . 1 1 66 66 PHE H H 66 8.886 8.886 8.354 0.532 19391 1132 1 3 . 1 1 67 67 ARG N N 67 116.246 116.246 116.909 -0.663 19391 1133 1 3 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.009 0.752 19391 1134 1 3 . 1 1 67 67 ARG C C 67 178.024 178.024 177.694 0.330 19391 1135 1 3 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.233 1.428 19391 1136 1 3 . 1 1 67 67 ARG CB C 67 29.729 29.729 30.174 -0.445 19391 1137 1 3 . 1 1 67 67 ARG H H 67 8.804 8.804 8.133 0.671 19391 1138 1 3 . 1 1 68 68 THR N N 68 105.409 105.409 108.226 -2.817 19391 1139 1 3 . 1 1 68 68 THR HA H 68 4.199 4.199 4.281 -0.082 19391 1140 1 3 . 1 1 68 68 THR C C 68 176.417 176.417 174.870 1.547 19391 1141 1 3 . 1 1 68 68 THR CA C 68 62.233 62.233 61.712 0.521 19391 1142 1 3 . 1 1 68 68 THR CB C 68 71.221 71.221 70.079 1.142 19391 1143 1 3 . 1 1 68 68 THR H H 68 7.407 7.407 8.212 -0.805 19391 1144 1 3 . 1 1 69 69 GLY N N 69 113.199 113.199 111.430 1.769 19391 1145 1 3 . 1 1 69 69 GLY CA C 69 47.214 47.214 46.023 1.191 19391 1146 1 3 . 1 1 69 69 GLY H H 69 8.344 8.344 7.951 0.393 19391 1147 1 3 . 1 1 70 70 LYS N N 70 116.533 116.533 117.451 -0.918 19391 1148 1 3 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.745 -0.347 19391 1149 1 3 . 1 1 70 70 LYS C C 70 175.022 175.022 174.933 0.089 19391 1150 1 3 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.768 0.845 19391 1151 1 3 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.403 -1.327 19391 1152 1 3 . 1 1 70 70 LYS H H 70 6.887 6.887 6.956 -0.069 19391 1153 1 3 . 1 1 71 71 MET N N 71 119.590 119.590 123.203 -3.613 19391 1154 1 3 . 1 1 71 71 MET HA H 71 4.770 4.770 4.676 0.094 19391 1155 1 3 . 1 1 71 71 MET C C 71 175.810 175.810 174.909 0.901 19391 1156 1 3 . 1 1 71 71 MET CA C 71 54.296 54.296 55.648 -1.352 19391 1157 1 3 . 1 1 71 71 MET CB C 71 32.118 32.118 33.690 -1.572 19391 1158 1 3 . 1 1 71 71 MET H H 71 8.423 8.423 8.715 -0.292 19391 1159 1 4 . 1 1 2 2 SER HA H 2 4.500 4.500 4.652 -0.152 19391 1160 1 4 . 1 1 2 2 SER C C 2 174.803 174.803 175.001 -0.198 19391 1161 1 4 . 1 1 2 2 SER CA C 2 58.624 58.624 58.209 0.415 19391 1162 1 4 . 1 1 2 2 SER CB C 2 63.986 63.986 64.017 -0.031 19391 1163 1 4 . 1 1 3 3 MET N N 3 122.348 122.348 124.008 -1.660 19391 1164 1 4 . 1 1 3 3 MET HA H 3 4.546 4.546 4.531 0.015 19391 1165 1 4 . 1 1 3 3 MET C C 3 175.969 175.969 175.537 0.432 19391 1166 1 4 . 1 1 3 3 MET CA C 3 55.560 55.560 55.119 0.441 19391 1167 1 4 . 1 1 3 3 MET CB C 3 32.667 32.667 33.316 -0.649 19391 1168 1 4 . 1 1 3 3 MET H H 3 8.636 8.636 7.797 0.839 19391 1169 1 4 . 1 1 4 4 GLU N N 4 121.792 121.792 122.218 -0.426 19391 1170 1 4 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.158 0.145 19391 1171 1 4 . 1 1 4 4 GLU C C 4 175.884 175.884 176.118 -0.234 19391 1172 1 4 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.101 0.430 19391 1173 1 4 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.203 0.391 19391 1174 1 4 . 1 1 4 4 GLU H H 4 8.337 8.337 8.492 -0.155 19391 1175 1 4 . 1 1 5 5 ARG N N 5 122.592 122.592 121.626 0.966 19391 1176 1 4 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.034 0.495 19391 1177 1 4 . 1 1 5 5 ARG C C 5 175.556 175.556 177.001 -1.445 19391 1178 1 4 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.611 -0.604 19391 1179 1 4 . 1 1 5 5 ARG CB C 5 31.177 31.177 30.838 0.339 19391 1180 1 4 . 1 1 5 5 ARG H H 5 8.319 8.319 8.469 -0.150 19391 1181 1 4 . 1 1 6 6 LYS N N 6 123.750 123.750 121.618 2.132 19391 1182 1 4 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.142 0.263 19391 1183 1 4 . 1 1 6 6 LYS C C 6 174.335 174.335 175.703 -1.368 19391 1184 1 4 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.416 0.171 19391 1185 1 4 . 1 1 6 6 LYS CB C 6 34.698 34.698 31.210 3.488 19391 1186 1 4 . 1 1 6 6 LYS H H 6 8.372 8.372 8.010 0.362 19391 1187 1 4 . 1 1 7 7 ARG N N 7 121.789 121.789 123.739 -1.950 19391 1188 1 4 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.536 0.489 19391 1189 1 4 . 1 1 7 7 ARG C C 7 174.998 174.998 175.758 -0.760 19391 1190 1 4 . 1 1 7 7 ARG CA C 7 54.877 54.877 56.341 -1.464 19391 1191 1 4 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.568 1.517 19391 1192 1 4 . 1 1 7 7 ARG H H 7 7.894 7.894 7.982 -0.088 19391 1193 1 4 . 1 1 8 8 TRP N N 8 122.774 122.774 118.321 4.453 19391 1194 1 4 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.777 0.194 19391 1195 1 4 . 1 1 8 8 TRP C C 8 175.679 175.679 174.723 0.956 19391 1196 1 4 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.619 -0.277 19391 1197 1 4 . 1 1 8 8 TRP CB C 8 33.044 33.044 33.496 -0.452 19391 1198 1 4 . 1 1 8 8 TRP H H 8 9.002 9.002 8.430 0.572 19391 1199 1 4 . 1 1 9 9 GLU N N 9 121.587 121.587 121.659 -0.072 19391 1200 1 4 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.619 -0.145 19391 1201 1 4 . 1 1 9 9 GLU C C 9 176.133 176.133 175.769 0.364 19391 1202 1 4 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.304 1.183 19391 1203 1 4 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.767 -0.513 19391 1204 1 4 . 1 1 9 9 GLU H H 9 8.879 8.879 8.862 0.017 19391 1205 1 4 . 1 1 10 10 CYS N N 10 122.770 122.770 125.001 -2.231 19391 1206 1 4 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.038 0.187 19391 1207 1 4 . 1 1 10 10 CYS C C 10 173.480 173.480 174.234 -0.754 19391 1208 1 4 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.265 0.786 19391 1209 1 4 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.850 0.425 19391 1210 1 4 . 1 1 10 10 CYS H H 10 8.351 8.351 9.159 -0.808 19391 1211 1 4 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.282 0.362 19391 1212 1 4 . 1 1 11 11 PRO C C 11 176.160 176.160 177.109 -0.949 19391 1213 1 4 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.786 -0.022 19391 1214 1 4 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.043 0.162 19391 1215 1 4 . 1 1 12 12 ALA N N 12 118.459 118.459 117.927 0.532 19391 1216 1 4 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.107 0.157 19391 1217 1 4 . 1 1 12 12 ALA C C 12 176.998 176.998 177.575 -0.577 19391 1218 1 4 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.638 0.536 19391 1219 1 4 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.817 1.379 19391 1220 1 4 . 1 1 12 12 ALA H H 12 7.635 7.635 8.154 -0.519 19391 1221 1 4 . 1 1 13 13 LEU N N 13 117.171 117.171 120.279 -3.108 19391 1222 1 4 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.373 -0.058 19391 1223 1 4 . 1 1 13 13 LEU C C 13 173.277 173.277 174.606 -1.329 19391 1224 1 4 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.136 0.021 19391 1225 1 4 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.978 -0.998 19391 1226 1 4 . 1 1 13 13 LEU H H 13 7.449 7.449 7.521 -0.072 19391 1227 1 4 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.323 0.111 19391 1228 1 4 . 1 1 14 14 PRO C C 14 174.999 174.999 176.303 -1.304 19391 1229 1 4 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.491 0.207 19391 1230 1 4 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.038 -0.227 19391 1231 1 4 . 1 1 15 15 GLN N N 15 120.091 120.091 122.360 -2.269 19391 1232 1 4 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.092 0.057 19391 1233 1 4 . 1 1 15 15 GLN C C 15 177.099 177.099 176.772 0.327 19391 1234 1 4 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.859 0.473 19391 1235 1 4 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.470 0.386 19391 1236 1 4 . 1 1 15 15 GLN H H 15 8.368 8.368 8.558 -0.190 19391 1237 1 4 . 1 1 16 16 GLY N N 16 113.023 113.023 111.185 1.838 19391 1238 1 4 . 1 1 16 16 GLY C C 16 174.735 174.735 174.257 0.478 19391 1239 1 4 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.621 0.672 19391 1240 1 4 . 1 1 16 16 GLY H H 16 8.828 8.828 8.764 0.064 19391 1241 1 4 . 1 1 17 17 TRP N N 17 121.152 121.152 122.045 -0.893 19391 1242 1 4 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.099 -0.282 19391 1243 1 4 . 1 1 17 17 TRP C C 17 177.275 177.275 176.137 1.138 19391 1244 1 4 . 1 1 17 17 TRP CA C 17 59.153 59.153 56.831 2.321 19391 1245 1 4 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.366 -0.076 19391 1246 1 4 . 1 1 17 17 TRP H H 17 8.006 8.006 8.197 -0.191 19391 1247 1 4 . 1 1 18 18 GLU N N 18 120.147 120.147 118.294 1.853 19391 1248 1 4 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.962 0.293 19391 1249 1 4 . 1 1 18 18 GLU C C 18 174.373 174.373 175.054 -0.681 19391 1250 1 4 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.657 -0.566 19391 1251 1 4 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.939 0.436 19391 1252 1 4 . 1 1 18 18 GLU H H 18 8.934 8.934 8.481 0.453 19391 1253 1 4 . 1 1 19 19 ARG N N 19 122.215 122.215 119.674 2.541 19391 1254 1 4 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.450 -0.444 19391 1255 1 4 . 1 1 19 19 ARG C C 19 174.040 174.040 174.461 -0.421 19391 1256 1 4 . 1 1 19 19 ARG CA C 19 54.366 54.366 53.841 0.525 19391 1257 1 4 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.626 0.264 19391 1258 1 4 . 1 1 19 19 ARG H H 19 9.300 9.300 8.625 0.675 19391 1259 1 4 . 1 1 20 20 GLU N N 20 127.885 127.885 119.391 8.494 19391 1260 1 4 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.755 0.530 19391 1261 1 4 . 1 1 20 20 GLU C C 20 173.582 173.582 174.178 -0.596 19391 1262 1 4 . 1 1 20 20 GLU CA C 20 54.454 54.454 55.254 -0.800 19391 1263 1 4 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.641 1.931 19391 1264 1 4 . 1 1 20 20 GLU H H 20 9.460 9.460 8.590 0.870 19391 1265 1 4 . 1 1 21 21 GLU N N 21 123.590 123.590 126.252 -2.662 19391 1266 1 4 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.944 0.373 19391 1267 1 4 . 1 1 21 21 GLU C C 21 176.091 176.091 175.348 0.743 19391 1268 1 4 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.391 -0.933 19391 1269 1 4 . 1 1 21 21 GLU CB C 21 32.852 32.852 31.891 0.961 19391 1270 1 4 . 1 1 21 21 GLU H H 21 8.580 8.580 8.346 0.234 19391 1271 1 4 . 1 1 22 22 VAL N N 22 123.718 123.718 128.512 -4.794 19391 1272 1 4 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.494 0.274 19391 1273 1 4 . 1 1 22 22 VAL C C 22 169.573 169.573 173.670 -4.097 19391 1274 1 4 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.102 -0.113 19391 1275 1 4 . 1 1 22 22 VAL CB C 22 35.259 35.259 32.757 2.502 19391 1276 1 4 . 1 1 22 22 VAL H H 22 9.177 9.177 9.047 0.130 19391 1277 1 4 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.432 0.323 19391 1278 1 4 . 1 1 23 23 PRO C C 23 176.679 176.679 176.424 0.255 19391 1279 1 4 . 1 1 23 23 PRO CA C 23 62.464 62.464 63.141 -0.676 19391 1280 1 4 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.855 0.243 19391 1281 1 4 . 1 1 24 24 ARG N N 24 123.629 123.629 123.571 0.058 19391 1282 1 4 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.528 -0.040 19391 1283 1 4 . 1 1 24 24 ARG C C 24 177.926 177.926 176.993 0.933 19391 1284 1 4 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.539 0.891 19391 1285 1 4 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.704 -0.716 19391 1286 1 4 . 1 1 24 24 ARG H H 24 8.726 8.726 8.576 0.150 19391 1287 1 4 . 1 1 25 25 ARG N N 25 124.327 124.327 119.520 4.807 19391 1288 1 4 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.555 -0.212 19391 1289 1 4 . 1 1 25 25 ARG C C 25 176.213 176.213 175.986 0.227 19391 1290 1 4 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.627 1.843 19391 1291 1 4 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.587 0.621 19391 1292 1 4 . 1 1 25 25 ARG H H 25 9.070 9.070 8.783 0.287 19391 1293 1 4 . 1 1 26 26 SER N N 26 114.348 114.348 116.099 -1.751 19391 1294 1 4 . 1 1 26 26 SER HA H 26 4.652 4.652 4.491 0.161 19391 1295 1 4 . 1 1 26 26 SER C C 26 173.704 173.704 175.161 -1.457 19391 1296 1 4 . 1 1 26 26 SER CA C 26 57.727 57.727 57.921 -0.194 19391 1297 1 4 . 1 1 26 26 SER CB C 26 65.099 65.099 64.368 0.731 19391 1298 1 4 . 1 1 26 26 SER H H 26 8.071 8.071 7.965 0.106 19391 1299 1 4 . 1 1 27 27 GLY N N 27 108.224 108.224 108.975 -0.751 19391 1300 1 4 . 1 1 27 27 GLY C C 27 175.321 175.321 176.553 -1.232 19391 1301 1 4 . 1 1 27 27 GLY CA C 27 45.163 45.163 46.637 -1.474 19391 1302 1 4 . 1 1 27 27 GLY H H 27 8.433 8.433 8.661 -0.228 19391 1303 1 4 . 1 1 28 28 LEU N N 28 122.251 122.251 121.087 1.164 19391 1304 1 4 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.283 -0.034 19391 1305 1 4 . 1 1 28 28 LEU C C 28 178.691 178.691 177.364 1.327 19391 1306 1 4 . 1 1 28 28 LEU CA C 28 56.793 56.793 57.043 -0.250 19391 1307 1 4 . 1 1 28 28 LEU CB C 28 42.183 42.183 41.283 0.900 19391 1308 1 4 . 1 1 28 28 LEU H H 28 8.752 8.752 8.235 0.517 19391 1309 1 4 . 1 1 29 29 SER N N 29 113.375 113.375 111.229 2.146 19391 1310 1 4 . 1 1 29 29 SER HA H 29 4.440 4.440 3.775 0.665 19391 1311 1 4 . 1 1 29 29 SER C C 29 173.707 173.707 174.390 -0.683 19391 1312 1 4 . 1 1 29 29 SER CA C 29 57.782 57.782 58.258 -0.476 19391 1313 1 4 . 1 1 29 29 SER CB C 29 63.353 63.353 62.516 0.837 19391 1314 1 4 . 1 1 29 29 SER H H 29 8.397 8.397 7.956 0.441 19391 1315 1 4 . 1 1 30 30 ALA N N 30 124.539 124.539 123.327 1.212 19391 1316 1 4 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.412 -0.500 19391 1317 1 4 . 1 1 30 30 ALA C C 30 178.198 178.198 178.436 -0.238 19391 1318 1 4 . 1 1 30 30 ALA CA C 30 53.576 53.576 52.955 0.621 19391 1319 1 4 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.049 -0.627 19391 1320 1 4 . 1 1 30 30 ALA H H 30 7.623 7.623 7.471 0.152 19391 1321 1 4 . 1 1 31 31 GLY N N 31 109.642 109.642 112.408 -2.766 19391 1322 1 4 . 1 1 31 31 GLY C C 31 174.534 174.534 174.205 0.329 19391 1323 1 4 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.906 -0.664 19391 1324 1 4 . 1 1 31 31 GLY H H 31 8.713 8.713 8.926 -0.213 19391 1325 1 4 . 1 1 32 32 HIS N N 32 119.677 119.677 121.203 -1.526 19391 1326 1 4 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.518 0.046 19391 1327 1 4 . 1 1 32 32 HIS C C 32 174.544 174.544 174.417 0.127 19391 1328 1 4 . 1 1 32 32 HIS CA C 32 56.416 56.416 57.185 -0.769 19391 1329 1 4 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.192 -0.606 19391 1330 1 4 . 1 1 32 32 HIS H H 32 8.304 8.304 7.836 0.468 19391 1331 1 4 . 1 1 33 33 ARG N N 33 124.677 124.677 125.093 -0.416 19391 1332 1 4 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.670 -0.065 19391 1333 1 4 . 1 1 33 33 ARG C C 33 174.869 174.869 174.710 0.159 19391 1334 1 4 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.138 0.624 19391 1335 1 4 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.747 -0.547 19391 1336 1 4 . 1 1 33 33 ARG H H 33 8.731 8.731 8.591 0.140 19391 1337 1 4 . 1 1 34 34 ASP N N 34 124.378 124.378 125.380 -1.002 19391 1338 1 4 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.719 0.157 19391 1339 1 4 . 1 1 34 34 ASP C C 34 174.057 174.057 174.951 -0.894 19391 1340 1 4 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.407 0.638 19391 1341 1 4 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.753 1.099 19391 1342 1 4 . 1 1 34 34 ASP H H 34 8.387 8.387 8.640 -0.253 19391 1343 1 4 . 1 1 35 35 VAL N N 35 121.095 121.095 123.350 -2.255 19391 1344 1 4 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.787 -0.037 19391 1345 1 4 . 1 1 35 35 VAL C C 35 173.600 173.600 174.578 -0.978 19391 1346 1 4 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.725 0.632 19391 1347 1 4 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.509 1.569 19391 1348 1 4 . 1 1 35 35 VAL H H 35 8.023 8.023 8.136 -0.113 19391 1349 1 4 . 1 1 36 36 PHE N N 36 122.163 122.163 125.309 -3.146 19391 1350 1 4 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.710 0.888 19391 1351 1 4 . 1 1 36 36 PHE C C 36 174.164 174.164 173.674 0.490 19391 1352 1 4 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.671 -1.963 19391 1353 1 4 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.797 1.181 19391 1354 1 4 . 1 1 36 36 PHE H H 36 8.710 8.710 8.416 0.294 19391 1355 1 4 . 1 1 37 37 TYR N N 37 116.406 116.406 118.245 -1.839 19391 1356 1 4 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.228 0.459 19391 1357 1 4 . 1 1 37 37 TYR C C 37 174.694 174.694 174.152 0.542 19391 1358 1 4 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.082 0.782 19391 1359 1 4 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.817 1.660 19391 1360 1 4 . 1 1 37 37 TYR H H 37 8.552 8.552 8.255 0.297 19391 1361 1 4 . 1 1 38 38 TYR N N 38 118.594 118.594 118.182 0.412 19391 1362 1 4 . 1 1 38 38 TYR HA H 38 5.744 5.744 4.577 1.167 19391 1363 1 4 . 1 1 38 38 TYR C C 38 175.481 175.481 175.002 0.479 19391 1364 1 4 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.575 0.375 19391 1365 1 4 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.020 0.267 19391 1366 1 4 . 1 1 38 38 TYR H H 38 9.445 9.445 9.093 0.352 19391 1367 1 4 . 1 1 39 39 SER N N 39 118.327 118.327 116.140 2.187 19391 1368 1 4 . 1 1 39 39 SER HA H 39 2.098 2.098 4.164 -2.066 19391 1369 1 4 . 1 1 39 39 SER C C 39 174.399 174.399 174.408 -0.009 19391 1370 1 4 . 1 1 39 39 SER CA C 39 55.375 55.375 54.565 0.810 19391 1371 1 4 . 1 1 39 39 SER CB C 39 62.873 62.873 62.688 0.185 19391 1372 1 4 . 1 1 39 39 SER H H 39 8.808 8.808 7.745 1.063 19391 1373 1 4 . 1 1 41 41 SER HA H 41 4.452 4.452 4.479 -0.027 19391 1374 1 4 . 1 1 41 41 SER C C 41 174.963 174.963 175.420 -0.457 19391 1375 1 4 . 1 1 41 41 SER CA C 41 57.861 57.861 58.399 -0.538 19391 1376 1 4 . 1 1 41 41 SER CB C 41 63.763 63.763 63.053 0.710 19391 1377 1 4 . 1 1 42 42 GLY N N 42 111.741 111.741 109.612 2.129 19391 1378 1 4 . 1 1 42 42 GLY C C 42 173.938 173.938 173.547 0.391 19391 1379 1 4 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.150 0.279 19391 1380 1 4 . 1 1 42 42 GLY H H 42 8.292 8.292 8.224 0.068 19391 1381 1 4 . 1 1 43 43 LYS N N 43 122.381 122.381 122.100 0.281 19391 1382 1 4 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.214 -0.123 19391 1383 1 4 . 1 1 43 43 LYS C C 43 174.049 174.049 175.515 -1.466 19391 1384 1 4 . 1 1 43 43 LYS CA C 43 56.509 56.509 55.869 0.640 19391 1385 1 4 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.014 -0.224 19391 1386 1 4 . 1 1 43 43 LYS H H 43 7.361 7.361 7.479 -0.118 19391 1387 1 4 . 1 1 44 44 LYS N N 44 125.831 125.831 128.451 -2.620 19391 1388 1 4 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.041 0.453 19391 1389 1 4 . 1 1 44 44 LYS C C 44 175.970 175.970 175.351 0.619 19391 1390 1 4 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.797 -0.088 19391 1391 1 4 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.247 2.393 19391 1392 1 4 . 1 1 44 44 LYS H H 44 8.078 8.078 8.424 -0.346 19391 1393 1 4 . 1 1 45 45 PHE N N 45 124.636 124.636 123.448 1.188 19391 1394 1 4 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.063 -0.281 19391 1395 1 4 . 1 1 45 45 PHE C C 45 176.205 176.205 173.520 2.685 19391 1396 1 4 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.270 1.683 19391 1397 1 4 . 1 1 45 45 PHE CB C 45 42.976 42.976 40.765 2.211 19391 1398 1 4 . 1 1 45 45 PHE H H 45 9.707 9.707 7.531 2.176 19391 1399 1 4 . 1 1 46 46 ARG N N 46 117.959 117.959 121.385 -3.426 19391 1400 1 4 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.865 0.535 19391 1401 1 4 . 1 1 46 46 ARG C C 46 175.059 175.059 175.758 -0.699 19391 1402 1 4 . 1 1 46 46 ARG CA C 46 55.322 55.322 56.388 -1.066 19391 1403 1 4 . 1 1 46 46 ARG CB C 46 33.383 33.383 33.359 0.024 19391 1404 1 4 . 1 1 46 46 ARG H H 46 9.430 9.430 9.228 0.202 19391 1405 1 4 . 1 1 47 47 SER N N 47 115.115 115.115 117.133 -2.018 19391 1406 1 4 . 1 1 47 47 SER HA H 47 4.069 4.069 4.044 0.025 19391 1407 1 4 . 1 1 47 47 SER C C 47 172.762 172.762 174.983 -2.221 19391 1408 1 4 . 1 1 47 47 SER CA C 47 56.797 56.797 59.248 -2.451 19391 1409 1 4 . 1 1 47 47 SER CB C 47 66.892 66.892 63.615 3.276 19391 1410 1 4 . 1 1 47 47 SER H H 47 7.926 7.926 8.369 -0.443 19391 1411 1 4 . 1 1 48 48 LYS N N 48 122.914 122.914 125.608 -2.694 19391 1412 1 4 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.135 -0.036 19391 1413 1 4 . 1 1 48 48 LYS CA C 48 61.570 61.570 61.011 0.558 19391 1414 1 4 . 1 1 48 48 LYS CB C 48 30.250 30.250 31.068 -0.818 19391 1415 1 4 . 1 1 48 48 LYS H H 48 8.994 8.994 8.398 0.596 19391 1416 1 4 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.181 0.203 19391 1417 1 4 . 1 1 49 49 PRO C C 49 179.505 179.505 178.698 0.807 19391 1418 1 4 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.913 0.349 19391 1419 1 4 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.003 0.251 19391 1420 1 4 . 1 1 50 50 GLN N N 50 116.141 116.141 117.462 -1.321 19391 1421 1 4 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.140 0.019 19391 1422 1 4 . 1 1 50 50 GLN C C 50 179.539 179.539 178.150 1.389 19391 1423 1 4 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.708 0.505 19391 1424 1 4 . 1 1 50 50 GLN CB C 50 29.365 29.365 27.768 1.597 19391 1425 1 4 . 1 1 50 50 GLN H H 50 7.333 7.333 8.608 -1.275 19391 1426 1 4 . 1 1 51 51 LEU N N 51 122.318 122.318 121.606 0.712 19391 1427 1 4 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.680 0.132 19391 1428 1 4 . 1 1 51 51 LEU C C 51 177.948 177.948 178.208 -0.260 19391 1429 1 4 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.695 0.449 19391 1430 1 4 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.734 1.717 19391 1431 1 4 . 1 1 51 51 LEU H H 51 7.957 7.957 7.615 0.342 19391 1432 1 4 . 1 1 52 52 ALA N N 52 120.627 120.627 121.164 -0.537 19391 1433 1 4 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.890 0.020 19391 1434 1 4 . 1 1 52 52 ALA C C 52 181.360 181.360 178.976 2.384 19391 1435 1 4 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.124 -0.230 19391 1436 1 4 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.245 -0.059 19391 1437 1 4 . 1 1 52 52 ALA H H 52 9.134 9.134 8.199 0.935 19391 1438 1 4 . 1 1 53 53 ARG N N 53 118.087 118.087 119.580 -1.493 19391 1439 1 4 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.924 0.186 19391 1440 1 4 . 1 1 53 53 ARG C C 53 178.186 178.186 177.953 0.233 19391 1441 1 4 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.228 0.068 19391 1442 1 4 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.232 0.323 19391 1443 1 4 . 1 1 53 53 ARG H H 53 8.095 8.095 7.805 0.290 19391 1444 1 4 . 1 1 54 54 TYR N N 54 119.692 119.692 118.431 1.261 19391 1445 1 4 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.161 0.216 19391 1446 1 4 . 1 1 54 54 TYR C C 54 177.809 177.809 178.069 -0.260 19391 1447 1 4 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.882 0.460 19391 1448 1 4 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.567 1.832 19391 1449 1 4 . 1 1 54 54 TYR H H 54 7.584 7.584 7.783 -0.199 19391 1450 1 4 . 1 1 55 55 LEU N N 55 117.313 117.313 117.614 -0.301 19391 1451 1 4 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.046 0.109 19391 1452 1 4 . 1 1 55 55 LEU C C 55 178.784 178.784 177.449 1.335 19391 1453 1 4 . 1 1 55 55 LEU CA C 55 55.788 55.788 56.426 -0.638 19391 1454 1 4 . 1 1 55 55 LEU CB C 55 42.783 42.783 42.418 0.365 19391 1455 1 4 . 1 1 55 55 LEU H H 55 8.279 8.279 7.636 0.643 19391 1456 1 4 . 1 1 56 56 GLY N N 56 108.526 108.526 105.506 3.020 19391 1457 1 4 . 1 1 56 56 GLY C C 56 174.749 174.749 175.339 -0.590 19391 1458 1 4 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.074 1.677 19391 1459 1 4 . 1 1 56 56 GLY H H 56 7.911 7.911 8.119 -0.208 19391 1460 1 4 . 1 1 57 57 GLY N N 57 109.514 109.514 110.105 -0.591 19391 1461 1 4 . 1 1 57 57 GLY C C 57 175.034 175.034 174.513 0.521 19391 1462 1 4 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.936 -0.288 19391 1463 1 4 . 1 1 57 57 GLY H H 57 8.644 8.644 8.774 -0.130 19391 1464 1 4 . 1 1 58 58 SER N N 58 114.666 114.666 115.674 -1.008 19391 1465 1 4 . 1 1 58 58 SER HA H 58 4.355 4.355 4.489 -0.134 19391 1466 1 4 . 1 1 58 58 SER C C 58 173.748 173.748 174.901 -1.153 19391 1467 1 4 . 1 1 58 58 SER CA C 58 60.013 60.013 58.847 1.166 19391 1468 1 4 . 1 1 58 58 SER CB C 58 64.173 64.173 63.879 0.294 19391 1469 1 4 . 1 1 58 58 SER H H 58 8.058 8.058 8.281 -0.223 19391 1470 1 4 . 1 1 59 59 MET N N 59 118.467 118.467 118.457 0.010 19391 1471 1 4 . 1 1 59 59 MET HA H 59 4.475 4.475 4.626 -0.151 19391 1472 1 4 . 1 1 59 59 MET C C 59 172.909 172.909 173.956 -1.047 19391 1473 1 4 . 1 1 59 59 MET CA C 59 56.185 56.185 54.744 1.441 19391 1474 1 4 . 1 1 59 59 MET CB C 59 35.552 35.552 34.645 0.907 19391 1475 1 4 . 1 1 59 59 MET H H 59 7.442 7.442 7.537 -0.095 19391 1476 1 4 . 1 1 60 60 ASP N N 60 121.779 121.779 122.125 -0.346 19391 1477 1 4 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.786 -0.092 19391 1478 1 4 . 1 1 60 60 ASP C C 60 176.867 176.867 175.834 1.033 19391 1479 1 4 . 1 1 60 60 ASP CA C 60 53.281 53.281 54.085 -0.804 19391 1480 1 4 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.202 0.778 19391 1481 1 4 . 1 1 60 60 ASP H H 60 8.401 8.401 8.477 -0.076 19391 1482 1 4 . 1 1 61 61 LEU N N 61 126.474 126.474 125.868 0.606 19391 1483 1 4 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.479 -0.085 19391 1484 1 4 . 1 1 61 61 LEU C C 61 178.536 178.536 178.261 0.275 19391 1485 1 4 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.667 -0.628 19391 1486 1 4 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.920 -0.307 19391 1487 1 4 . 1 1 61 61 LEU H H 61 9.015 9.015 8.065 0.950 19391 1488 1 4 . 1 1 62 62 SER N N 62 120.014 120.014 117.221 2.793 19391 1489 1 4 . 1 1 62 62 SER HA H 62 4.125 4.125 4.229 -0.103 19391 1490 1 4 . 1 1 62 62 SER C C 62 176.669 176.669 175.732 0.937 19391 1491 1 4 . 1 1 62 62 SER CA C 62 63.345 63.345 61.173 2.172 19391 1492 1 4 . 1 1 62 62 SER CB C 62 62.553 62.553 63.049 -0.496 19391 1493 1 4 . 1 1 62 62 SER H H 62 8.871 8.871 7.985 0.886 19391 1494 1 4 . 1 1 63 63 THR N N 63 110.495 110.495 112.473 -1.978 19391 1495 1 4 . 1 1 63 63 THR HA H 63 4.510 4.510 4.403 0.107 19391 1496 1 4 . 1 1 63 63 THR C C 63 173.862 173.862 174.227 -0.365 19391 1497 1 4 . 1 1 63 63 THR CA C 63 61.006 61.006 61.567 -0.561 19391 1498 1 4 . 1 1 63 63 THR CB C 63 67.976 67.976 69.007 -1.031 19391 1499 1 4 . 1 1 63 63 THR H H 63 8.363 8.363 7.758 0.605 19391 1500 1 4 . 1 1 64 64 PHE N N 64 123.605 123.605 124.356 -0.751 19391 1501 1 4 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.543 0.073 19391 1502 1 4 . 1 1 64 64 PHE C C 64 173.716 173.716 174.192 -0.476 19391 1503 1 4 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.734 0.283 19391 1504 1 4 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.730 0.214 19391 1505 1 4 . 1 1 64 64 PHE H H 64 7.472 7.472 8.358 -0.886 19391 1506 1 4 . 1 1 65 65 ASP N N 65 129.564 129.564 127.472 2.092 19391 1507 1 4 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.452 0.075 19391 1508 1 4 . 1 1 65 65 ASP C C 65 173.973 173.973 175.366 -1.393 19391 1509 1 4 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.443 0.370 19391 1510 1 4 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.518 0.430 19391 1511 1 4 . 1 1 65 65 ASP H H 65 8.574 8.574 8.379 0.195 19391 1512 1 4 . 1 1 66 66 PHE N N 66 128.221 128.221 128.485 -0.264 19391 1513 1 4 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.498 -0.841 19391 1514 1 4 . 1 1 66 66 PHE C C 66 177.535 177.535 176.882 0.653 19391 1515 1 4 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.616 1.130 19391 1516 1 4 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.993 1.249 19391 1517 1 4 . 1 1 66 66 PHE H H 66 8.886 8.886 8.426 0.460 19391 1518 1 4 . 1 1 67 67 ARG N N 67 116.246 116.246 115.839 0.407 19391 1519 1 4 . 1 1 67 67 ARG HA H 67 4.761 4.761 3.991 0.770 19391 1520 1 4 . 1 1 67 67 ARG C C 67 178.024 178.024 177.222 0.802 19391 1521 1 4 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.697 0.964 19391 1522 1 4 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.771 -0.042 19391 1523 1 4 . 1 1 67 67 ARG H H 67 8.804 8.804 8.154 0.650 19391 1524 1 4 . 1 1 68 68 THR N N 68 105.409 105.409 106.329 -0.920 19391 1525 1 4 . 1 1 68 68 THR HA H 68 4.199 4.199 4.322 -0.123 19391 1526 1 4 . 1 1 68 68 THR C C 68 176.417 176.417 174.928 1.489 19391 1527 1 4 . 1 1 68 68 THR CA C 68 62.233 62.233 61.933 0.300 19391 1528 1 4 . 1 1 68 68 THR CB C 68 71.221 71.221 70.614 0.607 19391 1529 1 4 . 1 1 68 68 THR H H 68 7.407 7.407 8.291 -0.884 19391 1530 1 4 . 1 1 69 69 GLY N N 69 113.199 113.199 110.887 2.312 19391 1531 1 4 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.888 1.327 19391 1532 1 4 . 1 1 69 69 GLY H H 69 8.344 8.344 7.904 0.440 19391 1533 1 4 . 1 1 70 70 LYS N N 70 116.533 116.533 117.701 -1.168 19391 1534 1 4 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.783 -0.385 19391 1535 1 4 . 1 1 70 70 LYS C C 70 175.022 175.022 175.077 -0.055 19391 1536 1 4 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.846 0.767 19391 1537 1 4 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.386 -1.311 19391 1538 1 4 . 1 1 70 70 LYS H H 70 6.887 6.887 6.928 -0.041 19391 1539 1 4 . 1 1 71 71 MET N N 71 119.590 119.590 122.913 -3.323 19391 1540 1 4 . 1 1 71 71 MET HA H 71 4.770 4.770 4.595 0.175 19391 1541 1 4 . 1 1 71 71 MET C C 71 175.810 175.810 174.888 0.922 19391 1542 1 4 . 1 1 71 71 MET CA C 71 54.296 54.296 56.182 -1.886 19391 1543 1 4 . 1 1 71 71 MET CB C 71 32.118 32.118 33.162 -1.044 19391 1544 1 4 . 1 1 71 71 MET H H 71 8.423 8.423 8.782 -0.359 19391 1545 1 5 . 1 1 2 2 SER HA H 2 4.500 4.500 4.428 0.072 19391 1546 1 5 . 1 1 2 2 SER C C 2 174.803 174.803 175.253 -0.450 19391 1547 1 5 . 1 1 2 2 SER CA C 2 58.624 58.624 57.761 0.863 19391 1548 1 5 . 1 1 2 2 SER CB C 2 63.986 63.986 63.982 0.004 19391 1549 1 5 . 1 1 3 3 MET N N 3 122.348 122.348 121.941 0.407 19391 1550 1 5 . 1 1 3 3 MET HA H 3 4.546 4.546 4.415 0.131 19391 1551 1 5 . 1 1 3 3 MET C C 3 175.969 175.969 175.535 0.434 19391 1552 1 5 . 1 1 3 3 MET CA C 3 55.560 55.560 55.325 0.235 19391 1553 1 5 . 1 1 3 3 MET CB C 3 32.667 32.667 30.776 1.891 19391 1554 1 5 . 1 1 3 3 MET H H 3 8.636 8.636 8.492 0.144 19391 1555 1 5 . 1 1 4 4 GLU N N 4 121.792 121.792 120.325 1.467 19391 1556 1 5 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.384 -0.081 19391 1557 1 5 . 1 1 4 4 GLU C C 4 175.884 175.884 175.620 0.264 19391 1558 1 5 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.688 0.843 19391 1559 1 5 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.782 -0.188 19391 1560 1 5 . 1 1 4 4 GLU H H 4 8.337 8.337 7.855 0.482 19391 1561 1 5 . 1 1 5 5 ARG N N 5 122.592 122.592 120.710 1.882 19391 1562 1 5 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.037 0.492 19391 1563 1 5 . 1 1 5 5 ARG C C 5 175.556 175.556 174.639 0.917 19391 1564 1 5 . 1 1 5 5 ARG CA C 5 56.007 56.007 57.008 -1.001 19391 1565 1 5 . 1 1 5 5 ARG CB C 5 31.177 31.177 29.872 1.305 19391 1566 1 5 . 1 1 5 5 ARG H H 5 8.319 8.319 8.504 -0.185 19391 1567 1 5 . 1 1 6 6 LYS N N 6 123.750 123.750 126.397 -2.647 19391 1568 1 5 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.302 0.103 19391 1569 1 5 . 1 1 6 6 LYS C C 6 174.335 174.335 174.791 -0.456 19391 1570 1 5 . 1 1 6 6 LYS CA C 6 55.587 55.587 54.791 0.796 19391 1571 1 5 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.481 1.217 19391 1572 1 5 . 1 1 6 6 LYS H H 6 8.372 8.372 7.816 0.556 19391 1573 1 5 . 1 1 7 7 ARG N N 7 121.789 121.789 126.097 -4.308 19391 1574 1 5 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.398 0.627 19391 1575 1 5 . 1 1 7 7 ARG C C 7 174.998 174.998 175.142 -0.144 19391 1576 1 5 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.440 -0.563 19391 1577 1 5 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.253 1.832 19391 1578 1 5 . 1 1 7 7 ARG H H 7 7.894 7.894 8.319 -0.425 19391 1579 1 5 . 1 1 8 8 TRP N N 8 122.774 122.774 126.617 -3.843 19391 1580 1 5 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.956 0.015 19391 1581 1 5 . 1 1 8 8 TRP C C 8 175.679 175.679 175.677 0.002 19391 1582 1 5 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.554 0.788 19391 1583 1 5 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.763 1.281 19391 1584 1 5 . 1 1 8 8 TRP H H 8 9.002 9.002 9.008 -0.006 19391 1585 1 5 . 1 1 9 9 GLU N N 9 121.587 121.587 120.534 1.053 19391 1586 1 5 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.376 0.098 19391 1587 1 5 . 1 1 9 9 GLU C C 9 176.133 176.133 175.753 0.380 19391 1588 1 5 . 1 1 9 9 GLU CA C 9 57.487 57.487 57.066 0.421 19391 1589 1 5 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.184 -0.930 19391 1590 1 5 . 1 1 9 9 GLU H H 9 8.879 8.879 8.802 0.077 19391 1591 1 5 . 1 1 10 10 CYS N N 10 122.770 122.770 124.911 -2.141 19391 1592 1 5 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.925 0.300 19391 1593 1 5 . 1 1 10 10 CYS C C 10 173.480 173.480 173.647 -0.167 19391 1594 1 5 . 1 1 10 10 CYS CA C 10 56.051 56.051 56.377 -0.326 19391 1595 1 5 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.902 0.373 19391 1596 1 5 . 1 1 10 10 CYS H H 10 8.351 8.351 8.307 0.044 19391 1597 1 5 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.446 0.198 19391 1598 1 5 . 1 1 11 11 PRO C C 11 176.160 176.160 176.896 -0.736 19391 1599 1 5 . 1 1 11 11 PRO CA C 11 64.764 64.764 63.930 0.834 19391 1600 1 5 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.227 -0.022 19391 1601 1 5 . 1 1 12 12 ALA N N 12 118.459 118.459 121.628 -3.169 19391 1602 1 5 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.282 -0.018 19391 1603 1 5 . 1 1 12 12 ALA C C 12 176.998 176.998 176.985 0.013 19391 1604 1 5 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.656 0.518 19391 1605 1 5 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.070 1.126 19391 1606 1 5 . 1 1 12 12 ALA H H 12 7.635 7.635 8.241 -0.606 19391 1607 1 5 . 1 1 13 13 LEU N N 13 117.171 117.171 118.830 -1.659 19391 1608 1 5 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.180 0.135 19391 1609 1 5 . 1 1 13 13 LEU C C 13 173.277 173.277 175.004 -1.727 19391 1610 1 5 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.161 -0.004 19391 1611 1 5 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.119 -0.139 19391 1612 1 5 . 1 1 13 13 LEU H H 13 7.449 7.449 7.730 -0.281 19391 1613 1 5 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.280 0.154 19391 1614 1 5 . 1 1 14 14 PRO C C 14 174.999 174.999 176.533 -1.534 19391 1615 1 5 . 1 1 14 14 PRO CA C 14 62.698 62.698 63.096 -0.398 19391 1616 1 5 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.231 -0.420 19391 1617 1 5 . 1 1 15 15 GLN N N 15 120.091 120.091 123.362 -3.271 19391 1618 1 5 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.123 0.026 19391 1619 1 5 . 1 1 15 15 GLN C C 15 177.099 177.099 176.903 0.196 19391 1620 1 5 . 1 1 15 15 GLN CA C 15 58.333 58.333 58.541 -0.208 19391 1621 1 5 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.192 0.665 19391 1622 1 5 . 1 1 15 15 GLN H H 15 8.368 8.368 8.649 -0.281 19391 1623 1 5 . 1 1 16 16 GLY N N 16 113.023 113.023 109.990 3.033 19391 1624 1 5 . 1 1 16 16 GLY C C 16 174.735 174.735 174.155 0.580 19391 1625 1 5 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.566 0.727 19391 1626 1 5 . 1 1 16 16 GLY H H 16 8.828 8.828 8.737 0.091 19391 1627 1 5 . 1 1 17 17 TRP N N 17 121.152 121.152 122.339 -1.187 19391 1628 1 5 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.214 -0.397 19391 1629 1 5 . 1 1 17 17 TRP C C 17 177.275 177.275 175.441 1.834 19391 1630 1 5 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.027 2.126 19391 1631 1 5 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.748 -0.458 19391 1632 1 5 . 1 1 17 17 TRP H H 17 8.006 8.006 8.165 -0.159 19391 1633 1 5 . 1 1 18 18 GLU N N 18 120.147 120.147 118.014 2.133 19391 1634 1 5 . 1 1 18 18 GLU HA H 18 5.255 5.255 5.021 0.234 19391 1635 1 5 . 1 1 18 18 GLU C C 18 174.373 174.373 174.654 -0.281 19391 1636 1 5 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.757 -0.666 19391 1637 1 5 . 1 1 18 18 GLU CB C 18 35.375 35.375 35.275 0.100 19391 1638 1 5 . 1 1 18 18 GLU H H 18 8.934 8.934 8.989 -0.055 19391 1639 1 5 . 1 1 19 19 ARG N N 19 122.215 122.215 119.672 2.543 19391 1640 1 5 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.911 0.095 19391 1641 1 5 . 1 1 19 19 ARG C C 19 174.040 174.040 173.625 0.415 19391 1642 1 5 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.464 -0.098 19391 1643 1 5 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.414 0.476 19391 1644 1 5 . 1 1 19 19 ARG H H 19 9.300 9.300 8.691 0.609 19391 1645 1 5 . 1 1 20 20 GLU N N 20 127.885 127.885 121.129 6.756 19391 1646 1 5 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.153 0.132 19391 1647 1 5 . 1 1 20 20 GLU C C 20 173.582 173.582 174.443 -0.861 19391 1648 1 5 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.505 -0.051 19391 1649 1 5 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.115 2.457 19391 1650 1 5 . 1 1 20 20 GLU H H 20 9.460 9.460 8.388 1.072 19391 1651 1 5 . 1 1 21 21 GLU N N 21 123.590 123.590 122.197 1.393 19391 1652 1 5 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.513 0.805 19391 1653 1 5 . 1 1 21 21 GLU C C 21 176.091 176.091 174.971 1.120 19391 1654 1 5 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.452 -0.994 19391 1655 1 5 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.493 0.359 19391 1656 1 5 . 1 1 21 21 GLU H H 21 8.580 8.580 7.939 0.641 19391 1657 1 5 . 1 1 22 22 VAL N N 22 123.718 123.718 122.356 1.362 19391 1658 1 5 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.450 0.318 19391 1659 1 5 . 1 1 22 22 VAL C C 22 169.573 169.573 173.275 -3.702 19391 1660 1 5 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.244 0.745 19391 1661 1 5 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.454 0.805 19391 1662 1 5 . 1 1 22 22 VAL H H 22 9.177 9.177 8.239 0.938 19391 1663 1 5 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.519 0.236 19391 1664 1 5 . 1 1 23 23 PRO C C 23 176.679 176.679 176.272 0.407 19391 1665 1 5 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.101 0.363 19391 1666 1 5 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.137 -0.039 19391 1667 1 5 . 1 1 24 24 ARG N N 24 123.629 123.629 123.895 -0.266 19391 1668 1 5 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.192 0.296 19391 1669 1 5 . 1 1 24 24 ARG C C 24 177.926 177.926 177.060 0.866 19391 1670 1 5 . 1 1 24 24 ARG CA C 24 56.430 56.430 57.392 -0.962 19391 1671 1 5 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.985 0.003 19391 1672 1 5 . 1 1 24 24 ARG H H 24 8.726 8.726 8.214 0.512 19391 1673 1 5 . 1 1 25 25 ARG N N 25 124.327 124.327 123.681 0.646 19391 1674 1 5 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.488 -0.145 19391 1675 1 5 . 1 1 25 25 ARG C C 25 176.213 176.213 176.161 0.052 19391 1676 1 5 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.216 1.254 19391 1677 1 5 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.269 -0.061 19391 1678 1 5 . 1 1 25 25 ARG H H 25 9.070 9.070 8.602 0.468 19391 1679 1 5 . 1 1 26 26 SER N N 26 114.348 114.348 116.153 -1.805 19391 1680 1 5 . 1 1 26 26 SER HA H 26 4.652 4.652 4.617 0.035 19391 1681 1 5 . 1 1 26 26 SER C C 26 173.704 173.704 173.799 -0.095 19391 1682 1 5 . 1 1 26 26 SER CA C 26 57.727 57.727 57.994 -0.267 19391 1683 1 5 . 1 1 26 26 SER CB C 26 65.099 65.099 62.904 2.195 19391 1684 1 5 . 1 1 26 26 SER H H 26 8.071 8.071 8.085 -0.014 19391 1685 1 5 . 1 1 27 27 GLY N N 27 108.224 108.224 111.763 -3.539 19391 1686 1 5 . 1 1 27 27 GLY C C 27 175.321 175.321 174.544 0.777 19391 1687 1 5 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.049 0.114 19391 1688 1 5 . 1 1 27 27 GLY H H 27 8.433 8.433 8.052 0.381 19391 1689 1 5 . 1 1 28 28 LEU N N 28 122.251 122.251 120.813 1.438 19391 1690 1 5 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.101 0.148 19391 1691 1 5 . 1 1 28 28 LEU C C 28 178.691 178.691 177.197 1.494 19391 1692 1 5 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.596 0.197 19391 1693 1 5 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.403 -0.220 19391 1694 1 5 . 1 1 28 28 LEU H H 28 8.752 8.752 8.656 0.096 19391 1695 1 5 . 1 1 29 29 SER N N 29 113.375 113.375 112.932 0.443 19391 1696 1 5 . 1 1 29 29 SER HA H 29 4.440 4.440 4.472 -0.032 19391 1697 1 5 . 1 1 29 29 SER C C 29 173.707 173.707 174.033 -0.326 19391 1698 1 5 . 1 1 29 29 SER CA C 29 57.782 57.782 58.240 -0.458 19391 1699 1 5 . 1 1 29 29 SER CB C 29 63.353 63.353 62.715 0.638 19391 1700 1 5 . 1 1 29 29 SER H H 29 8.397 8.397 8.032 0.365 19391 1701 1 5 . 1 1 30 30 ALA N N 30 124.539 124.539 123.370 1.169 19391 1702 1 5 . 1 1 30 30 ALA HA H 30 3.912 3.912 3.984 -0.072 19391 1703 1 5 . 1 1 30 30 ALA C C 30 178.198 178.198 178.404 -0.206 19391 1704 1 5 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.763 -0.187 19391 1705 1 5 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.049 -0.627 19391 1706 1 5 . 1 1 30 30 ALA H H 30 7.623 7.623 7.240 0.383 19391 1707 1 5 . 1 1 31 31 GLY N N 31 109.642 109.642 110.770 -1.128 19391 1708 1 5 . 1 1 31 31 GLY C C 31 174.534 174.534 174.586 -0.052 19391 1709 1 5 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.310 -0.068 19391 1710 1 5 . 1 1 31 31 GLY H H 31 8.713 8.713 8.875 -0.162 19391 1711 1 5 . 1 1 32 32 HIS N N 32 119.677 119.677 120.801 -1.124 19391 1712 1 5 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.843 -0.280 19391 1713 1 5 . 1 1 32 32 HIS C C 32 174.544 174.544 174.147 0.397 19391 1714 1 5 . 1 1 32 32 HIS CA C 32 56.416 56.416 55.433 0.983 19391 1715 1 5 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.030 -1.444 19391 1716 1 5 . 1 1 32 32 HIS H H 32 8.304 8.304 7.789 0.515 19391 1717 1 5 . 1 1 33 33 ARG N N 33 124.677 124.677 120.593 4.084 19391 1718 1 5 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.542 0.063 19391 1719 1 5 . 1 1 33 33 ARG C C 33 174.869 174.869 175.066 -0.197 19391 1720 1 5 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.251 0.511 19391 1721 1 5 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.200 -1.000 19391 1722 1 5 . 1 1 33 33 ARG H H 33 8.731 8.731 8.479 0.252 19391 1723 1 5 . 1 1 34 34 ASP N N 34 124.378 124.378 124.313 0.065 19391 1724 1 5 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.826 0.050 19391 1725 1 5 . 1 1 34 34 ASP C C 34 174.057 174.057 174.536 -0.479 19391 1726 1 5 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.148 0.897 19391 1727 1 5 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.120 0.732 19391 1728 1 5 . 1 1 34 34 ASP H H 34 8.387 8.387 8.304 0.083 19391 1729 1 5 . 1 1 35 35 VAL N N 35 121.095 121.095 119.874 1.221 19391 1730 1 5 . 1 1 35 35 VAL HA H 35 4.750 4.750 3.997 0.753 19391 1731 1 5 . 1 1 35 35 VAL C C 35 173.600 173.600 174.264 -0.664 19391 1732 1 5 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.954 0.403 19391 1733 1 5 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.863 1.215 19391 1734 1 5 . 1 1 35 35 VAL H H 35 8.023 8.023 8.245 -0.222 19391 1735 1 5 . 1 1 36 36 PHE N N 36 122.163 122.163 123.388 -1.225 19391 1736 1 5 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.728 0.870 19391 1737 1 5 . 1 1 36 36 PHE C C 36 174.164 174.164 173.768 0.396 19391 1738 1 5 . 1 1 36 36 PHE CA C 36 54.708 54.708 55.909 -1.201 19391 1739 1 5 . 1 1 36 36 PHE CB C 36 43.978 43.978 41.889 2.090 19391 1740 1 5 . 1 1 36 36 PHE H H 36 8.710 8.710 7.957 0.753 19391 1741 1 5 . 1 1 37 37 TYR N N 37 116.406 116.406 118.297 -1.891 19391 1742 1 5 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.747 0.940 19391 1743 1 5 . 1 1 37 37 TYR C C 37 174.694 174.694 173.837 0.857 19391 1744 1 5 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.195 0.669 19391 1745 1 5 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.391 2.087 19391 1746 1 5 . 1 1 37 37 TYR H H 37 8.552 8.552 7.986 0.566 19391 1747 1 5 . 1 1 38 38 TYR N N 38 118.594 118.594 118.944 -0.350 19391 1748 1 5 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.396 0.348 19391 1749 1 5 . 1 1 38 38 TYR C C 38 175.481 175.481 175.436 0.045 19391 1750 1 5 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.927 0.023 19391 1751 1 5 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.959 0.328 19391 1752 1 5 . 1 1 38 38 TYR H H 38 9.445 9.445 9.047 0.398 19391 1753 1 5 . 1 1 39 39 SER N N 39 118.327 118.327 117.205 1.122 19391 1754 1 5 . 1 1 39 39 SER HA H 39 2.098 2.098 4.120 -2.022 19391 1755 1 5 . 1 1 39 39 SER C C 39 174.399 174.399 174.457 -0.058 19391 1756 1 5 . 1 1 39 39 SER CA C 39 55.375 55.375 54.642 0.733 19391 1757 1 5 . 1 1 39 39 SER CB C 39 62.873 62.873 62.815 0.058 19391 1758 1 5 . 1 1 39 39 SER H H 39 8.808 8.808 8.229 0.579 19391 1759 1 5 . 1 1 41 41 SER HA H 41 4.452 4.452 4.376 0.076 19391 1760 1 5 . 1 1 41 41 SER C C 41 174.963 174.963 175.575 -0.612 19391 1761 1 5 . 1 1 41 41 SER CA C 41 57.861 57.861 58.163 -0.302 19391 1762 1 5 . 1 1 41 41 SER CB C 41 63.763 63.763 63.585 0.178 19391 1763 1 5 . 1 1 42 42 GLY N N 42 111.741 111.741 110.157 1.584 19391 1764 1 5 . 1 1 42 42 GLY C C 42 173.938 173.938 173.896 0.042 19391 1765 1 5 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.325 0.104 19391 1766 1 5 . 1 1 42 42 GLY H H 42 8.292 8.292 7.911 0.381 19391 1767 1 5 . 1 1 43 43 LYS N N 43 122.381 122.381 121.520 0.861 19391 1768 1 5 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.183 -0.092 19391 1769 1 5 . 1 1 43 43 LYS C C 43 174.049 174.049 175.952 -1.903 19391 1770 1 5 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.669 -0.160 19391 1771 1 5 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.879 -0.089 19391 1772 1 5 . 1 1 43 43 LYS H H 43 7.361 7.361 7.477 -0.116 19391 1773 1 5 . 1 1 44 44 LYS N N 44 125.831 125.831 128.289 -2.458 19391 1774 1 5 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.705 -0.211 19391 1775 1 5 . 1 1 44 44 LYS C C 44 175.970 175.970 175.835 0.135 19391 1776 1 5 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.785 -0.076 19391 1777 1 5 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.393 2.247 19391 1778 1 5 . 1 1 44 44 LYS H H 44 8.078 8.078 8.470 -0.392 19391 1779 1 5 . 1 1 45 45 PHE N N 45 124.636 124.636 122.138 2.498 19391 1780 1 5 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.951 -0.169 19391 1781 1 5 . 1 1 45 45 PHE C C 45 176.205 176.205 173.975 2.230 19391 1782 1 5 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.084 1.869 19391 1783 1 5 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.726 1.250 19391 1784 1 5 . 1 1 45 45 PHE H H 45 9.707 9.707 7.847 1.860 19391 1785 1 5 . 1 1 46 46 ARG N N 46 117.959 117.959 120.353 -2.394 19391 1786 1 5 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.843 0.557 19391 1787 1 5 . 1 1 46 46 ARG C C 46 175.059 175.059 174.847 0.212 19391 1788 1 5 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.922 -0.600 19391 1789 1 5 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.471 2.912 19391 1790 1 5 . 1 1 46 46 ARG H H 46 9.430 9.430 8.905 0.525 19391 1791 1 5 . 1 1 47 47 SER N N 47 115.115 115.115 115.561 -0.446 19391 1792 1 5 . 1 1 47 47 SER HA H 47 4.069 4.069 4.488 -0.419 19391 1793 1 5 . 1 1 47 47 SER C C 47 172.762 172.762 173.980 -1.218 19391 1794 1 5 . 1 1 47 47 SER CA C 47 56.797 56.797 56.835 -0.038 19391 1795 1 5 . 1 1 47 47 SER CB C 47 66.892 66.892 66.211 0.681 19391 1796 1 5 . 1 1 47 47 SER H H 47 7.926 7.926 7.996 -0.070 19391 1797 1 5 . 1 1 48 48 LYS N N 48 122.914 122.914 124.015 -1.101 19391 1798 1 5 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.034 0.065 19391 1799 1 5 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.476 2.094 19391 1800 1 5 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.121 0.129 19391 1801 1 5 . 1 1 48 48 LYS H H 48 8.994 8.994 8.561 0.433 19391 1802 1 5 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.160 0.224 19391 1803 1 5 . 1 1 49 49 PRO C C 49 179.505 179.505 178.946 0.559 19391 1804 1 5 . 1 1 49 49 PRO CA C 49 66.262 66.262 66.210 0.052 19391 1805 1 5 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.395 -0.141 19391 1806 1 5 . 1 1 50 50 GLN N N 50 116.141 116.141 117.742 -1.601 19391 1807 1 5 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.077 0.082 19391 1808 1 5 . 1 1 50 50 GLN C C 50 179.539 179.539 178.438 1.101 19391 1809 1 5 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.962 0.251 19391 1810 1 5 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.689 0.676 19391 1811 1 5 . 1 1 50 50 GLN H H 50 7.333 7.333 7.957 -0.624 19391 1812 1 5 . 1 1 51 51 LEU N N 51 122.318 122.318 121.146 1.172 19391 1813 1 5 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.993 -0.181 19391 1814 1 5 . 1 1 51 51 LEU C C 51 177.948 177.948 178.323 -0.375 19391 1815 1 5 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.828 0.316 19391 1816 1 5 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.541 1.910 19391 1817 1 5 . 1 1 51 51 LEU H H 51 7.957 7.957 7.616 0.341 19391 1818 1 5 . 1 1 52 52 ALA N N 52 120.627 120.627 121.735 -1.108 19391 1819 1 5 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.929 -0.019 19391 1820 1 5 . 1 1 52 52 ALA C C 52 181.360 181.360 179.330 2.030 19391 1821 1 5 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.192 -0.298 19391 1822 1 5 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.537 -0.351 19391 1823 1 5 . 1 1 52 52 ALA H H 52 9.134 9.134 8.487 0.647 19391 1824 1 5 . 1 1 53 53 ARG N N 53 118.087 118.087 119.068 -0.981 19391 1825 1 5 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.944 0.166 19391 1826 1 5 . 1 1 53 53 ARG C C 53 178.186 178.186 178.384 -0.198 19391 1827 1 5 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.304 -0.008 19391 1828 1 5 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.270 0.285 19391 1829 1 5 . 1 1 53 53 ARG H H 53 8.095 8.095 8.108 -0.013 19391 1830 1 5 . 1 1 54 54 TYR N N 54 119.692 119.692 119.385 0.307 19391 1831 1 5 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.224 0.153 19391 1832 1 5 . 1 1 54 54 TYR C C 54 177.809 177.809 178.190 -0.381 19391 1833 1 5 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.467 -0.125 19391 1834 1 5 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.898 1.501 19391 1835 1 5 . 1 1 54 54 TYR H H 54 7.584 7.584 8.062 -0.478 19391 1836 1 5 . 1 1 55 55 LEU N N 55 117.313 117.313 116.879 0.434 19391 1837 1 5 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.443 -0.288 19391 1838 1 5 . 1 1 55 55 LEU C C 55 178.784 178.784 178.444 0.340 19391 1839 1 5 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.747 1.041 19391 1840 1 5 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.256 1.527 19391 1841 1 5 . 1 1 55 55 LEU H H 55 8.279 8.279 8.352 -0.073 19391 1842 1 5 . 1 1 56 56 GLY N N 56 108.526 108.526 109.017 -0.491 19391 1843 1 5 . 1 1 56 56 GLY C C 56 174.749 174.749 175.107 -0.358 19391 1844 1 5 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.906 -0.155 19391 1845 1 5 . 1 1 56 56 GLY H H 56 7.911 7.911 8.192 -0.281 19391 1846 1 5 . 1 1 57 57 GLY N N 57 109.514 109.514 107.258 2.256 19391 1847 1 5 . 1 1 57 57 GLY C C 57 175.034 175.034 174.804 0.230 19391 1848 1 5 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.078 0.570 19391 1849 1 5 . 1 1 57 57 GLY H H 57 8.644 8.644 8.125 0.519 19391 1850 1 5 . 1 1 58 58 SER N N 58 114.666 114.666 114.978 -0.312 19391 1851 1 5 . 1 1 58 58 SER HA H 58 4.355 4.355 4.590 -0.235 19391 1852 1 5 . 1 1 58 58 SER C C 58 173.748 173.748 174.177 -0.429 19391 1853 1 5 . 1 1 58 58 SER CA C 58 60.013 60.013 58.348 1.665 19391 1854 1 5 . 1 1 58 58 SER CB C 58 64.173 64.173 65.452 -1.279 19391 1855 1 5 . 1 1 58 58 SER H H 58 8.058 8.058 7.688 0.370 19391 1856 1 5 . 1 1 59 59 MET N N 59 118.467 118.467 118.922 -0.455 19391 1857 1 5 . 1 1 59 59 MET HA H 59 4.475 4.475 4.561 -0.086 19391 1858 1 5 . 1 1 59 59 MET C C 59 172.909 172.909 172.956 -0.047 19391 1859 1 5 . 1 1 59 59 MET CA C 59 56.185 56.185 55.411 0.774 19391 1860 1 5 . 1 1 59 59 MET CB C 59 35.552 35.552 36.093 -0.541 19391 1861 1 5 . 1 1 59 59 MET H H 59 7.442 7.442 8.278 -0.836 19391 1862 1 5 . 1 1 60 60 ASP N N 60 121.779 121.779 122.434 -0.655 19391 1863 1 5 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.867 -0.173 19391 1864 1 5 . 1 1 60 60 ASP C C 60 176.867 176.867 175.528 1.339 19391 1865 1 5 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.730 -0.449 19391 1866 1 5 . 1 1 60 60 ASP CB C 60 40.980 40.980 41.075 -0.095 19391 1867 1 5 . 1 1 60 60 ASP H H 60 8.401 8.401 8.438 -0.036 19391 1868 1 5 . 1 1 61 61 LEU N N 61 126.474 126.474 124.005 2.469 19391 1869 1 5 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.623 -0.229 19391 1870 1 5 . 1 1 61 61 LEU C C 61 178.536 178.536 178.210 0.326 19391 1871 1 5 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.879 -0.840 19391 1872 1 5 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.846 -0.233 19391 1873 1 5 . 1 1 61 61 LEU H H 61 9.015 9.015 8.539 0.476 19391 1874 1 5 . 1 1 62 62 SER N N 62 120.014 120.014 116.898 3.116 19391 1875 1 5 . 1 1 62 62 SER HA H 62 4.125 4.125 4.338 -0.213 19391 1876 1 5 . 1 1 62 62 SER C C 62 176.669 176.669 175.520 1.149 19391 1877 1 5 . 1 1 62 62 SER CA C 62 63.345 63.345 61.108 2.236 19391 1878 1 5 . 1 1 62 62 SER CB C 62 62.553 62.553 62.724 -0.171 19391 1879 1 5 . 1 1 62 62 SER H H 62 8.871 8.871 8.207 0.664 19391 1880 1 5 . 1 1 63 63 THR N N 63 110.495 110.495 111.856 -1.361 19391 1881 1 5 . 1 1 63 63 THR HA H 63 4.510 4.510 4.387 0.123 19391 1882 1 5 . 1 1 63 63 THR C C 63 173.862 173.862 173.571 0.291 19391 1883 1 5 . 1 1 63 63 THR CA C 63 61.006 61.006 62.302 -1.296 19391 1884 1 5 . 1 1 63 63 THR CB C 63 67.976 67.976 69.075 -1.099 19391 1885 1 5 . 1 1 63 63 THR H H 63 8.363 8.363 8.071 0.292 19391 1886 1 5 . 1 1 64 64 PHE N N 64 123.605 123.605 123.994 -0.389 19391 1887 1 5 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.734 -0.118 19391 1888 1 5 . 1 1 64 64 PHE C C 64 173.716 173.716 173.671 0.045 19391 1889 1 5 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.495 1.522 19391 1890 1 5 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.770 0.174 19391 1891 1 5 . 1 1 64 64 PHE H H 64 7.472 7.472 8.033 -0.561 19391 1892 1 5 . 1 1 65 65 ASP N N 65 129.564 129.564 129.528 0.036 19391 1893 1 5 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.440 0.087 19391 1894 1 5 . 1 1 65 65 ASP C C 65 173.973 173.973 175.016 -1.043 19391 1895 1 5 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.921 -1.108 19391 1896 1 5 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.803 1.145 19391 1897 1 5 . 1 1 65 65 ASP H H 65 8.574 8.574 8.773 -0.199 19391 1898 1 5 . 1 1 66 66 PHE N N 66 128.221 128.221 125.266 2.955 19391 1899 1 5 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.015 -0.358 19391 1900 1 5 . 1 1 66 66 PHE C C 66 177.535 177.535 176.132 1.403 19391 1901 1 5 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.827 0.919 19391 1902 1 5 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.725 1.517 19391 1903 1 5 . 1 1 66 66 PHE H H 66 8.886 8.886 8.111 0.775 19391 1904 1 5 . 1 1 67 67 ARG N N 67 116.246 116.246 118.405 -2.159 19391 1905 1 5 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.101 0.660 19391 1906 1 5 . 1 1 67 67 ARG C C 67 178.024 178.024 177.867 0.157 19391 1907 1 5 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.512 1.149 19391 1908 1 5 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.536 0.193 19391 1909 1 5 . 1 1 67 67 ARG H H 67 8.804 8.804 8.428 0.376 19391 1910 1 5 . 1 1 68 68 THR N N 68 105.409 105.409 105.715 -0.306 19391 1911 1 5 . 1 1 68 68 THR HA H 68 4.199 4.199 4.307 -0.108 19391 1912 1 5 . 1 1 68 68 THR C C 68 176.417 176.417 174.769 1.648 19391 1913 1 5 . 1 1 68 68 THR CA C 68 62.233 62.233 61.868 0.365 19391 1914 1 5 . 1 1 68 68 THR CB C 68 71.221 71.221 69.446 1.775 19391 1915 1 5 . 1 1 68 68 THR H H 68 7.407 7.407 7.964 -0.557 19391 1916 1 5 . 1 1 69 69 GLY N N 69 113.199 113.199 111.611 1.588 19391 1917 1 5 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.799 1.415 19391 1918 1 5 . 1 1 69 69 GLY H H 69 8.344 8.344 7.927 0.417 19391 1919 1 5 . 1 1 70 70 LYS N N 70 116.533 116.533 117.404 -0.871 19391 1920 1 5 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.755 -0.357 19391 1921 1 5 . 1 1 70 70 LYS C C 70 175.022 175.022 174.957 0.065 19391 1922 1 5 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.658 0.954 19391 1923 1 5 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.097 -1.022 19391 1924 1 5 . 1 1 70 70 LYS H H 70 6.887 6.887 7.296 -0.409 19391 1925 1 5 . 1 1 71 71 MET N N 71 119.590 119.590 121.463 -1.873 19391 1926 1 5 . 1 1 71 71 MET HA H 71 4.770 4.770 4.806 -0.036 19391 1927 1 5 . 1 1 71 71 MET C C 71 175.810 175.810 176.407 -0.597 19391 1928 1 5 . 1 1 71 71 MET CA C 71 54.296 54.296 55.126 -0.830 19391 1929 1 5 . 1 1 71 71 MET CB C 71 32.118 32.118 32.606 -0.488 19391 1930 1 5 . 1 1 71 71 MET H H 71 8.423 8.423 8.704 -0.281 19391 1931 1 6 . 1 1 2 2 SER HA H 2 4.500 4.500 4.442 0.058 19391 1932 1 6 . 1 1 2 2 SER C C 2 174.803 174.803 175.318 -0.515 19391 1933 1 6 . 1 1 2 2 SER CA C 2 58.624 58.624 59.637 -1.013 19391 1934 1 6 . 1 1 2 2 SER CB C 2 63.986 63.986 63.561 0.425 19391 1935 1 6 . 1 1 3 3 MET N N 3 122.348 122.348 121.005 1.343 19391 1936 1 6 . 1 1 3 3 MET HA H 3 4.546 4.546 4.529 0.017 19391 1937 1 6 . 1 1 3 3 MET C C 3 175.969 175.969 174.469 1.500 19391 1938 1 6 . 1 1 3 3 MET CA C 3 55.560 55.560 55.316 0.244 19391 1939 1 6 . 1 1 3 3 MET CB C 3 32.667 32.667 32.493 0.174 19391 1940 1 6 . 1 1 3 3 MET H H 3 8.636 8.636 7.686 0.950 19391 1941 1 6 . 1 1 4 4 GLU N N 4 121.792 121.792 123.716 -1.924 19391 1942 1 6 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.429 -0.126 19391 1943 1 6 . 1 1 4 4 GLU C C 4 175.884 175.884 175.960 -0.076 19391 1944 1 6 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.730 0.801 19391 1945 1 6 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.972 -0.378 19391 1946 1 6 . 1 1 4 4 GLU H H 4 8.337 8.337 8.440 -0.103 19391 1947 1 6 . 1 1 5 5 ARG N N 5 122.592 122.592 124.178 -1.586 19391 1948 1 6 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.348 0.181 19391 1949 1 6 . 1 1 5 5 ARG C C 5 175.556 175.556 176.483 -0.927 19391 1950 1 6 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.718 0.289 19391 1951 1 6 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.157 0.020 19391 1952 1 6 . 1 1 5 5 ARG H H 5 8.319 8.319 8.531 -0.212 19391 1953 1 6 . 1 1 6 6 LYS N N 6 123.750 123.750 124.203 -0.453 19391 1954 1 6 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.027 0.378 19391 1955 1 6 . 1 1 6 6 LYS C C 6 174.335 174.335 175.118 -0.783 19391 1956 1 6 . 1 1 6 6 LYS CA C 6 55.587 55.587 56.233 -0.646 19391 1957 1 6 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.076 1.622 19391 1958 1 6 . 1 1 6 6 LYS H H 6 8.372 8.372 8.364 0.008 19391 1959 1 6 . 1 1 7 7 ARG N N 7 121.789 121.789 118.970 2.819 19391 1960 1 6 . 1 1 7 7 ARG HA H 7 5.025 5.025 5.054 -0.029 19391 1961 1 6 . 1 1 7 7 ARG C C 7 174.998 174.998 174.396 0.602 19391 1962 1 6 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.225 0.652 19391 1963 1 6 . 1 1 7 7 ARG CB C 7 33.085 33.085 33.306 -0.221 19391 1964 1 6 . 1 1 7 7 ARG H H 7 7.894 7.894 7.705 0.189 19391 1965 1 6 . 1 1 8 8 TRP N N 8 122.774 122.774 123.106 -0.332 19391 1966 1 6 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.890 0.081 19391 1967 1 6 . 1 1 8 8 TRP C C 8 175.679 175.679 175.163 0.516 19391 1968 1 6 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.658 -0.317 19391 1969 1 6 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.742 1.302 19391 1970 1 6 . 1 1 8 8 TRP H H 8 9.002 9.002 9.092 -0.090 19391 1971 1 6 . 1 1 9 9 GLU N N 9 121.587 121.587 122.928 -1.341 19391 1972 1 6 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.703 -0.229 19391 1973 1 6 . 1 1 9 9 GLU C C 9 176.133 176.133 175.706 0.427 19391 1974 1 6 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.009 2.478 19391 1975 1 6 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.421 -0.167 19391 1976 1 6 . 1 1 9 9 GLU H H 9 8.879 8.879 8.583 0.296 19391 1977 1 6 . 1 1 10 10 CYS N N 10 122.770 122.770 124.674 -1.904 19391 1978 1 6 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.935 0.290 19391 1979 1 6 . 1 1 10 10 CYS C C 10 173.480 173.480 174.889 -1.409 19391 1980 1 6 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.089 0.962 19391 1981 1 6 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.777 -1.502 19391 1982 1 6 . 1 1 10 10 CYS H H 10 8.351 8.351 8.769 -0.418 19391 1983 1 6 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.413 0.231 19391 1984 1 6 . 1 1 11 11 PRO C C 11 176.160 176.160 176.482 -0.322 19391 1985 1 6 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.084 0.680 19391 1986 1 6 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.957 0.248 19391 1987 1 6 . 1 1 12 12 ALA N N 12 118.459 118.459 120.786 -2.327 19391 1988 1 6 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.242 0.022 19391 1989 1 6 . 1 1 12 12 ALA C C 12 176.998 176.998 177.821 -0.823 19391 1990 1 6 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.059 0.115 19391 1991 1 6 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.343 0.853 19391 1992 1 6 . 1 1 12 12 ALA H H 12 7.635 7.635 7.678 -0.043 19391 1993 1 6 . 1 1 13 13 LEU N N 13 117.171 117.171 120.021 -2.850 19391 1994 1 6 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.517 -0.202 19391 1995 1 6 . 1 1 13 13 LEU C C 13 173.277 173.277 174.992 -1.715 19391 1996 1 6 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.061 0.096 19391 1997 1 6 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.298 -0.318 19391 1998 1 6 . 1 1 13 13 LEU H H 13 7.449 7.449 7.439 0.010 19391 1999 1 6 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.490 -0.056 19391 2000 1 6 . 1 1 14 14 PRO C C 14 174.999 174.999 176.537 -1.538 19391 2001 1 6 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.426 0.272 19391 2002 1 6 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.684 -0.874 19391 2003 1 6 . 1 1 15 15 GLN N N 15 120.091 120.091 121.600 -1.509 19391 2004 1 6 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.074 0.075 19391 2005 1 6 . 1 1 15 15 GLN C C 15 177.099 177.099 176.471 0.628 19391 2006 1 6 . 1 1 15 15 GLN CA C 15 58.333 58.333 58.037 0.296 19391 2007 1 6 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.840 0.016 19391 2008 1 6 . 1 1 15 15 GLN H H 15 8.368 8.368 8.542 -0.174 19391 2009 1 6 . 1 1 16 16 GLY N N 16 113.023 113.023 112.127 0.896 19391 2010 1 6 . 1 1 16 16 GLY C C 16 174.735 174.735 174.237 0.498 19391 2011 1 6 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.489 0.804 19391 2012 1 6 . 1 1 16 16 GLY H H 16 8.828 8.828 8.692 0.136 19391 2013 1 6 . 1 1 17 17 TRP N N 17 121.152 121.152 122.330 -1.178 19391 2014 1 6 . 1 1 17 17 TRP HA H 17 4.817 4.817 4.950 -0.133 19391 2015 1 6 . 1 1 17 17 TRP C C 17 177.275 177.275 175.840 1.435 19391 2016 1 6 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.917 1.236 19391 2017 1 6 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.422 -0.132 19391 2018 1 6 . 1 1 17 17 TRP H H 17 8.006 8.006 7.847 0.159 19391 2019 1 6 . 1 1 18 18 GLU N N 18 120.147 120.147 119.016 1.131 19391 2020 1 6 . 1 1 18 18 GLU HA H 18 5.255 5.255 5.410 -0.155 19391 2021 1 6 . 1 1 18 18 GLU C C 18 174.373 174.373 175.427 -1.054 19391 2022 1 6 . 1 1 18 18 GLU CA C 18 55.091 55.091 54.945 0.146 19391 2023 1 6 . 1 1 18 18 GLU CB C 18 35.375 35.375 35.057 0.318 19391 2024 1 6 . 1 1 18 18 GLU H H 18 8.934 8.934 8.809 0.125 19391 2025 1 6 . 1 1 19 19 ARG N N 19 122.215 122.215 120.378 1.837 19391 2026 1 6 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.660 0.345 19391 2027 1 6 . 1 1 19 19 ARG C C 19 174.040 174.040 174.516 -0.476 19391 2028 1 6 . 1 1 19 19 ARG CA C 19 54.366 54.366 55.267 -0.901 19391 2029 1 6 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.459 1.431 19391 2030 1 6 . 1 1 19 19 ARG H H 19 9.300 9.300 8.377 0.923 19391 2031 1 6 . 1 1 20 20 GLU N N 20 127.885 127.885 123.125 4.760 19391 2032 1 6 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.835 0.450 19391 2033 1 6 . 1 1 20 20 GLU C C 20 173.582 173.582 174.276 -0.694 19391 2034 1 6 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.822 -0.368 19391 2035 1 6 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.429 2.143 19391 2036 1 6 . 1 1 20 20 GLU H H 20 9.460 9.460 8.001 1.459 19391 2037 1 6 . 1 1 21 21 GLU N N 21 123.590 123.590 123.543 0.047 19391 2038 1 6 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.436 0.882 19391 2039 1 6 . 1 1 21 21 GLU C C 21 176.091 176.091 174.624 1.467 19391 2040 1 6 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.280 -0.822 19391 2041 1 6 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.135 0.717 19391 2042 1 6 . 1 1 21 21 GLU H H 21 8.580 8.580 7.884 0.696 19391 2043 1 6 . 1 1 22 22 VAL N N 22 123.718 123.718 122.514 1.204 19391 2044 1 6 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.585 0.183 19391 2045 1 6 . 1 1 22 22 VAL C C 22 169.573 169.573 173.440 -3.867 19391 2046 1 6 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.546 0.443 19391 2047 1 6 . 1 1 22 22 VAL CB C 22 35.259 35.259 35.069 0.190 19391 2048 1 6 . 1 1 22 22 VAL H H 22 9.177 9.177 8.418 0.759 19391 2049 1 6 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.559 0.196 19391 2050 1 6 . 1 1 23 23 PRO C C 23 176.679 176.679 176.401 0.278 19391 2051 1 6 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.135 0.330 19391 2052 1 6 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.079 0.019 19391 2053 1 6 . 1 1 24 24 ARG N N 24 123.629 123.629 124.200 -0.571 19391 2054 1 6 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.203 0.285 19391 2055 1 6 . 1 1 24 24 ARG C C 24 177.926 177.926 176.120 1.806 19391 2056 1 6 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.863 -0.433 19391 2057 1 6 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.622 0.366 19391 2058 1 6 . 1 1 24 24 ARG H H 24 8.726 8.726 8.321 0.405 19391 2059 1 6 . 1 1 25 25 ARG N N 25 124.327 124.327 124.057 0.270 19391 2060 1 6 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.450 -0.107 19391 2061 1 6 . 1 1 25 25 ARG C C 25 176.213 176.213 175.041 1.172 19391 2062 1 6 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.271 1.199 19391 2063 1 6 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.282 -0.074 19391 2064 1 6 . 1 1 25 25 ARG H H 25 9.070 9.070 8.577 0.493 19391 2065 1 6 . 1 1 26 26 SER N N 26 114.348 114.348 115.159 -0.811 19391 2066 1 6 . 1 1 26 26 SER HA H 26 4.652 4.652 4.666 -0.014 19391 2067 1 6 . 1 1 26 26 SER C C 26 173.704 173.704 173.833 -0.129 19391 2068 1 6 . 1 1 26 26 SER CA C 26 57.727 57.727 57.951 -0.224 19391 2069 1 6 . 1 1 26 26 SER CB C 26 65.099 65.099 63.974 1.125 19391 2070 1 6 . 1 1 26 26 SER H H 26 8.071 8.071 7.961 0.110 19391 2071 1 6 . 1 1 27 27 GLY N N 27 108.224 108.224 111.291 -3.067 19391 2072 1 6 . 1 1 27 27 GLY C C 27 175.321 175.321 174.648 0.673 19391 2073 1 6 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.151 0.012 19391 2074 1 6 . 1 1 27 27 GLY H H 27 8.433 8.433 8.064 0.369 19391 2075 1 6 . 1 1 28 28 LEU N N 28 122.251 122.251 120.637 1.614 19391 2076 1 6 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.241 0.008 19391 2077 1 6 . 1 1 28 28 LEU C C 28 178.691 178.691 177.225 1.466 19391 2078 1 6 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.586 0.207 19391 2079 1 6 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.226 -0.043 19391 2080 1 6 . 1 1 28 28 LEU H H 28 8.752 8.752 8.448 0.304 19391 2081 1 6 . 1 1 29 29 SER N N 29 113.375 113.375 111.352 2.023 19391 2082 1 6 . 1 1 29 29 SER HA H 29 4.440 4.440 4.503 -0.063 19391 2083 1 6 . 1 1 29 29 SER C C 29 173.707 173.707 174.301 -0.594 19391 2084 1 6 . 1 1 29 29 SER CA C 29 57.782 57.782 57.889 -0.107 19391 2085 1 6 . 1 1 29 29 SER CB C 29 63.353 63.353 62.810 0.543 19391 2086 1 6 . 1 1 29 29 SER H H 29 8.397 8.397 7.981 0.416 19391 2087 1 6 . 1 1 30 30 ALA N N 30 124.539 124.539 123.732 0.807 19391 2088 1 6 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.000 -0.088 19391 2089 1 6 . 1 1 30 30 ALA C C 30 178.198 178.198 178.480 -0.282 19391 2090 1 6 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.891 -0.315 19391 2091 1 6 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.794 -0.372 19391 2092 1 6 . 1 1 30 30 ALA H H 30 7.623 7.623 7.386 0.237 19391 2093 1 6 . 1 1 31 31 GLY N N 31 109.642 109.642 113.772 -4.130 19391 2094 1 6 . 1 1 31 31 GLY C C 31 174.534 174.534 174.459 0.075 19391 2095 1 6 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.907 0.335 19391 2096 1 6 . 1 1 31 31 GLY H H 31 8.713 8.713 8.677 0.036 19391 2097 1 6 . 1 1 32 32 HIS N N 32 119.677 119.677 120.960 -1.283 19391 2098 1 6 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.755 -0.191 19391 2099 1 6 . 1 1 32 32 HIS C C 32 174.544 174.544 174.486 0.058 19391 2100 1 6 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.472 -0.056 19391 2101 1 6 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.780 -1.194 19391 2102 1 6 . 1 1 32 32 HIS H H 32 8.304 8.304 8.046 0.258 19391 2103 1 6 . 1 1 33 33 ARG N N 33 124.677 124.677 119.391 5.286 19391 2104 1 6 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.484 0.121 19391 2105 1 6 . 1 1 33 33 ARG C C 33 174.869 174.869 175.003 -0.134 19391 2106 1 6 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.599 0.163 19391 2107 1 6 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.201 -1.001 19391 2108 1 6 . 1 1 33 33 ARG H H 33 8.731 8.731 8.518 0.213 19391 2109 1 6 . 1 1 34 34 ASP N N 34 124.378 124.378 124.607 -0.229 19391 2110 1 6 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.888 -0.012 19391 2111 1 6 . 1 1 34 34 ASP C C 34 174.057 174.057 174.622 -0.565 19391 2112 1 6 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.917 1.128 19391 2113 1 6 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.496 0.356 19391 2114 1 6 . 1 1 34 34 ASP H H 34 8.387 8.387 8.391 -0.004 19391 2115 1 6 . 1 1 35 35 VAL N N 35 121.095 121.095 120.038 1.057 19391 2116 1 6 . 1 1 35 35 VAL HA H 35 4.750 4.750 3.931 0.819 19391 2117 1 6 . 1 1 35 35 VAL C C 35 173.600 173.600 174.131 -0.531 19391 2118 1 6 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.963 0.394 19391 2119 1 6 . 1 1 35 35 VAL CB C 35 34.078 34.078 31.974 2.104 19391 2120 1 6 . 1 1 35 35 VAL H H 35 8.023 8.023 8.290 -0.267 19391 2121 1 6 . 1 1 36 36 PHE N N 36 122.163 122.163 123.912 -1.749 19391 2122 1 6 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.543 1.055 19391 2123 1 6 . 1 1 36 36 PHE C C 36 174.164 174.164 173.385 0.779 19391 2124 1 6 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.139 -1.431 19391 2125 1 6 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.479 1.499 19391 2126 1 6 . 1 1 36 36 PHE H H 36 8.710 8.710 7.992 0.718 19391 2127 1 6 . 1 1 37 37 TYR N N 37 116.406 116.406 117.905 -1.499 19391 2128 1 6 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.266 1.421 19391 2129 1 6 . 1 1 37 37 TYR C C 37 174.694 174.694 174.038 0.656 19391 2130 1 6 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.876 0.988 19391 2131 1 6 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.508 2.970 19391 2132 1 6 . 1 1 37 37 TYR H H 37 8.552 8.552 7.918 0.634 19391 2133 1 6 . 1 1 38 38 TYR N N 38 118.594 118.594 118.861 -0.267 19391 2134 1 6 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.321 0.423 19391 2135 1 6 . 1 1 38 38 TYR C C 38 175.481 175.481 175.558 -0.077 19391 2136 1 6 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.592 0.359 19391 2137 1 6 . 1 1 38 38 TYR CB C 38 42.287 42.287 40.902 1.385 19391 2138 1 6 . 1 1 38 38 TYR H H 38 9.445 9.445 8.360 1.085 19391 2139 1 6 . 1 1 39 39 SER N N 39 118.327 118.327 118.219 0.108 19391 2140 1 6 . 1 1 39 39 SER HA H 39 2.098 2.098 4.074 -1.976 19391 2141 1 6 . 1 1 39 39 SER C C 39 174.399 174.399 174.093 0.306 19391 2142 1 6 . 1 1 39 39 SER CA C 39 55.375 55.375 55.036 0.339 19391 2143 1 6 . 1 1 39 39 SER CB C 39 62.873 62.873 61.298 1.575 19391 2144 1 6 . 1 1 39 39 SER H H 39 8.808 8.808 8.087 0.721 19391 2145 1 6 . 1 1 41 41 SER HA H 41 4.452 4.452 4.486 -0.034 19391 2146 1 6 . 1 1 41 41 SER C C 41 174.963 174.963 175.062 -0.099 19391 2147 1 6 . 1 1 41 41 SER CA C 41 57.861 57.861 57.926 -0.065 19391 2148 1 6 . 1 1 41 41 SER CB C 41 63.763 63.763 63.260 0.504 19391 2149 1 6 . 1 1 42 42 GLY N N 42 111.741 111.741 109.061 2.680 19391 2150 1 6 . 1 1 42 42 GLY C C 42 173.938 173.938 173.649 0.289 19391 2151 1 6 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.177 0.252 19391 2152 1 6 . 1 1 42 42 GLY H H 42 8.292 8.292 7.814 0.478 19391 2153 1 6 . 1 1 43 43 LYS N N 43 122.381 122.381 121.108 1.273 19391 2154 1 6 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.275 -0.184 19391 2155 1 6 . 1 1 43 43 LYS C C 43 174.049 174.049 175.986 -1.937 19391 2156 1 6 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.656 -0.147 19391 2157 1 6 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.653 0.137 19391 2158 1 6 . 1 1 43 43 LYS H H 43 7.361 7.361 7.902 -0.541 19391 2159 1 6 . 1 1 44 44 LYS N N 44 125.831 125.831 126.045 -0.214 19391 2160 1 6 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.362 -0.868 19391 2161 1 6 . 1 1 44 44 LYS C C 44 175.970 175.970 176.054 -0.084 19391 2162 1 6 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.322 0.387 19391 2163 1 6 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.976 2.664 19391 2164 1 6 . 1 1 44 44 LYS H H 44 8.078 8.078 8.321 -0.243 19391 2165 1 6 . 1 1 45 45 PHE N N 45 124.636 124.636 120.562 4.074 19391 2166 1 6 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.129 -0.347 19391 2167 1 6 . 1 1 45 45 PHE C C 45 176.205 176.205 174.093 2.112 19391 2168 1 6 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.666 1.287 19391 2169 1 6 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.093 0.883 19391 2170 1 6 . 1 1 45 45 PHE H H 45 9.707 9.707 8.044 1.663 19391 2171 1 6 . 1 1 46 46 ARG N N 46 117.959 117.959 120.513 -2.554 19391 2172 1 6 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.966 0.434 19391 2173 1 6 . 1 1 46 46 ARG C C 46 175.059 175.059 174.875 0.184 19391 2174 1 6 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.905 -0.583 19391 2175 1 6 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.476 2.907 19391 2176 1 6 . 1 1 46 46 ARG H H 46 9.430 9.430 8.918 0.512 19391 2177 1 6 . 1 1 47 47 SER N N 47 115.115 115.115 116.803 -1.688 19391 2178 1 6 . 1 1 47 47 SER HA H 47 4.069 4.069 4.081 -0.012 19391 2179 1 6 . 1 1 47 47 SER C C 47 172.762 172.762 173.724 -0.962 19391 2180 1 6 . 1 1 47 47 SER CA C 47 56.797 56.797 57.319 -0.521 19391 2181 1 6 . 1 1 47 47 SER CB C 47 66.892 66.892 66.500 0.392 19391 2182 1 6 . 1 1 47 47 SER H H 47 7.926 7.926 8.303 -0.377 19391 2183 1 6 . 1 1 48 48 LYS N N 48 122.914 122.914 122.950 -0.036 19391 2184 1 6 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.473 -0.374 19391 2185 1 6 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.592 1.978 19391 2186 1 6 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.651 -0.401 19391 2187 1 6 . 1 1 48 48 LYS H H 48 8.994 8.994 8.299 0.695 19391 2188 1 6 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.274 0.110 19391 2189 1 6 . 1 1 49 49 PRO C C 49 179.505 179.505 179.206 0.299 19391 2190 1 6 . 1 1 49 49 PRO CA C 49 66.262 66.262 66.042 0.220 19391 2191 1 6 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.168 0.086 19391 2192 1 6 . 1 1 50 50 GLN N N 50 116.141 116.141 116.354 -0.213 19391 2193 1 6 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.178 -0.019 19391 2194 1 6 . 1 1 50 50 GLN C C 50 179.539 179.539 178.500 1.039 19391 2195 1 6 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.654 0.559 19391 2196 1 6 . 1 1 50 50 GLN CB C 50 29.365 29.365 27.922 1.443 19391 2197 1 6 . 1 1 50 50 GLN H H 50 7.333 7.333 8.605 -1.272 19391 2198 1 6 . 1 1 51 51 LEU N N 51 122.318 122.318 121.539 0.779 19391 2199 1 6 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.414 0.398 19391 2200 1 6 . 1 1 51 51 LEU C C 51 177.948 177.948 178.227 -0.279 19391 2201 1 6 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.725 0.419 19391 2202 1 6 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.619 1.832 19391 2203 1 6 . 1 1 51 51 LEU H H 51 7.957 7.957 7.720 0.237 19391 2204 1 6 . 1 1 52 52 ALA N N 52 120.627 120.627 121.021 -0.394 19391 2205 1 6 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.864 0.046 19391 2206 1 6 . 1 1 52 52 ALA C C 52 181.360 181.360 179.074 2.286 19391 2207 1 6 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.817 0.077 19391 2208 1 6 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.381 -0.195 19391 2209 1 6 . 1 1 52 52 ALA H H 52 9.134 9.134 8.432 0.702 19391 2210 1 6 . 1 1 53 53 ARG N N 53 118.087 118.087 119.090 -1.003 19391 2211 1 6 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.917 0.194 19391 2212 1 6 . 1 1 53 53 ARG C C 53 178.186 178.186 178.602 -0.416 19391 2213 1 6 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.224 0.073 19391 2214 1 6 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.224 0.331 19391 2215 1 6 . 1 1 53 53 ARG H H 53 8.095 8.095 7.773 0.322 19391 2216 1 6 . 1 1 54 54 TYR N N 54 119.692 119.692 120.032 -0.340 19391 2217 1 6 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.245 0.132 19391 2218 1 6 . 1 1 54 54 TYR C C 54 177.809 177.809 178.163 -0.354 19391 2219 1 6 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.242 0.100 19391 2220 1 6 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.786 1.613 19391 2221 1 6 . 1 1 54 54 TYR H H 54 7.584 7.584 7.928 -0.344 19391 2222 1 6 . 1 1 55 55 LEU N N 55 117.313 117.313 117.981 -0.668 19391 2223 1 6 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.399 -0.243 19391 2224 1 6 . 1 1 55 55 LEU C C 55 178.784 178.784 177.572 1.212 19391 2225 1 6 . 1 1 55 55 LEU CA C 55 55.788 55.788 55.120 0.668 19391 2226 1 6 . 1 1 55 55 LEU CB C 55 42.783 42.783 40.242 2.541 19391 2227 1 6 . 1 1 55 55 LEU H H 55 8.279 8.279 7.948 0.331 19391 2228 1 6 . 1 1 56 56 GLY N N 56 108.526 108.526 105.258 3.268 19391 2229 1 6 . 1 1 56 56 GLY C C 56 174.749 174.749 175.166 -0.417 19391 2230 1 6 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.739 1.012 19391 2231 1 6 . 1 1 56 56 GLY H H 56 7.911 7.911 7.484 0.427 19391 2232 1 6 . 1 1 57 57 GLY N N 57 109.514 109.514 111.318 -1.804 19391 2233 1 6 . 1 1 57 57 GLY C C 57 175.034 175.034 176.088 -1.054 19391 2234 1 6 . 1 1 57 57 GLY CA C 57 45.648 45.648 46.714 -1.066 19391 2235 1 6 . 1 1 57 57 GLY H H 57 8.644 8.644 8.484 0.160 19391 2236 1 6 . 1 1 58 58 SER N N 58 114.666 114.666 118.549 -3.883 19391 2237 1 6 . 1 1 58 58 SER HA H 58 4.355 4.355 4.203 0.152 19391 2238 1 6 . 1 1 58 58 SER C C 58 173.748 173.748 174.790 -1.042 19391 2239 1 6 . 1 1 58 58 SER CA C 58 60.013 60.013 60.315 -0.302 19391 2240 1 6 . 1 1 58 58 SER CB C 58 64.173 64.173 64.353 -0.180 19391 2241 1 6 . 1 1 58 58 SER H H 58 8.058 8.058 8.634 -0.576 19391 2242 1 6 . 1 1 59 59 MET N N 59 118.467 118.467 118.835 -0.368 19391 2243 1 6 . 1 1 59 59 MET HA H 59 4.475 4.475 4.371 0.104 19391 2244 1 6 . 1 1 59 59 MET C C 59 172.909 172.909 173.412 -0.503 19391 2245 1 6 . 1 1 59 59 MET CA C 59 56.185 56.185 55.863 0.322 19391 2246 1 6 . 1 1 59 59 MET CB C 59 35.552 35.552 35.046 0.506 19391 2247 1 6 . 1 1 59 59 MET H H 59 7.442 7.442 8.028 -0.586 19391 2248 1 6 . 1 1 60 60 ASP N N 60 121.779 121.779 124.100 -2.321 19391 2249 1 6 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.530 0.164 19391 2250 1 6 . 1 1 60 60 ASP C C 60 176.867 176.867 175.894 0.973 19391 2251 1 6 . 1 1 60 60 ASP CA C 60 53.281 53.281 54.449 -1.168 19391 2252 1 6 . 1 1 60 60 ASP CB C 60 40.980 40.980 41.614 -0.634 19391 2253 1 6 . 1 1 60 60 ASP H H 60 8.401 8.401 8.340 0.061 19391 2254 1 6 . 1 1 61 61 LEU N N 61 126.474 126.474 124.607 1.867 19391 2255 1 6 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.654 -0.260 19391 2256 1 6 . 1 1 61 61 LEU C C 61 178.536 178.536 176.767 1.769 19391 2257 1 6 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.316 -0.277 19391 2258 1 6 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.922 -1.309 19391 2259 1 6 . 1 1 61 61 LEU H H 61 9.015 9.015 8.255 0.760 19391 2260 1 6 . 1 1 62 62 SER N N 62 120.014 120.014 117.132 2.882 19391 2261 1 6 . 1 1 62 62 SER HA H 62 4.125 4.125 4.174 -0.049 19391 2262 1 6 . 1 1 62 62 SER C C 62 176.669 176.669 175.194 1.475 19391 2263 1 6 . 1 1 62 62 SER CA C 62 63.345 63.345 61.439 1.906 19391 2264 1 6 . 1 1 62 62 SER CB C 62 62.553 62.553 63.099 -0.546 19391 2265 1 6 . 1 1 62 62 SER H H 62 8.871 8.871 8.554 0.317 19391 2266 1 6 . 1 1 63 63 THR N N 63 110.495 110.495 112.054 -1.559 19391 2267 1 6 . 1 1 63 63 THR HA H 63 4.510 4.510 4.380 0.130 19391 2268 1 6 . 1 1 63 63 THR C C 63 173.862 173.862 172.916 0.946 19391 2269 1 6 . 1 1 63 63 THR CA C 63 61.006 61.006 61.141 -0.135 19391 2270 1 6 . 1 1 63 63 THR CB C 63 67.976 67.976 67.410 0.566 19391 2271 1 6 . 1 1 63 63 THR H H 63 8.363 8.363 7.956 0.407 19391 2272 1 6 . 1 1 64 64 PHE N N 64 123.605 123.605 124.466 -0.861 19391 2273 1 6 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.696 -0.080 19391 2274 1 6 . 1 1 64 64 PHE C C 64 173.716 173.716 173.641 0.075 19391 2275 1 6 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.628 1.389 19391 2276 1 6 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.311 -0.367 19391 2277 1 6 . 1 1 64 64 PHE H H 64 7.472 7.472 8.233 -0.761 19391 2278 1 6 . 1 1 65 65 ASP N N 65 129.564 129.564 128.972 0.592 19391 2279 1 6 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.568 -0.041 19391 2280 1 6 . 1 1 65 65 ASP C C 65 173.973 173.973 175.436 -1.463 19391 2281 1 6 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.393 -0.580 19391 2282 1 6 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.894 1.054 19391 2283 1 6 . 1 1 65 65 ASP H H 65 8.574 8.574 8.334 0.240 19391 2284 1 6 . 1 1 66 66 PHE N N 66 128.221 128.221 126.250 1.971 19391 2285 1 6 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.255 -0.598 19391 2286 1 6 . 1 1 66 66 PHE C C 66 177.535 177.535 176.463 1.072 19391 2287 1 6 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.840 -0.094 19391 2288 1 6 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.703 1.539 19391 2289 1 6 . 1 1 66 66 PHE H H 66 8.886 8.886 8.346 0.540 19391 2290 1 6 . 1 1 67 67 ARG N N 67 116.246 116.246 118.328 -2.082 19391 2291 1 6 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.122 0.639 19391 2292 1 6 . 1 1 67 67 ARG C C 67 178.024 178.024 177.508 0.516 19391 2293 1 6 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.862 0.799 19391 2294 1 6 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.180 0.549 19391 2295 1 6 . 1 1 67 67 ARG H H 67 8.804 8.804 8.711 0.093 19391 2296 1 6 . 1 1 68 68 THR N N 68 105.409 105.409 107.652 -2.243 19391 2297 1 6 . 1 1 68 68 THR HA H 68 4.199 4.199 4.327 -0.128 19391 2298 1 6 . 1 1 68 68 THR C C 68 176.417 176.417 175.468 0.949 19391 2299 1 6 . 1 1 68 68 THR CA C 68 62.233 62.233 61.959 0.274 19391 2300 1 6 . 1 1 68 68 THR CB C 68 71.221 71.221 69.290 1.931 19391 2301 1 6 . 1 1 68 68 THR H H 68 7.407 7.407 7.317 0.090 19391 2302 1 6 . 1 1 69 69 GLY N N 69 113.199 113.199 111.799 1.400 19391 2303 1 6 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.795 1.419 19391 2304 1 6 . 1 1 69 69 GLY H H 69 8.344 8.344 7.799 0.545 19391 2305 1 6 . 1 1 70 70 LYS N N 70 116.533 116.533 116.014 0.519 19391 2306 1 6 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.674 -0.276 19391 2307 1 6 . 1 1 70 70 LYS C C 70 175.022 175.022 174.219 0.803 19391 2308 1 6 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.590 1.023 19391 2309 1 6 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.355 -1.280 19391 2310 1 6 . 1 1 70 70 LYS H H 70 6.887 6.887 7.106 -0.219 19391 2311 1 6 . 1 1 71 71 MET N N 71 119.590 119.590 121.484 -1.894 19391 2312 1 6 . 1 1 71 71 MET HA H 71 4.770 4.770 4.496 0.274 19391 2313 1 6 . 1 1 71 71 MET C C 71 175.810 175.810 176.318 -0.508 19391 2314 1 6 . 1 1 71 71 MET CA C 71 54.296 54.296 55.260 -0.964 19391 2315 1 6 . 1 1 71 71 MET CB C 71 32.118 32.118 32.688 -0.570 19391 2316 1 6 . 1 1 71 71 MET H H 71 8.423 8.423 8.597 -0.174 19391 2317 1 7 . 1 1 2 2 SER HA H 2 4.500 4.500 4.273 0.227 19391 2318 1 7 . 1 1 2 2 SER C C 2 174.803 174.803 173.754 1.049 19391 2319 1 7 . 1 1 2 2 SER CA C 2 58.624 58.624 58.228 0.396 19391 2320 1 7 . 1 1 2 2 SER CB C 2 63.986 63.986 63.474 0.512 19391 2321 1 7 . 1 1 3 3 MET N N 3 122.348 122.348 123.655 -1.307 19391 2322 1 7 . 1 1 3 3 MET HA H 3 4.546 4.546 4.507 0.039 19391 2323 1 7 . 1 1 3 3 MET C C 3 175.969 175.969 176.487 -0.518 19391 2324 1 7 . 1 1 3 3 MET CA C 3 55.560 55.560 55.526 0.034 19391 2325 1 7 . 1 1 3 3 MET CB C 3 32.667 32.667 33.120 -0.453 19391 2326 1 7 . 1 1 3 3 MET H H 3 8.636 8.636 8.278 0.358 19391 2327 1 7 . 1 1 4 4 GLU N N 4 121.792 121.792 122.573 -0.781 19391 2328 1 7 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.328 -0.025 19391 2329 1 7 . 1 1 4 4 GLU C C 4 175.884 175.884 176.182 -0.298 19391 2330 1 7 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.051 0.480 19391 2331 1 7 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.524 0.070 19391 2332 1 7 . 1 1 4 4 GLU H H 4 8.337 8.337 8.435 -0.098 19391 2333 1 7 . 1 1 5 5 ARG N N 5 122.592 122.592 117.129 5.463 19391 2334 1 7 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.997 0.532 19391 2335 1 7 . 1 1 5 5 ARG C C 5 175.556 175.556 175.267 0.289 19391 2336 1 7 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.731 -0.724 19391 2337 1 7 . 1 1 5 5 ARG CB C 5 31.177 31.177 29.366 1.811 19391 2338 1 7 . 1 1 5 5 ARG H H 5 8.319 8.319 8.469 -0.150 19391 2339 1 7 . 1 1 6 6 LYS N N 6 123.750 123.750 124.832 -1.082 19391 2340 1 7 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.205 0.200 19391 2341 1 7 . 1 1 6 6 LYS C C 6 174.335 174.335 174.663 -0.328 19391 2342 1 7 . 1 1 6 6 LYS CA C 6 55.587 55.587 53.697 1.890 19391 2343 1 7 . 1 1 6 6 LYS CB C 6 34.698 34.698 31.616 3.082 19391 2344 1 7 . 1 1 6 6 LYS H H 6 8.372 8.372 7.784 0.588 19391 2345 1 7 . 1 1 7 7 ARG N N 7 121.789 121.789 126.364 -4.575 19391 2346 1 7 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.189 0.836 19391 2347 1 7 . 1 1 7 7 ARG C C 7 174.998 174.998 175.133 -0.135 19391 2348 1 7 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.179 -0.302 19391 2349 1 7 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.148 1.937 19391 2350 1 7 . 1 1 7 7 ARG H H 7 7.894 7.894 8.162 -0.268 19391 2351 1 7 . 1 1 8 8 TRP N N 8 122.774 122.774 125.809 -3.035 19391 2352 1 7 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.083 -0.112 19391 2353 1 7 . 1 1 8 8 TRP C C 8 175.679 175.679 174.617 1.062 19391 2354 1 7 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.269 2.073 19391 2355 1 7 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.506 2.538 19391 2356 1 7 . 1 1 8 8 TRP H H 8 9.002 9.002 8.387 0.615 19391 2357 1 7 . 1 1 9 9 GLU N N 9 121.587 121.587 120.989 0.598 19391 2358 1 7 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.518 -0.044 19391 2359 1 7 . 1 1 9 9 GLU C C 9 176.133 176.133 176.033 0.100 19391 2360 1 7 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.181 1.306 19391 2361 1 7 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.742 -1.488 19391 2362 1 7 . 1 1 9 9 GLU H H 9 8.879 8.879 8.667 0.212 19391 2363 1 7 . 1 1 10 10 CYS N N 10 122.770 122.770 124.016 -1.246 19391 2364 1 7 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.945 0.280 19391 2365 1 7 . 1 1 10 10 CYS C C 10 173.480 173.480 175.365 -1.885 19391 2366 1 7 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.762 0.289 19391 2367 1 7 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.699 -1.424 19391 2368 1 7 . 1 1 10 10 CYS H H 10 8.351 8.351 8.960 -0.609 19391 2369 1 7 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.362 0.282 19391 2370 1 7 . 1 1 11 11 PRO C C 11 176.160 176.160 176.364 -0.204 19391 2371 1 7 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.471 0.294 19391 2372 1 7 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.753 0.452 19391 2373 1 7 . 1 1 12 12 ALA N N 12 118.459 118.459 118.705 -0.246 19391 2374 1 7 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.338 -0.074 19391 2375 1 7 . 1 1 12 12 ALA C C 12 176.998 176.998 176.855 0.143 19391 2376 1 7 . 1 1 12 12 ALA CA C 12 53.174 53.174 51.877 1.297 19391 2377 1 7 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.043 1.153 19391 2378 1 7 . 1 1 12 12 ALA H H 12 7.635 7.635 8.234 -0.599 19391 2379 1 7 . 1 1 13 13 LEU N N 13 117.171 117.171 122.240 -5.069 19391 2380 1 7 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.605 -0.290 19391 2381 1 7 . 1 1 13 13 LEU C C 13 173.277 173.277 174.520 -1.243 19391 2382 1 7 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.449 -0.291 19391 2383 1 7 . 1 1 13 13 LEU CB C 13 40.980 40.980 42.440 -1.460 19391 2384 1 7 . 1 1 13 13 LEU H H 13 7.449 7.449 7.425 0.024 19391 2385 1 7 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.380 0.054 19391 2386 1 7 . 1 1 14 14 PRO C C 14 174.999 174.999 176.559 -1.560 19391 2387 1 7 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.715 -0.017 19391 2388 1 7 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.486 -0.675 19391 2389 1 7 . 1 1 15 15 GLN N N 15 120.091 120.091 120.312 -0.221 19391 2390 1 7 . 1 1 15 15 GLN HA H 15 4.149 4.149 3.956 0.193 19391 2391 1 7 . 1 1 15 15 GLN C C 15 177.099 177.099 176.907 0.192 19391 2392 1 7 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.848 0.485 19391 2393 1 7 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.219 0.637 19391 2394 1 7 . 1 1 15 15 GLN H H 15 8.368 8.368 8.636 -0.268 19391 2395 1 7 . 1 1 16 16 GLY N N 16 113.023 113.023 109.524 3.499 19391 2396 1 7 . 1 1 16 16 GLY C C 16 174.735 174.735 174.032 0.703 19391 2397 1 7 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.568 0.725 19391 2398 1 7 . 1 1 16 16 GLY H H 16 8.828 8.828 8.256 0.572 19391 2399 1 7 . 1 1 17 17 TRP N N 17 121.152 121.152 122.886 -1.734 19391 2400 1 7 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.326 -0.509 19391 2401 1 7 . 1 1 17 17 TRP C C 17 177.275 177.275 175.782 1.493 19391 2402 1 7 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.260 1.893 19391 2403 1 7 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.709 -0.419 19391 2404 1 7 . 1 1 17 17 TRP H H 17 8.006 8.006 8.492 -0.486 19391 2405 1 7 . 1 1 18 18 GLU N N 18 120.147 120.147 119.223 0.924 19391 2406 1 7 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.841 0.414 19391 2407 1 7 . 1 1 18 18 GLU C C 18 174.373 174.373 174.284 0.089 19391 2408 1 7 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.676 -0.585 19391 2409 1 7 . 1 1 18 18 GLU CB C 18 35.375 35.375 35.167 0.207 19391 2410 1 7 . 1 1 18 18 GLU H H 18 8.934 8.934 8.633 0.301 19391 2411 1 7 . 1 1 19 19 ARG N N 19 122.215 122.215 118.779 3.436 19391 2412 1 7 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.054 -0.048 19391 2413 1 7 . 1 1 19 19 ARG C C 19 174.040 174.040 173.984 0.056 19391 2414 1 7 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.182 0.184 19391 2415 1 7 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.925 0.965 19391 2416 1 7 . 1 1 19 19 ARG H H 19 9.300 9.300 8.435 0.865 19391 2417 1 7 . 1 1 20 20 GLU N N 20 127.885 127.885 120.248 7.637 19391 2418 1 7 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.047 0.238 19391 2419 1 7 . 1 1 20 20 GLU C C 20 173.582 173.582 174.341 -0.759 19391 2420 1 7 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.098 0.356 19391 2421 1 7 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.123 2.449 19391 2422 1 7 . 1 1 20 20 GLU H H 20 9.460 9.460 8.477 0.983 19391 2423 1 7 . 1 1 21 21 GLU N N 21 123.590 123.590 123.466 0.124 19391 2424 1 7 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.993 0.325 19391 2425 1 7 . 1 1 21 21 GLU C C 21 176.091 176.091 175.020 1.071 19391 2426 1 7 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.318 -0.860 19391 2427 1 7 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.306 0.546 19391 2428 1 7 . 1 1 21 21 GLU H H 21 8.580 8.580 8.045 0.535 19391 2429 1 7 . 1 1 22 22 VAL N N 22 123.718 123.718 125.362 -1.644 19391 2430 1 7 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.575 0.193 19391 2431 1 7 . 1 1 22 22 VAL C C 22 169.573 169.573 173.542 -3.969 19391 2432 1 7 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.555 0.434 19391 2433 1 7 . 1 1 22 22 VAL CB C 22 35.259 35.259 33.903 1.356 19391 2434 1 7 . 1 1 22 22 VAL H H 22 9.177 9.177 9.218 -0.041 19391 2435 1 7 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.409 0.346 19391 2436 1 7 . 1 1 23 23 PRO C C 23 176.679 176.679 176.362 0.317 19391 2437 1 7 . 1 1 23 23 PRO CA C 23 62.464 62.464 63.417 -0.953 19391 2438 1 7 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.041 0.057 19391 2439 1 7 . 1 1 24 24 ARG N N 24 123.629 123.629 122.389 1.240 19391 2440 1 7 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.123 0.365 19391 2441 1 7 . 1 1 24 24 ARG C C 24 177.926 177.926 176.978 0.948 19391 2442 1 7 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.968 -0.538 19391 2443 1 7 . 1 1 24 24 ARG CB C 24 30.988 30.988 28.402 2.586 19391 2444 1 7 . 1 1 24 24 ARG H H 24 8.726 8.726 8.088 0.638 19391 2445 1 7 . 1 1 25 25 ARG N N 25 124.327 124.327 126.171 -1.844 19391 2446 1 7 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.131 0.212 19391 2447 1 7 . 1 1 25 25 ARG C C 25 176.213 176.213 176.956 -0.743 19391 2448 1 7 . 1 1 25 25 ARG CA C 25 57.470 57.470 58.538 -1.067 19391 2449 1 7 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.392 0.816 19391 2450 1 7 . 1 1 25 25 ARG H H 25 9.070 9.070 8.523 0.547 19391 2451 1 7 . 1 1 26 26 SER N N 26 114.348 114.348 112.839 1.509 19391 2452 1 7 . 1 1 26 26 SER HA H 26 4.652 4.652 4.549 0.103 19391 2453 1 7 . 1 1 26 26 SER C C 26 173.704 173.704 173.933 -0.229 19391 2454 1 7 . 1 1 26 26 SER CA C 26 57.727 57.727 58.268 -0.541 19391 2455 1 7 . 1 1 26 26 SER CB C 26 65.099 65.099 63.101 1.998 19391 2456 1 7 . 1 1 26 26 SER H H 26 8.071 8.071 8.061 0.010 19391 2457 1 7 . 1 1 27 27 GLY N N 27 108.224 108.224 110.389 -2.165 19391 2458 1 7 . 1 1 27 27 GLY C C 27 175.321 175.321 175.449 -0.128 19391 2459 1 7 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.175 0.987 19391 2460 1 7 . 1 1 27 27 GLY H H 27 8.433 8.433 8.043 0.390 19391 2461 1 7 . 1 1 28 28 LEU N N 28 122.251 122.251 120.952 1.299 19391 2462 1 7 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.165 0.084 19391 2463 1 7 . 1 1 28 28 LEU C C 28 178.691 178.691 178.084 0.607 19391 2464 1 7 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.757 0.036 19391 2465 1 7 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.033 0.150 19391 2466 1 7 . 1 1 28 28 LEU H H 28 8.752 8.752 8.526 0.226 19391 2467 1 7 . 1 1 29 29 SER N N 29 113.375 113.375 112.416 0.959 19391 2468 1 7 . 1 1 29 29 SER HA H 29 4.440 4.440 4.555 -0.115 19391 2469 1 7 . 1 1 29 29 SER C C 29 173.707 173.707 174.115 -0.408 19391 2470 1 7 . 1 1 29 29 SER CA C 29 57.782 57.782 57.367 0.415 19391 2471 1 7 . 1 1 29 29 SER CB C 29 63.353 63.353 62.620 0.733 19391 2472 1 7 . 1 1 29 29 SER H H 29 8.397 8.397 8.022 0.375 19391 2473 1 7 . 1 1 30 30 ALA N N 30 124.539 124.539 124.266 0.273 19391 2474 1 7 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.099 -0.187 19391 2475 1 7 . 1 1 30 30 ALA C C 30 178.198 178.198 178.553 -0.355 19391 2476 1 7 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.718 -0.142 19391 2477 1 7 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.957 -0.535 19391 2478 1 7 . 1 1 30 30 ALA H H 30 7.623 7.623 7.235 0.388 19391 2479 1 7 . 1 1 31 31 GLY N N 31 109.642 109.642 106.469 3.173 19391 2480 1 7 . 1 1 31 31 GLY C C 31 174.534 174.534 173.540 0.994 19391 2481 1 7 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.861 0.382 19391 2482 1 7 . 1 1 31 31 GLY H H 31 8.713 8.713 8.633 0.080 19391 2483 1 7 . 1 1 32 32 HIS N N 32 119.677 119.677 118.741 0.936 19391 2484 1 7 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.836 -0.272 19391 2485 1 7 . 1 1 32 32 HIS C C 32 174.544 174.544 173.571 0.973 19391 2486 1 7 . 1 1 32 32 HIS CA C 32 56.416 56.416 54.825 1.591 19391 2487 1 7 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.875 -2.289 19391 2488 1 7 . 1 1 32 32 HIS H H 32 8.304 8.304 7.932 0.372 19391 2489 1 7 . 1 1 33 33 ARG N N 33 124.677 124.677 119.082 5.595 19391 2490 1 7 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.602 0.003 19391 2491 1 7 . 1 1 33 33 ARG C C 33 174.869 174.869 174.682 0.187 19391 2492 1 7 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.428 0.334 19391 2493 1 7 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.096 -0.896 19391 2494 1 7 . 1 1 33 33 ARG H H 33 8.731 8.731 8.410 0.321 19391 2495 1 7 . 1 1 34 34 ASP N N 34 124.378 124.378 123.391 0.987 19391 2496 1 7 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.913 -0.037 19391 2497 1 7 . 1 1 34 34 ASP C C 34 174.057 174.057 174.616 -0.559 19391 2498 1 7 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.161 0.884 19391 2499 1 7 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.827 0.025 19391 2500 1 7 . 1 1 34 34 ASP H H 34 8.387 8.387 8.846 -0.459 19391 2501 1 7 . 1 1 35 35 VAL N N 35 121.095 121.095 122.988 -1.893 19391 2502 1 7 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.897 -0.147 19391 2503 1 7 . 1 1 35 35 VAL C C 35 173.600 173.600 174.370 -0.770 19391 2504 1 7 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.038 0.320 19391 2505 1 7 . 1 1 35 35 VAL CB C 35 34.078 34.078 34.165 -0.087 19391 2506 1 7 . 1 1 35 35 VAL H H 35 8.023 8.023 8.280 -0.257 19391 2507 1 7 . 1 1 36 36 PHE N N 36 122.163 122.163 123.052 -0.889 19391 2508 1 7 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.732 0.866 19391 2509 1 7 . 1 1 36 36 PHE C C 36 174.164 174.164 174.167 -0.003 19391 2510 1 7 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.341 -1.633 19391 2511 1 7 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.605 1.373 19391 2512 1 7 . 1 1 36 36 PHE H H 36 8.710 8.710 8.338 0.372 19391 2513 1 7 . 1 1 37 37 TYR N N 37 116.406 116.406 118.073 -1.667 19391 2514 1 7 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.903 0.784 19391 2515 1 7 . 1 1 37 37 TYR C C 37 174.694 174.694 174.136 0.558 19391 2516 1 7 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.014 0.850 19391 2517 1 7 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.886 2.591 19391 2518 1 7 . 1 1 37 37 TYR H H 37 8.552 8.552 8.006 0.546 19391 2519 1 7 . 1 1 38 38 TYR N N 38 118.594 118.594 119.197 -0.603 19391 2520 1 7 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.132 0.612 19391 2521 1 7 . 1 1 38 38 TYR C C 38 175.481 175.481 175.212 0.269 19391 2522 1 7 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.206 -0.256 19391 2523 1 7 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.887 0.400 19391 2524 1 7 . 1 1 38 38 TYR H H 38 9.445 9.445 9.104 0.341 19391 2525 1 7 . 1 1 39 39 SER N N 39 118.327 118.327 117.169 1.158 19391 2526 1 7 . 1 1 39 39 SER HA H 39 2.098 2.098 3.892 -1.794 19391 2527 1 7 . 1 1 39 39 SER C C 39 174.399 174.399 174.213 0.186 19391 2528 1 7 . 1 1 39 39 SER CA C 39 55.375 55.375 54.368 1.007 19391 2529 1 7 . 1 1 39 39 SER CB C 39 62.873 62.873 62.981 -0.108 19391 2530 1 7 . 1 1 39 39 SER H H 39 8.808 8.808 8.160 0.648 19391 2531 1 7 . 1 1 41 41 SER HA H 41 4.452 4.452 4.417 0.035 19391 2532 1 7 . 1 1 41 41 SER C C 41 174.963 174.963 175.509 -0.546 19391 2533 1 7 . 1 1 41 41 SER CA C 41 57.861 57.861 58.635 -0.774 19391 2534 1 7 . 1 1 41 41 SER CB C 41 63.763 63.763 63.696 0.067 19391 2535 1 7 . 1 1 42 42 GLY N N 42 111.741 111.741 109.653 2.088 19391 2536 1 7 . 1 1 42 42 GLY C C 42 173.938 173.938 173.766 0.172 19391 2537 1 7 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.179 0.250 19391 2538 1 7 . 1 1 42 42 GLY H H 42 8.292 8.292 8.055 0.237 19391 2539 1 7 . 1 1 43 43 LYS N N 43 122.381 122.381 122.458 -0.077 19391 2540 1 7 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.272 -0.181 19391 2541 1 7 . 1 1 43 43 LYS C C 43 174.049 174.049 175.980 -1.931 19391 2542 1 7 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.263 0.246 19391 2543 1 7 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.722 0.068 19391 2544 1 7 . 1 1 43 43 LYS H H 43 7.361 7.361 7.645 -0.284 19391 2545 1 7 . 1 1 44 44 LYS N N 44 125.831 125.831 125.775 0.056 19391 2546 1 7 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.311 -0.817 19391 2547 1 7 . 1 1 44 44 LYS C C 44 175.970 175.970 176.030 -0.060 19391 2548 1 7 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.205 0.504 19391 2549 1 7 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.526 2.114 19391 2550 1 7 . 1 1 44 44 LYS H H 44 8.078 8.078 8.371 -0.293 19391 2551 1 7 . 1 1 45 45 PHE N N 45 124.636 124.636 120.637 3.999 19391 2552 1 7 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.876 -0.094 19391 2553 1 7 . 1 1 45 45 PHE C C 45 176.205 176.205 174.076 2.129 19391 2554 1 7 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.285 1.668 19391 2555 1 7 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.409 1.567 19391 2556 1 7 . 1 1 45 45 PHE H H 45 9.707 9.707 7.963 1.744 19391 2557 1 7 . 1 1 46 46 ARG N N 46 117.959 117.959 122.716 -4.757 19391 2558 1 7 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.772 0.628 19391 2559 1 7 . 1 1 46 46 ARG C C 46 175.059 175.059 174.932 0.127 19391 2560 1 7 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.899 -0.577 19391 2561 1 7 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.267 3.115 19391 2562 1 7 . 1 1 46 46 ARG H H 46 9.430 9.430 8.826 0.604 19391 2563 1 7 . 1 1 47 47 SER N N 47 115.115 115.115 116.463 -1.348 19391 2564 1 7 . 1 1 47 47 SER HA H 47 4.069 4.069 4.545 -0.476 19391 2565 1 7 . 1 1 47 47 SER C C 47 172.762 172.762 174.659 -1.897 19391 2566 1 7 . 1 1 47 47 SER CA C 47 56.797 56.797 57.261 -0.464 19391 2567 1 7 . 1 1 47 47 SER CB C 47 66.892 66.892 65.130 1.762 19391 2568 1 7 . 1 1 47 47 SER H H 47 7.926 7.926 8.047 -0.121 19391 2569 1 7 . 1 1 48 48 LYS N N 48 122.914 122.914 128.512 -5.598 19391 2570 1 7 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.189 -0.090 19391 2571 1 7 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.423 1.147 19391 2572 1 7 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.646 -0.396 19391 2573 1 7 . 1 1 48 48 LYS H H 48 8.994 8.994 8.601 0.393 19391 2574 1 7 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.152 0.232 19391 2575 1 7 . 1 1 49 49 PRO C C 49 179.505 179.505 178.969 0.536 19391 2576 1 7 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.869 0.393 19391 2577 1 7 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.097 0.157 19391 2578 1 7 . 1 1 50 50 GLN N N 50 116.141 116.141 118.243 -2.102 19391 2579 1 7 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.056 0.103 19391 2580 1 7 . 1 1 50 50 GLN C C 50 179.539 179.539 178.322 1.217 19391 2581 1 7 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.911 0.302 19391 2582 1 7 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.580 0.785 19391 2583 1 7 . 1 1 50 50 GLN H H 50 7.333 7.333 8.134 -0.801 19391 2584 1 7 . 1 1 51 51 LEU N N 51 122.318 122.318 120.483 1.835 19391 2585 1 7 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.868 -0.056 19391 2586 1 7 . 1 1 51 51 LEU C C 51 177.948 177.948 178.106 -0.158 19391 2587 1 7 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.414 0.730 19391 2588 1 7 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.848 1.603 19391 2589 1 7 . 1 1 51 51 LEU H H 51 7.957 7.957 7.598 0.359 19391 2590 1 7 . 1 1 52 52 ALA N N 52 120.627 120.627 121.570 -0.943 19391 2591 1 7 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.877 0.033 19391 2592 1 7 . 1 1 52 52 ALA C C 52 181.360 181.360 179.146 2.214 19391 2593 1 7 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.067 -0.173 19391 2594 1 7 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.323 -0.137 19391 2595 1 7 . 1 1 52 52 ALA H H 52 9.134 9.134 7.956 1.178 19391 2596 1 7 . 1 1 53 53 ARG N N 53 118.087 118.087 119.046 -0.959 19391 2597 1 7 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.914 0.196 19391 2598 1 7 . 1 1 53 53 ARG C C 53 178.186 178.186 178.358 -0.172 19391 2599 1 7 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.312 -0.016 19391 2600 1 7 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.220 0.335 19391 2601 1 7 . 1 1 53 53 ARG H H 53 8.095 8.095 7.731 0.364 19391 2602 1 7 . 1 1 54 54 TYR N N 54 119.692 119.692 119.660 0.032 19391 2603 1 7 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.232 0.145 19391 2604 1 7 . 1 1 54 54 TYR C C 54 177.809 177.809 178.375 -0.566 19391 2605 1 7 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.167 0.174 19391 2606 1 7 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.726 1.673 19391 2607 1 7 . 1 1 54 54 TYR H H 54 7.584 7.584 7.703 -0.119 19391 2608 1 7 . 1 1 55 55 LEU N N 55 117.313 117.313 118.004 -0.691 19391 2609 1 7 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.225 -0.070 19391 2610 1 7 . 1 1 55 55 LEU C C 55 178.784 178.784 178.935 -0.151 19391 2611 1 7 . 1 1 55 55 LEU CA C 55 55.788 55.788 55.331 0.457 19391 2612 1 7 . 1 1 55 55 LEU CB C 55 42.783 42.783 40.198 2.585 19391 2613 1 7 . 1 1 55 55 LEU H H 55 8.279 8.279 8.612 -0.333 19391 2614 1 7 . 1 1 56 56 GLY N N 56 108.526 108.526 108.665 -0.139 19391 2615 1 7 . 1 1 56 56 GLY C C 56 174.749 174.749 175.258 -0.509 19391 2616 1 7 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.850 -0.099 19391 2617 1 7 . 1 1 56 56 GLY H H 56 7.911 7.911 8.144 -0.233 19391 2618 1 7 . 1 1 57 57 GLY N N 57 109.514 109.514 106.620 2.894 19391 2619 1 7 . 1 1 57 57 GLY C C 57 175.034 175.034 174.648 0.386 19391 2620 1 7 . 1 1 57 57 GLY CA C 57 45.648 45.648 44.912 0.736 19391 2621 1 7 . 1 1 57 57 GLY H H 57 8.644 8.644 7.690 0.954 19391 2622 1 7 . 1 1 58 58 SER N N 58 114.666 114.666 115.968 -1.302 19391 2623 1 7 . 1 1 58 58 SER HA H 58 4.355 4.355 4.555 -0.200 19391 2624 1 7 . 1 1 58 58 SER C C 58 173.748 173.748 174.230 -0.482 19391 2625 1 7 . 1 1 58 58 SER CA C 58 60.013 60.013 58.523 1.490 19391 2626 1 7 . 1 1 58 58 SER CB C 58 64.173 64.173 64.698 -0.525 19391 2627 1 7 . 1 1 58 58 SER H H 58 8.058 8.058 7.617 0.441 19391 2628 1 7 . 1 1 59 59 MET N N 59 118.467 118.467 119.364 -0.897 19391 2629 1 7 . 1 1 59 59 MET HA H 59 4.475 4.475 4.506 -0.031 19391 2630 1 7 . 1 1 59 59 MET C C 59 172.909 172.909 173.020 -0.111 19391 2631 1 7 . 1 1 59 59 MET CA C 59 56.185 56.185 56.231 -0.046 19391 2632 1 7 . 1 1 59 59 MET CB C 59 35.552 35.552 35.393 0.159 19391 2633 1 7 . 1 1 59 59 MET H H 59 7.442 7.442 8.150 -0.708 19391 2634 1 7 . 1 1 60 60 ASP N N 60 121.779 121.779 122.151 -0.372 19391 2635 1 7 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.828 -0.134 19391 2636 1 7 . 1 1 60 60 ASP C C 60 176.867 176.867 176.117 0.750 19391 2637 1 7 . 1 1 60 60 ASP CA C 60 53.281 53.281 54.352 -1.071 19391 2638 1 7 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.619 0.361 19391 2639 1 7 . 1 1 60 60 ASP H H 60 8.401 8.401 8.627 -0.226 19391 2640 1 7 . 1 1 61 61 LEU N N 61 126.474 126.474 125.076 1.398 19391 2641 1 7 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.570 -0.176 19391 2642 1 7 . 1 1 61 61 LEU C C 61 178.536 178.536 177.397 1.139 19391 2643 1 7 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.924 -0.885 19391 2644 1 7 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.636 -1.023 19391 2645 1 7 . 1 1 61 61 LEU H H 61 9.015 9.015 8.415 0.600 19391 2646 1 7 . 1 1 62 62 SER N N 62 120.014 120.014 116.103 3.911 19391 2647 1 7 . 1 1 62 62 SER HA H 62 4.125 4.125 4.193 -0.068 19391 2648 1 7 . 1 1 62 62 SER C C 62 176.669 176.669 175.416 1.253 19391 2649 1 7 . 1 1 62 62 SER CA C 62 63.345 63.345 60.980 2.365 19391 2650 1 7 . 1 1 62 62 SER CB C 62 62.553 62.553 62.459 0.095 19391 2651 1 7 . 1 1 62 62 SER H H 62 8.871 8.871 8.477 0.394 19391 2652 1 7 . 1 1 63 63 THR N N 63 110.495 110.495 112.942 -2.447 19391 2653 1 7 . 1 1 63 63 THR HA H 63 4.510 4.510 4.386 0.124 19391 2654 1 7 . 1 1 63 63 THR C C 63 173.862 173.862 173.608 0.254 19391 2655 1 7 . 1 1 63 63 THR CA C 63 61.006 61.006 61.843 -0.837 19391 2656 1 7 . 1 1 63 63 THR CB C 63 67.976 67.976 68.173 -0.197 19391 2657 1 7 . 1 1 63 63 THR H H 63 8.363 8.363 7.983 0.380 19391 2658 1 7 . 1 1 64 64 PHE N N 64 123.605 123.605 124.138 -0.533 19391 2659 1 7 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.781 -0.165 19391 2660 1 7 . 1 1 64 64 PHE C C 64 173.716 173.716 173.492 0.224 19391 2661 1 7 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.922 1.095 19391 2662 1 7 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.124 -0.180 19391 2663 1 7 . 1 1 64 64 PHE H H 64 7.472 7.472 8.149 -0.677 19391 2664 1 7 . 1 1 65 65 ASP N N 65 129.564 129.564 128.536 1.028 19391 2665 1 7 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.474 0.053 19391 2666 1 7 . 1 1 65 65 ASP C C 65 173.973 173.973 175.646 -1.673 19391 2667 1 7 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.832 -1.019 19391 2668 1 7 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.867 1.081 19391 2669 1 7 . 1 1 65 65 ASP H H 65 8.574 8.574 8.645 -0.071 19391 2670 1 7 . 1 1 66 66 PHE N N 66 128.221 128.221 127.034 1.187 19391 2671 1 7 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.296 -0.639 19391 2672 1 7 . 1 1 66 66 PHE C C 66 177.535 177.535 176.867 0.668 19391 2673 1 7 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.855 -0.109 19391 2674 1 7 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.995 1.246 19391 2675 1 7 . 1 1 66 66 PHE H H 66 8.886 8.886 8.113 0.773 19391 2676 1 7 . 1 1 67 67 ARG N N 67 116.246 116.246 116.615 -0.369 19391 2677 1 7 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.055 0.706 19391 2678 1 7 . 1 1 67 67 ARG C C 67 178.024 178.024 178.012 0.012 19391 2679 1 7 . 1 1 67 67 ARG CA C 67 59.661 59.661 59.335 0.326 19391 2680 1 7 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.685 0.044 19391 2681 1 7 . 1 1 67 67 ARG H H 67 8.804 8.804 8.806 -0.002 19391 2682 1 7 . 1 1 68 68 THR N N 68 105.409 105.409 107.073 -1.664 19391 2683 1 7 . 1 1 68 68 THR HA H 68 4.199 4.199 4.272 -0.073 19391 2684 1 7 . 1 1 68 68 THR C C 68 176.417 176.417 175.345 1.072 19391 2685 1 7 . 1 1 68 68 THR CA C 68 62.233 62.233 61.935 0.298 19391 2686 1 7 . 1 1 68 68 THR CB C 68 71.221 71.221 69.367 1.854 19391 2687 1 7 . 1 1 68 68 THR H H 68 7.407 7.407 7.519 -0.112 19391 2688 1 7 . 1 1 69 69 GLY N N 69 113.199 113.199 110.999 2.200 19391 2689 1 7 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.588 1.626 19391 2690 1 7 . 1 1 69 69 GLY H H 69 8.344 8.344 7.887 0.457 19391 2691 1 7 . 1 1 70 70 LYS N N 70 116.533 116.533 118.278 -1.745 19391 2692 1 7 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.721 -0.323 19391 2693 1 7 . 1 1 70 70 LYS C C 70 175.022 175.022 174.901 0.121 19391 2694 1 7 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.938 0.675 19391 2695 1 7 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.768 -0.693 19391 2696 1 7 . 1 1 70 70 LYS H H 70 6.887 6.887 7.106 -0.219 19391 2697 1 7 . 1 1 71 71 MET N N 71 119.590 119.590 123.255 -3.665 19391 2698 1 7 . 1 1 71 71 MET HA H 71 4.770 4.770 4.971 -0.201 19391 2699 1 7 . 1 1 71 71 MET C C 71 175.810 175.810 174.834 0.976 19391 2700 1 7 . 1 1 71 71 MET CA C 71 54.296 54.296 55.749 -1.453 19391 2701 1 7 . 1 1 71 71 MET CB C 71 32.118 32.118 33.753 -1.635 19391 2702 1 7 . 1 1 71 71 MET H H 71 8.423 8.423 8.738 -0.315 19391 2703 1 8 . 1 1 2 2 SER HA H 2 4.500 4.500 4.170 0.330 19391 2704 1 8 . 1 1 2 2 SER C C 2 174.803 174.803 174.002 0.801 19391 2705 1 8 . 1 1 2 2 SER CA C 2 58.624 58.624 58.791 -0.168 19391 2706 1 8 . 1 1 2 2 SER CB C 2 63.986 63.986 63.118 0.868 19391 2707 1 8 . 1 1 3 3 MET N N 3 122.348 122.348 119.119 3.229 19391 2708 1 8 . 1 1 3 3 MET HA H 3 4.546 4.546 4.425 0.121 19391 2709 1 8 . 1 1 3 3 MET C C 3 175.969 175.969 176.194 -0.225 19391 2710 1 8 . 1 1 3 3 MET CA C 3 55.560 55.560 55.346 0.214 19391 2711 1 8 . 1 1 3 3 MET CB C 3 32.667 32.667 33.236 -0.569 19391 2712 1 8 . 1 1 3 3 MET H H 3 8.636 8.636 7.688 0.949 19391 2713 1 8 . 1 1 4 4 GLU N N 4 121.792 121.792 123.001 -1.209 19391 2714 1 8 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.373 -0.070 19391 2715 1 8 . 1 1 4 4 GLU C C 4 175.884 175.884 175.853 0.031 19391 2716 1 8 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.860 0.671 19391 2717 1 8 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.641 -0.047 19391 2718 1 8 . 1 1 4 4 GLU H H 4 8.337 8.337 8.492 -0.155 19391 2719 1 8 . 1 1 5 5 ARG N N 5 122.592 122.592 123.238 -0.646 19391 2720 1 8 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.260 0.269 19391 2721 1 8 . 1 1 5 5 ARG C C 5 175.556 175.556 176.672 -1.116 19391 2722 1 8 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.909 0.098 19391 2723 1 8 . 1 1 5 5 ARG CB C 5 31.177 31.177 30.925 0.252 19391 2724 1 8 . 1 1 5 5 ARG H H 5 8.319 8.319 8.486 -0.167 19391 2725 1 8 . 1 1 6 6 LYS N N 6 123.750 123.750 123.614 0.136 19391 2726 1 8 . 1 1 6 6 LYS HA H 6 4.405 4.405 3.988 0.417 19391 2727 1 8 . 1 1 6 6 LYS C C 6 174.335 174.335 174.805 -0.470 19391 2728 1 8 . 1 1 6 6 LYS CA C 6 55.587 55.587 56.400 -0.813 19391 2729 1 8 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.859 1.839 19391 2730 1 8 . 1 1 6 6 LYS H H 6 8.372 8.372 8.368 0.004 19391 2731 1 8 . 1 1 7 7 ARG N N 7 121.789 121.789 121.201 0.588 19391 2732 1 8 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.319 0.706 19391 2733 1 8 . 1 1 7 7 ARG C C 7 174.998 174.998 173.803 1.195 19391 2734 1 8 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.624 0.252 19391 2735 1 8 . 1 1 7 7 ARG CB C 7 33.085 33.085 33.107 -0.022 19391 2736 1 8 . 1 1 7 7 ARG H H 7 7.894 7.894 7.676 0.218 19391 2737 1 8 . 1 1 8 8 TRP N N 8 122.774 122.774 123.401 -0.627 19391 2738 1 8 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.902 0.069 19391 2739 1 8 . 1 1 8 8 TRP C C 8 175.679 175.679 173.908 1.771 19391 2740 1 8 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.948 0.394 19391 2741 1 8 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.249 2.795 19391 2742 1 8 . 1 1 8 8 TRP H H 8 9.002 9.002 8.585 0.417 19391 2743 1 8 . 1 1 9 9 GLU N N 9 121.587 121.587 123.599 -2.012 19391 2744 1 8 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.763 -0.289 19391 2745 1 8 . 1 1 9 9 GLU C C 9 176.133 176.133 176.026 0.107 19391 2746 1 8 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.041 2.446 19391 2747 1 8 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.082 -0.828 19391 2748 1 8 . 1 1 9 9 GLU H H 9 8.879 8.879 8.743 0.136 19391 2749 1 8 . 1 1 10 10 CYS N N 10 122.770 122.770 125.397 -2.627 19391 2750 1 8 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.994 0.231 19391 2751 1 8 . 1 1 10 10 CYS C C 10 173.480 173.480 175.136 -1.656 19391 2752 1 8 . 1 1 10 10 CYS CA C 10 56.051 56.051 54.944 1.107 19391 2753 1 8 . 1 1 10 10 CYS CB C 10 28.275 28.275 28.366 -0.091 19391 2754 1 8 . 1 1 10 10 CYS H H 10 8.351 8.351 8.824 -0.473 19391 2755 1 8 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.351 0.293 19391 2756 1 8 . 1 1 11 11 PRO C C 11 176.160 176.160 177.010 -0.850 19391 2757 1 8 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.096 0.668 19391 2758 1 8 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.803 0.402 19391 2759 1 8 . 1 1 12 12 ALA N N 12 118.459 118.459 119.220 -0.761 19391 2760 1 8 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.133 0.131 19391 2761 1 8 . 1 1 12 12 ALA C C 12 176.998 176.998 177.495 -0.497 19391 2762 1 8 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.218 -0.044 19391 2763 1 8 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.001 1.195 19391 2764 1 8 . 1 1 12 12 ALA H H 12 7.635 7.635 8.116 -0.481 19391 2765 1 8 . 1 1 13 13 LEU N N 13 117.171 117.171 119.021 -1.850 19391 2766 1 8 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.450 -0.135 19391 2767 1 8 . 1 1 13 13 LEU C C 13 173.277 173.277 174.649 -1.372 19391 2768 1 8 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.779 0.378 19391 2769 1 8 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.493 -0.513 19391 2770 1 8 . 1 1 13 13 LEU H H 13 7.449 7.449 7.341 0.108 19391 2771 1 8 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.388 0.046 19391 2772 1 8 . 1 1 14 14 PRO C C 14 174.999 174.999 176.212 -1.213 19391 2773 1 8 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.775 -0.077 19391 2774 1 8 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.089 -0.278 19391 2775 1 8 . 1 1 15 15 GLN N N 15 120.091 120.091 120.007 0.084 19391 2776 1 8 . 1 1 15 15 GLN HA H 15 4.149 4.149 3.900 0.249 19391 2777 1 8 . 1 1 15 15 GLN C C 15 177.099 177.099 177.147 -0.048 19391 2778 1 8 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.074 1.259 19391 2779 1 8 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.177 0.679 19391 2780 1 8 . 1 1 15 15 GLN H H 15 8.368 8.368 8.443 -0.075 19391 2781 1 8 . 1 1 16 16 GLY N N 16 113.023 113.023 110.938 2.085 19391 2782 1 8 . 1 1 16 16 GLY C C 16 174.735 174.735 174.369 0.366 19391 2783 1 8 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.652 0.641 19391 2784 1 8 . 1 1 16 16 GLY H H 16 8.828 8.828 8.465 0.363 19391 2785 1 8 . 1 1 17 17 TRP N N 17 121.152 121.152 122.322 -1.170 19391 2786 1 8 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.162 -0.345 19391 2787 1 8 . 1 1 17 17 TRP C C 17 177.275 177.275 175.931 1.344 19391 2788 1 8 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.571 1.582 19391 2789 1 8 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.345 -0.055 19391 2790 1 8 . 1 1 17 17 TRP H H 17 8.006 8.006 8.039 -0.033 19391 2791 1 8 . 1 1 18 18 GLU N N 18 120.147 120.147 119.249 0.898 19391 2792 1 8 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.927 0.328 19391 2793 1 8 . 1 1 18 18 GLU C C 18 174.373 174.373 174.574 -0.201 19391 2794 1 8 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.569 -0.478 19391 2795 1 8 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.979 0.396 19391 2796 1 8 . 1 1 18 18 GLU H H 18 8.934 8.934 8.958 -0.024 19391 2797 1 8 . 1 1 19 19 ARG N N 19 122.215 122.215 119.488 2.727 19391 2798 1 8 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.163 -0.158 19391 2799 1 8 . 1 1 19 19 ARG C C 19 174.040 174.040 173.934 0.106 19391 2800 1 8 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.601 -0.235 19391 2801 1 8 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.172 0.718 19391 2802 1 8 . 1 1 19 19 ARG H H 19 9.300 9.300 8.344 0.956 19391 2803 1 8 . 1 1 20 20 GLU N N 20 127.885 127.885 118.982 8.903 19391 2804 1 8 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.659 0.626 19391 2805 1 8 . 1 1 20 20 GLU C C 20 173.582 173.582 174.012 -0.430 19391 2806 1 8 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.413 0.041 19391 2807 1 8 . 1 1 20 20 GLU CB C 20 36.572 36.572 32.676 3.896 19391 2808 1 8 . 1 1 20 20 GLU H H 20 9.460 9.460 8.387 1.073 19391 2809 1 8 . 1 1 21 21 GLU N N 21 123.590 123.590 121.745 1.845 19391 2810 1 8 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.556 0.761 19391 2811 1 8 . 1 1 21 21 GLU C C 21 176.091 176.091 175.268 0.823 19391 2812 1 8 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.574 -1.116 19391 2813 1 8 . 1 1 21 21 GLU CB C 21 32.852 32.852 31.876 0.976 19391 2814 1 8 . 1 1 21 21 GLU H H 21 8.580 8.580 8.234 0.346 19391 2815 1 8 . 1 1 22 22 VAL N N 22 123.718 123.718 122.921 0.797 19391 2816 1 8 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.548 0.220 19391 2817 1 8 . 1 1 22 22 VAL C C 22 169.573 169.573 173.528 -3.955 19391 2818 1 8 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.669 0.320 19391 2819 1 8 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.492 0.767 19391 2820 1 8 . 1 1 22 22 VAL H H 22 9.177 9.177 8.540 0.637 19391 2821 1 8 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.650 0.105 19391 2822 1 8 . 1 1 23 23 PRO C C 23 176.679 176.679 176.374 0.305 19391 2823 1 8 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.197 0.267 19391 2824 1 8 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.234 -0.136 19391 2825 1 8 . 1 1 24 24 ARG N N 24 123.629 123.629 123.323 0.306 19391 2826 1 8 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.265 0.223 19391 2827 1 8 . 1 1 24 24 ARG C C 24 177.926 177.926 177.562 0.364 19391 2828 1 8 . 1 1 24 24 ARG CA C 24 56.430 56.430 57.391 -0.961 19391 2829 1 8 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.896 0.092 19391 2830 1 8 . 1 1 24 24 ARG H H 24 8.726 8.726 8.098 0.628 19391 2831 1 8 . 1 1 25 25 ARG N N 25 124.327 124.327 120.669 3.658 19391 2832 1 8 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.440 -0.097 19391 2833 1 8 . 1 1 25 25 ARG C C 25 176.213 176.213 176.104 0.109 19391 2834 1 8 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.267 1.204 19391 2835 1 8 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.256 -0.048 19391 2836 1 8 . 1 1 25 25 ARG H H 25 9.070 9.070 8.607 0.463 19391 2837 1 8 . 1 1 26 26 SER N N 26 114.348 114.348 116.311 -1.963 19391 2838 1 8 . 1 1 26 26 SER HA H 26 4.652 4.652 4.702 -0.050 19391 2839 1 8 . 1 1 26 26 SER C C 26 173.704 173.704 173.867 -0.163 19391 2840 1 8 . 1 1 26 26 SER CA C 26 57.727 57.727 58.070 -0.343 19391 2841 1 8 . 1 1 26 26 SER CB C 26 65.099 65.099 63.333 1.766 19391 2842 1 8 . 1 1 26 26 SER H H 26 8.071 8.071 7.868 0.203 19391 2843 1 8 . 1 1 27 27 GLY N N 27 108.224 108.224 112.502 -4.278 19391 2844 1 8 . 1 1 27 27 GLY C C 27 175.321 175.321 174.836 0.485 19391 2845 1 8 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.171 -0.008 19391 2846 1 8 . 1 1 27 27 GLY H H 27 8.433 8.433 7.917 0.516 19391 2847 1 8 . 1 1 28 28 LEU N N 28 122.251 122.251 119.415 2.836 19391 2848 1 8 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.244 0.005 19391 2849 1 8 . 1 1 28 28 LEU C C 28 178.691 178.691 177.243 1.448 19391 2850 1 8 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.401 0.392 19391 2851 1 8 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.260 -0.077 19391 2852 1 8 . 1 1 28 28 LEU H H 28 8.752 8.752 8.470 0.282 19391 2853 1 8 . 1 1 29 29 SER N N 29 113.375 113.375 114.220 -0.845 19391 2854 1 8 . 1 1 29 29 SER HA H 29 4.440 4.440 4.492 -0.052 19391 2855 1 8 . 1 1 29 29 SER C C 29 173.707 173.707 174.336 -0.629 19391 2856 1 8 . 1 1 29 29 SER CA C 29 57.782 57.782 58.054 -0.272 19391 2857 1 8 . 1 1 29 29 SER CB C 29 63.353 63.353 62.899 0.454 19391 2858 1 8 . 1 1 29 29 SER H H 29 8.397 8.397 8.041 0.356 19391 2859 1 8 . 1 1 30 30 ALA N N 30 124.539 124.539 122.512 2.027 19391 2860 1 8 . 1 1 30 30 ALA HA H 30 3.912 3.912 3.908 0.004 19391 2861 1 8 . 1 1 30 30 ALA C C 30 178.198 178.198 178.499 -0.301 19391 2862 1 8 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.691 -0.115 19391 2863 1 8 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.991 -0.569 19391 2864 1 8 . 1 1 30 30 ALA H H 30 7.623 7.623 7.205 0.418 19391 2865 1 8 . 1 1 31 31 GLY N N 31 109.642 109.642 111.550 -1.908 19391 2866 1 8 . 1 1 31 31 GLY C C 31 174.534 174.534 174.311 0.223 19391 2867 1 8 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.965 0.277 19391 2868 1 8 . 1 1 31 31 GLY H H 31 8.713 8.713 8.777 -0.064 19391 2869 1 8 . 1 1 32 32 HIS N N 32 119.677 119.677 120.292 -0.615 19391 2870 1 8 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.834 -0.270 19391 2871 1 8 . 1 1 32 32 HIS C C 32 174.544 174.544 174.253 0.291 19391 2872 1 8 . 1 1 32 32 HIS CA C 32 56.416 56.416 55.054 1.362 19391 2873 1 8 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.003 -1.417 19391 2874 1 8 . 1 1 32 32 HIS H H 32 8.304 8.304 7.637 0.667 19391 2875 1 8 . 1 1 33 33 ARG N N 33 124.677 124.677 120.294 4.383 19391 2876 1 8 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.689 -0.084 19391 2877 1 8 . 1 1 33 33 ARG C C 33 174.869 174.869 174.952 -0.083 19391 2878 1 8 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.745 1.018 19391 2879 1 8 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.125 -0.925 19391 2880 1 8 . 1 1 33 33 ARG H H 33 8.731 8.731 8.512 0.219 19391 2881 1 8 . 1 1 34 34 ASP N N 34 124.378 124.378 122.615 1.763 19391 2882 1 8 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.822 0.053 19391 2883 1 8 . 1 1 34 34 ASP C C 34 174.057 174.057 174.453 -0.396 19391 2884 1 8 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.455 1.590 19391 2885 1 8 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.460 0.392 19391 2886 1 8 . 1 1 34 34 ASP H H 34 8.387 8.387 8.532 -0.145 19391 2887 1 8 . 1 1 35 35 VAL N N 35 121.095 121.095 121.700 -0.605 19391 2888 1 8 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.385 0.365 19391 2889 1 8 . 1 1 35 35 VAL C C 35 173.600 173.600 174.283 -0.683 19391 2890 1 8 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.585 0.772 19391 2891 1 8 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.126 0.952 19391 2892 1 8 . 1 1 35 35 VAL H H 35 8.023 8.023 8.262 -0.239 19391 2893 1 8 . 1 1 36 36 PHE N N 36 122.163 122.163 122.173 -0.010 19391 2894 1 8 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.773 0.825 19391 2895 1 8 . 1 1 36 36 PHE C C 36 174.164 174.164 173.918 0.246 19391 2896 1 8 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.187 -1.479 19391 2897 1 8 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.538 1.440 19391 2898 1 8 . 1 1 36 36 PHE H H 36 8.710 8.710 8.350 0.360 19391 2899 1 8 . 1 1 37 37 TYR N N 37 116.406 116.406 117.543 -1.137 19391 2900 1 8 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.841 0.846 19391 2901 1 8 . 1 1 37 37 TYR C C 37 174.694 174.694 174.023 0.671 19391 2902 1 8 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.964 0.900 19391 2903 1 8 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.716 2.761 19391 2904 1 8 . 1 1 37 37 TYR H H 37 8.552 8.552 8.132 0.420 19391 2905 1 8 . 1 1 38 38 TYR N N 38 118.594 118.594 120.183 -1.589 19391 2906 1 8 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.345 0.399 19391 2907 1 8 . 1 1 38 38 TYR C C 38 175.481 175.481 175.740 -0.259 19391 2908 1 8 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.296 -0.346 19391 2909 1 8 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.410 0.877 19391 2910 1 8 . 1 1 38 38 TYR H H 38 9.445 9.445 9.401 0.044 19391 2911 1 8 . 1 1 39 39 SER N N 39 118.327 118.327 118.952 -0.625 19391 2912 1 8 . 1 1 39 39 SER HA H 39 2.098 2.098 4.000 -1.902 19391 2913 1 8 . 1 1 39 39 SER C C 39 174.399 174.399 174.218 0.181 19391 2914 1 8 . 1 1 39 39 SER CA C 39 55.375 55.375 55.729 -0.354 19391 2915 1 8 . 1 1 39 39 SER CB C 39 62.873 62.873 62.040 0.833 19391 2916 1 8 . 1 1 39 39 SER H H 39 8.808 8.808 8.250 0.558 19391 2917 1 8 . 1 1 41 41 SER HA H 41 4.452 4.452 4.432 0.020 19391 2918 1 8 . 1 1 41 41 SER C C 41 174.963 174.963 175.546 -0.583 19391 2919 1 8 . 1 1 41 41 SER CA C 41 57.861 57.861 58.012 -0.151 19391 2920 1 8 . 1 1 41 41 SER CB C 41 63.763 63.763 63.560 0.203 19391 2921 1 8 . 1 1 42 42 GLY N N 42 111.741 111.741 110.854 0.887 19391 2922 1 8 . 1 1 42 42 GLY C C 42 173.938 173.938 174.024 -0.086 19391 2923 1 8 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.413 0.016 19391 2924 1 8 . 1 1 42 42 GLY H H 42 8.292 8.292 8.073 0.219 19391 2925 1 8 . 1 1 43 43 LYS N N 43 122.381 122.381 121.882 0.499 19391 2926 1 8 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.293 -0.202 19391 2927 1 8 . 1 1 43 43 LYS C C 43 174.049 174.049 175.985 -1.936 19391 2928 1 8 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.287 0.222 19391 2929 1 8 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.972 -0.182 19391 2930 1 8 . 1 1 43 43 LYS H H 43 7.361 7.361 7.580 -0.219 19391 2931 1 8 . 1 1 44 44 LYS N N 44 125.831 125.831 126.269 -0.438 19391 2932 1 8 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.277 -0.783 19391 2933 1 8 . 1 1 44 44 LYS C C 44 175.970 175.970 175.933 0.037 19391 2934 1 8 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.148 0.561 19391 2935 1 8 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.318 2.322 19391 2936 1 8 . 1 1 44 44 LYS H H 44 8.078 8.078 8.402 -0.324 19391 2937 1 8 . 1 1 45 45 PHE N N 45 124.636 124.636 120.425 4.211 19391 2938 1 8 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.019 -0.237 19391 2939 1 8 . 1 1 45 45 PHE C C 45 176.205 176.205 174.257 1.948 19391 2940 1 8 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.115 1.838 19391 2941 1 8 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.961 1.015 19391 2942 1 8 . 1 1 45 45 PHE H H 45 9.707 9.707 7.921 1.786 19391 2943 1 8 . 1 1 46 46 ARG N N 46 117.959 117.959 120.219 -2.260 19391 2944 1 8 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.802 0.598 19391 2945 1 8 . 1 1 46 46 ARG C C 46 175.059 175.059 174.456 0.603 19391 2946 1 8 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.627 -0.305 19391 2947 1 8 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.486 2.897 19391 2948 1 8 . 1 1 46 46 ARG H H 46 9.430 9.430 8.703 0.727 19391 2949 1 8 . 1 1 47 47 SER N N 47 115.115 115.115 116.071 -0.956 19391 2950 1 8 . 1 1 47 47 SER HA H 47 4.069 4.069 4.286 -0.217 19391 2951 1 8 . 1 1 47 47 SER C C 47 172.762 172.762 174.241 -1.479 19391 2952 1 8 . 1 1 47 47 SER CA C 47 56.797 56.797 57.266 -0.469 19391 2953 1 8 . 1 1 47 47 SER CB C 47 66.892 66.892 66.192 0.700 19391 2954 1 8 . 1 1 47 47 SER H H 47 7.926 7.926 7.942 -0.016 19391 2955 1 8 . 1 1 48 48 LYS N N 48 122.914 122.914 126.018 -3.104 19391 2956 1 8 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.438 -0.339 19391 2957 1 8 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.212 2.357 19391 2958 1 8 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.442 -0.192 19391 2959 1 8 . 1 1 48 48 LYS H H 48 8.994 8.994 8.591 0.403 19391 2960 1 8 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.252 0.132 19391 2961 1 8 . 1 1 49 49 PRO C C 49 179.505 179.505 179.089 0.416 19391 2962 1 8 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.997 0.265 19391 2963 1 8 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.364 -0.110 19391 2964 1 8 . 1 1 50 50 GLN N N 50 116.141 116.141 116.972 -0.831 19391 2965 1 8 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.195 -0.036 19391 2966 1 8 . 1 1 50 50 GLN C C 50 179.539 179.539 178.372 1.167 19391 2967 1 8 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.796 0.417 19391 2968 1 8 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.288 1.077 19391 2969 1 8 . 1 1 50 50 GLN H H 50 7.333 7.333 8.516 -1.183 19391 2970 1 8 . 1 1 51 51 LEU N N 51 122.318 122.318 121.125 1.193 19391 2971 1 8 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.057 -0.245 19391 2972 1 8 . 1 1 51 51 LEU C C 51 177.948 177.948 178.244 -0.296 19391 2973 1 8 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.782 0.362 19391 2974 1 8 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.986 1.465 19391 2975 1 8 . 1 1 51 51 LEU H H 51 7.957 7.957 7.714 0.243 19391 2976 1 8 . 1 1 52 52 ALA N N 52 120.627 120.627 121.096 -0.469 19391 2977 1 8 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.948 -0.038 19391 2978 1 8 . 1 1 52 52 ALA C C 52 181.360 181.360 179.673 1.687 19391 2979 1 8 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.141 -0.247 19391 2980 1 8 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.604 -0.418 19391 2981 1 8 . 1 1 52 52 ALA H H 52 9.134 9.134 8.699 0.435 19391 2982 1 8 . 1 1 53 53 ARG N N 53 118.087 118.087 117.608 0.479 19391 2983 1 8 . 1 1 53 53 ARG HA H 53 4.110 4.110 4.015 0.095 19391 2984 1 8 . 1 1 53 53 ARG C C 53 178.186 178.186 178.601 -0.415 19391 2985 1 8 . 1 1 53 53 ARG CA C 53 59.296 59.296 58.549 0.747 19391 2986 1 8 . 1 1 53 53 ARG CB C 53 30.555 30.555 29.936 0.619 19391 2987 1 8 . 1 1 53 53 ARG H H 53 8.095 8.095 8.083 0.012 19391 2988 1 8 . 1 1 54 54 TYR N N 54 119.692 119.692 119.380 0.312 19391 2989 1 8 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.249 0.128 19391 2990 1 8 . 1 1 54 54 TYR C C 54 177.809 177.809 177.112 0.697 19391 2991 1 8 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.190 0.152 19391 2992 1 8 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.904 1.496 19391 2993 1 8 . 1 1 54 54 TYR H H 54 7.584 7.584 7.768 -0.184 19391 2994 1 8 . 1 1 55 55 LEU N N 55 117.313 117.313 115.072 2.241 19391 2995 1 8 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.493 -0.338 19391 2996 1 8 . 1 1 55 55 LEU C C 55 178.784 178.784 178.307 0.477 19391 2997 1 8 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.076 1.712 19391 2998 1 8 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.627 1.156 19391 2999 1 8 . 1 1 55 55 LEU H H 55 8.279 8.279 7.701 0.578 19391 3000 1 8 . 1 1 56 56 GLY N N 56 108.526 108.526 108.497 0.029 19391 3001 1 8 . 1 1 56 56 GLY C C 56 174.749 174.749 174.844 -0.095 19391 3002 1 8 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.091 -0.340 19391 3003 1 8 . 1 1 56 56 GLY H H 56 7.911 7.911 8.263 -0.352 19391 3004 1 8 . 1 1 57 57 GLY N N 57 109.514 109.514 107.337 2.177 19391 3005 1 8 . 1 1 57 57 GLY C C 57 175.034 175.034 175.481 -0.447 19391 3006 1 8 . 1 1 57 57 GLY CA C 57 45.648 45.648 44.785 0.863 19391 3007 1 8 . 1 1 57 57 GLY H H 57 8.644 8.644 7.921 0.723 19391 3008 1 8 . 1 1 58 58 SER N N 58 114.666 114.666 115.441 -0.775 19391 3009 1 8 . 1 1 58 58 SER HA H 58 4.355 4.355 4.217 0.138 19391 3010 1 8 . 1 1 58 58 SER C C 58 173.748 173.748 174.689 -0.941 19391 3011 1 8 . 1 1 58 58 SER CA C 58 60.013 60.013 60.226 -0.213 19391 3012 1 8 . 1 1 58 58 SER CB C 58 64.173 64.173 63.627 0.546 19391 3013 1 8 . 1 1 58 58 SER H H 58 8.058 8.058 8.043 0.015 19391 3014 1 8 . 1 1 59 59 MET N N 59 118.467 118.467 117.802 0.665 19391 3015 1 8 . 1 1 59 59 MET HA H 59 4.475 4.475 4.501 -0.026 19391 3016 1 8 . 1 1 59 59 MET C C 59 172.909 172.909 173.327 -0.418 19391 3017 1 8 . 1 1 59 59 MET CA C 59 56.185 56.185 55.160 1.025 19391 3018 1 8 . 1 1 59 59 MET CB C 59 35.552 35.552 36.577 -1.025 19391 3019 1 8 . 1 1 59 59 MET H H 59 7.442 7.442 8.034 -0.592 19391 3020 1 8 . 1 1 60 60 ASP N N 60 121.779 121.779 121.286 0.493 19391 3021 1 8 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.716 -0.022 19391 3022 1 8 . 1 1 60 60 ASP C C 60 176.867 176.867 175.850 1.017 19391 3023 1 8 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.631 -0.350 19391 3024 1 8 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.717 0.263 19391 3025 1 8 . 1 1 60 60 ASP H H 60 8.401 8.401 8.563 -0.162 19391 3026 1 8 . 1 1 61 61 LEU N N 61 126.474 126.474 126.653 -0.179 19391 3027 1 8 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.628 -0.234 19391 3028 1 8 . 1 1 61 61 LEU C C 61 178.536 178.536 177.972 0.564 19391 3029 1 8 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.145 -0.106 19391 3030 1 8 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.904 -0.291 19391 3031 1 8 . 1 1 61 61 LEU H H 61 9.015 9.015 8.645 0.370 19391 3032 1 8 . 1 1 62 62 SER N N 62 120.014 120.014 117.008 3.006 19391 3033 1 8 . 1 1 62 62 SER HA H 62 4.125 4.125 4.182 -0.057 19391 3034 1 8 . 1 1 62 62 SER C C 62 176.669 176.669 175.480 1.189 19391 3035 1 8 . 1 1 62 62 SER CA C 62 63.345 63.345 61.337 2.008 19391 3036 1 8 . 1 1 62 62 SER CB C 62 62.553 62.553 63.463 -0.910 19391 3037 1 8 . 1 1 62 62 SER H H 62 8.871 8.871 8.553 0.318 19391 3038 1 8 . 1 1 63 63 THR N N 63 110.495 110.495 110.753 -0.258 19391 3039 1 8 . 1 1 63 63 THR HA H 63 4.510 4.510 4.386 0.124 19391 3040 1 8 . 1 1 63 63 THR C C 63 173.862 173.862 173.990 -0.128 19391 3041 1 8 . 1 1 63 63 THR CA C 63 61.006 61.006 61.652 -0.646 19391 3042 1 8 . 1 1 63 63 THR CB C 63 67.976 67.976 68.906 -0.930 19391 3043 1 8 . 1 1 63 63 THR H H 63 8.363 8.363 7.846 0.517 19391 3044 1 8 . 1 1 64 64 PHE N N 64 123.605 123.605 124.646 -1.041 19391 3045 1 8 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.628 -0.012 19391 3046 1 8 . 1 1 64 64 PHE C C 64 173.716 173.716 173.538 0.178 19391 3047 1 8 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.084 0.933 19391 3048 1 8 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.807 0.137 19391 3049 1 8 . 1 1 64 64 PHE H H 64 7.472 7.472 8.578 -1.106 19391 3050 1 8 . 1 1 65 65 ASP N N 65 129.564 129.564 129.176 0.388 19391 3051 1 8 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.492 0.035 19391 3052 1 8 . 1 1 65 65 ASP C C 65 173.973 173.973 175.184 -1.211 19391 3053 1 8 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.866 -1.053 19391 3054 1 8 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.586 0.362 19391 3055 1 8 . 1 1 65 65 ASP H H 65 8.574 8.574 8.323 0.251 19391 3056 1 8 . 1 1 66 66 PHE N N 66 128.221 128.221 126.317 1.904 19391 3057 1 8 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.180 -0.523 19391 3058 1 8 . 1 1 66 66 PHE C C 66 177.535 177.535 177.015 0.520 19391 3059 1 8 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.731 0.015 19391 3060 1 8 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.882 1.360 19391 3061 1 8 . 1 1 66 66 PHE H H 66 8.886 8.886 8.552 0.334 19391 3062 1 8 . 1 1 67 67 ARG N N 67 116.246 116.246 118.819 -2.573 19391 3063 1 8 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.005 0.756 19391 3064 1 8 . 1 1 67 67 ARG C C 67 178.024 178.024 177.226 0.798 19391 3065 1 8 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.943 0.718 19391 3066 1 8 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.378 0.351 19391 3067 1 8 . 1 1 67 67 ARG H H 67 8.804 8.804 8.719 0.085 19391 3068 1 8 . 1 1 68 68 THR N N 68 105.409 105.409 106.393 -0.984 19391 3069 1 8 . 1 1 68 68 THR HA H 68 4.199 4.199 4.207 -0.008 19391 3070 1 8 . 1 1 68 68 THR C C 68 176.417 176.417 174.601 1.816 19391 3071 1 8 . 1 1 68 68 THR CA C 68 62.233 62.233 61.598 0.635 19391 3072 1 8 . 1 1 68 68 THR CB C 68 71.221 71.221 69.657 1.564 19391 3073 1 8 . 1 1 68 68 THR H H 68 7.407 7.407 7.733 -0.326 19391 3074 1 8 . 1 1 69 69 GLY N N 69 113.199 113.199 110.752 2.447 19391 3075 1 8 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.687 1.527 19391 3076 1 8 . 1 1 69 69 GLY H H 69 8.344 8.344 7.728 0.616 19391 3077 1 8 . 1 1 70 70 LYS N N 70 116.533 116.533 118.655 -2.122 19391 3078 1 8 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.583 -0.185 19391 3079 1 8 . 1 1 70 70 LYS C C 70 175.022 175.022 174.978 0.044 19391 3080 1 8 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.975 0.638 19391 3081 1 8 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.596 -0.521 19391 3082 1 8 . 1 1 70 70 LYS H H 70 6.887 6.887 7.020 -0.133 19391 3083 1 8 . 1 1 71 71 MET N N 71 119.590 119.590 123.124 -3.534 19391 3084 1 8 . 1 1 71 71 MET HA H 71 4.770 4.770 4.834 -0.064 19391 3085 1 8 . 1 1 71 71 MET C C 71 175.810 175.810 174.929 0.881 19391 3086 1 8 . 1 1 71 71 MET CA C 71 54.296 54.296 55.859 -1.563 19391 3087 1 8 . 1 1 71 71 MET CB C 71 32.118 32.118 33.585 -1.467 19391 3088 1 8 . 1 1 71 71 MET H H 71 8.423 8.423 8.683 -0.260 19391 3089 1 9 . 1 1 2 2 SER HA H 2 4.500 4.500 4.073 0.427 19391 3090 1 9 . 1 1 2 2 SER C C 2 174.803 174.803 173.550 1.253 19391 3091 1 9 . 1 1 2 2 SER CA C 2 58.624 58.624 59.993 -1.369 19391 3092 1 9 . 1 1 2 2 SER CB C 2 63.986 63.986 63.317 0.669 19391 3093 1 9 . 1 1 3 3 MET N N 3 122.348 122.348 122.130 0.218 19391 3094 1 9 . 1 1 3 3 MET HA H 3 4.546 4.546 4.442 0.104 19391 3095 1 9 . 1 1 3 3 MET C C 3 175.969 175.969 176.227 -0.258 19391 3096 1 9 . 1 1 3 3 MET CA C 3 55.560 55.560 54.910 0.650 19391 3097 1 9 . 1 1 3 3 MET CB C 3 32.667 32.667 31.790 0.877 19391 3098 1 9 . 1 1 3 3 MET H H 3 8.636 8.636 7.845 0.791 19391 3099 1 9 . 1 1 4 4 GLU N N 4 121.792 121.792 123.614 -1.822 19391 3100 1 9 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.376 -0.073 19391 3101 1 9 . 1 1 4 4 GLU C C 4 175.884 175.884 175.910 -0.026 19391 3102 1 9 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.887 0.644 19391 3103 1 9 . 1 1 4 4 GLU CB C 4 30.594 30.594 29.813 0.781 19391 3104 1 9 . 1 1 4 4 GLU H H 4 8.337 8.337 8.632 -0.295 19391 3105 1 9 . 1 1 5 5 ARG N N 5 122.592 122.592 119.921 2.671 19391 3106 1 9 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.308 0.221 19391 3107 1 9 . 1 1 5 5 ARG C C 5 175.556 175.556 176.704 -1.148 19391 3108 1 9 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.849 0.158 19391 3109 1 9 . 1 1 5 5 ARG CB C 5 31.177 31.177 30.288 0.889 19391 3110 1 9 . 1 1 5 5 ARG H H 5 8.319 8.319 7.703 0.616 19391 3111 1 9 . 1 1 6 6 LYS N N 6 123.750 123.750 123.669 0.081 19391 3112 1 9 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.071 0.334 19391 3113 1 9 . 1 1 6 6 LYS C C 6 174.335 174.335 175.529 -1.194 19391 3114 1 9 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.712 -0.125 19391 3115 1 9 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.381 1.317 19391 3116 1 9 . 1 1 6 6 LYS H H 6 8.372 8.372 8.012 0.360 19391 3117 1 9 . 1 1 7 7 ARG N N 7 121.789 121.789 118.783 3.006 19391 3118 1 9 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.313 0.712 19391 3119 1 9 . 1 1 7 7 ARG C C 7 174.998 174.998 174.562 0.436 19391 3120 1 9 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.753 0.124 19391 3121 1 9 . 1 1 7 7 ARG CB C 7 33.085 33.085 32.978 0.107 19391 3122 1 9 . 1 1 7 7 ARG H H 7 7.894 7.894 7.554 0.340 19391 3123 1 9 . 1 1 8 8 TRP N N 8 122.774 122.774 124.306 -1.532 19391 3124 1 9 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.895 0.076 19391 3125 1 9 . 1 1 8 8 TRP C C 8 175.679 175.679 175.553 0.126 19391 3126 1 9 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.691 0.651 19391 3127 1 9 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.751 2.293 19391 3128 1 9 . 1 1 8 8 TRP H H 8 9.002 9.002 8.193 0.809 19391 3129 1 9 . 1 1 9 9 GLU N N 9 121.587 121.587 122.715 -1.128 19391 3130 1 9 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.846 -0.372 19391 3131 1 9 . 1 1 9 9 GLU C C 9 176.133 176.133 176.066 0.067 19391 3132 1 9 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.948 1.539 19391 3133 1 9 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.419 -1.165 19391 3134 1 9 . 1 1 9 9 GLU H H 9 8.879 8.879 8.925 -0.046 19391 3135 1 9 . 1 1 10 10 CYS N N 10 122.770 122.770 118.975 3.795 19391 3136 1 9 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.077 0.148 19391 3137 1 9 . 1 1 10 10 CYS C C 10 173.480 173.480 174.831 -1.351 19391 3138 1 9 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.170 0.881 19391 3139 1 9 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.934 -1.659 19391 3140 1 9 . 1 1 10 10 CYS H H 10 8.351 8.351 8.810 -0.459 19391 3141 1 9 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.507 0.137 19391 3142 1 9 . 1 1 11 11 PRO C C 11 176.160 176.160 177.049 -0.889 19391 3143 1 9 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.072 0.692 19391 3144 1 9 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.892 0.314 19391 3145 1 9 . 1 1 12 12 ALA N N 12 118.459 118.459 119.567 -1.108 19391 3146 1 9 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.346 -0.082 19391 3147 1 9 . 1 1 12 12 ALA C C 12 176.998 176.998 177.224 -0.226 19391 3148 1 9 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.458 0.716 19391 3149 1 9 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.159 1.037 19391 3150 1 9 . 1 1 12 12 ALA H H 12 7.635 7.635 8.118 -0.483 19391 3151 1 9 . 1 1 13 13 LEU N N 13 117.171 117.171 120.540 -3.369 19391 3152 1 9 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.678 -0.363 19391 3153 1 9 . 1 1 13 13 LEU C C 13 173.277 173.277 174.656 -1.379 19391 3154 1 9 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.072 0.085 19391 3155 1 9 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.628 -0.648 19391 3156 1 9 . 1 1 13 13 LEU H H 13 7.449 7.449 7.421 0.028 19391 3157 1 9 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.377 0.057 19391 3158 1 9 . 1 1 14 14 PRO C C 14 174.999 174.999 176.143 -1.144 19391 3159 1 9 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.906 -0.208 19391 3160 1 9 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.387 -0.576 19391 3161 1 9 . 1 1 15 15 GLN N N 15 120.091 120.091 121.097 -1.006 19391 3162 1 9 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.054 0.095 19391 3163 1 9 . 1 1 15 15 GLN C C 15 177.099 177.099 177.229 -0.130 19391 3164 1 9 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.556 0.777 19391 3165 1 9 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.277 0.579 19391 3166 1 9 . 1 1 15 15 GLN H H 15 8.368 8.368 8.615 -0.247 19391 3167 1 9 . 1 1 16 16 GLY N N 16 113.023 113.023 109.855 3.168 19391 3168 1 9 . 1 1 16 16 GLY C C 16 174.735 174.735 174.082 0.653 19391 3169 1 9 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.701 0.592 19391 3170 1 9 . 1 1 16 16 GLY H H 16 8.828 8.828 8.875 -0.047 19391 3171 1 9 . 1 1 17 17 TRP N N 17 121.152 121.152 123.067 -1.915 19391 3172 1 9 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.356 -0.539 19391 3173 1 9 . 1 1 17 17 TRP C C 17 177.275 177.275 175.429 1.846 19391 3174 1 9 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.216 1.937 19391 3175 1 9 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.375 -0.085 19391 3176 1 9 . 1 1 17 17 TRP H H 17 8.006 8.006 7.908 0.098 19391 3177 1 9 . 1 1 18 18 GLU N N 18 120.147 120.147 118.877 1.270 19391 3178 1 9 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.965 0.290 19391 3179 1 9 . 1 1 18 18 GLU C C 18 174.373 174.373 175.524 -1.151 19391 3180 1 9 . 1 1 18 18 GLU CA C 18 55.091 55.091 54.743 0.348 19391 3181 1 9 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.620 0.755 19391 3182 1 9 . 1 1 18 18 GLU H H 18 8.934 8.934 8.910 0.024 19391 3183 1 9 . 1 1 19 19 ARG N N 19 122.215 122.215 118.921 3.294 19391 3184 1 9 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.740 0.266 19391 3185 1 9 . 1 1 19 19 ARG C C 19 174.040 174.040 175.039 -0.999 19391 3186 1 9 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.145 0.221 19391 3187 1 9 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.752 1.138 19391 3188 1 9 . 1 1 19 19 ARG H H 19 9.300 9.300 8.288 1.012 19391 3189 1 9 . 1 1 20 20 GLU N N 20 127.885 127.885 120.284 7.601 19391 3190 1 9 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.624 0.661 19391 3191 1 9 . 1 1 20 20 GLU C C 20 173.582 173.582 174.153 -0.571 19391 3192 1 9 . 1 1 20 20 GLU CA C 20 54.454 54.454 55.109 -0.655 19391 3193 1 9 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.332 2.240 19391 3194 1 9 . 1 1 20 20 GLU H H 20 9.460 9.460 8.232 1.228 19391 3195 1 9 . 1 1 21 21 GLU N N 21 123.590 123.590 126.291 -2.701 19391 3196 1 9 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.748 0.570 19391 3197 1 9 . 1 1 21 21 GLU C C 21 176.091 176.091 175.013 1.078 19391 3198 1 9 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.579 -1.121 19391 3199 1 9 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.489 0.363 19391 3200 1 9 . 1 1 21 21 GLU H H 21 8.580 8.580 7.968 0.612 19391 3201 1 9 . 1 1 22 22 VAL N N 22 123.718 123.718 126.722 -3.004 19391 3202 1 9 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.687 0.081 19391 3203 1 9 . 1 1 22 22 VAL C C 22 169.573 169.573 173.579 -4.006 19391 3204 1 9 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.320 -0.331 19391 3205 1 9 . 1 1 22 22 VAL CB C 22 35.259 35.259 33.859 1.400 19391 3206 1 9 . 1 1 22 22 VAL H H 22 9.177 9.177 8.438 0.739 19391 3207 1 9 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.421 0.334 19391 3208 1 9 . 1 1 23 23 PRO C C 23 176.679 176.679 175.758 0.921 19391 3209 1 9 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.884 -0.420 19391 3210 1 9 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.864 0.234 19391 3211 1 9 . 1 1 24 24 ARG N N 24 123.629 123.629 124.239 -0.610 19391 3212 1 9 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.183 0.305 19391 3213 1 9 . 1 1 24 24 ARG C C 24 177.926 177.926 176.898 1.028 19391 3214 1 9 . 1 1 24 24 ARG CA C 24 56.430 56.430 57.689 -1.259 19391 3215 1 9 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.976 0.012 19391 3216 1 9 . 1 1 24 24 ARG H H 24 8.726 8.726 8.147 0.579 19391 3217 1 9 . 1 1 25 25 ARG N N 25 124.327 124.327 124.705 -0.378 19391 3218 1 9 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.505 -0.162 19391 3219 1 9 . 1 1 25 25 ARG C C 25 176.213 176.213 176.285 -0.072 19391 3220 1 9 . 1 1 25 25 ARG CA C 25 57.470 57.470 57.264 0.207 19391 3221 1 9 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.920 0.288 19391 3222 1 9 . 1 1 25 25 ARG H H 25 9.070 9.070 8.918 0.152 19391 3223 1 9 . 1 1 26 26 SER N N 26 114.348 114.348 114.505 -0.157 19391 3224 1 9 . 1 1 26 26 SER HA H 26 4.652 4.652 4.552 0.100 19391 3225 1 9 . 1 1 26 26 SER C C 26 173.704 173.704 174.414 -0.710 19391 3226 1 9 . 1 1 26 26 SER CA C 26 57.727 57.727 58.339 -0.612 19391 3227 1 9 . 1 1 26 26 SER CB C 26 65.099 65.099 64.228 0.870 19391 3228 1 9 . 1 1 26 26 SER H H 26 8.071 8.071 8.163 -0.092 19391 3229 1 9 . 1 1 27 27 GLY N N 27 108.224 108.224 110.175 -1.951 19391 3230 1 9 . 1 1 27 27 GLY C C 27 175.321 175.321 175.765 -0.444 19391 3231 1 9 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.431 0.732 19391 3232 1 9 . 1 1 27 27 GLY H H 27 8.433 8.433 7.824 0.609 19391 3233 1 9 . 1 1 28 28 LEU N N 28 122.251 122.251 121.844 0.407 19391 3234 1 9 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.178 0.071 19391 3235 1 9 . 1 1 28 28 LEU C C 28 178.691 178.691 177.839 0.852 19391 3236 1 9 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.913 -0.120 19391 3237 1 9 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.172 0.011 19391 3238 1 9 . 1 1 28 28 LEU H H 28 8.752 8.752 8.403 0.349 19391 3239 1 9 . 1 1 29 29 SER N N 29 113.375 113.375 114.171 -0.796 19391 3240 1 9 . 1 1 29 29 SER HA H 29 4.440 4.440 4.488 -0.048 19391 3241 1 9 . 1 1 29 29 SER C C 29 173.707 173.707 173.976 -0.269 19391 3242 1 9 . 1 1 29 29 SER CA C 29 57.782 57.782 57.543 0.239 19391 3243 1 9 . 1 1 29 29 SER CB C 29 63.353 63.353 62.699 0.654 19391 3244 1 9 . 1 1 29 29 SER H H 29 8.397 8.397 8.267 0.130 19391 3245 1 9 . 1 1 30 30 ALA N N 30 124.539 124.539 122.948 1.591 19391 3246 1 9 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.018 -0.106 19391 3247 1 9 . 1 1 30 30 ALA C C 30 178.198 178.198 178.187 0.011 19391 3248 1 9 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.905 -0.329 19391 3249 1 9 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.001 -0.579 19391 3250 1 9 . 1 1 30 30 ALA H H 30 7.623 7.623 7.363 0.260 19391 3251 1 9 . 1 1 31 31 GLY N N 31 109.642 109.642 111.777 -2.135 19391 3252 1 9 . 1 1 31 31 GLY C C 31 174.534 174.534 174.499 0.035 19391 3253 1 9 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.144 0.098 19391 3254 1 9 . 1 1 31 31 GLY H H 31 8.713 8.713 8.838 -0.125 19391 3255 1 9 . 1 1 32 32 HIS N N 32 119.677 119.677 121.505 -1.828 19391 3256 1 9 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.803 -0.239 19391 3257 1 9 . 1 1 32 32 HIS C C 32 174.544 174.544 174.307 0.237 19391 3258 1 9 . 1 1 32 32 HIS CA C 32 56.416 56.416 55.565 0.851 19391 3259 1 9 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.047 -1.461 19391 3260 1 9 . 1 1 32 32 HIS H H 32 8.304 8.304 7.966 0.338 19391 3261 1 9 . 1 1 33 33 ARG N N 33 124.677 124.677 120.624 4.053 19391 3262 1 9 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.702 -0.097 19391 3263 1 9 . 1 1 33 33 ARG C C 33 174.869 174.869 174.662 0.207 19391 3264 1 9 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.126 0.636 19391 3265 1 9 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.454 -1.254 19391 3266 1 9 . 1 1 33 33 ARG H H 33 8.731 8.731 8.505 0.226 19391 3267 1 9 . 1 1 34 34 ASP N N 34 124.378 124.378 123.911 0.467 19391 3268 1 9 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.922 -0.046 19391 3269 1 9 . 1 1 34 34 ASP C C 34 174.057 174.057 174.825 -0.768 19391 3270 1 9 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.390 0.655 19391 3271 1 9 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.192 0.660 19391 3272 1 9 . 1 1 34 34 ASP H H 34 8.387 8.387 8.347 0.040 19391 3273 1 9 . 1 1 35 35 VAL N N 35 121.095 121.095 121.108 -0.013 19391 3274 1 9 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.739 0.011 19391 3275 1 9 . 1 1 35 35 VAL C C 35 173.600 173.600 174.698 -1.098 19391 3276 1 9 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.476 0.881 19391 3277 1 9 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.036 1.042 19391 3278 1 9 . 1 1 35 35 VAL H H 35 8.023 8.023 8.398 -0.375 19391 3279 1 9 . 1 1 36 36 PHE N N 36 122.163 122.163 124.092 -1.929 19391 3280 1 9 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.721 0.877 19391 3281 1 9 . 1 1 36 36 PHE C C 36 174.164 174.164 173.865 0.299 19391 3282 1 9 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.430 -1.722 19391 3283 1 9 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.474 1.504 19391 3284 1 9 . 1 1 36 36 PHE H H 36 8.710 8.710 8.384 0.326 19391 3285 1 9 . 1 1 37 37 TYR N N 37 116.406 116.406 118.133 -1.727 19391 3286 1 9 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.727 0.960 19391 3287 1 9 . 1 1 37 37 TYR C C 37 174.694 174.694 174.292 0.402 19391 3288 1 9 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.707 1.157 19391 3289 1 9 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.540 2.937 19391 3290 1 9 . 1 1 37 37 TYR H H 37 8.552 8.552 8.129 0.423 19391 3291 1 9 . 1 1 38 38 TYR N N 38 118.594 118.594 119.945 -1.351 19391 3292 1 9 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.279 0.465 19391 3293 1 9 . 1 1 38 38 TYR C C 38 175.481 175.481 175.266 0.215 19391 3294 1 9 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.118 -0.168 19391 3295 1 9 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.739 0.548 19391 3296 1 9 . 1 1 38 38 TYR H H 38 9.445 9.445 8.865 0.580 19391 3297 1 9 . 1 1 39 39 SER N N 39 118.327 118.327 117.931 0.396 19391 3298 1 9 . 1 1 39 39 SER HA H 39 2.098 2.098 4.098 -2.000 19391 3299 1 9 . 1 1 39 39 SER C C 39 174.399 174.399 174.167 0.232 19391 3300 1 9 . 1 1 39 39 SER CA C 39 55.375 55.375 54.382 0.993 19391 3301 1 9 . 1 1 39 39 SER CB C 39 62.873 62.873 63.033 -0.160 19391 3302 1 9 . 1 1 39 39 SER H H 39 8.808 8.808 8.228 0.580 19391 3303 1 9 . 1 1 41 41 SER HA H 41 4.452 4.452 4.394 0.058 19391 3304 1 9 . 1 1 41 41 SER C C 41 174.963 174.963 175.590 -0.627 19391 3305 1 9 . 1 1 41 41 SER CA C 41 57.861 57.861 57.847 0.014 19391 3306 1 9 . 1 1 41 41 SER CB C 41 63.763 63.763 63.417 0.346 19391 3307 1 9 . 1 1 42 42 GLY N N 42 111.741 111.741 110.105 1.636 19391 3308 1 9 . 1 1 42 42 GLY C C 42 173.938 173.938 173.863 0.075 19391 3309 1 9 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.397 0.032 19391 3310 1 9 . 1 1 42 42 GLY H H 42 8.292 8.292 7.916 0.376 19391 3311 1 9 . 1 1 43 43 LYS N N 43 122.381 122.381 122.178 0.203 19391 3312 1 9 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.272 -0.181 19391 3313 1 9 . 1 1 43 43 LYS C C 43 174.049 174.049 175.956 -1.907 19391 3314 1 9 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.253 0.256 19391 3315 1 9 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.803 -0.013 19391 3316 1 9 . 1 1 43 43 LYS H H 43 7.361 7.361 7.544 -0.183 19391 3317 1 9 . 1 1 44 44 LYS N N 44 125.831 125.831 126.744 -0.913 19391 3318 1 9 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.219 -0.725 19391 3319 1 9 . 1 1 44 44 LYS C C 44 175.970 175.970 175.866 0.104 19391 3320 1 9 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.350 0.359 19391 3321 1 9 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.145 2.495 19391 3322 1 9 . 1 1 44 44 LYS H H 44 8.078 8.078 8.403 -0.326 19391 3323 1 9 . 1 1 45 45 PHE N N 45 124.636 124.636 120.476 4.160 19391 3324 1 9 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.032 -0.250 19391 3325 1 9 . 1 1 45 45 PHE C C 45 176.205 176.205 173.931 2.274 19391 3326 1 9 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.518 1.435 19391 3327 1 9 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.950 1.026 19391 3328 1 9 . 1 1 45 45 PHE H H 45 9.707 9.707 8.037 1.670 19391 3329 1 9 . 1 1 46 46 ARG N N 46 117.959 117.959 120.478 -2.519 19391 3330 1 9 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.643 0.757 19391 3331 1 9 . 1 1 46 46 ARG C C 46 175.059 175.059 174.719 0.340 19391 3332 1 9 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.793 -0.471 19391 3333 1 9 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.174 3.209 19391 3334 1 9 . 1 1 46 46 ARG H H 46 9.430 9.430 8.793 0.637 19391 3335 1 9 . 1 1 47 47 SER N N 47 115.115 115.115 117.254 -2.139 19391 3336 1 9 . 1 1 47 47 SER HA H 47 4.069 4.069 4.398 -0.329 19391 3337 1 9 . 1 1 47 47 SER C C 47 172.762 172.762 173.917 -1.155 19391 3338 1 9 . 1 1 47 47 SER CA C 47 56.797 56.797 57.476 -0.679 19391 3339 1 9 . 1 1 47 47 SER CB C 47 66.892 66.892 66.760 0.133 19391 3340 1 9 . 1 1 47 47 SER H H 47 7.926 7.926 8.069 -0.143 19391 3341 1 9 . 1 1 48 48 LYS N N 48 122.914 122.914 123.483 -0.569 19391 3342 1 9 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.117 -0.018 19391 3343 1 9 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.370 1.200 19391 3344 1 9 . 1 1 48 48 LYS CB C 48 30.250 30.250 31.026 -0.776 19391 3345 1 9 . 1 1 48 48 LYS H H 48 8.994 8.994 8.493 0.501 19391 3346 1 9 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.242 0.142 19391 3347 1 9 . 1 1 49 49 PRO C C 49 179.505 179.505 179.062 0.443 19391 3348 1 9 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.941 0.322 19391 3349 1 9 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.144 0.110 19391 3350 1 9 . 1 1 50 50 GLN N N 50 116.141 116.141 116.143 -0.002 19391 3351 1 9 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.166 -0.007 19391 3352 1 9 . 1 1 50 50 GLN C C 50 179.539 179.539 178.623 0.916 19391 3353 1 9 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.725 0.488 19391 3354 1 9 . 1 1 50 50 GLN CB C 50 29.365 29.365 27.801 1.564 19391 3355 1 9 . 1 1 50 50 GLN H H 50 7.333 7.333 8.551 -1.218 19391 3356 1 9 . 1 1 51 51 LEU N N 51 122.318 122.318 121.482 0.836 19391 3357 1 9 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.780 0.032 19391 3358 1 9 . 1 1 51 51 LEU C C 51 177.948 177.948 178.159 -0.211 19391 3359 1 9 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.716 0.428 19391 3360 1 9 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.394 2.058 19391 3361 1 9 . 1 1 51 51 LEU H H 51 7.957 7.957 7.671 0.286 19391 3362 1 9 . 1 1 52 52 ALA N N 52 120.627 120.627 121.657 -1.030 19391 3363 1 9 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.898 0.012 19391 3364 1 9 . 1 1 52 52 ALA C C 52 181.360 181.360 179.287 2.073 19391 3365 1 9 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.145 -0.251 19391 3366 1 9 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.478 -0.292 19391 3367 1 9 . 1 1 52 52 ALA H H 52 9.134 9.134 8.487 0.647 19391 3368 1 9 . 1 1 53 53 ARG N N 53 118.087 118.087 119.398 -1.311 19391 3369 1 9 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.970 0.140 19391 3370 1 9 . 1 1 53 53 ARG C C 53 178.186 178.186 178.315 -0.129 19391 3371 1 9 . 1 1 53 53 ARG CA C 53 59.296 59.296 58.420 0.876 19391 3372 1 9 . 1 1 53 53 ARG CB C 53 30.555 30.555 29.728 0.827 19391 3373 1 9 . 1 1 53 53 ARG H H 53 8.095 8.095 8.130 -0.035 19391 3374 1 9 . 1 1 54 54 TYR N N 54 119.692 119.692 119.540 0.152 19391 3375 1 9 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.256 0.121 19391 3376 1 9 . 1 1 54 54 TYR C C 54 177.809 177.809 177.348 0.461 19391 3377 1 9 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.319 0.023 19391 3378 1 9 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.832 1.567 19391 3379 1 9 . 1 1 54 54 TYR H H 54 7.584 7.584 7.977 -0.393 19391 3380 1 9 . 1 1 55 55 LEU N N 55 117.313 117.313 116.319 0.994 19391 3381 1 9 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.585 -0.430 19391 3382 1 9 . 1 1 55 55 LEU C C 55 178.784 178.784 178.285 0.499 19391 3383 1 9 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.439 1.349 19391 3384 1 9 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.868 0.915 19391 3385 1 9 . 1 1 55 55 LEU H H 55 8.279 8.279 7.987 0.292 19391 3386 1 9 . 1 1 56 56 GLY N N 56 108.526 108.526 109.711 -1.185 19391 3387 1 9 . 1 1 56 56 GLY C C 56 174.749 174.749 176.148 -1.399 19391 3388 1 9 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.546 -0.795 19391 3389 1 9 . 1 1 56 56 GLY H H 56 7.911 7.911 8.465 -0.554 19391 3390 1 9 . 1 1 57 57 GLY N N 57 109.514 109.514 107.850 1.664 19391 3391 1 9 . 1 1 57 57 GLY C C 57 175.034 175.034 174.955 0.079 19391 3392 1 9 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.939 -0.291 19391 3393 1 9 . 1 1 57 57 GLY H H 57 8.644 8.644 8.622 0.022 19391 3394 1 9 . 1 1 58 58 SER N N 58 114.666 114.666 115.703 -1.037 19391 3395 1 9 . 1 1 58 58 SER HA H 58 4.355 4.355 4.654 -0.299 19391 3396 1 9 . 1 1 58 58 SER C C 58 173.748 173.748 174.169 -0.421 19391 3397 1 9 . 1 1 58 58 SER CA C 58 60.013 60.013 59.317 0.696 19391 3398 1 9 . 1 1 58 58 SER CB C 58 64.173 64.173 64.600 -0.427 19391 3399 1 9 . 1 1 58 58 SER H H 58 8.058 8.058 8.186 -0.128 19391 3400 1 9 . 1 1 59 59 MET N N 59 118.467 118.467 116.579 1.888 19391 3401 1 9 . 1 1 59 59 MET HA H 59 4.475 4.475 4.486 -0.011 19391 3402 1 9 . 1 1 59 59 MET C C 59 172.909 172.909 173.596 -0.687 19391 3403 1 9 . 1 1 59 59 MET CA C 59 56.185 56.185 55.766 0.419 19391 3404 1 9 . 1 1 59 59 MET CB C 59 35.552 35.552 33.966 1.586 19391 3405 1 9 . 1 1 59 59 MET H H 59 7.442 7.442 7.965 -0.523 19391 3406 1 9 . 1 1 60 60 ASP N N 60 121.779 121.779 121.728 0.051 19391 3407 1 9 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.721 -0.027 19391 3408 1 9 . 1 1 60 60 ASP C C 60 176.867 176.867 175.818 1.049 19391 3409 1 9 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.998 -0.717 19391 3410 1 9 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.188 0.792 19391 3411 1 9 . 1 1 60 60 ASP H H 60 8.401 8.401 8.491 -0.090 19391 3412 1 9 . 1 1 61 61 LEU N N 61 126.474 126.474 127.170 -0.696 19391 3413 1 9 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.507 -0.113 19391 3414 1 9 . 1 1 61 61 LEU C C 61 178.536 178.536 177.591 0.945 19391 3415 1 9 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.363 -0.324 19391 3416 1 9 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.186 -0.573 19391 3417 1 9 . 1 1 61 61 LEU H H 61 9.015 9.015 8.669 0.346 19391 3418 1 9 . 1 1 62 62 SER N N 62 120.014 120.014 117.433 2.581 19391 3419 1 9 . 1 1 62 62 SER HA H 62 4.125 4.125 4.167 -0.042 19391 3420 1 9 . 1 1 62 62 SER C C 62 176.669 176.669 175.717 0.952 19391 3421 1 9 . 1 1 62 62 SER CA C 62 63.345 63.345 61.594 1.751 19391 3422 1 9 . 1 1 62 62 SER CB C 62 62.553 62.553 63.304 -0.751 19391 3423 1 9 . 1 1 62 62 SER H H 62 8.871 8.871 8.961 -0.090 19391 3424 1 9 . 1 1 63 63 THR N N 63 110.495 110.495 113.674 -3.179 19391 3425 1 9 . 1 1 63 63 THR HA H 63 4.510 4.510 4.445 0.065 19391 3426 1 9 . 1 1 63 63 THR C C 63 173.862 173.862 173.040 0.822 19391 3427 1 9 . 1 1 63 63 THR CA C 63 61.006 61.006 61.458 -0.452 19391 3428 1 9 . 1 1 63 63 THR CB C 63 67.976 67.976 67.783 0.193 19391 3429 1 9 . 1 1 63 63 THR H H 63 8.363 8.363 8.002 0.361 19391 3430 1 9 . 1 1 64 64 PHE N N 64 123.605 123.605 123.522 0.083 19391 3431 1 9 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.791 -0.175 19391 3432 1 9 . 1 1 64 64 PHE C C 64 173.716 173.716 172.939 0.777 19391 3433 1 9 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.255 1.762 19391 3434 1 9 . 1 1 64 64 PHE CB C 64 40.944 40.944 42.272 -1.328 19391 3435 1 9 . 1 1 64 64 PHE H H 64 7.472 7.472 8.161 -0.689 19391 3436 1 9 . 1 1 65 65 ASP N N 65 129.564 129.564 128.693 0.871 19391 3437 1 9 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.657 -0.130 19391 3438 1 9 . 1 1 65 65 ASP C C 65 173.973 173.973 174.830 -0.857 19391 3439 1 9 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.873 -0.061 19391 3440 1 9 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.864 1.084 19391 3441 1 9 . 1 1 65 65 ASP H H 65 8.574 8.574 8.254 0.320 19391 3442 1 9 . 1 1 66 66 PHE N N 66 128.221 128.221 126.116 2.105 19391 3443 1 9 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.209 -0.552 19391 3444 1 9 . 1 1 66 66 PHE C C 66 177.535 177.535 176.621 0.914 19391 3445 1 9 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.637 0.109 19391 3446 1 9 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.863 1.379 19391 3447 1 9 . 1 1 66 66 PHE H H 66 8.886 8.886 8.146 0.740 19391 3448 1 9 . 1 1 67 67 ARG N N 67 116.246 116.246 116.604 -0.358 19391 3449 1 9 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.138 0.623 19391 3450 1 9 . 1 1 67 67 ARG C C 67 178.024 178.024 177.538 0.486 19391 3451 1 9 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.742 0.919 19391 3452 1 9 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.334 0.395 19391 3453 1 9 . 1 1 67 67 ARG H H 67 8.804 8.804 8.681 0.123 19391 3454 1 9 . 1 1 68 68 THR N N 68 105.409 105.409 106.520 -1.111 19391 3455 1 9 . 1 1 68 68 THR HA H 68 4.199 4.199 4.236 -0.037 19391 3456 1 9 . 1 1 68 68 THR C C 68 176.417 176.417 175.522 0.895 19391 3457 1 9 . 1 1 68 68 THR CA C 68 62.233 62.233 61.809 0.423 19391 3458 1 9 . 1 1 68 68 THR CB C 68 71.221 71.221 69.166 2.055 19391 3459 1 9 . 1 1 68 68 THR H H 68 7.407 7.407 7.472 -0.065 19391 3460 1 9 . 1 1 69 69 GLY N N 69 113.199 113.199 111.087 2.112 19391 3461 1 9 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.631 1.583 19391 3462 1 9 . 1 1 69 69 GLY H H 69 8.344 8.344 7.709 0.635 19391 3463 1 9 . 1 1 70 70 LYS N N 70 116.533 116.533 117.897 -1.364 19391 3464 1 9 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.712 -0.314 19391 3465 1 9 . 1 1 70 70 LYS C C 70 175.022 175.022 174.427 0.595 19391 3466 1 9 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.839 0.774 19391 3467 1 9 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.220 -1.145 19391 3468 1 9 . 1 1 70 70 LYS H H 70 6.887 6.887 7.385 -0.498 19391 3469 1 9 . 1 1 71 71 MET N N 71 119.590 119.590 122.424 -2.834 19391 3470 1 9 . 1 1 71 71 MET HA H 71 4.770 4.770 4.560 0.210 19391 3471 1 9 . 1 1 71 71 MET C C 71 175.810 175.810 175.892 -0.082 19391 3472 1 9 . 1 1 71 71 MET CA C 71 54.296 54.296 55.524 -1.228 19391 3473 1 9 . 1 1 71 71 MET CB C 71 32.118 32.118 33.442 -1.324 19391 3474 1 9 . 1 1 71 71 MET H H 71 8.423 8.423 8.502 -0.079 19391 3475 1 10 . 1 1 2 2 SER HA H 2 4.500 4.500 4.766 -0.266 19391 3476 1 10 . 1 1 2 2 SER C C 2 174.803 174.803 174.958 -0.155 19391 3477 1 10 . 1 1 2 2 SER CA C 2 58.624 58.624 58.091 0.533 19391 3478 1 10 . 1 1 2 2 SER CB C 2 63.986 63.986 64.584 -0.598 19391 3479 1 10 . 1 1 3 3 MET N N 3 122.348 122.348 119.966 2.382 19391 3480 1 10 . 1 1 3 3 MET HA H 3 4.546 4.546 4.190 0.356 19391 3481 1 10 . 1 1 3 3 MET C C 3 175.969 175.969 174.804 1.165 19391 3482 1 10 . 1 1 3 3 MET CA C 3 55.560 55.560 56.147 -0.586 19391 3483 1 10 . 1 1 3 3 MET CB C 3 32.667 32.667 31.741 0.926 19391 3484 1 10 . 1 1 3 3 MET H H 3 8.636 8.636 8.571 0.065 19391 3485 1 10 . 1 1 4 4 GLU N N 4 121.792 121.792 119.868 1.924 19391 3486 1 10 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.437 -0.134 19391 3487 1 10 . 1 1 4 4 GLU C C 4 175.884 175.884 175.636 0.248 19391 3488 1 10 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.834 0.697 19391 3489 1 10 . 1 1 4 4 GLU CB C 4 30.594 30.594 29.868 0.726 19391 3490 1 10 . 1 1 4 4 GLU H H 4 8.337 8.337 8.357 -0.020 19391 3491 1 10 . 1 1 5 5 ARG N N 5 122.592 122.592 123.395 -0.803 19391 3492 1 10 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.688 -0.159 19391 3493 1 10 . 1 1 5 5 ARG C C 5 175.556 175.556 175.751 -0.195 19391 3494 1 10 . 1 1 5 5 ARG CA C 5 56.007 56.007 54.930 1.077 19391 3495 1 10 . 1 1 5 5 ARG CB C 5 31.177 31.177 32.703 -1.526 19391 3496 1 10 . 1 1 5 5 ARG H H 5 8.319 8.319 8.412 -0.093 19391 3497 1 10 . 1 1 6 6 LYS N N 6 123.750 123.750 125.660 -1.910 19391 3498 1 10 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.204 0.201 19391 3499 1 10 . 1 1 6 6 LYS C C 6 174.335 174.335 175.386 -1.051 19391 3500 1 10 . 1 1 6 6 LYS CA C 6 55.587 55.587 53.836 1.751 19391 3501 1 10 . 1 1 6 6 LYS CB C 6 34.698 34.698 31.287 3.411 19391 3502 1 10 . 1 1 6 6 LYS H H 6 8.372 8.372 8.092 0.280 19391 3503 1 10 . 1 1 7 7 ARG N N 7 121.789 121.789 123.444 -1.655 19391 3504 1 10 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.729 0.296 19391 3505 1 10 . 1 1 7 7 ARG C C 7 174.998 174.998 175.592 -0.594 19391 3506 1 10 . 1 1 7 7 ARG CA C 7 54.877 54.877 56.259 -1.382 19391 3507 1 10 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.461 1.624 19391 3508 1 10 . 1 1 7 7 ARG H H 7 7.894 7.894 8.002 -0.108 19391 3509 1 10 . 1 1 8 8 TRP N N 8 122.774 122.774 118.399 4.375 19391 3510 1 10 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.781 0.190 19391 3511 1 10 . 1 1 8 8 TRP C C 8 175.679 175.679 174.587 1.092 19391 3512 1 10 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.862 -0.520 19391 3513 1 10 . 1 1 8 8 TRP CB C 8 33.044 33.044 33.522 -0.478 19391 3514 1 10 . 1 1 8 8 TRP H H 8 9.002 9.002 8.892 0.110 19391 3515 1 10 . 1 1 9 9 GLU N N 9 121.587 121.587 121.889 -0.302 19391 3516 1 10 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.807 -0.333 19391 3517 1 10 . 1 1 9 9 GLU C C 9 176.133 176.133 175.309 0.824 19391 3518 1 10 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.349 2.138 19391 3519 1 10 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.831 -1.577 19391 3520 1 10 . 1 1 9 9 GLU H H 9 8.879 8.879 8.645 0.234 19391 3521 1 10 . 1 1 10 10 CYS N N 10 122.770 122.770 122.940 -0.170 19391 3522 1 10 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.055 0.170 19391 3523 1 10 . 1 1 10 10 CYS C C 10 173.480 173.480 174.330 -0.850 19391 3524 1 10 . 1 1 10 10 CYS CA C 10 56.051 56.051 54.752 1.299 19391 3525 1 10 . 1 1 10 10 CYS CB C 10 28.275 28.275 30.448 -2.172 19391 3526 1 10 . 1 1 10 10 CYS H H 10 8.351 8.351 8.806 -0.455 19391 3527 1 10 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.276 0.368 19391 3528 1 10 . 1 1 11 11 PRO C C 11 176.160 176.160 176.501 -0.341 19391 3529 1 10 . 1 1 11 11 PRO CA C 11 64.764 64.764 65.010 -0.246 19391 3530 1 10 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.800 0.405 19391 3531 1 10 . 1 1 12 12 ALA N N 12 118.459 118.459 117.415 1.044 19391 3532 1 10 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.229 0.035 19391 3533 1 10 . 1 1 12 12 ALA C C 12 176.998 176.998 177.415 -0.417 19391 3534 1 10 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.286 0.888 19391 3535 1 10 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.281 0.915 19391 3536 1 10 . 1 1 12 12 ALA H H 12 7.635 7.635 7.590 0.045 19391 3537 1 10 . 1 1 13 13 LEU N N 13 117.171 117.171 122.012 -4.841 19391 3538 1 10 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.442 -0.127 19391 3539 1 10 . 1 1 13 13 LEU C C 13 173.277 173.277 174.531 -1.254 19391 3540 1 10 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.587 -0.430 19391 3541 1 10 . 1 1 13 13 LEU CB C 13 40.980 40.980 42.309 -1.329 19391 3542 1 10 . 1 1 13 13 LEU H H 13 7.449 7.449 7.744 -0.295 19391 3543 1 10 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.371 0.063 19391 3544 1 10 . 1 1 14 14 PRO C C 14 174.999 174.999 176.617 -1.618 19391 3545 1 10 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.643 0.055 19391 3546 1 10 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.055 -0.244 19391 3547 1 10 . 1 1 15 15 GLN N N 15 120.091 120.091 122.894 -2.803 19391 3548 1 10 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.072 0.077 19391 3549 1 10 . 1 1 15 15 GLN C C 15 177.099 177.099 176.275 0.824 19391 3550 1 10 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.681 0.652 19391 3551 1 10 . 1 1 15 15 GLN CB C 15 28.856 28.856 27.173 1.683 19391 3552 1 10 . 1 1 15 15 GLN H H 15 8.368 8.368 8.736 -0.368 19391 3553 1 10 . 1 1 16 16 GLY N N 16 113.023 113.023 110.948 2.075 19391 3554 1 10 . 1 1 16 16 GLY C C 16 174.735 174.735 174.576 0.159 19391 3555 1 10 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.444 0.849 19391 3556 1 10 . 1 1 16 16 GLY H H 16 8.828 8.828 8.826 0.002 19391 3557 1 10 . 1 1 17 17 TRP N N 17 121.152 121.152 122.765 -1.613 19391 3558 1 10 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.072 -0.255 19391 3559 1 10 . 1 1 17 17 TRP C C 17 177.275 177.275 176.670 0.605 19391 3560 1 10 . 1 1 17 17 TRP CA C 17 59.153 59.153 58.006 1.147 19391 3561 1 10 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.011 0.279 19391 3562 1 10 . 1 1 17 17 TRP H H 17 8.006 8.006 8.587 -0.581 19391 3563 1 10 . 1 1 18 18 GLU N N 18 120.147 120.147 121.861 -1.714 19391 3564 1 10 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.816 0.439 19391 3565 1 10 . 1 1 18 18 GLU C C 18 174.373 174.373 174.754 -0.381 19391 3566 1 10 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.213 -0.122 19391 3567 1 10 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.471 0.904 19391 3568 1 10 . 1 1 18 18 GLU H H 18 8.934 8.934 8.881 0.053 19391 3569 1 10 . 1 1 19 19 ARG N N 19 122.215 122.215 122.626 -0.411 19391 3570 1 10 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.895 0.111 19391 3571 1 10 . 1 1 19 19 ARG C C 19 174.040 174.040 173.761 0.279 19391 3572 1 10 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.383 -0.016 19391 3573 1 10 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.238 0.652 19391 3574 1 10 . 1 1 19 19 ARG H H 19 9.300 9.300 8.445 0.855 19391 3575 1 10 . 1 1 20 20 GLU N N 20 127.885 127.885 121.669 6.216 19391 3576 1 10 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.198 0.087 19391 3577 1 10 . 1 1 20 20 GLU C C 20 173.582 173.582 173.974 -0.392 19391 3578 1 10 . 1 1 20 20 GLU CA C 20 54.454 54.454 55.051 -0.597 19391 3579 1 10 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.003 2.569 19391 3580 1 10 . 1 1 20 20 GLU H H 20 9.460 9.460 8.404 1.056 19391 3581 1 10 . 1 1 21 21 GLU N N 21 123.590 123.590 124.207 -0.617 19391 3582 1 10 . 1 1 21 21 GLU HA H 21 5.318 5.318 5.077 0.241 19391 3583 1 10 . 1 1 21 21 GLU C C 21 176.091 176.091 175.006 1.085 19391 3584 1 10 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.429 -0.971 19391 3585 1 10 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.402 0.450 19391 3586 1 10 . 1 1 21 21 GLU H H 21 8.580 8.580 8.339 0.241 19391 3587 1 10 . 1 1 22 22 VAL N N 22 123.718 123.718 125.855 -2.137 19391 3588 1 10 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.675 0.093 19391 3589 1 10 . 1 1 22 22 VAL C C 22 169.573 169.573 173.956 -4.383 19391 3590 1 10 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.687 0.302 19391 3591 1 10 . 1 1 22 22 VAL CB C 22 35.259 35.259 32.977 2.282 19391 3592 1 10 . 1 1 22 22 VAL H H 22 9.177 9.177 9.155 0.022 19391 3593 1 10 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.377 0.378 19391 3594 1 10 . 1 1 23 23 PRO C C 23 176.679 176.679 176.422 0.257 19391 3595 1 10 . 1 1 23 23 PRO CA C 23 62.464 62.464 63.184 -0.720 19391 3596 1 10 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.780 0.318 19391 3597 1 10 . 1 1 24 24 ARG N N 24 123.629 123.629 123.314 0.315 19391 3598 1 10 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.181 0.307 19391 3599 1 10 . 1 1 24 24 ARG C C 24 177.926 177.926 177.368 0.558 19391 3600 1 10 . 1 1 24 24 ARG CA C 24 56.430 56.430 57.643 -1.213 19391 3601 1 10 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.911 0.077 19391 3602 1 10 . 1 1 24 24 ARG H H 24 8.726 8.726 8.065 0.661 19391 3603 1 10 . 1 1 25 25 ARG N N 25 124.327 124.327 122.288 2.039 19391 3604 1 10 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.503 -0.160 19391 3605 1 10 . 1 1 25 25 ARG C C 25 176.213 176.213 177.330 -1.117 19391 3606 1 10 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.860 1.610 19391 3607 1 10 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.492 0.716 19391 3608 1 10 . 1 1 25 25 ARG H H 25 9.070 9.070 8.891 0.179 19391 3609 1 10 . 1 1 26 26 SER N N 26 114.348 114.348 116.453 -2.105 19391 3610 1 10 . 1 1 26 26 SER HA H 26 4.652 4.652 4.239 0.413 19391 3611 1 10 . 1 1 26 26 SER C C 26 173.704 173.704 175.415 -1.711 19391 3612 1 10 . 1 1 26 26 SER CA C 26 57.727 57.727 60.981 -3.254 19391 3613 1 10 . 1 1 26 26 SER CB C 26 65.099 65.099 63.758 1.341 19391 3614 1 10 . 1 1 26 26 SER H H 26 8.071 8.071 7.983 0.088 19391 3615 1 10 . 1 1 27 27 GLY N N 27 108.224 108.224 107.254 0.970 19391 3616 1 10 . 1 1 27 27 GLY C C 27 175.321 175.321 173.922 1.399 19391 3617 1 10 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.272 -0.109 19391 3618 1 10 . 1 1 27 27 GLY H H 27 8.433 8.433 8.021 0.412 19391 3619 1 10 . 1 1 28 28 LEU N N 28 122.251 122.251 122.031 0.220 19391 3620 1 10 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.193 0.056 19391 3621 1 10 . 1 1 28 28 LEU C C 28 178.691 178.691 177.668 1.023 19391 3622 1 10 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.233 0.560 19391 3623 1 10 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.292 -0.109 19391 3624 1 10 . 1 1 28 28 LEU H H 28 8.752 8.752 8.462 0.290 19391 3625 1 10 . 1 1 29 29 SER N N 29 113.375 113.375 114.264 -0.889 19391 3626 1 10 . 1 1 29 29 SER HA H 29 4.440 4.440 4.311 0.129 19391 3627 1 10 . 1 1 29 29 SER C C 29 173.707 173.707 173.790 -0.083 19391 3628 1 10 . 1 1 29 29 SER CA C 29 57.782 57.782 59.260 -1.478 19391 3629 1 10 . 1 1 29 29 SER CB C 29 63.353 63.353 63.381 -0.028 19391 3630 1 10 . 1 1 29 29 SER H H 29 8.397 8.397 8.260 0.137 19391 3631 1 10 . 1 1 30 30 ALA N N 30 124.539 124.539 122.593 1.946 19391 3632 1 10 . 1 1 30 30 ALA HA H 30 3.912 3.912 3.976 -0.064 19391 3633 1 10 . 1 1 30 30 ALA C C 30 178.198 178.198 178.344 -0.146 19391 3634 1 10 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.770 -0.194 19391 3635 1 10 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.439 -0.016 19391 3636 1 10 . 1 1 30 30 ALA H H 30 7.623 7.623 7.493 0.130 19391 3637 1 10 . 1 1 31 31 GLY N N 31 109.642 109.642 112.640 -2.998 19391 3638 1 10 . 1 1 31 31 GLY C C 31 174.534 174.534 174.642 -0.108 19391 3639 1 10 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.720 0.522 19391 3640 1 10 . 1 1 31 31 GLY H H 31 8.713 8.713 8.509 0.204 19391 3641 1 10 . 1 1 32 32 HIS N N 32 119.677 119.677 124.280 -4.603 19391 3642 1 10 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.335 0.229 19391 3643 1 10 . 1 1 32 32 HIS C C 32 174.544 174.544 175.555 -1.011 19391 3644 1 10 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.291 0.125 19391 3645 1 10 . 1 1 32 32 HIS CB C 32 29.586 29.586 28.557 1.029 19391 3646 1 10 . 1 1 32 32 HIS H H 32 8.304 8.304 7.715 0.589 19391 3647 1 10 . 1 1 33 33 ARG N N 33 124.677 124.677 125.244 -0.567 19391 3648 1 10 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.176 0.429 19391 3649 1 10 . 1 1 33 33 ARG C C 33 174.869 174.869 175.154 -0.285 19391 3650 1 10 . 1 1 33 33 ARG CA C 33 55.762 55.762 57.281 -1.519 19391 3651 1 10 . 1 1 33 33 ARG CB C 33 31.200 31.200 30.770 0.430 19391 3652 1 10 . 1 1 33 33 ARG H H 33 8.731 8.731 8.200 0.531 19391 3653 1 10 . 1 1 34 34 ASP N N 34 124.378 124.378 122.946 1.432 19391 3654 1 10 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.773 0.103 19391 3655 1 10 . 1 1 34 34 ASP C C 34 174.057 174.057 174.508 -0.451 19391 3656 1 10 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.526 1.519 19391 3657 1 10 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.891 -0.039 19391 3658 1 10 . 1 1 34 34 ASP H H 34 8.387 8.387 8.120 0.267 19391 3659 1 10 . 1 1 35 35 VAL N N 35 121.095 121.095 121.632 -0.537 19391 3660 1 10 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.471 0.279 19391 3661 1 10 . 1 1 35 35 VAL C C 35 173.600 173.600 174.230 -0.630 19391 3662 1 10 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.250 0.107 19391 3663 1 10 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.877 0.202 19391 3664 1 10 . 1 1 35 35 VAL H H 35 8.023 8.023 8.209 -0.186 19391 3665 1 10 . 1 1 36 36 PHE N N 36 122.163 122.163 123.612 -1.449 19391 3666 1 10 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.889 0.709 19391 3667 1 10 . 1 1 36 36 PHE C C 36 174.164 174.164 174.087 0.077 19391 3668 1 10 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.358 -1.650 19391 3669 1 10 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.814 1.164 19391 3670 1 10 . 1 1 36 36 PHE H H 36 8.710 8.710 8.611 0.099 19391 3671 1 10 . 1 1 37 37 TYR N N 37 116.406 116.406 118.386 -1.980 19391 3672 1 10 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.102 0.585 19391 3673 1 10 . 1 1 37 37 TYR C C 37 174.694 174.694 174.272 0.422 19391 3674 1 10 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.247 0.617 19391 3675 1 10 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.594 1.883 19391 3676 1 10 . 1 1 37 37 TYR H H 37 8.552 8.552 8.063 0.489 19391 3677 1 10 . 1 1 38 38 TYR N N 38 118.594 118.594 119.426 -0.832 19391 3678 1 10 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.231 0.513 19391 3679 1 10 . 1 1 38 38 TYR C C 38 175.481 175.481 175.436 0.045 19391 3680 1 10 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.485 -0.535 19391 3681 1 10 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.179 0.107 19391 3682 1 10 . 1 1 38 38 TYR H H 38 9.445 9.445 9.370 0.075 19391 3683 1 10 . 1 1 39 39 SER N N 39 118.327 118.327 118.194 0.133 19391 3684 1 10 . 1 1 39 39 SER HA H 39 2.098 2.098 3.814 -1.716 19391 3685 1 10 . 1 1 39 39 SER C C 39 174.399 174.399 174.240 0.159 19391 3686 1 10 . 1 1 39 39 SER CA C 39 55.375 55.375 54.566 0.809 19391 3687 1 10 . 1 1 39 39 SER CB C 39 62.873 62.873 62.663 0.210 19391 3688 1 10 . 1 1 39 39 SER H H 39 8.808 8.808 8.247 0.561 19391 3689 1 10 . 1 1 41 41 SER HA H 41 4.452 4.452 4.419 0.033 19391 3690 1 10 . 1 1 41 41 SER C C 41 174.963 174.963 175.918 -0.955 19391 3691 1 10 . 1 1 41 41 SER CA C 41 57.861 57.861 58.506 -0.645 19391 3692 1 10 . 1 1 41 41 SER CB C 41 63.763 63.763 63.741 0.022 19391 3693 1 10 . 1 1 42 42 GLY N N 42 111.741 111.741 111.005 0.736 19391 3694 1 10 . 1 1 42 42 GLY C C 42 173.938 173.938 174.273 -0.335 19391 3695 1 10 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.616 -0.187 19391 3696 1 10 . 1 1 42 42 GLY H H 42 8.292 8.292 8.137 0.155 19391 3697 1 10 . 1 1 43 43 LYS N N 43 122.381 122.381 122.147 0.234 19391 3698 1 10 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.356 -0.265 19391 3699 1 10 . 1 1 43 43 LYS C C 43 174.049 174.049 175.922 -1.873 19391 3700 1 10 . 1 1 43 43 LYS CA C 43 56.509 56.509 55.604 0.905 19391 3701 1 10 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.357 -0.567 19391 3702 1 10 . 1 1 43 43 LYS H H 43 7.361 7.361 7.562 -0.201 19391 3703 1 10 . 1 1 44 44 LYS N N 44 125.831 125.831 125.216 0.615 19391 3704 1 10 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.783 -0.289 19391 3705 1 10 . 1 1 44 44 LYS C C 44 175.970 175.970 175.935 0.035 19391 3706 1 10 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.059 0.650 19391 3707 1 10 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.949 2.691 19391 3708 1 10 . 1 1 44 44 LYS H H 44 8.078 8.078 8.316 -0.238 19391 3709 1 10 . 1 1 45 45 PHE N N 45 124.636 124.636 118.936 5.700 19391 3710 1 10 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.913 -0.131 19391 3711 1 10 . 1 1 45 45 PHE C C 45 176.205 176.205 173.943 2.262 19391 3712 1 10 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.126 1.827 19391 3713 1 10 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.797 1.179 19391 3714 1 10 . 1 1 45 45 PHE H H 45 9.707 9.707 7.608 2.099 19391 3715 1 10 . 1 1 46 46 ARG N N 46 117.959 117.959 123.295 -5.336 19391 3716 1 10 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.812 0.588 19391 3717 1 10 . 1 1 46 46 ARG C C 46 175.059 175.059 173.961 1.098 19391 3718 1 10 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.957 -0.635 19391 3719 1 10 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.780 2.603 19391 3720 1 10 . 1 1 46 46 ARG H H 46 9.430 9.430 9.025 0.405 19391 3721 1 10 . 1 1 47 47 SER N N 47 115.115 115.115 114.490 0.625 19391 3722 1 10 . 1 1 47 47 SER HA H 47 4.069 4.069 4.320 -0.251 19391 3723 1 10 . 1 1 47 47 SER C C 47 172.762 172.762 173.380 -0.618 19391 3724 1 10 . 1 1 47 47 SER CA C 47 56.797 56.797 57.507 -0.710 19391 3725 1 10 . 1 1 47 47 SER CB C 47 66.892 66.892 65.970 0.922 19391 3726 1 10 . 1 1 47 47 SER H H 47 7.926 7.926 7.587 0.339 19391 3727 1 10 . 1 1 48 48 LYS N N 48 122.914 122.914 123.655 -0.741 19391 3728 1 10 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.251 -0.152 19391 3729 1 10 . 1 1 48 48 LYS CA C 48 61.570 61.570 58.938 2.631 19391 3730 1 10 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.773 -0.523 19391 3731 1 10 . 1 1 48 48 LYS H H 48 8.994 8.994 8.520 0.474 19391 3732 1 10 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.294 0.090 19391 3733 1 10 . 1 1 49 49 PRO C C 49 179.505 179.505 179.283 0.222 19391 3734 1 10 . 1 1 49 49 PRO CA C 49 66.262 66.262 66.013 0.249 19391 3735 1 10 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.218 0.036 19391 3736 1 10 . 1 1 50 50 GLN N N 50 116.141 116.141 116.946 -0.805 19391 3737 1 10 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.128 0.031 19391 3738 1 10 . 1 1 50 50 GLN C C 50 179.539 179.539 178.603 0.936 19391 3739 1 10 . 1 1 50 50 GLN CA C 50 59.213 59.213 59.186 0.027 19391 3740 1 10 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.205 1.160 19391 3741 1 10 . 1 1 50 50 GLN H H 50 7.333 7.333 8.552 -1.219 19391 3742 1 10 . 1 1 51 51 LEU N N 51 122.318 122.318 120.776 1.542 19391 3743 1 10 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.846 -0.034 19391 3744 1 10 . 1 1 51 51 LEU C C 51 177.948 177.948 178.140 -0.192 19391 3745 1 10 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.851 0.293 19391 3746 1 10 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.958 1.494 19391 3747 1 10 . 1 1 51 51 LEU H H 51 7.957 7.957 7.742 0.215 19391 3748 1 10 . 1 1 52 52 ALA N N 52 120.627 120.627 121.090 -0.463 19391 3749 1 10 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.973 -0.063 19391 3750 1 10 . 1 1 52 52 ALA C C 52 181.360 181.360 179.172 2.188 19391 3751 1 10 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.968 -0.074 19391 3752 1 10 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.329 -0.143 19391 3753 1 10 . 1 1 52 52 ALA H H 52 9.134 9.134 8.073 1.061 19391 3754 1 10 . 1 1 53 53 ARG N N 53 118.087 118.087 119.489 -1.402 19391 3755 1 10 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.946 0.164 19391 3756 1 10 . 1 1 53 53 ARG C C 53 178.186 178.186 178.128 0.058 19391 3757 1 10 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.195 0.101 19391 3758 1 10 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.249 0.306 19391 3759 1 10 . 1 1 53 53 ARG H H 53 8.095 8.095 8.162 -0.066 19391 3760 1 10 . 1 1 54 54 TYR N N 54 119.692 119.692 118.644 1.048 19391 3761 1 10 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.155 0.222 19391 3762 1 10 . 1 1 54 54 TYR C C 54 177.809 177.809 177.973 -0.164 19391 3763 1 10 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.942 0.400 19391 3764 1 10 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.595 1.804 19391 3765 1 10 . 1 1 54 54 TYR H H 54 7.584 7.584 7.885 -0.301 19391 3766 1 10 . 1 1 55 55 LEU N N 55 117.313 117.313 117.562 -0.249 19391 3767 1 10 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.031 0.124 19391 3768 1 10 . 1 1 55 55 LEU C C 55 178.784 178.784 178.082 0.702 19391 3769 1 10 . 1 1 55 55 LEU CA C 55 55.788 55.788 56.612 -0.824 19391 3770 1 10 . 1 1 55 55 LEU CB C 55 42.783 42.783 42.500 0.283 19391 3771 1 10 . 1 1 55 55 LEU H H 55 8.279 8.279 7.693 0.586 19391 3772 1 10 . 1 1 56 56 GLY N N 56 108.526 108.526 105.583 2.943 19391 3773 1 10 . 1 1 56 56 GLY C C 56 174.749 174.749 175.666 -0.917 19391 3774 1 10 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.704 1.047 19391 3775 1 10 . 1 1 56 56 GLY H H 56 7.911 7.911 8.287 -0.376 19391 3776 1 10 . 1 1 57 57 GLY N N 57 109.514 109.514 110.373 -0.859 19391 3777 1 10 . 1 1 57 57 GLY C C 57 175.034 175.034 175.369 -0.335 19391 3778 1 10 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.207 0.441 19391 3779 1 10 . 1 1 57 57 GLY H H 57 8.644 8.644 8.581 0.063 19391 3780 1 10 . 1 1 58 58 SER N N 58 114.666 114.666 116.309 -1.643 19391 3781 1 10 . 1 1 58 58 SER HA H 58 4.355 4.355 4.253 0.102 19391 3782 1 10 . 1 1 58 58 SER C C 58 173.748 173.748 174.788 -1.040 19391 3783 1 10 . 1 1 58 58 SER CA C 58 60.013 60.013 59.918 0.095 19391 3784 1 10 . 1 1 58 58 SER CB C 58 64.173 64.173 63.632 0.541 19391 3785 1 10 . 1 1 58 58 SER H H 58 8.058 8.058 7.593 0.465 19391 3786 1 10 . 1 1 59 59 MET N N 59 118.467 118.467 120.257 -1.790 19391 3787 1 10 . 1 1 59 59 MET HA H 59 4.475 4.475 4.529 -0.054 19391 3788 1 10 . 1 1 59 59 MET C C 59 172.909 172.909 174.117 -1.208 19391 3789 1 10 . 1 1 59 59 MET CA C 59 56.185 56.185 54.351 1.834 19391 3790 1 10 . 1 1 59 59 MET CB C 59 35.552 35.552 36.041 -0.489 19391 3791 1 10 . 1 1 59 59 MET H H 59 7.442 7.442 7.399 0.043 19391 3792 1 10 . 1 1 60 60 ASP N N 60 121.779 121.779 123.148 -1.369 19391 3793 1 10 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.630 0.064 19391 3794 1 10 . 1 1 60 60 ASP C C 60 176.867 176.867 175.362 1.505 19391 3795 1 10 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.586 -0.305 19391 3796 1 10 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.489 0.491 19391 3797 1 10 . 1 1 60 60 ASP H H 60 8.401 8.401 8.537 -0.136 19391 3798 1 10 . 1 1 61 61 LEU N N 61 126.474 126.474 123.779 2.695 19391 3799 1 10 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.609 -0.215 19391 3800 1 10 . 1 1 61 61 LEU C C 61 178.536 178.536 177.633 0.903 19391 3801 1 10 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.239 -0.200 19391 3802 1 10 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.641 -1.028 19391 3803 1 10 . 1 1 61 61 LEU H H 61 9.015 9.015 8.391 0.624 19391 3804 1 10 . 1 1 62 62 SER N N 62 120.014 120.014 116.716 3.298 19391 3805 1 10 . 1 1 62 62 SER HA H 62 4.125 4.125 4.249 -0.124 19391 3806 1 10 . 1 1 62 62 SER C C 62 176.669 176.669 175.116 1.553 19391 3807 1 10 . 1 1 62 62 SER CA C 62 63.345 63.345 61.068 2.277 19391 3808 1 10 . 1 1 62 62 SER CB C 62 62.553 62.553 62.765 -0.212 19391 3809 1 10 . 1 1 62 62 SER H H 62 8.871 8.871 8.113 0.758 19391 3810 1 10 . 1 1 63 63 THR N N 63 110.495 110.495 112.560 -2.065 19391 3811 1 10 . 1 1 63 63 THR HA H 63 4.510 4.510 4.556 -0.046 19391 3812 1 10 . 1 1 63 63 THR C C 63 173.862 173.862 173.270 0.592 19391 3813 1 10 . 1 1 63 63 THR CA C 63 61.006 61.006 60.724 0.283 19391 3814 1 10 . 1 1 63 63 THR CB C 63 67.976 67.976 68.953 -0.977 19391 3815 1 10 . 1 1 63 63 THR H H 63 8.363 8.363 7.702 0.661 19391 3816 1 10 . 1 1 64 64 PHE N N 64 123.605 123.605 124.659 -1.054 19391 3817 1 10 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.824 -0.208 19391 3818 1 10 . 1 1 64 64 PHE C C 64 173.716 173.716 173.069 0.647 19391 3819 1 10 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.191 1.825 19391 3820 1 10 . 1 1 64 64 PHE CB C 64 40.944 40.944 42.180 -1.236 19391 3821 1 10 . 1 1 64 64 PHE H H 64 7.472 7.472 8.391 -0.919 19391 3822 1 10 . 1 1 65 65 ASP N N 65 129.564 129.564 127.274 2.290 19391 3823 1 10 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.454 0.073 19391 3824 1 10 . 1 1 65 65 ASP C C 65 173.973 173.973 174.579 -0.606 19391 3825 1 10 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.461 0.352 19391 3826 1 10 . 1 1 65 65 ASP CB C 65 41.948 41.948 42.167 -0.219 19391 3827 1 10 . 1 1 65 65 ASP H H 65 8.574 8.574 8.208 0.366 19391 3828 1 10 . 1 1 66 66 PHE N N 66 128.221 128.221 126.645 1.576 19391 3829 1 10 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.262 -0.605 19391 3830 1 10 . 1 1 66 66 PHE C C 66 177.535 177.535 176.681 0.854 19391 3831 1 10 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.663 1.083 19391 3832 1 10 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.981 1.261 19391 3833 1 10 . 1 1 66 66 PHE H H 66 8.886 8.886 8.539 0.347 19391 3834 1 10 . 1 1 67 67 ARG N N 67 116.246 116.246 118.019 -1.773 19391 3835 1 10 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.159 0.602 19391 3836 1 10 . 1 1 67 67 ARG C C 67 178.024 178.024 177.515 0.509 19391 3837 1 10 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.657 1.004 19391 3838 1 10 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.608 0.121 19391 3839 1 10 . 1 1 67 67 ARG H H 67 8.804 8.804 8.265 0.539 19391 3840 1 10 . 1 1 68 68 THR N N 68 105.409 105.409 107.836 -2.427 19391 3841 1 10 . 1 1 68 68 THR HA H 68 4.199 4.199 4.282 -0.083 19391 3842 1 10 . 1 1 68 68 THR C C 68 176.417 176.417 175.113 1.304 19391 3843 1 10 . 1 1 68 68 THR CA C 68 62.233 62.233 61.832 0.401 19391 3844 1 10 . 1 1 68 68 THR CB C 68 71.221 71.221 69.639 1.581 19391 3845 1 10 . 1 1 68 68 THR H H 68 7.407 7.407 7.920 -0.513 19391 3846 1 10 . 1 1 69 69 GLY N N 69 113.199 113.199 111.277 1.922 19391 3847 1 10 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.532 1.682 19391 3848 1 10 . 1 1 69 69 GLY H H 69 8.344 8.344 7.779 0.565 19391 3849 1 10 . 1 1 70 70 LYS N N 70 116.533 116.533 115.813 0.720 19391 3850 1 10 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.862 -0.464 19391 3851 1 10 . 1 1 70 70 LYS C C 70 175.022 175.022 174.576 0.446 19391 3852 1 10 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.426 0.187 19391 3853 1 10 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.139 -1.064 19391 3854 1 10 . 1 1 70 70 LYS H H 70 6.887 6.887 7.215 -0.328 19391 3855 1 10 . 1 1 71 71 MET N N 71 119.590 119.590 124.009 -4.419 19391 3856 1 10 . 1 1 71 71 MET HA H 71 4.770 4.770 5.087 -0.317 19391 3857 1 10 . 1 1 71 71 MET C C 71 175.810 175.810 174.507 1.303 19391 3858 1 10 . 1 1 71 71 MET CA C 71 54.296 54.296 55.810 -1.514 19391 3859 1 10 . 1 1 71 71 MET CB C 71 32.118 32.118 33.830 -1.712 19391 3860 1 10 . 1 1 71 71 MET H H 71 8.423 8.423 9.006 -0.583 19391 3861 1 11 . 1 1 2 2 SER HA H 2 4.500 4.500 4.381 0.119 19391 3862 1 11 . 1 1 2 2 SER C C 2 174.803 174.803 175.002 -0.199 19391 3863 1 11 . 1 1 2 2 SER CA C 2 58.624 58.624 58.957 -0.333 19391 3864 1 11 . 1 1 2 2 SER CB C 2 63.986 63.986 63.624 0.362 19391 3865 1 11 . 1 1 3 3 MET N N 3 122.348 122.348 122.137 0.211 19391 3866 1 11 . 1 1 3 3 MET HA H 3 4.546 4.546 4.516 0.030 19391 3867 1 11 . 1 1 3 3 MET C C 3 175.969 175.969 175.354 0.615 19391 3868 1 11 . 1 1 3 3 MET CA C 3 55.560 55.560 55.121 0.439 19391 3869 1 11 . 1 1 3 3 MET CB C 3 32.667 32.667 32.882 -0.215 19391 3870 1 11 . 1 1 3 3 MET H H 3 8.636 8.636 7.832 0.804 19391 3871 1 11 . 1 1 4 4 GLU N N 4 121.792 121.792 123.656 -1.864 19391 3872 1 11 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.526 -0.223 19391 3873 1 11 . 1 1 4 4 GLU C C 4 175.884 175.884 175.641 0.243 19391 3874 1 11 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.396 1.135 19391 3875 1 11 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.798 -0.204 19391 3876 1 11 . 1 1 4 4 GLU H H 4 8.337 8.337 8.537 -0.200 19391 3877 1 11 . 1 1 5 5 ARG N N 5 122.592 122.592 120.224 2.368 19391 3878 1 11 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.891 0.638 19391 3879 1 11 . 1 1 5 5 ARG C C 5 175.556 175.556 174.975 0.581 19391 3880 1 11 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.765 -0.758 19391 3881 1 11 . 1 1 5 5 ARG CB C 5 31.177 31.177 29.849 1.328 19391 3882 1 11 . 1 1 5 5 ARG H H 5 8.319 8.319 8.633 -0.314 19391 3883 1 11 . 1 1 6 6 LYS N N 6 123.750 123.750 127.040 -3.290 19391 3884 1 11 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.261 0.144 19391 3885 1 11 . 1 1 6 6 LYS C C 6 174.335 174.335 175.518 -1.183 19391 3886 1 11 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.034 0.553 19391 3887 1 11 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.961 1.737 19391 3888 1 11 . 1 1 6 6 LYS H H 6 8.372 8.372 8.003 0.369 19391 3889 1 11 . 1 1 7 7 ARG N N 7 121.789 121.789 123.185 -1.396 19391 3890 1 11 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.462 0.563 19391 3891 1 11 . 1 1 7 7 ARG C C 7 174.998 174.998 175.694 -0.696 19391 3892 1 11 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.311 -0.434 19391 3893 1 11 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.083 2.002 19391 3894 1 11 . 1 1 7 7 ARG H H 7 7.894 7.894 7.936 -0.042 19391 3895 1 11 . 1 1 8 8 TRP N N 8 122.774 122.774 119.811 2.963 19391 3896 1 11 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.860 0.111 19391 3897 1 11 . 1 1 8 8 TRP C C 8 175.679 175.679 175.541 0.138 19391 3898 1 11 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.954 0.388 19391 3899 1 11 . 1 1 8 8 TRP CB C 8 33.044 33.044 32.005 1.039 19391 3900 1 11 . 1 1 8 8 TRP H H 8 9.002 9.002 8.672 0.330 19391 3901 1 11 . 1 1 9 9 GLU N N 9 121.587 121.587 123.160 -1.573 19391 3902 1 11 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.299 0.175 19391 3903 1 11 . 1 1 9 9 GLU C C 9 176.133 176.133 176.502 -0.369 19391 3904 1 11 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.803 0.684 19391 3905 1 11 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.131 0.123 19391 3906 1 11 . 1 1 9 9 GLU H H 9 8.879 8.879 8.839 0.040 19391 3907 1 11 . 1 1 10 10 CYS N N 10 122.770 122.770 123.506 -0.736 19391 3908 1 11 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.808 0.417 19391 3909 1 11 . 1 1 10 10 CYS C C 10 173.480 173.480 175.133 -1.653 19391 3910 1 11 . 1 1 10 10 CYS CA C 10 56.051 56.051 57.374 -1.323 19391 3911 1 11 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.429 0.846 19391 3912 1 11 . 1 1 10 10 CYS H H 10 8.351 8.351 9.002 -0.651 19391 3913 1 11 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.320 0.324 19391 3914 1 11 . 1 1 11 11 PRO C C 11 176.160 176.160 177.221 -1.061 19391 3915 1 11 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.663 0.101 19391 3916 1 11 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.148 0.057 19391 3917 1 11 . 1 1 12 12 ALA N N 12 118.459 118.459 119.752 -1.293 19391 3918 1 11 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.423 -0.159 19391 3919 1 11 . 1 1 12 12 ALA C C 12 176.998 176.998 177.352 -0.354 19391 3920 1 11 . 1 1 12 12 ALA CA C 12 53.174 53.174 51.798 1.376 19391 3921 1 11 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.670 0.526 19391 3922 1 11 . 1 1 12 12 ALA H H 12 7.635 7.635 8.352 -0.717 19391 3923 1 11 . 1 1 13 13 LEU N N 13 117.171 117.171 121.155 -3.984 19391 3924 1 11 . 1 1 13 13 LEU HA H 13 4.315 4.315 3.966 0.349 19391 3925 1 11 . 1 1 13 13 LEU C C 13 173.277 173.277 175.571 -2.294 19391 3926 1 11 . 1 1 13 13 LEU CA C 13 52.157 52.157 54.675 -2.518 19391 3927 1 11 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.298 -0.318 19391 3928 1 11 . 1 1 13 13 LEU H H 13 7.449 7.449 8.036 -0.587 19391 3929 1 11 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.386 0.048 19391 3930 1 11 . 1 1 14 14 PRO C C 14 174.999 174.999 176.641 -1.642 19391 3931 1 11 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.355 0.343 19391 3932 1 11 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.126 -0.315 19391 3933 1 11 . 1 1 15 15 GLN N N 15 120.091 120.091 121.844 -1.753 19391 3934 1 11 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.090 0.059 19391 3935 1 11 . 1 1 15 15 GLN C C 15 177.099 177.099 177.257 -0.158 19391 3936 1 11 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.711 0.622 19391 3937 1 11 . 1 1 15 15 GLN CB C 15 28.856 28.856 27.777 1.079 19391 3938 1 11 . 1 1 15 15 GLN H H 15 8.368 8.368 8.611 -0.243 19391 3939 1 11 . 1 1 16 16 GLY N N 16 113.023 113.023 110.011 3.012 19391 3940 1 11 . 1 1 16 16 GLY C C 16 174.735 174.735 174.236 0.499 19391 3941 1 11 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.703 0.590 19391 3942 1 11 . 1 1 16 16 GLY H H 16 8.828 8.828 8.725 0.103 19391 3943 1 11 . 1 1 17 17 TRP N N 17 121.152 121.152 122.518 -1.366 19391 3944 1 11 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.249 -0.432 19391 3945 1 11 . 1 1 17 17 TRP C C 17 177.275 177.275 175.360 1.915 19391 3946 1 11 . 1 1 17 17 TRP CA C 17 59.153 59.153 56.952 2.201 19391 3947 1 11 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.381 -0.091 19391 3948 1 11 . 1 1 17 17 TRP H H 17 8.006 8.006 7.950 0.056 19391 3949 1 11 . 1 1 18 18 GLU N N 18 120.147 120.147 120.151 -0.004 19391 3950 1 11 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.848 0.407 19391 3951 1 11 . 1 1 18 18 GLU C C 18 174.373 174.373 175.157 -0.784 19391 3952 1 11 . 1 1 18 18 GLU CA C 18 55.091 55.091 54.692 0.399 19391 3953 1 11 . 1 1 18 18 GLU CB C 18 35.375 35.375 33.879 1.496 19391 3954 1 11 . 1 1 18 18 GLU H H 18 8.934 8.934 8.393 0.541 19391 3955 1 11 . 1 1 19 19 ARG N N 19 122.215 122.215 121.655 0.560 19391 3956 1 11 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.330 -0.324 19391 3957 1 11 . 1 1 19 19 ARG C C 19 174.040 174.040 174.829 -0.789 19391 3958 1 11 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.002 0.364 19391 3959 1 11 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.159 0.731 19391 3960 1 11 . 1 1 19 19 ARG H H 19 9.300 9.300 8.114 1.186 19391 3961 1 11 . 1 1 20 20 GLU N N 20 127.885 127.885 117.918 9.967 19391 3962 1 11 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.150 0.135 19391 3963 1 11 . 1 1 20 20 GLU C C 20 173.582 173.582 175.223 -1.641 19391 3964 1 11 . 1 1 20 20 GLU CA C 20 54.454 54.454 55.437 -0.983 19391 3965 1 11 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.318 3.254 19391 3966 1 11 . 1 1 20 20 GLU H H 20 9.460 9.460 8.457 1.003 19391 3967 1 11 . 1 1 21 21 GLU N N 21 123.590 123.590 124.886 -1.296 19391 3968 1 11 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.795 0.523 19391 3969 1 11 . 1 1 21 21 GLU C C 21 176.091 176.091 175.265 0.826 19391 3970 1 11 . 1 1 21 21 GLU CA C 21 54.458 54.458 56.422 -1.964 19391 3971 1 11 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.297 0.555 19391 3972 1 11 . 1 1 21 21 GLU H H 21 8.580 8.580 9.224 -0.644 19391 3973 1 11 . 1 1 22 22 VAL N N 22 123.718 123.718 124.734 -1.016 19391 3974 1 11 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.489 0.279 19391 3975 1 11 . 1 1 22 22 VAL C C 22 169.573 169.573 173.570 -3.997 19391 3976 1 11 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.909 0.080 19391 3977 1 11 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.021 1.238 19391 3978 1 11 . 1 1 22 22 VAL H H 22 9.177 9.177 8.714 0.463 19391 3979 1 11 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.394 0.361 19391 3980 1 11 . 1 1 23 23 PRO C C 23 176.679 176.679 176.696 -0.017 19391 3981 1 11 . 1 1 23 23 PRO CA C 23 62.464 62.464 63.312 -0.848 19391 3982 1 11 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.697 0.401 19391 3983 1 11 . 1 1 24 24 ARG N N 24 123.629 123.629 124.558 -0.929 19391 3984 1 11 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.389 0.099 19391 3985 1 11 . 1 1 24 24 ARG C C 24 177.926 177.926 176.083 1.843 19391 3986 1 11 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.465 -0.035 19391 3987 1 11 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.317 -0.329 19391 3988 1 11 . 1 1 24 24 ARG H H 24 8.726 8.726 8.250 0.476 19391 3989 1 11 . 1 1 25 25 ARG N N 25 124.327 124.327 120.473 3.854 19391 3990 1 11 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.395 -0.052 19391 3991 1 11 . 1 1 25 25 ARG C C 25 176.213 176.213 175.185 1.028 19391 3992 1 11 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.796 0.674 19391 3993 1 11 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.452 0.756 19391 3994 1 11 . 1 1 25 25 ARG H H 25 9.070 9.070 8.824 0.246 19391 3995 1 11 . 1 1 26 26 SER N N 26 114.348 114.348 114.144 0.204 19391 3996 1 11 . 1 1 26 26 SER HA H 26 4.652 4.652 4.430 0.222 19391 3997 1 11 . 1 1 26 26 SER C C 26 173.704 173.704 174.224 -0.520 19391 3998 1 11 . 1 1 26 26 SER CA C 26 57.727 57.727 58.620 -0.893 19391 3999 1 11 . 1 1 26 26 SER CB C 26 65.099 65.099 64.212 0.887 19391 4000 1 11 . 1 1 26 26 SER H H 26 8.071 8.071 7.980 0.091 19391 4001 1 11 . 1 1 27 27 GLY N N 27 108.224 108.224 111.594 -3.370 19391 4002 1 11 . 1 1 27 27 GLY C C 27 175.321 175.321 176.142 -0.821 19391 4003 1 11 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.862 0.301 19391 4004 1 11 . 1 1 27 27 GLY H H 27 8.433 8.433 8.100 0.333 19391 4005 1 11 . 1 1 28 28 LEU N N 28 122.251 122.251 121.541 0.710 19391 4006 1 11 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.065 0.184 19391 4007 1 11 . 1 1 28 28 LEU C C 28 178.691 178.691 177.316 1.375 19391 4008 1 11 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.506 0.287 19391 4009 1 11 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.113 0.070 19391 4010 1 11 . 1 1 28 28 LEU H H 28 8.752 8.752 8.573 0.179 19391 4011 1 11 . 1 1 29 29 SER N N 29 113.375 113.375 113.225 0.150 19391 4012 1 11 . 1 1 29 29 SER HA H 29 4.440 4.440 4.466 -0.026 19391 4013 1 11 . 1 1 29 29 SER C C 29 173.707 173.707 173.881 -0.174 19391 4014 1 11 . 1 1 29 29 SER CA C 29 57.782 57.782 57.857 -0.075 19391 4015 1 11 . 1 1 29 29 SER CB C 29 63.353 63.353 62.890 0.463 19391 4016 1 11 . 1 1 29 29 SER H H 29 8.397 8.397 8.033 0.364 19391 4017 1 11 . 1 1 30 30 ALA N N 30 124.539 124.539 122.720 1.819 19391 4018 1 11 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.004 -0.092 19391 4019 1 11 . 1 1 30 30 ALA C C 30 178.198 178.198 178.377 -0.179 19391 4020 1 11 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.792 -0.216 19391 4021 1 11 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.145 -0.723 19391 4022 1 11 . 1 1 30 30 ALA H H 30 7.623 7.623 7.306 0.317 19391 4023 1 11 . 1 1 31 31 GLY N N 31 109.642 109.642 108.232 1.410 19391 4024 1 11 . 1 1 31 31 GLY C C 31 174.534 174.534 174.462 0.072 19391 4025 1 11 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.836 0.406 19391 4026 1 11 . 1 1 31 31 GLY H H 31 8.713 8.713 8.817 -0.104 19391 4027 1 11 . 1 1 32 32 HIS N N 32 119.677 119.677 119.703 -0.026 19391 4028 1 11 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.913 -0.349 19391 4029 1 11 . 1 1 32 32 HIS C C 32 174.544 174.544 173.851 0.693 19391 4030 1 11 . 1 1 32 32 HIS CA C 32 56.416 56.416 53.886 2.530 19391 4031 1 11 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.767 -2.181 19391 4032 1 11 . 1 1 32 32 HIS H H 32 8.304 8.304 7.844 0.460 19391 4033 1 11 . 1 1 33 33 ARG N N 33 124.677 124.677 119.764 4.913 19391 4034 1 11 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.522 0.083 19391 4035 1 11 . 1 1 33 33 ARG C C 33 174.869 174.869 175.103 -0.234 19391 4036 1 11 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.519 0.243 19391 4037 1 11 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.880 -0.679 19391 4038 1 11 . 1 1 33 33 ARG H H 33 8.731 8.731 8.601 0.130 19391 4039 1 11 . 1 1 34 34 ASP N N 34 124.378 124.378 123.759 0.619 19391 4040 1 11 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.933 -0.057 19391 4041 1 11 . 1 1 34 34 ASP C C 34 174.057 174.057 175.123 -1.066 19391 4042 1 11 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.148 0.897 19391 4043 1 11 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.224 1.628 19391 4044 1 11 . 1 1 34 34 ASP H H 34 8.387 8.387 8.486 -0.099 19391 4045 1 11 . 1 1 35 35 VAL N N 35 121.095 121.095 120.921 0.174 19391 4046 1 11 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.838 -0.088 19391 4047 1 11 . 1 1 35 35 VAL C C 35 173.600 173.600 174.942 -1.342 19391 4048 1 11 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.590 -0.233 19391 4049 1 11 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.630 0.448 19391 4050 1 11 . 1 1 35 35 VAL H H 35 8.023 8.023 8.447 -0.424 19391 4051 1 11 . 1 1 36 36 PHE N N 36 122.163 122.163 124.429 -2.266 19391 4052 1 11 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.972 0.626 19391 4053 1 11 . 1 1 36 36 PHE C C 36 174.164 174.164 174.444 -0.280 19391 4054 1 11 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.906 -2.198 19391 4055 1 11 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.828 1.150 19391 4056 1 11 . 1 1 36 36 PHE H H 36 8.710 8.710 8.453 0.257 19391 4057 1 11 . 1 1 37 37 TYR N N 37 116.406 116.406 118.179 -1.773 19391 4058 1 11 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.469 0.218 19391 4059 1 11 . 1 1 37 37 TYR C C 37 174.694 174.694 174.659 0.035 19391 4060 1 11 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.213 0.651 19391 4061 1 11 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.961 1.516 19391 4062 1 11 . 1 1 37 37 TYR H H 37 8.552 8.552 8.890 -0.338 19391 4063 1 11 . 1 1 38 38 TYR N N 38 118.594 118.594 119.219 -0.625 19391 4064 1 11 . 1 1 38 38 TYR HA H 38 5.744 5.744 4.894 0.850 19391 4065 1 11 . 1 1 38 38 TYR C C 38 175.481 175.481 174.981 0.500 19391 4066 1 11 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.913 0.036 19391 4067 1 11 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.219 0.068 19391 4068 1 11 . 1 1 38 38 TYR H H 38 9.445 9.445 8.907 0.538 19391 4069 1 11 . 1 1 39 39 SER N N 39 118.327 118.327 117.149 1.178 19391 4070 1 11 . 1 1 39 39 SER HA H 39 2.098 2.098 3.882 -1.784 19391 4071 1 11 . 1 1 39 39 SER C C 39 174.399 174.399 173.899 0.500 19391 4072 1 11 . 1 1 39 39 SER CA C 39 55.375 55.375 54.484 0.891 19391 4073 1 11 . 1 1 39 39 SER CB C 39 62.873 62.873 63.160 -0.287 19391 4074 1 11 . 1 1 39 39 SER H H 39 8.808 8.808 7.589 1.219 19391 4075 1 11 . 1 1 41 41 SER HA H 41 4.452 4.452 4.342 0.110 19391 4076 1 11 . 1 1 41 41 SER C C 41 174.963 174.963 175.651 -0.688 19391 4077 1 11 . 1 1 41 41 SER CA C 41 57.861 57.861 58.789 -0.928 19391 4078 1 11 . 1 1 41 41 SER CB C 41 63.763 63.763 63.655 0.108 19391 4079 1 11 . 1 1 42 42 GLY N N 42 111.741 111.741 110.242 1.499 19391 4080 1 11 . 1 1 42 42 GLY C C 42 173.938 173.938 173.683 0.255 19391 4081 1 11 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.397 0.032 19391 4082 1 11 . 1 1 42 42 GLY H H 42 8.292 8.292 8.013 0.279 19391 4083 1 11 . 1 1 43 43 LYS N N 43 122.381 122.381 121.944 0.437 19391 4084 1 11 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.217 -0.126 19391 4085 1 11 . 1 1 43 43 LYS C C 43 174.049 174.049 175.294 -1.245 19391 4086 1 11 . 1 1 43 43 LYS CA C 43 56.509 56.509 55.730 0.779 19391 4087 1 11 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.103 -0.313 19391 4088 1 11 . 1 1 43 43 LYS H H 43 7.361 7.361 7.856 -0.495 19391 4089 1 11 . 1 1 44 44 LYS N N 44 125.831 125.831 125.842 -0.011 19391 4090 1 11 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.235 0.259 19391 4091 1 11 . 1 1 44 44 LYS C C 44 175.970 175.970 175.715 0.255 19391 4092 1 11 . 1 1 44 44 LYS CA C 44 55.709 55.709 54.815 0.894 19391 4093 1 11 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.451 3.189 19391 4094 1 11 . 1 1 44 44 LYS H H 44 8.078 8.078 8.196 -0.118 19391 4095 1 11 . 1 1 45 45 PHE N N 45 124.636 124.636 121.907 2.729 19391 4096 1 11 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.036 -0.254 19391 4097 1 11 . 1 1 45 45 PHE C C 45 176.205 176.205 173.435 2.770 19391 4098 1 11 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.190 1.763 19391 4099 1 11 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.072 1.904 19391 4100 1 11 . 1 1 45 45 PHE H H 45 9.707 9.707 7.750 1.957 19391 4101 1 11 . 1 1 46 46 ARG N N 46 117.959 117.959 119.552 -1.593 19391 4102 1 11 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.830 0.570 19391 4103 1 11 . 1 1 46 46 ARG C C 46 175.059 175.059 175.808 -0.749 19391 4104 1 11 . 1 1 46 46 ARG CA C 46 55.322 55.322 56.274 -0.952 19391 4105 1 11 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.481 2.902 19391 4106 1 11 . 1 1 46 46 ARG H H 46 9.430 9.430 8.747 0.683 19391 4107 1 11 . 1 1 47 47 SER N N 47 115.115 115.115 118.264 -3.149 19391 4108 1 11 . 1 1 47 47 SER HA H 47 4.069 4.069 3.989 0.080 19391 4109 1 11 . 1 1 47 47 SER C C 47 172.762 172.762 175.074 -2.312 19391 4110 1 11 . 1 1 47 47 SER CA C 47 56.797 56.797 59.170 -2.373 19391 4111 1 11 . 1 1 47 47 SER CB C 47 66.892 66.892 63.713 3.179 19391 4112 1 11 . 1 1 47 47 SER H H 47 7.926 7.926 8.132 -0.206 19391 4113 1 11 . 1 1 48 48 LYS N N 48 122.914 122.914 125.721 -2.807 19391 4114 1 11 . 1 1 48 48 LYS HA H 48 4.099 4.099 3.907 0.192 19391 4115 1 11 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.234 1.336 19391 4116 1 11 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.398 -0.148 19391 4117 1 11 . 1 1 48 48 LYS H H 48 8.994 8.994 8.297 0.697 19391 4118 1 11 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.179 0.205 19391 4119 1 11 . 1 1 49 49 PRO C C 49 179.505 179.505 179.023 0.482 19391 4120 1 11 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.966 0.296 19391 4121 1 11 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.347 -0.093 19391 4122 1 11 . 1 1 50 50 GLN N N 50 116.141 116.141 117.073 -0.932 19391 4123 1 11 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.091 0.068 19391 4124 1 11 . 1 1 50 50 GLN C C 50 179.539 179.539 178.119 1.420 19391 4125 1 11 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.865 0.347 19391 4126 1 11 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.220 1.145 19391 4127 1 11 . 1 1 50 50 GLN H H 50 7.333 7.333 8.241 -0.908 19391 4128 1 11 . 1 1 51 51 LEU N N 51 122.318 122.318 120.941 1.377 19391 4129 1 11 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.711 0.101 19391 4130 1 11 . 1 1 51 51 LEU C C 51 177.948 177.948 178.146 -0.198 19391 4131 1 11 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.740 0.404 19391 4132 1 11 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.420 2.031 19391 4133 1 11 . 1 1 51 51 LEU H H 51 7.957 7.957 7.546 0.411 19391 4134 1 11 . 1 1 52 52 ALA N N 52 120.627 120.627 121.353 -0.726 19391 4135 1 11 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.935 -0.025 19391 4136 1 11 . 1 1 52 52 ALA C C 52 181.360 181.360 179.562 1.798 19391 4137 1 11 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.922 -0.028 19391 4138 1 11 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.618 -0.432 19391 4139 1 11 . 1 1 52 52 ALA H H 52 9.134 9.134 8.105 1.029 19391 4140 1 11 . 1 1 53 53 ARG N N 53 118.087 118.087 118.391 -0.304 19391 4141 1 11 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.936 0.174 19391 4142 1 11 . 1 1 53 53 ARG C C 53 178.186 178.186 178.898 -0.712 19391 4143 1 11 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.037 0.259 19391 4144 1 11 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.197 0.358 19391 4145 1 11 . 1 1 53 53 ARG H H 53 8.095 8.095 7.801 0.294 19391 4146 1 11 . 1 1 54 54 TYR N N 54 119.692 119.692 119.931 -0.239 19391 4147 1 11 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.203 0.174 19391 4148 1 11 . 1 1 54 54 TYR C C 54 177.809 177.809 176.996 0.813 19391 4149 1 11 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.105 0.237 19391 4150 1 11 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.799 1.600 19391 4151 1 11 . 1 1 54 54 TYR H H 54 7.584 7.584 7.825 -0.241 19391 4152 1 11 . 1 1 55 55 LEU N N 55 117.313 117.313 114.894 2.419 19391 4153 1 11 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.528 -0.373 19391 4154 1 11 . 1 1 55 55 LEU C C 55 178.784 178.784 177.249 1.535 19391 4155 1 11 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.342 1.446 19391 4156 1 11 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.732 1.051 19391 4157 1 11 . 1 1 55 55 LEU H H 55 8.279 8.279 7.614 0.665 19391 4158 1 11 . 1 1 56 56 GLY N N 56 108.526 108.526 107.710 0.816 19391 4159 1 11 . 1 1 56 56 GLY C C 56 174.749 174.749 174.646 0.103 19391 4160 1 11 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.621 0.130 19391 4161 1 11 . 1 1 56 56 GLY H H 56 7.911 7.911 7.932 -0.021 19391 4162 1 11 . 1 1 57 57 GLY N N 57 109.514 109.514 114.953 -5.439 19391 4163 1 11 . 1 1 57 57 GLY C C 57 175.034 175.034 175.294 -0.260 19391 4164 1 11 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.213 0.435 19391 4165 1 11 . 1 1 57 57 GLY H H 57 8.644 8.644 8.055 0.589 19391 4166 1 11 . 1 1 58 58 SER N N 58 114.666 114.666 118.664 -3.998 19391 4167 1 11 . 1 1 58 58 SER HA H 58 4.355 4.355 4.235 0.120 19391 4168 1 11 . 1 1 58 58 SER C C 58 173.748 173.748 174.638 -0.890 19391 4169 1 11 . 1 1 58 58 SER CA C 58 60.013 60.013 60.544 -0.531 19391 4170 1 11 . 1 1 58 58 SER CB C 58 64.173 64.173 63.749 0.424 19391 4171 1 11 . 1 1 58 58 SER H H 58 8.058 8.058 8.090 -0.032 19391 4172 1 11 . 1 1 59 59 MET N N 59 118.467 118.467 117.959 0.508 19391 4173 1 11 . 1 1 59 59 MET HA H 59 4.475 4.475 4.499 -0.024 19391 4174 1 11 . 1 1 59 59 MET C C 59 172.909 172.909 173.449 -0.540 19391 4175 1 11 . 1 1 59 59 MET CA C 59 56.185 56.185 55.741 0.444 19391 4176 1 11 . 1 1 59 59 MET CB C 59 35.552 35.552 35.610 -0.058 19391 4177 1 11 . 1 1 59 59 MET H H 59 7.442 7.442 7.613 -0.171 19391 4178 1 11 . 1 1 60 60 ASP N N 60 121.779 121.779 122.825 -1.046 19391 4179 1 11 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.675 0.019 19391 4180 1 11 . 1 1 60 60 ASP C C 60 176.867 176.867 176.264 0.603 19391 4181 1 11 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.588 -0.307 19391 4182 1 11 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.309 0.671 19391 4183 1 11 . 1 1 60 60 ASP H H 60 8.401 8.401 8.517 -0.116 19391 4184 1 11 . 1 1 61 61 LEU N N 61 126.474 126.474 126.823 -0.349 19391 4185 1 11 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.526 -0.132 19391 4186 1 11 . 1 1 61 61 LEU C C 61 178.536 178.536 178.444 0.092 19391 4187 1 11 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.753 -0.714 19391 4188 1 11 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.329 0.284 19391 4189 1 11 . 1 1 61 61 LEU H H 61 9.015 9.015 8.715 0.300 19391 4190 1 11 . 1 1 62 62 SER N N 62 120.014 120.014 117.414 2.600 19391 4191 1 11 . 1 1 62 62 SER HA H 62 4.125 4.125 4.220 -0.095 19391 4192 1 11 . 1 1 62 62 SER C C 62 176.669 176.669 175.680 0.989 19391 4193 1 11 . 1 1 62 62 SER CA C 62 63.345 63.345 61.911 1.434 19391 4194 1 11 . 1 1 62 62 SER CB C 62 62.553 62.553 63.166 -0.613 19391 4195 1 11 . 1 1 62 62 SER H H 62 8.871 8.871 8.888 -0.017 19391 4196 1 11 . 1 1 63 63 THR N N 63 110.495 110.495 112.075 -1.580 19391 4197 1 11 . 1 1 63 63 THR HA H 63 4.510 4.510 4.347 0.163 19391 4198 1 11 . 1 1 63 63 THR C C 63 173.862 173.862 174.049 -0.187 19391 4199 1 11 . 1 1 63 63 THR CA C 63 61.006 61.006 61.375 -0.369 19391 4200 1 11 . 1 1 63 63 THR CB C 63 67.976 67.976 68.707 -0.731 19391 4201 1 11 . 1 1 63 63 THR H H 63 8.363 8.363 7.546 0.817 19391 4202 1 11 . 1 1 64 64 PHE N N 64 123.605 123.605 124.213 -0.608 19391 4203 1 11 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.611 0.005 19391 4204 1 11 . 1 1 64 64 PHE C C 64 173.716 173.716 173.412 0.304 19391 4205 1 11 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.941 1.077 19391 4206 1 11 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.218 -0.274 19391 4207 1 11 . 1 1 64 64 PHE H H 64 7.472 7.472 8.075 -0.603 19391 4208 1 11 . 1 1 65 65 ASP N N 65 129.564 129.564 128.327 1.237 19391 4209 1 11 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.475 0.052 19391 4210 1 11 . 1 1 65 65 ASP C C 65 173.973 173.973 175.314 -1.341 19391 4211 1 11 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.732 0.081 19391 4212 1 11 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.446 0.502 19391 4213 1 11 . 1 1 65 65 ASP H H 65 8.574 8.574 8.558 0.016 19391 4214 1 11 . 1 1 66 66 PHE N N 66 128.221 128.221 127.989 0.232 19391 4215 1 11 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.415 -0.758 19391 4216 1 11 . 1 1 66 66 PHE C C 66 177.535 177.535 176.724 0.811 19391 4217 1 11 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.873 0.873 19391 4218 1 11 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.774 1.468 19391 4219 1 11 . 1 1 66 66 PHE H H 66 8.886 8.886 8.315 0.571 19391 4220 1 11 . 1 1 67 67 ARG N N 67 116.246 116.246 115.171 1.075 19391 4221 1 11 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.049 0.712 19391 4222 1 11 . 1 1 67 67 ARG C C 67 178.024 178.024 177.712 0.312 19391 4223 1 11 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.334 1.327 19391 4224 1 11 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.814 -0.085 19391 4225 1 11 . 1 1 67 67 ARG H H 67 8.804 8.804 8.105 0.699 19391 4226 1 11 . 1 1 68 68 THR N N 68 105.409 105.409 107.890 -2.481 19391 4227 1 11 . 1 1 68 68 THR HA H 68 4.199 4.199 4.228 -0.029 19391 4228 1 11 . 1 1 68 68 THR C C 68 176.417 176.417 174.900 1.517 19391 4229 1 11 . 1 1 68 68 THR CA C 68 62.233 62.233 62.097 0.136 19391 4230 1 11 . 1 1 68 68 THR CB C 68 71.221 71.221 70.716 0.505 19391 4231 1 11 . 1 1 68 68 THR H H 68 7.407 7.407 8.315 -0.908 19391 4232 1 11 . 1 1 69 69 GLY N N 69 113.199 113.199 111.418 1.781 19391 4233 1 11 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.955 1.259 19391 4234 1 11 . 1 1 69 69 GLY H H 69 8.344 8.344 7.993 0.351 19391 4235 1 11 . 1 1 70 70 LYS N N 70 116.533 116.533 117.621 -1.088 19391 4236 1 11 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.582 -0.184 19391 4237 1 11 . 1 1 70 70 LYS C C 70 175.022 175.022 174.950 0.072 19391 4238 1 11 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.630 0.983 19391 4239 1 11 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.932 -0.857 19391 4240 1 11 . 1 1 70 70 LYS H H 70 6.887 6.887 7.037 -0.150 19391 4241 1 11 . 1 1 71 71 MET N N 71 119.590 119.590 121.050 -1.460 19391 4242 1 11 . 1 1 71 71 MET HA H 71 4.770 4.770 4.909 -0.139 19391 4243 1 11 . 1 1 71 71 MET C C 71 175.810 175.810 175.713 0.097 19391 4244 1 11 . 1 1 71 71 MET CA C 71 54.296 54.296 56.239 -1.942 19391 4245 1 11 . 1 1 71 71 MET CB C 71 32.118 32.118 33.560 -1.442 19391 4246 1 11 . 1 1 71 71 MET H H 71 8.423 8.423 8.601 -0.178 19391 4247 1 12 . 1 1 2 2 SER HA H 2 4.500 4.500 4.347 0.153 19391 4248 1 12 . 1 1 2 2 SER C C 2 174.803 174.803 173.595 1.208 19391 4249 1 12 . 1 1 2 2 SER CA C 2 58.624 58.624 58.761 -0.137 19391 4250 1 12 . 1 1 2 2 SER CB C 2 63.986 63.986 63.865 0.121 19391 4251 1 12 . 1 1 3 3 MET N N 3 122.348 122.348 121.980 0.368 19391 4252 1 12 . 1 1 3 3 MET HA H 3 4.546 4.546 4.611 -0.065 19391 4253 1 12 . 1 1 3 3 MET C C 3 175.969 175.969 175.698 0.271 19391 4254 1 12 . 1 1 3 3 MET CA C 3 55.560 55.560 55.681 -0.121 19391 4255 1 12 . 1 1 3 3 MET CB C 3 32.667 32.667 32.819 -0.152 19391 4256 1 12 . 1 1 3 3 MET H H 3 8.636 8.636 8.412 0.224 19391 4257 1 12 . 1 1 4 4 GLU N N 4 121.792 121.792 123.916 -2.124 19391 4258 1 12 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.649 -0.346 19391 4259 1 12 . 1 1 4 4 GLU C C 4 175.884 175.884 174.573 1.311 19391 4260 1 12 . 1 1 4 4 GLU CA C 4 56.531 56.531 54.757 1.774 19391 4261 1 12 . 1 1 4 4 GLU CB C 4 30.594 30.594 32.714 -2.120 19391 4262 1 12 . 1 1 4 4 GLU H H 4 8.337 8.337 8.545 -0.208 19391 4263 1 12 . 1 1 5 5 ARG N N 5 122.592 122.592 120.384 2.208 19391 4264 1 12 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.272 0.257 19391 4265 1 12 . 1 1 5 5 ARG C C 5 175.556 175.556 176.245 -0.689 19391 4266 1 12 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.894 0.113 19391 4267 1 12 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.014 0.163 19391 4268 1 12 . 1 1 5 5 ARG H H 5 8.319 8.319 8.316 0.003 19391 4269 1 12 . 1 1 6 6 LYS N N 6 123.750 123.750 124.019 -0.269 19391 4270 1 12 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.306 0.099 19391 4271 1 12 . 1 1 6 6 LYS C C 6 174.335 174.335 174.863 -0.528 19391 4272 1 12 . 1 1 6 6 LYS CA C 6 55.587 55.587 54.064 1.523 19391 4273 1 12 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.587 2.111 19391 4274 1 12 . 1 1 6 6 LYS H H 6 8.372 8.372 7.917 0.455 19391 4275 1 12 . 1 1 7 7 ARG N N 7 121.789 121.789 123.460 -1.671 19391 4276 1 12 . 1 1 7 7 ARG HA H 7 5.025 5.025 3.871 1.154 19391 4277 1 12 . 1 1 7 7 ARG C C 7 174.998 174.998 175.382 -0.384 19391 4278 1 12 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.993 -1.116 19391 4279 1 12 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.115 1.970 19391 4280 1 12 . 1 1 7 7 ARG H H 7 7.894 7.894 8.237 -0.343 19391 4281 1 12 . 1 1 8 8 TRP N N 8 122.774 122.774 120.179 2.595 19391 4282 1 12 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.808 0.163 19391 4283 1 12 . 1 1 8 8 TRP C C 8 175.679 175.679 175.364 0.315 19391 4284 1 12 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.079 0.263 19391 4285 1 12 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.873 1.171 19391 4286 1 12 . 1 1 8 8 TRP H H 8 9.002 9.002 8.742 0.260 19391 4287 1 12 . 1 1 9 9 GLU N N 9 121.587 121.587 123.758 -2.171 19391 4288 1 12 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.638 -0.164 19391 4289 1 12 . 1 1 9 9 GLU C C 9 176.133 176.133 176.012 0.121 19391 4290 1 12 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.375 1.112 19391 4291 1 12 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.210 0.044 19391 4292 1 12 . 1 1 9 9 GLU H H 9 8.879 8.879 8.776 0.103 19391 4293 1 12 . 1 1 10 10 CYS N N 10 122.770 122.770 126.619 -3.849 19391 4294 1 12 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.054 0.171 19391 4295 1 12 . 1 1 10 10 CYS C C 10 173.480 173.480 174.329 -0.849 19391 4296 1 12 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.354 0.697 19391 4297 1 12 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.866 -1.591 19391 4298 1 12 . 1 1 10 10 CYS H H 10 8.351 8.351 8.904 -0.553 19391 4299 1 12 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.354 0.290 19391 4300 1 12 . 1 1 11 11 PRO C C 11 176.160 176.160 176.714 -0.554 19391 4301 1 12 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.693 0.071 19391 4302 1 12 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.873 0.332 19391 4303 1 12 . 1 1 12 12 ALA N N 12 118.459 118.459 118.910 -0.451 19391 4304 1 12 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.224 0.040 19391 4305 1 12 . 1 1 12 12 ALA C C 12 176.998 176.998 178.304 -1.306 19391 4306 1 12 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.192 -0.018 19391 4307 1 12 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.994 1.202 19391 4308 1 12 . 1 1 12 12 ALA H H 12 7.635 7.635 7.741 -0.106 19391 4309 1 12 . 1 1 13 13 LEU N N 13 117.171 117.171 119.688 -2.517 19391 4310 1 12 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.523 -0.208 19391 4311 1 12 . 1 1 13 13 LEU C C 13 173.277 173.277 174.635 -1.358 19391 4312 1 12 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.924 0.233 19391 4313 1 12 . 1 1 13 13 LEU CB C 13 40.980 40.980 40.853 0.127 19391 4314 1 12 . 1 1 13 13 LEU H H 13 7.449 7.449 7.606 -0.157 19391 4315 1 12 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.380 0.054 19391 4316 1 12 . 1 1 14 14 PRO C C 14 174.999 174.999 176.332 -1.333 19391 4317 1 12 . 1 1 14 14 PRO CA C 14 62.698 62.698 63.026 -0.327 19391 4318 1 12 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.486 -0.675 19391 4319 1 12 . 1 1 15 15 GLN N N 15 120.091 120.091 121.964 -1.873 19391 4320 1 12 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.215 -0.066 19391 4321 1 12 . 1 1 15 15 GLN C C 15 177.099 177.099 176.966 0.133 19391 4322 1 12 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.725 0.608 19391 4323 1 12 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.429 0.427 19391 4324 1 12 . 1 1 15 15 GLN H H 15 8.368 8.368 8.652 -0.284 19391 4325 1 12 . 1 1 16 16 GLY N N 16 113.023 113.023 110.167 2.856 19391 4326 1 12 . 1 1 16 16 GLY C C 16 174.735 174.735 174.465 0.270 19391 4327 1 12 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.520 0.773 19391 4328 1 12 . 1 1 16 16 GLY H H 16 8.828 8.828 8.719 0.109 19391 4329 1 12 . 1 1 17 17 TRP N N 17 121.152 121.152 123.501 -2.349 19391 4330 1 12 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.180 -0.363 19391 4331 1 12 . 1 1 17 17 TRP C C 17 177.275 177.275 175.629 1.646 19391 4332 1 12 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.894 1.259 19391 4333 1 12 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.168 0.122 19391 4334 1 12 . 1 1 17 17 TRP H H 17 8.006 8.006 7.977 0.029 19391 4335 1 12 . 1 1 18 18 GLU N N 18 120.147 120.147 119.978 0.169 19391 4336 1 12 . 1 1 18 18 GLU HA H 18 5.255 5.255 5.090 0.165 19391 4337 1 12 . 1 1 18 18 GLU C C 18 174.373 174.373 175.479 -1.106 19391 4338 1 12 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.229 -0.138 19391 4339 1 12 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.920 0.455 19391 4340 1 12 . 1 1 18 18 GLU H H 18 8.934 8.934 9.201 -0.267 19391 4341 1 12 . 1 1 19 19 ARG N N 19 122.215 122.215 120.276 1.939 19391 4342 1 12 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.178 -0.172 19391 4343 1 12 . 1 1 19 19 ARG C C 19 174.040 174.040 174.465 -0.425 19391 4344 1 12 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.622 -0.256 19391 4345 1 12 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.212 1.678 19391 4346 1 12 . 1 1 19 19 ARG H H 19 9.300 9.300 8.409 0.891 19391 4347 1 12 . 1 1 20 20 GLU N N 20 127.885 127.885 120.651 7.234 19391 4348 1 12 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.810 0.475 19391 4349 1 12 . 1 1 20 20 GLU C C 20 173.582 173.582 175.095 -1.513 19391 4350 1 12 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.330 0.124 19391 4351 1 12 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.038 2.534 19391 4352 1 12 . 1 1 20 20 GLU H H 20 9.460 9.460 8.889 0.571 19391 4353 1 12 . 1 1 21 21 GLU N N 21 123.590 123.590 123.222 0.368 19391 4354 1 12 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.799 0.519 19391 4355 1 12 . 1 1 21 21 GLU C C 21 176.091 176.091 175.267 0.824 19391 4356 1 12 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.973 -1.515 19391 4357 1 12 . 1 1 21 21 GLU CB C 21 32.852 32.852 33.051 -0.199 19391 4358 1 12 . 1 1 21 21 GLU H H 21 8.580 8.580 8.412 0.168 19391 4359 1 12 . 1 1 22 22 VAL N N 22 123.718 123.718 122.319 1.399 19391 4360 1 12 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.588 0.180 19391 4361 1 12 . 1 1 22 22 VAL C C 22 169.573 169.573 173.253 -3.680 19391 4362 1 12 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.269 -0.280 19391 4363 1 12 . 1 1 22 22 VAL CB C 22 35.259 35.259 36.169 -0.910 19391 4364 1 12 . 1 1 22 22 VAL H H 22 9.177 9.177 8.431 0.746 19391 4365 1 12 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.668 0.087 19391 4366 1 12 . 1 1 23 23 PRO C C 23 176.679 176.679 176.543 0.136 19391 4367 1 12 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.395 0.069 19391 4368 1 12 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.159 -0.061 19391 4369 1 12 . 1 1 24 24 ARG N N 24 123.629 123.629 125.077 -1.448 19391 4370 1 12 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.499 -0.011 19391 4371 1 12 . 1 1 24 24 ARG C C 24 177.926 177.926 176.726 1.200 19391 4372 1 12 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.175 0.255 19391 4373 1 12 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.243 -0.255 19391 4374 1 12 . 1 1 24 24 ARG H H 24 8.726 8.726 8.332 0.394 19391 4375 1 12 . 1 1 25 25 ARG N N 25 124.327 124.327 119.751 4.576 19391 4376 1 12 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.352 -0.009 19391 4377 1 12 . 1 1 25 25 ARG C C 25 176.213 176.213 175.814 0.399 19391 4378 1 12 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.914 0.556 19391 4379 1 12 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.054 0.154 19391 4380 1 12 . 1 1 25 25 ARG H H 25 9.070 9.070 8.777 0.293 19391 4381 1 12 . 1 1 26 26 SER N N 26 114.348 114.348 113.652 0.696 19391 4382 1 12 . 1 1 26 26 SER HA H 26 4.652 4.652 4.623 0.029 19391 4383 1 12 . 1 1 26 26 SER C C 26 173.704 173.704 174.881 -1.177 19391 4384 1 12 . 1 1 26 26 SER CA C 26 57.727 57.727 58.039 -0.312 19391 4385 1 12 . 1 1 26 26 SER CB C 26 65.099 65.099 64.004 1.095 19391 4386 1 12 . 1 1 26 26 SER H H 26 8.071 8.071 8.105 -0.034 19391 4387 1 12 . 1 1 27 27 GLY N N 27 108.224 108.224 110.103 -1.879 19391 4388 1 12 . 1 1 27 27 GLY C C 27 175.321 175.321 175.685 -0.364 19391 4389 1 12 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.381 0.782 19391 4390 1 12 . 1 1 27 27 GLY H H 27 8.433 8.433 7.679 0.754 19391 4391 1 12 . 1 1 28 28 LEU N N 28 122.251 122.251 121.087 1.164 19391 4392 1 12 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.159 0.090 19391 4393 1 12 . 1 1 28 28 LEU C C 28 178.691 178.691 177.302 1.389 19391 4394 1 12 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.691 0.102 19391 4395 1 12 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.348 -0.165 19391 4396 1 12 . 1 1 28 28 LEU H H 28 8.752 8.752 8.442 0.310 19391 4397 1 12 . 1 1 29 29 SER N N 29 113.375 113.375 111.377 1.998 19391 4398 1 12 . 1 1 29 29 SER HA H 29 4.440 4.440 4.426 0.014 19391 4399 1 12 . 1 1 29 29 SER C C 29 173.707 173.707 174.474 -0.767 19391 4400 1 12 . 1 1 29 29 SER CA C 29 57.782 57.782 58.002 -0.220 19391 4401 1 12 . 1 1 29 29 SER CB C 29 63.353 63.353 62.358 0.995 19391 4402 1 12 . 1 1 29 29 SER H H 29 8.397 8.397 7.978 0.419 19391 4403 1 12 . 1 1 30 30 ALA N N 30 124.539 124.539 123.362 1.177 19391 4404 1 12 . 1 1 30 30 ALA HA H 30 3.912 3.912 3.890 0.022 19391 4405 1 12 . 1 1 30 30 ALA C C 30 178.198 178.198 178.332 -0.134 19391 4406 1 12 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.847 -0.271 19391 4407 1 12 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.981 -0.559 19391 4408 1 12 . 1 1 30 30 ALA H H 30 7.623 7.623 7.460 0.163 19391 4409 1 12 . 1 1 31 31 GLY N N 31 109.642 109.642 111.808 -2.166 19391 4410 1 12 . 1 1 31 31 GLY C C 31 174.534 174.534 174.593 -0.059 19391 4411 1 12 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.952 0.290 19391 4412 1 12 . 1 1 31 31 GLY H H 31 8.713 8.713 8.546 0.167 19391 4413 1 12 . 1 1 32 32 HIS N N 32 119.677 119.677 120.695 -1.018 19391 4414 1 12 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.743 -0.179 19391 4415 1 12 . 1 1 32 32 HIS C C 32 174.544 174.544 174.232 0.312 19391 4416 1 12 . 1 1 32 32 HIS CA C 32 56.416 56.416 54.769 1.647 19391 4417 1 12 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.142 -1.556 19391 4418 1 12 . 1 1 32 32 HIS H H 32 8.304 8.304 7.655 0.649 19391 4419 1 12 . 1 1 33 33 ARG N N 33 124.677 124.677 119.963 4.714 19391 4420 1 12 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.549 0.056 19391 4421 1 12 . 1 1 33 33 ARG C C 33 174.869 174.869 174.835 0.034 19391 4422 1 12 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.560 0.202 19391 4423 1 12 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.102 -0.902 19391 4424 1 12 . 1 1 33 33 ARG H H 33 8.731 8.731 8.622 0.109 19391 4425 1 12 . 1 1 34 34 ASP N N 34 124.378 124.378 124.644 -0.266 19391 4426 1 12 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.962 -0.086 19391 4427 1 12 . 1 1 34 34 ASP C C 34 174.057 174.057 174.955 -0.898 19391 4428 1 12 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.165 0.880 19391 4429 1 12 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.220 0.632 19391 4430 1 12 . 1 1 34 34 ASP H H 34 8.387 8.387 8.287 0.100 19391 4431 1 12 . 1 1 35 35 VAL N N 35 121.095 121.095 120.666 0.429 19391 4432 1 12 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.434 0.316 19391 4433 1 12 . 1 1 35 35 VAL C C 35 173.600 173.600 174.511 -0.911 19391 4434 1 12 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.348 0.009 19391 4435 1 12 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.054 1.024 19391 4436 1 12 . 1 1 35 35 VAL H H 35 8.023 8.023 8.280 -0.257 19391 4437 1 12 . 1 1 36 36 PHE N N 36 122.163 122.163 123.895 -1.732 19391 4438 1 12 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.760 0.838 19391 4439 1 12 . 1 1 36 36 PHE C C 36 174.164 174.164 174.145 0.019 19391 4440 1 12 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.379 -1.671 19391 4441 1 12 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.045 1.933 19391 4442 1 12 . 1 1 36 36 PHE H H 36 8.710 8.710 8.502 0.208 19391 4443 1 12 . 1 1 37 37 TYR N N 37 116.406 116.406 119.068 -2.662 19391 4444 1 12 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.929 0.758 19391 4445 1 12 . 1 1 37 37 TYR C C 37 174.694 174.694 174.189 0.505 19391 4446 1 12 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.827 1.037 19391 4447 1 12 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.362 3.115 19391 4448 1 12 . 1 1 37 37 TYR H H 37 8.552 8.552 8.275 0.277 19391 4449 1 12 . 1 1 38 38 TYR N N 38 118.594 118.594 120.878 -2.284 19391 4450 1 12 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.484 0.260 19391 4451 1 12 . 1 1 38 38 TYR C C 38 175.481 175.481 175.523 -0.042 19391 4452 1 12 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.094 -0.144 19391 4453 1 12 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.887 0.400 19391 4454 1 12 . 1 1 38 38 TYR H H 38 9.445 9.445 9.360 0.085 19391 4455 1 12 . 1 1 39 39 SER N N 39 118.327 118.327 118.377 -0.050 19391 4456 1 12 . 1 1 39 39 SER HA H 39 2.098 2.098 4.061 -1.963 19391 4457 1 12 . 1 1 39 39 SER C C 39 174.399 174.399 174.101 0.298 19391 4458 1 12 . 1 1 39 39 SER CA C 39 55.375 55.375 55.003 0.372 19391 4459 1 12 . 1 1 39 39 SER CB C 39 62.873 62.873 62.719 0.154 19391 4460 1 12 . 1 1 39 39 SER H H 39 8.808 8.808 8.453 0.355 19391 4461 1 12 . 1 1 41 41 SER HA H 41 4.452 4.452 4.484 -0.032 19391 4462 1 12 . 1 1 41 41 SER C C 41 174.963 174.963 175.372 -0.409 19391 4463 1 12 . 1 1 41 41 SER CA C 41 57.861 57.861 58.521 -0.660 19391 4464 1 12 . 1 1 41 41 SER CB C 41 63.763 63.763 63.633 0.130 19391 4465 1 12 . 1 1 42 42 GLY N N 42 111.741 111.741 109.674 2.067 19391 4466 1 12 . 1 1 42 42 GLY C C 42 173.938 173.938 173.961 -0.023 19391 4467 1 12 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.444 -0.015 19391 4468 1 12 . 1 1 42 42 GLY H H 42 8.292 8.292 8.023 0.269 19391 4469 1 12 . 1 1 43 43 LYS N N 43 122.381 122.381 121.755 0.626 19391 4470 1 12 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.230 -0.139 19391 4471 1 12 . 1 1 43 43 LYS C C 43 174.049 174.049 176.087 -2.038 19391 4472 1 12 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.676 -0.167 19391 4473 1 12 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.858 -0.067 19391 4474 1 12 . 1 1 43 43 LYS H H 43 7.361 7.361 7.656 -0.295 19391 4475 1 12 . 1 1 44 44 LYS N N 44 125.831 125.831 125.393 0.438 19391 4476 1 12 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.106 -0.612 19391 4477 1 12 . 1 1 44 44 LYS C C 44 175.970 175.970 176.101 -0.131 19391 4478 1 12 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.035 0.674 19391 4479 1 12 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.993 2.647 19391 4480 1 12 . 1 1 44 44 LYS H H 44 8.078 8.078 8.292 -0.214 19391 4481 1 12 . 1 1 45 45 PHE N N 45 124.636 124.636 119.794 4.842 19391 4482 1 12 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.982 -0.200 19391 4483 1 12 . 1 1 45 45 PHE C C 45 176.205 176.205 174.291 1.914 19391 4484 1 12 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.195 1.758 19391 4485 1 12 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.132 0.844 19391 4486 1 12 . 1 1 45 45 PHE H H 45 9.707 9.707 8.247 1.460 19391 4487 1 12 . 1 1 46 46 ARG N N 46 117.959 117.959 120.732 -2.773 19391 4488 1 12 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.800 0.600 19391 4489 1 12 . 1 1 46 46 ARG C C 46 175.059 175.059 174.829 0.230 19391 4490 1 12 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.871 -0.549 19391 4491 1 12 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.571 2.812 19391 4492 1 12 . 1 1 46 46 ARG H H 46 9.430 9.430 8.847 0.583 19391 4493 1 12 . 1 1 47 47 SER N N 47 115.115 115.115 115.816 -0.701 19391 4494 1 12 . 1 1 47 47 SER HA H 47 4.069 4.069 4.351 -0.282 19391 4495 1 12 . 1 1 47 47 SER C C 47 172.762 172.762 173.634 -0.872 19391 4496 1 12 . 1 1 47 47 SER CA C 47 56.797 56.797 57.151 -0.354 19391 4497 1 12 . 1 1 47 47 SER CB C 47 66.892 66.892 66.366 0.526 19391 4498 1 12 . 1 1 47 47 SER H H 47 7.926 7.926 7.901 0.025 19391 4499 1 12 . 1 1 48 48 LYS N N 48 122.914 122.914 123.031 -0.117 19391 4500 1 12 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.075 0.024 19391 4501 1 12 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.463 2.107 19391 4502 1 12 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.643 -0.393 19391 4503 1 12 . 1 1 48 48 LYS H H 48 8.994 8.994 8.580 0.414 19391 4504 1 12 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.109 0.275 19391 4505 1 12 . 1 1 49 49 PRO C C 49 179.505 179.505 178.896 0.609 19391 4506 1 12 . 1 1 49 49 PRO CA C 49 66.262 66.262 66.116 0.146 19391 4507 1 12 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.387 -0.133 19391 4508 1 12 . 1 1 50 50 GLN N N 50 116.141 116.141 117.765 -1.624 19391 4509 1 12 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.049 0.110 19391 4510 1 12 . 1 1 50 50 GLN C C 50 179.539 179.539 178.342 1.197 19391 4511 1 12 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.953 0.260 19391 4512 1 12 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.736 0.629 19391 4513 1 12 . 1 1 50 50 GLN H H 50 7.333 7.333 8.145 -0.812 19391 4514 1 12 . 1 1 51 51 LEU N N 51 122.318 122.318 120.898 1.420 19391 4515 1 12 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.870 -0.058 19391 4516 1 12 . 1 1 51 51 LEU C C 51 177.948 177.948 178.240 -0.292 19391 4517 1 12 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.677 0.467 19391 4518 1 12 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.445 2.006 19391 4519 1 12 . 1 1 51 51 LEU H H 51 7.957 7.957 7.620 0.337 19391 4520 1 12 . 1 1 52 52 ALA N N 52 120.627 120.627 121.611 -0.984 19391 4521 1 12 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.922 -0.012 19391 4522 1 12 . 1 1 52 52 ALA C C 52 181.360 181.360 179.333 2.027 19391 4523 1 12 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.061 -0.167 19391 4524 1 12 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.412 -0.226 19391 4525 1 12 . 1 1 52 52 ALA H H 52 9.134 9.134 8.397 0.737 19391 4526 1 12 . 1 1 53 53 ARG N N 53 118.087 118.087 119.057 -0.970 19391 4527 1 12 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.943 0.167 19391 4528 1 12 . 1 1 53 53 ARG C C 53 178.186 178.186 178.283 -0.097 19391 4529 1 12 . 1 1 53 53 ARG CA C 53 59.296 59.296 58.706 0.590 19391 4530 1 12 . 1 1 53 53 ARG CB C 53 30.555 30.555 29.921 0.635 19391 4531 1 12 . 1 1 53 53 ARG H H 53 8.095 8.095 7.916 0.179 19391 4532 1 12 . 1 1 54 54 TYR N N 54 119.692 119.692 118.044 1.648 19391 4533 1 12 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.187 0.190 19391 4534 1 12 . 1 1 54 54 TYR C C 54 177.809 177.809 176.949 0.860 19391 4535 1 12 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.658 0.684 19391 4536 1 12 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.907 1.492 19391 4537 1 12 . 1 1 54 54 TYR H H 54 7.584 7.584 7.772 -0.188 19391 4538 1 12 . 1 1 55 55 LEU N N 55 117.313 117.313 112.500 4.813 19391 4539 1 12 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.517 -0.362 19391 4540 1 12 . 1 1 55 55 LEU C C 55 178.784 178.784 177.568 1.216 19391 4541 1 12 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.807 0.981 19391 4542 1 12 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.766 1.017 19391 4543 1 12 . 1 1 55 55 LEU H H 55 8.279 8.279 7.864 0.415 19391 4544 1 12 . 1 1 56 56 GLY N N 56 108.526 108.526 110.308 -1.782 19391 4545 1 12 . 1 1 56 56 GLY C C 56 174.749 174.749 175.064 -0.315 19391 4546 1 12 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.594 0.157 19391 4547 1 12 . 1 1 56 56 GLY H H 56 7.911 7.911 8.025 -0.114 19391 4548 1 12 . 1 1 57 57 GLY N N 57 109.514 109.514 108.716 0.798 19391 4549 1 12 . 1 1 57 57 GLY C C 57 175.034 175.034 174.684 0.350 19391 4550 1 12 . 1 1 57 57 GLY CA C 57 45.648 45.648 44.389 1.259 19391 4551 1 12 . 1 1 57 57 GLY H H 57 8.644 8.644 8.080 0.564 19391 4552 1 12 . 1 1 58 58 SER N N 58 114.666 114.666 116.747 -2.081 19391 4553 1 12 . 1 1 58 58 SER HA H 58 4.355 4.355 4.440 -0.085 19391 4554 1 12 . 1 1 58 58 SER C C 58 173.748 173.748 174.244 -0.496 19391 4555 1 12 . 1 1 58 58 SER CA C 58 60.013 60.013 59.792 0.221 19391 4556 1 12 . 1 1 58 58 SER CB C 58 64.173 64.173 63.794 0.379 19391 4557 1 12 . 1 1 58 58 SER H H 58 8.058 8.058 8.354 -0.296 19391 4558 1 12 . 1 1 59 59 MET N N 59 118.467 118.467 120.201 -1.734 19391 4559 1 12 . 1 1 59 59 MET HA H 59 4.475 4.475 4.522 -0.047 19391 4560 1 12 . 1 1 59 59 MET C C 59 172.909 172.909 174.301 -1.392 19391 4561 1 12 . 1 1 59 59 MET CA C 59 56.185 56.185 54.223 1.962 19391 4562 1 12 . 1 1 59 59 MET CB C 59 35.552 35.552 35.227 0.325 19391 4563 1 12 . 1 1 59 59 MET H H 59 7.442 7.442 7.499 -0.057 19391 4564 1 12 . 1 1 60 60 ASP N N 60 121.779 121.779 124.964 -3.185 19391 4565 1 12 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.742 -0.048 19391 4566 1 12 . 1 1 60 60 ASP C C 60 176.867 176.867 176.226 0.641 19391 4567 1 12 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.514 -0.234 19391 4568 1 12 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.900 0.080 19391 4569 1 12 . 1 1 60 60 ASP H H 60 8.401 8.401 8.612 -0.211 19391 4570 1 12 . 1 1 61 61 LEU N N 61 126.474 126.474 127.833 -1.359 19391 4571 1 12 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.434 -0.040 19391 4572 1 12 . 1 1 61 61 LEU C C 61 178.536 178.536 177.888 0.648 19391 4573 1 12 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.497 -0.458 19391 4574 1 12 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.653 -0.040 19391 4575 1 12 . 1 1 61 61 LEU H H 61 9.015 9.015 8.618 0.397 19391 4576 1 12 . 1 1 62 62 SER N N 62 120.014 120.014 116.768 3.246 19391 4577 1 12 . 1 1 62 62 SER HA H 62 4.125 4.125 4.174 -0.049 19391 4578 1 12 . 1 1 62 62 SER C C 62 176.669 176.669 175.482 1.187 19391 4579 1 12 . 1 1 62 62 SER CA C 62 63.345 63.345 61.529 1.816 19391 4580 1 12 . 1 1 62 62 SER CB C 62 62.553 62.553 63.329 -0.776 19391 4581 1 12 . 1 1 62 62 SER H H 62 8.871 8.871 8.886 -0.015 19391 4582 1 12 . 1 1 63 63 THR N N 63 110.495 110.495 113.905 -3.410 19391 4583 1 12 . 1 1 63 63 THR HA H 63 4.510 4.510 4.522 -0.012 19391 4584 1 12 . 1 1 63 63 THR C C 63 173.862 173.862 173.094 0.768 19391 4585 1 12 . 1 1 63 63 THR CA C 63 61.006 61.006 61.663 -0.657 19391 4586 1 12 . 1 1 63 63 THR CB C 63 67.976 67.976 68.541 -0.565 19391 4587 1 12 . 1 1 63 63 THR H H 63 8.363 8.363 8.014 0.349 19391 4588 1 12 . 1 1 64 64 PHE N N 64 123.605 123.605 124.054 -0.449 19391 4589 1 12 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.768 -0.152 19391 4590 1 12 . 1 1 64 64 PHE C C 64 173.716 173.716 173.168 0.548 19391 4591 1 12 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.548 1.469 19391 4592 1 12 . 1 1 64 64 PHE CB C 64 40.944 40.944 42.675 -1.731 19391 4593 1 12 . 1 1 64 64 PHE H H 64 7.472 7.472 8.386 -0.914 19391 4594 1 12 . 1 1 65 65 ASP N N 65 129.564 129.564 127.799 1.765 19391 4595 1 12 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.598 -0.071 19391 4596 1 12 . 1 1 65 65 ASP C C 65 173.973 173.973 175.054 -1.081 19391 4597 1 12 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.088 0.725 19391 4598 1 12 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.184 0.764 19391 4599 1 12 . 1 1 65 65 ASP H H 65 8.574 8.574 8.382 0.192 19391 4600 1 12 . 1 1 66 66 PHE N N 66 128.221 128.221 128.255 -0.034 19391 4601 1 12 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.493 -0.836 19391 4602 1 12 . 1 1 66 66 PHE C C 66 177.535 177.535 176.733 0.802 19391 4603 1 12 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.968 0.778 19391 4604 1 12 . 1 1 66 66 PHE CB C 66 41.242 41.242 40.063 1.179 19391 4605 1 12 . 1 1 66 66 PHE H H 66 8.886 8.886 8.199 0.687 19391 4606 1 12 . 1 1 67 67 ARG N N 67 116.246 116.246 115.160 1.086 19391 4607 1 12 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.049 0.712 19391 4608 1 12 . 1 1 67 67 ARG C C 67 178.024 178.024 177.692 0.332 19391 4609 1 12 . 1 1 67 67 ARG CA C 67 59.661 59.661 57.914 1.747 19391 4610 1 12 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.441 0.288 19391 4611 1 12 . 1 1 67 67 ARG H H 67 8.804 8.804 8.496 0.308 19391 4612 1 12 . 1 1 68 68 THR N N 68 105.409 105.409 106.594 -1.185 19391 4613 1 12 . 1 1 68 68 THR HA H 68 4.199 4.199 4.277 -0.078 19391 4614 1 12 . 1 1 68 68 THR C C 68 176.417 176.417 174.826 1.591 19391 4615 1 12 . 1 1 68 68 THR CA C 68 62.233 62.233 61.663 0.570 19391 4616 1 12 . 1 1 68 68 THR CB C 68 71.221 71.221 70.569 0.652 19391 4617 1 12 . 1 1 68 68 THR H H 68 7.407 7.407 8.115 -0.708 19391 4618 1 12 . 1 1 69 69 GLY N N 69 113.199 113.199 110.796 2.403 19391 4619 1 12 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.894 1.320 19391 4620 1 12 . 1 1 69 69 GLY H H 69 8.344 8.344 7.862 0.482 19391 4621 1 12 . 1 1 70 70 LYS N N 70 116.533 116.533 117.900 -1.367 19391 4622 1 12 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.600 -0.202 19391 4623 1 12 . 1 1 70 70 LYS C C 70 175.022 175.022 174.585 0.437 19391 4624 1 12 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.886 0.727 19391 4625 1 12 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.906 -0.831 19391 4626 1 12 . 1 1 70 70 LYS H H 70 6.887 6.887 7.510 -0.623 19391 4627 1 12 . 1 1 71 71 MET N N 71 119.590 119.590 122.812 -3.222 19391 4628 1 12 . 1 1 71 71 MET HA H 71 4.770 4.770 4.386 0.384 19391 4629 1 12 . 1 1 71 71 MET C C 71 175.810 175.810 176.272 -0.462 19391 4630 1 12 . 1 1 71 71 MET CA C 71 54.296 54.296 56.271 -1.975 19391 4631 1 12 . 1 1 71 71 MET CB C 71 32.118 32.118 33.373 -1.255 19391 4632 1 12 . 1 1 71 71 MET H H 71 8.423 8.423 8.716 -0.293 19391 4633 1 13 . 1 1 2 2 SER HA H 2 4.500 4.500 4.483 0.017 19391 4634 1 13 . 1 1 2 2 SER C C 2 174.803 174.803 175.608 -0.805 19391 4635 1 13 . 1 1 2 2 SER CA C 2 58.624 58.624 58.521 0.103 19391 4636 1 13 . 1 1 2 2 SER CB C 2 63.986 63.986 63.688 0.298 19391 4637 1 13 . 1 1 3 3 MET N N 3 122.348 122.348 122.333 0.015 19391 4638 1 13 . 1 1 3 3 MET HA H 3 4.546 4.546 4.183 0.363 19391 4639 1 13 . 1 1 3 3 MET C C 3 175.969 175.969 175.031 0.938 19391 4640 1 13 . 1 1 3 3 MET CA C 3 55.560 55.560 57.133 -1.573 19391 4641 1 13 . 1 1 3 3 MET CB C 3 32.667 32.667 32.753 -0.086 19391 4642 1 13 . 1 1 3 3 MET H H 3 8.636 8.636 8.463 0.173 19391 4643 1 13 . 1 1 4 4 GLU N N 4 121.792 121.792 120.681 1.111 19391 4644 1 13 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.493 -0.190 19391 4645 1 13 . 1 1 4 4 GLU C C 4 175.884 175.884 175.122 0.762 19391 4646 1 13 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.711 0.820 19391 4647 1 13 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.229 0.365 19391 4648 1 13 . 1 1 4 4 GLU H H 4 8.337 8.337 8.490 -0.153 19391 4649 1 13 . 1 1 5 5 ARG N N 5 122.592 122.592 123.132 -0.540 19391 4650 1 13 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.364 0.165 19391 4651 1 13 . 1 1 5 5 ARG C C 5 175.556 175.556 176.415 -0.859 19391 4652 1 13 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.661 0.346 19391 4653 1 13 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.219 -0.042 19391 4654 1 13 . 1 1 5 5 ARG H H 5 8.319 8.319 8.294 0.025 19391 4655 1 13 . 1 1 6 6 LYS N N 6 123.750 123.750 122.853 0.897 19391 4656 1 13 . 1 1 6 6 LYS HA H 6 4.405 4.405 3.899 0.506 19391 4657 1 13 . 1 1 6 6 LYS C C 6 174.335 174.335 175.201 -0.866 19391 4658 1 13 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.817 -0.230 19391 4659 1 13 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.661 2.037 19391 4660 1 13 . 1 1 6 6 LYS H H 6 8.372 8.372 8.090 0.282 19391 4661 1 13 . 1 1 7 7 ARG N N 7 121.789 121.789 124.075 -2.286 19391 4662 1 13 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.224 0.801 19391 4663 1 13 . 1 1 7 7 ARG C C 7 174.998 174.998 174.296 0.702 19391 4664 1 13 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.051 -0.174 19391 4665 1 13 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.274 1.811 19391 4666 1 13 . 1 1 7 7 ARG H H 7 7.894 7.894 7.788 0.106 19391 4667 1 13 . 1 1 8 8 TRP N N 8 122.774 122.774 125.249 -2.475 19391 4668 1 13 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.162 -0.191 19391 4669 1 13 . 1 1 8 8 TRP C C 8 175.679 175.679 175.249 0.430 19391 4670 1 13 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.333 2.009 19391 4671 1 13 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.068 2.976 19391 4672 1 13 . 1 1 8 8 TRP H H 8 9.002 9.002 7.810 1.192 19391 4673 1 13 . 1 1 9 9 GLU N N 9 121.587 121.587 121.206 0.381 19391 4674 1 13 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.392 0.082 19391 4675 1 13 . 1 1 9 9 GLU C C 9 176.133 176.133 176.572 -0.439 19391 4676 1 13 . 1 1 9 9 GLU CA C 9 57.487 57.487 57.165 0.322 19391 4677 1 13 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.192 0.062 19391 4678 1 13 . 1 1 9 9 GLU H H 9 8.879 8.879 8.575 0.304 19391 4679 1 13 . 1 1 10 10 CYS N N 10 122.770 122.770 123.161 -0.391 19391 4680 1 13 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.929 0.296 19391 4681 1 13 . 1 1 10 10 CYS C C 10 173.480 173.480 174.151 -0.671 19391 4682 1 13 . 1 1 10 10 CYS CA C 10 56.051 56.051 56.018 0.033 19391 4683 1 13 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.392 0.883 19391 4684 1 13 . 1 1 10 10 CYS H H 10 8.351 8.351 8.213 0.138 19391 4685 1 13 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.424 0.220 19391 4686 1 13 . 1 1 11 11 PRO C C 11 176.160 176.160 177.230 -1.070 19391 4687 1 13 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.395 0.369 19391 4688 1 13 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.195 0.010 19391 4689 1 13 . 1 1 12 12 ALA N N 12 118.459 118.459 121.148 -2.689 19391 4690 1 13 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.182 0.082 19391 4691 1 13 . 1 1 12 12 ALA C C 12 176.998 176.998 177.180 -0.182 19391 4692 1 13 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.117 0.057 19391 4693 1 13 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.961 1.235 19391 4694 1 13 . 1 1 12 12 ALA H H 12 7.635 7.635 8.239 -0.604 19391 4695 1 13 . 1 1 13 13 LEU N N 13 117.171 117.171 118.594 -1.423 19391 4696 1 13 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.263 0.052 19391 4697 1 13 . 1 1 13 13 LEU C C 13 173.277 173.277 174.872 -1.595 19391 4698 1 13 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.804 0.353 19391 4699 1 13 . 1 1 13 13 LEU CB C 13 40.980 40.980 40.762 0.218 19391 4700 1 13 . 1 1 13 13 LEU H H 13 7.449 7.449 7.802 -0.353 19391 4701 1 13 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.268 0.166 19391 4702 1 13 . 1 1 14 14 PRO C C 14 174.999 174.999 176.431 -1.432 19391 4703 1 13 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.949 -0.251 19391 4704 1 13 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.172 -0.361 19391 4705 1 13 . 1 1 15 15 GLN N N 15 120.091 120.091 122.897 -2.806 19391 4706 1 13 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.108 0.041 19391 4707 1 13 . 1 1 15 15 GLN C C 15 177.099 177.099 177.158 -0.059 19391 4708 1 13 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.984 0.349 19391 4709 1 13 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.403 0.453 19391 4710 1 13 . 1 1 15 15 GLN H H 15 8.368 8.368 8.628 -0.260 19391 4711 1 13 . 1 1 16 16 GLY N N 16 113.023 113.023 109.516 3.507 19391 4712 1 13 . 1 1 16 16 GLY C C 16 174.735 174.735 173.887 0.848 19391 4713 1 13 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.758 0.535 19391 4714 1 13 . 1 1 16 16 GLY H H 16 8.828 8.828 8.775 0.053 19391 4715 1 13 . 1 1 17 17 TRP N N 17 121.152 121.152 122.234 -1.082 19391 4716 1 13 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.071 -0.254 19391 4717 1 13 . 1 1 17 17 TRP C C 17 177.275 177.275 175.728 1.547 19391 4718 1 13 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.038 2.115 19391 4719 1 13 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.262 0.028 19391 4720 1 13 . 1 1 17 17 TRP H H 17 8.006 8.006 7.948 0.058 19391 4721 1 13 . 1 1 18 18 GLU N N 18 120.147 120.147 120.340 -0.193 19391 4722 1 13 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.903 0.352 19391 4723 1 13 . 1 1 18 18 GLU C C 18 174.373 174.373 174.431 -0.058 19391 4724 1 13 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.502 -0.411 19391 4725 1 13 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.407 0.968 19391 4726 1 13 . 1 1 18 18 GLU H H 18 8.934 8.934 9.426 -0.492 19391 4727 1 13 . 1 1 19 19 ARG N N 19 122.215 122.215 124.019 -1.804 19391 4728 1 13 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.021 -0.015 19391 4729 1 13 . 1 1 19 19 ARG C C 19 174.040 174.040 173.598 0.442 19391 4730 1 13 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.918 -0.552 19391 4731 1 13 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.159 0.731 19391 4732 1 13 . 1 1 19 19 ARG H H 19 9.300 9.300 8.569 0.731 19391 4733 1 13 . 1 1 20 20 GLU N N 20 127.885 127.885 126.276 1.609 19391 4734 1 13 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.564 0.721 19391 4735 1 13 . 1 1 20 20 GLU C C 20 173.582 173.582 174.040 -0.458 19391 4736 1 13 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.678 -0.224 19391 4737 1 13 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.898 2.674 19391 4738 1 13 . 1 1 20 20 GLU H H 20 9.460 9.460 8.326 1.134 19391 4739 1 13 . 1 1 21 21 GLU N N 21 123.590 123.590 125.459 -1.869 19391 4740 1 13 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.977 0.341 19391 4741 1 13 . 1 1 21 21 GLU C C 21 176.091 176.091 175.033 1.058 19391 4742 1 13 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.018 -0.560 19391 4743 1 13 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.171 0.681 19391 4744 1 13 . 1 1 21 21 GLU H H 21 8.580 8.580 8.522 0.058 19391 4745 1 13 . 1 1 22 22 VAL N N 22 123.718 123.718 123.370 0.348 19391 4746 1 13 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.620 0.148 19391 4747 1 13 . 1 1 22 22 VAL C C 22 169.573 169.573 173.414 -3.841 19391 4748 1 13 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.075 -0.086 19391 4749 1 13 . 1 1 22 22 VAL CB C 22 35.259 35.259 35.090 0.169 19391 4750 1 13 . 1 1 22 22 VAL H H 22 9.177 9.177 8.697 0.480 19391 4751 1 13 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.794 -0.039 19391 4752 1 13 . 1 1 23 23 PRO C C 23 176.679 176.679 176.693 -0.014 19391 4753 1 13 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.086 0.378 19391 4754 1 13 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.343 -0.245 19391 4755 1 13 . 1 1 24 24 ARG N N 24 123.629 123.629 122.487 1.142 19391 4756 1 13 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.639 -0.151 19391 4757 1 13 . 1 1 24 24 ARG C C 24 177.926 177.926 177.298 0.628 19391 4758 1 13 . 1 1 24 24 ARG CA C 24 56.430 56.430 54.901 1.529 19391 4759 1 13 . 1 1 24 24 ARG CB C 24 30.988 30.988 30.569 0.419 19391 4760 1 13 . 1 1 24 24 ARG H H 24 8.726 8.726 8.157 0.569 19391 4761 1 13 . 1 1 25 25 ARG N N 25 124.327 124.327 118.983 5.344 19391 4762 1 13 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.549 -0.206 19391 4763 1 13 . 1 1 25 25 ARG C C 25 176.213 176.213 176.058 0.155 19391 4764 1 13 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.464 2.006 19391 4765 1 13 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.425 0.783 19391 4766 1 13 . 1 1 25 25 ARG H H 25 9.070 9.070 8.677 0.393 19391 4767 1 13 . 1 1 26 26 SER N N 26 114.348 114.348 116.078 -1.730 19391 4768 1 13 . 1 1 26 26 SER HA H 26 4.652 4.652 4.436 0.216 19391 4769 1 13 . 1 1 26 26 SER C C 26 173.704 173.704 175.446 -1.742 19391 4770 1 13 . 1 1 26 26 SER CA C 26 57.727 57.727 58.240 -0.513 19391 4771 1 13 . 1 1 26 26 SER CB C 26 65.099 65.099 64.407 0.692 19391 4772 1 13 . 1 1 26 26 SER H H 26 8.071 8.071 7.868 0.203 19391 4773 1 13 . 1 1 27 27 GLY N N 27 108.224 108.224 109.452 -1.228 19391 4774 1 13 . 1 1 27 27 GLY C C 27 175.321 175.321 176.311 -0.990 19391 4775 1 13 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.962 -0.800 19391 4776 1 13 . 1 1 27 27 GLY H H 27 8.433 8.433 8.535 -0.102 19391 4777 1 13 . 1 1 28 28 LEU N N 28 122.251 122.251 120.818 1.433 19391 4778 1 13 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.228 0.021 19391 4779 1 13 . 1 1 28 28 LEU C C 28 178.691 178.691 177.927 0.764 19391 4780 1 13 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.373 0.420 19391 4781 1 13 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.079 0.104 19391 4782 1 13 . 1 1 28 28 LEU H H 28 8.752 8.752 8.108 0.644 19391 4783 1 13 . 1 1 29 29 SER N N 29 113.375 113.375 113.405 -0.030 19391 4784 1 13 . 1 1 29 29 SER HA H 29 4.440 4.440 4.312 0.128 19391 4785 1 13 . 1 1 29 29 SER C C 29 173.707 173.707 174.551 -0.844 19391 4786 1 13 . 1 1 29 29 SER CA C 29 57.782 57.782 58.079 -0.297 19391 4787 1 13 . 1 1 29 29 SER CB C 29 63.353 63.353 62.735 0.618 19391 4788 1 13 . 1 1 29 29 SER H H 29 8.397 8.397 7.915 0.482 19391 4789 1 13 . 1 1 30 30 ALA N N 30 124.539 124.539 123.131 1.408 19391 4790 1 13 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.490 -0.578 19391 4791 1 13 . 1 1 30 30 ALA C C 30 178.198 178.198 177.941 0.257 19391 4792 1 13 . 1 1 30 30 ALA CA C 30 53.576 53.576 52.558 1.018 19391 4793 1 13 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.540 -1.118 19391 4794 1 13 . 1 1 30 30 ALA H H 30 7.623 7.623 7.281 0.342 19391 4795 1 13 . 1 1 31 31 GLY N N 31 109.642 109.642 108.075 1.567 19391 4796 1 13 . 1 1 31 31 GLY C C 31 174.534 174.534 174.089 0.445 19391 4797 1 13 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.896 -0.654 19391 4798 1 13 . 1 1 31 31 GLY H H 31 8.713 8.713 8.978 -0.265 19391 4799 1 13 . 1 1 32 32 HIS N N 32 119.677 119.677 121.730 -2.053 19391 4800 1 13 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.591 -0.027 19391 4801 1 13 . 1 1 32 32 HIS C C 32 174.544 174.544 174.447 0.097 19391 4802 1 13 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.742 -0.326 19391 4803 1 13 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.000 -0.414 19391 4804 1 13 . 1 1 32 32 HIS H H 32 8.304 8.304 7.743 0.561 19391 4805 1 13 . 1 1 33 33 ARG N N 33 124.677 124.677 125.579 -0.902 19391 4806 1 13 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.578 0.027 19391 4807 1 13 . 1 1 33 33 ARG C C 33 174.869 174.869 174.962 -0.093 19391 4808 1 13 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.498 0.264 19391 4809 1 13 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.736 -0.536 19391 4810 1 13 . 1 1 33 33 ARG H H 33 8.731 8.731 8.629 0.102 19391 4811 1 13 . 1 1 34 34 ASP N N 34 124.378 124.378 125.975 -1.597 19391 4812 1 13 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.834 0.042 19391 4813 1 13 . 1 1 34 34 ASP C C 34 174.057 174.057 175.130 -1.073 19391 4814 1 13 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.462 0.583 19391 4815 1 13 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.830 1.022 19391 4816 1 13 . 1 1 34 34 ASP H H 34 8.387 8.387 8.406 -0.019 19391 4817 1 13 . 1 1 35 35 VAL N N 35 121.095 121.095 120.642 0.453 19391 4818 1 13 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.332 0.418 19391 4819 1 13 . 1 1 35 35 VAL C C 35 173.600 173.600 174.852 -1.252 19391 4820 1 13 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.443 -0.086 19391 4821 1 13 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.496 1.582 19391 4822 1 13 . 1 1 35 35 VAL H H 35 8.023 8.023 8.191 -0.168 19391 4823 1 13 . 1 1 36 36 PHE N N 36 122.163 122.163 126.283 -4.120 19391 4824 1 13 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.702 0.896 19391 4825 1 13 . 1 1 36 36 PHE C C 36 174.164 174.164 174.120 0.044 19391 4826 1 13 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.737 -2.029 19391 4827 1 13 . 1 1 36 36 PHE CB C 36 43.978 43.978 41.767 2.211 19391 4828 1 13 . 1 1 36 36 PHE H H 36 8.710 8.710 8.577 0.133 19391 4829 1 13 . 1 1 37 37 TYR N N 37 116.406 116.406 119.474 -3.068 19391 4830 1 13 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.975 0.712 19391 4831 1 13 . 1 1 37 37 TYR C C 37 174.694 174.694 174.020 0.674 19391 4832 1 13 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.345 0.519 19391 4833 1 13 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.724 2.753 19391 4834 1 13 . 1 1 37 37 TYR H H 37 8.552 8.552 8.008 0.544 19391 4835 1 13 . 1 1 38 38 TYR N N 38 118.594 118.594 119.934 -1.340 19391 4836 1 13 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.071 0.673 19391 4837 1 13 . 1 1 38 38 TYR C C 38 175.481 175.481 175.423 0.058 19391 4838 1 13 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.344 -0.394 19391 4839 1 13 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.987 0.300 19391 4840 1 13 . 1 1 38 38 TYR H H 38 9.445 9.445 9.452 -0.007 19391 4841 1 13 . 1 1 39 39 SER N N 39 118.327 118.327 116.826 1.501 19391 4842 1 13 . 1 1 39 39 SER HA H 39 2.098 2.098 4.261 -2.163 19391 4843 1 13 . 1 1 39 39 SER C C 39 174.399 174.399 174.389 0.010 19391 4844 1 13 . 1 1 39 39 SER CA C 39 55.375 55.375 54.711 0.665 19391 4845 1 13 . 1 1 39 39 SER CB C 39 62.873 62.873 63.911 -1.038 19391 4846 1 13 . 1 1 39 39 SER H H 39 8.808 8.808 8.325 0.483 19391 4847 1 13 . 1 1 41 41 SER HA H 41 4.452 4.452 4.375 0.077 19391 4848 1 13 . 1 1 41 41 SER C C 41 174.963 174.963 175.797 -0.834 19391 4849 1 13 . 1 1 41 41 SER CA C 41 57.861 57.861 57.934 -0.073 19391 4850 1 13 . 1 1 41 41 SER CB C 41 63.763 63.763 63.380 0.383 19391 4851 1 13 . 1 1 42 42 GLY N N 42 111.741 111.741 111.195 0.546 19391 4852 1 13 . 1 1 42 42 GLY C C 42 173.938 173.938 173.894 0.044 19391 4853 1 13 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.322 0.107 19391 4854 1 13 . 1 1 42 42 GLY H H 42 8.292 8.292 8.137 0.155 19391 4855 1 13 . 1 1 43 43 LYS N N 43 122.381 122.381 121.981 0.400 19391 4856 1 13 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.290 -0.199 19391 4857 1 13 . 1 1 43 43 LYS C C 43 174.049 174.049 175.652 -1.603 19391 4858 1 13 . 1 1 43 43 LYS CA C 43 56.509 56.509 55.903 0.606 19391 4859 1 13 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.933 -0.143 19391 4860 1 13 . 1 1 43 43 LYS H H 43 7.361 7.361 7.512 -0.151 19391 4861 1 13 . 1 1 44 44 LYS N N 44 125.831 125.831 128.608 -2.777 19391 4862 1 13 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.534 -0.040 19391 4863 1 13 . 1 1 44 44 LYS C C 44 175.970 175.970 175.726 0.244 19391 4864 1 13 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.946 -0.237 19391 4865 1 13 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.614 2.026 19391 4866 1 13 . 1 1 44 44 LYS H H 44 8.078 8.078 8.509 -0.431 19391 4867 1 13 . 1 1 45 45 PHE N N 45 124.636 124.636 122.846 1.790 19391 4868 1 13 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.914 -0.132 19391 4869 1 13 . 1 1 45 45 PHE C C 45 176.205 176.205 174.039 2.166 19391 4870 1 13 . 1 1 45 45 PHE CA C 45 57.953 57.953 55.860 2.093 19391 4871 1 13 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.655 1.321 19391 4872 1 13 . 1 1 45 45 PHE H H 45 9.707 9.707 7.852 1.855 19391 4873 1 13 . 1 1 46 46 ARG N N 46 117.959 117.959 120.693 -2.734 19391 4874 1 13 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.809 0.591 19391 4875 1 13 . 1 1 46 46 ARG C C 46 175.059 175.059 174.878 0.181 19391 4876 1 13 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.933 -0.611 19391 4877 1 13 . 1 1 46 46 ARG CB C 46 33.383 33.383 29.776 3.607 19391 4878 1 13 . 1 1 46 46 ARG H H 46 9.430 9.430 8.918 0.512 19391 4879 1 13 . 1 1 47 47 SER N N 47 115.115 115.115 115.847 -0.732 19391 4880 1 13 . 1 1 47 47 SER HA H 47 4.069 4.069 4.385 -0.316 19391 4881 1 13 . 1 1 47 47 SER C C 47 172.762 172.762 174.029 -1.267 19391 4882 1 13 . 1 1 47 47 SER CA C 47 56.797 56.797 57.106 -0.309 19391 4883 1 13 . 1 1 47 47 SER CB C 47 66.892 66.892 65.128 1.764 19391 4884 1 13 . 1 1 47 47 SER H H 47 7.926 7.926 7.851 0.075 19391 4885 1 13 . 1 1 48 48 LYS N N 48 122.914 122.914 124.329 -1.415 19391 4886 1 13 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.136 -0.037 19391 4887 1 13 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.452 1.118 19391 4888 1 13 . 1 1 48 48 LYS CB C 48 30.250 30.250 31.058 -0.808 19391 4889 1 13 . 1 1 48 48 LYS H H 48 8.994 8.994 8.388 0.606 19391 4890 1 13 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.226 0.158 19391 4891 1 13 . 1 1 49 49 PRO C C 49 179.505 179.505 178.996 0.509 19391 4892 1 13 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.920 0.342 19391 4893 1 13 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.304 -0.050 19391 4894 1 13 . 1 1 50 50 GLN N N 50 116.141 116.141 116.920 -0.779 19391 4895 1 13 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.211 -0.052 19391 4896 1 13 . 1 1 50 50 GLN C C 50 179.539 179.539 178.522 1.017 19391 4897 1 13 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.817 0.396 19391 4898 1 13 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.065 1.300 19391 4899 1 13 . 1 1 50 50 GLN H H 50 7.333 7.333 8.432 -1.099 19391 4900 1 13 . 1 1 51 51 LEU N N 51 122.318 122.318 121.300 1.018 19391 4901 1 13 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.046 -0.234 19391 4902 1 13 . 1 1 51 51 LEU C C 51 177.948 177.948 178.377 -0.429 19391 4903 1 13 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.900 0.244 19391 4904 1 13 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.541 1.910 19391 4905 1 13 . 1 1 51 51 LEU H H 51 7.957 7.957 7.788 0.169 19391 4906 1 13 . 1 1 52 52 ALA N N 52 120.627 120.627 121.659 -1.032 19391 4907 1 13 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.962 -0.052 19391 4908 1 13 . 1 1 52 52 ALA C C 52 181.360 181.360 179.302 2.058 19391 4909 1 13 . 1 1 52 52 ALA CA C 52 54.894 54.894 55.163 -0.269 19391 4910 1 13 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.596 -0.410 19391 4911 1 13 . 1 1 52 52 ALA H H 52 9.134 9.134 8.614 0.520 19391 4912 1 13 . 1 1 53 53 ARG N N 53 118.087 118.087 119.186 -1.099 19391 4913 1 13 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.960 0.150 19391 4914 1 13 . 1 1 53 53 ARG C C 53 178.186 178.186 178.435 -0.249 19391 4915 1 13 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.301 -0.005 19391 4916 1 13 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.273 0.281 19391 4917 1 13 . 1 1 53 53 ARG H H 53 8.095 8.095 8.091 0.004 19391 4918 1 13 . 1 1 54 54 TYR N N 54 119.692 119.692 119.379 0.313 19391 4919 1 13 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.235 0.142 19391 4920 1 13 . 1 1 54 54 TYR C C 54 177.809 177.809 177.205 0.604 19391 4921 1 13 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.139 0.203 19391 4922 1 13 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.817 1.582 19391 4923 1 13 . 1 1 54 54 TYR H H 54 7.584 7.584 7.991 -0.407 19391 4924 1 13 . 1 1 55 55 LEU N N 55 117.313 117.313 116.100 1.213 19391 4925 1 13 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.322 -0.167 19391 4926 1 13 . 1 1 55 55 LEU C C 55 178.784 178.784 178.311 0.473 19391 4927 1 13 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.399 1.389 19391 4928 1 13 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.769 1.014 19391 4929 1 13 . 1 1 55 55 LEU H H 55 8.279 8.279 7.988 0.291 19391 4930 1 13 . 1 1 56 56 GLY N N 56 108.526 108.526 109.866 -1.340 19391 4931 1 13 . 1 1 56 56 GLY C C 56 174.749 174.749 176.183 -1.434 19391 4932 1 13 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.466 -0.715 19391 4933 1 13 . 1 1 56 56 GLY H H 56 7.911 7.911 8.432 -0.521 19391 4934 1 13 . 1 1 57 57 GLY N N 57 109.514 109.514 108.424 1.090 19391 4935 1 13 . 1 1 57 57 GLY C C 57 175.034 175.034 174.732 0.302 19391 4936 1 13 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.940 -0.292 19391 4937 1 13 . 1 1 57 57 GLY H H 57 8.644 8.644 8.548 0.096 19391 4938 1 13 . 1 1 58 58 SER N N 58 114.666 114.666 115.800 -1.134 19391 4939 1 13 . 1 1 58 58 SER HA H 58 4.355 4.355 4.608 -0.253 19391 4940 1 13 . 1 1 58 58 SER C C 58 173.748 173.748 174.248 -0.500 19391 4941 1 13 . 1 1 58 58 SER CA C 58 60.013 60.013 58.780 1.233 19391 4942 1 13 . 1 1 58 58 SER CB C 58 64.173 64.173 64.958 -0.785 19391 4943 1 13 . 1 1 58 58 SER H H 58 8.058 8.058 8.023 0.035 19391 4944 1 13 . 1 1 59 59 MET N N 59 118.467 118.467 118.767 -0.300 19391 4945 1 13 . 1 1 59 59 MET HA H 59 4.475 4.475 4.635 -0.160 19391 4946 1 13 . 1 1 59 59 MET C C 59 172.909 172.909 173.099 -0.190 19391 4947 1 13 . 1 1 59 59 MET CA C 59 56.185 56.185 56.143 0.042 19391 4948 1 13 . 1 1 59 59 MET CB C 59 35.552 35.552 34.965 0.586 19391 4949 1 13 . 1 1 59 59 MET H H 59 7.442 7.442 7.864 -0.422 19391 4950 1 13 . 1 1 60 60 ASP N N 60 121.779 121.779 120.467 1.312 19391 4951 1 13 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.719 -0.025 19391 4952 1 13 . 1 1 60 60 ASP C C 60 176.867 176.867 175.587 1.280 19391 4953 1 13 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.437 -0.156 19391 4954 1 13 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.131 0.849 19391 4955 1 13 . 1 1 60 60 ASP H H 60 8.401 8.401 8.417 -0.016 19391 4956 1 13 . 1 1 61 61 LEU N N 61 126.474 126.474 124.296 2.178 19391 4957 1 13 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.609 -0.215 19391 4958 1 13 . 1 1 61 61 LEU C C 61 178.536 178.536 177.941 0.595 19391 4959 1 13 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.115 -0.076 19391 4960 1 13 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.697 -0.084 19391 4961 1 13 . 1 1 61 61 LEU H H 61 9.015 9.015 8.505 0.510 19391 4962 1 13 . 1 1 62 62 SER N N 62 120.014 120.014 116.839 3.175 19391 4963 1 13 . 1 1 62 62 SER HA H 62 4.125 4.125 4.238 -0.113 19391 4964 1 13 . 1 1 62 62 SER C C 62 176.669 176.669 175.106 1.563 19391 4965 1 13 . 1 1 62 62 SER CA C 62 63.345 63.345 60.817 2.528 19391 4966 1 13 . 1 1 62 62 SER CB C 62 62.553 62.553 63.339 -0.786 19391 4967 1 13 . 1 1 62 62 SER H H 62 8.871 8.871 8.074 0.797 19391 4968 1 13 . 1 1 63 63 THR N N 63 110.495 110.495 111.648 -1.153 19391 4969 1 13 . 1 1 63 63 THR HA H 63 4.510 4.510 4.435 0.075 19391 4970 1 13 . 1 1 63 63 THR C C 63 173.862 173.862 173.931 -0.069 19391 4971 1 13 . 1 1 63 63 THR CA C 63 61.006 61.006 60.759 0.247 19391 4972 1 13 . 1 1 63 63 THR CB C 63 67.976 67.976 68.598 -0.622 19391 4973 1 13 . 1 1 63 63 THR H H 63 8.363 8.363 7.904 0.459 19391 4974 1 13 . 1 1 64 64 PHE N N 64 123.605 123.605 124.767 -1.162 19391 4975 1 13 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.970 -0.354 19391 4976 1 13 . 1 1 64 64 PHE C C 64 173.716 173.716 173.981 -0.265 19391 4977 1 13 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.302 1.715 19391 4978 1 13 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.365 -0.421 19391 4979 1 13 . 1 1 64 64 PHE H H 64 7.472 7.472 7.903 -0.431 19391 4980 1 13 . 1 1 65 65 ASP N N 65 129.564 129.564 127.864 1.700 19391 4981 1 13 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.412 0.115 19391 4982 1 13 . 1 1 65 65 ASP C C 65 173.973 173.973 175.057 -1.084 19391 4983 1 13 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.440 0.373 19391 4984 1 13 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.871 0.077 19391 4985 1 13 . 1 1 65 65 ASP H H 65 8.574 8.574 8.463 0.111 19391 4986 1 13 . 1 1 66 66 PHE N N 66 128.221 128.221 127.532 0.689 19391 4987 1 13 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.183 -0.526 19391 4988 1 13 . 1 1 66 66 PHE C C 66 177.535 177.535 175.830 1.705 19391 4989 1 13 . 1 1 66 66 PHE CA C 66 61.746 61.746 59.843 1.903 19391 4990 1 13 . 1 1 66 66 PHE CB C 66 41.242 41.242 40.105 1.137 19391 4991 1 13 . 1 1 66 66 PHE H H 66 8.886 8.886 8.644 0.242 19391 4992 1 13 . 1 1 67 67 ARG N N 67 116.246 116.246 117.025 -0.779 19391 4993 1 13 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.083 0.678 19391 4994 1 13 . 1 1 67 67 ARG C C 67 178.024 178.024 177.213 0.811 19391 4995 1 13 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.353 1.308 19391 4996 1 13 . 1 1 67 67 ARG CB C 67 29.729 29.729 30.710 -0.981 19391 4997 1 13 . 1 1 67 67 ARG H H 67 8.804 8.804 8.184 0.620 19391 4998 1 13 . 1 1 68 68 THR N N 68 105.409 105.409 107.963 -2.554 19391 4999 1 13 . 1 1 68 68 THR HA H 68 4.199 4.199 4.269 -0.070 19391 5000 1 13 . 1 1 68 68 THR C C 68 176.417 176.417 174.656 1.761 19391 5001 1 13 . 1 1 68 68 THR CA C 68 62.233 62.233 61.652 0.581 19391 5002 1 13 . 1 1 68 68 THR CB C 68 71.221 71.221 70.034 1.188 19391 5003 1 13 . 1 1 68 68 THR H H 68 7.407 7.407 7.971 -0.564 19391 5004 1 13 . 1 1 69 69 GLY N N 69 113.199 113.199 110.870 2.329 19391 5005 1 13 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.743 1.471 19391 5006 1 13 . 1 1 69 69 GLY H H 69 8.344 8.344 7.610 0.734 19391 5007 1 13 . 1 1 70 70 LYS N N 70 116.533 116.533 117.400 -0.867 19391 5008 1 13 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.722 -0.324 19391 5009 1 13 . 1 1 70 70 LYS C C 70 175.022 175.022 174.280 0.742 19391 5010 1 13 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.072 0.541 19391 5011 1 13 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.172 -0.097 19391 5012 1 13 . 1 1 70 70 LYS H H 70 6.887 6.887 7.489 -0.602 19391 5013 1 13 . 1 1 71 71 MET N N 71 119.590 119.590 124.468 -4.878 19391 5014 1 13 . 1 1 71 71 MET HA H 71 4.770 4.770 4.747 0.023 19391 5015 1 13 . 1 1 71 71 MET C C 71 175.810 175.810 175.404 0.406 19391 5016 1 13 . 1 1 71 71 MET CA C 71 54.296 54.296 54.807 -0.511 19391 5017 1 13 . 1 1 71 71 MET CB C 71 32.118 32.118 33.501 -1.383 19391 5018 1 13 . 1 1 71 71 MET H H 71 8.423 8.423 8.797 -0.374 19391 5019 1 14 . 1 1 2 2 SER HA H 2 4.500 4.500 4.680 -0.180 19391 5020 1 14 . 1 1 2 2 SER C C 2 174.803 174.803 173.402 1.401 19391 5021 1 14 . 1 1 2 2 SER CA C 2 58.624 58.624 57.367 1.257 19391 5022 1 14 . 1 1 2 2 SER CB C 2 63.986 63.986 64.226 -0.240 19391 5023 1 14 . 1 1 3 3 MET N N 3 122.348 122.348 122.280 0.068 19391 5024 1 14 . 1 1 3 3 MET HA H 3 4.546 4.546 4.446 0.100 19391 5025 1 14 . 1 1 3 3 MET C C 3 175.969 175.969 175.435 0.534 19391 5026 1 14 . 1 1 3 3 MET CA C 3 55.560 55.560 55.811 -0.251 19391 5027 1 14 . 1 1 3 3 MET CB C 3 32.667 32.667 31.789 0.878 19391 5028 1 14 . 1 1 3 3 MET H H 3 8.636 8.636 8.398 0.238 19391 5029 1 14 . 1 1 4 4 GLU N N 4 121.792 121.792 122.682 -0.890 19391 5030 1 14 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.463 -0.160 19391 5031 1 14 . 1 1 4 4 GLU C C 4 175.884 175.884 175.661 0.223 19391 5032 1 14 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.455 1.076 19391 5033 1 14 . 1 1 4 4 GLU CB C 4 30.594 30.594 31.456 -0.862 19391 5034 1 14 . 1 1 4 4 GLU H H 4 8.337 8.337 8.279 0.058 19391 5035 1 14 . 1 1 5 5 ARG N N 5 122.592 122.592 116.823 5.769 19391 5036 1 14 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.948 0.581 19391 5037 1 14 . 1 1 5 5 ARG C C 5 175.556 175.556 175.061 0.495 19391 5038 1 14 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.856 -0.849 19391 5039 1 14 . 1 1 5 5 ARG CB C 5 31.177 31.177 28.308 2.869 19391 5040 1 14 . 1 1 5 5 ARG H H 5 8.319 8.319 8.498 -0.179 19391 5041 1 14 . 1 1 6 6 LYS N N 6 123.750 123.750 122.112 1.638 19391 5042 1 14 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.483 -0.078 19391 5043 1 14 . 1 1 6 6 LYS C C 6 174.335 174.335 175.069 -0.734 19391 5044 1 14 . 1 1 6 6 LYS CA C 6 55.587 55.587 53.762 1.825 19391 5045 1 14 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.635 1.063 19391 5046 1 14 . 1 1 6 6 LYS H H 6 8.372 8.372 7.508 0.864 19391 5047 1 14 . 1 1 7 7 ARG N N 7 121.789 121.789 124.556 -2.767 19391 5048 1 14 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.882 0.143 19391 5049 1 14 . 1 1 7 7 ARG C C 7 174.998 174.998 175.386 -0.388 19391 5050 1 14 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.171 -0.294 19391 5051 1 14 . 1 1 7 7 ARG CB C 7 33.085 33.085 30.752 2.333 19391 5052 1 14 . 1 1 7 7 ARG H H 7 7.894 7.894 8.359 -0.465 19391 5053 1 14 . 1 1 8 8 TRP N N 8 122.774 122.774 125.061 -2.287 19391 5054 1 14 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.972 -0.001 19391 5055 1 14 . 1 1 8 8 TRP C C 8 175.679 175.679 175.696 -0.017 19391 5056 1 14 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.759 1.583 19391 5057 1 14 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.652 2.392 19391 5058 1 14 . 1 1 8 8 TRP H H 8 9.002 9.002 8.378 0.624 19391 5059 1 14 . 1 1 9 9 GLU N N 9 121.587 121.587 119.746 1.841 19391 5060 1 14 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.465 0.009 19391 5061 1 14 . 1 1 9 9 GLU C C 9 176.133 176.133 175.757 0.376 19391 5062 1 14 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.162 1.325 19391 5063 1 14 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.305 -1.051 19391 5064 1 14 . 1 1 9 9 GLU H H 9 8.879 8.879 8.643 0.236 19391 5065 1 14 . 1 1 10 10 CYS N N 10 122.770 122.770 126.957 -4.187 19391 5066 1 14 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.091 0.134 19391 5067 1 14 . 1 1 10 10 CYS C C 10 173.480 173.480 174.300 -0.820 19391 5068 1 14 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.346 0.705 19391 5069 1 14 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.051 -0.776 19391 5070 1 14 . 1 1 10 10 CYS H H 10 8.351 8.351 8.906 -0.555 19391 5071 1 14 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.303 0.341 19391 5072 1 14 . 1 1 11 11 PRO C C 11 176.160 176.160 176.805 -0.645 19391 5073 1 14 . 1 1 11 11 PRO CA C 11 64.764 64.764 65.023 -0.259 19391 5074 1 14 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.996 0.209 19391 5075 1 14 . 1 1 12 12 ALA N N 12 118.459 118.459 117.980 0.479 19391 5076 1 14 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.151 0.113 19391 5077 1 14 . 1 1 12 12 ALA C C 12 176.998 176.998 177.821 -0.823 19391 5078 1 14 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.129 0.045 19391 5079 1 14 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.195 1.000 19391 5080 1 14 . 1 1 12 12 ALA H H 12 7.635 7.635 8.263 -0.628 19391 5081 1 14 . 1 1 13 13 LEU N N 13 117.171 117.171 118.998 -1.827 19391 5082 1 14 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.358 -0.043 19391 5083 1 14 . 1 1 13 13 LEU C C 13 173.277 173.277 174.582 -1.305 19391 5084 1 14 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.701 0.456 19391 5085 1 14 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.724 -0.744 19391 5086 1 14 . 1 1 13 13 LEU H H 13 7.449 7.449 7.429 0.020 19391 5087 1 14 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.353 0.081 19391 5088 1 14 . 1 1 14 14 PRO C C 14 174.999 174.999 176.511 -1.512 19391 5089 1 14 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.981 -0.283 19391 5090 1 14 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.278 -0.467 19391 5091 1 14 . 1 1 15 15 GLN N N 15 120.091 120.091 120.617 -0.526 19391 5092 1 14 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.073 0.076 19391 5093 1 14 . 1 1 15 15 GLN C C 15 177.099 177.099 176.863 0.236 19391 5094 1 14 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.873 0.460 19391 5095 1 14 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.584 0.272 19391 5096 1 14 . 1 1 15 15 GLN H H 15 8.368 8.368 8.644 -0.276 19391 5097 1 14 . 1 1 16 16 GLY N N 16 113.023 113.023 110.813 2.210 19391 5098 1 14 . 1 1 16 16 GLY C C 16 174.735 174.735 174.577 0.158 19391 5099 1 14 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.451 0.842 19391 5100 1 14 . 1 1 16 16 GLY H H 16 8.828 8.828 8.768 0.060 19391 5101 1 14 . 1 1 17 17 TRP N N 17 121.152 121.152 123.577 -2.425 19391 5102 1 14 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.119 -0.302 19391 5103 1 14 . 1 1 17 17 TRP C C 17 177.275 177.275 176.058 1.217 19391 5104 1 14 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.544 1.609 19391 5105 1 14 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.129 0.161 19391 5106 1 14 . 1 1 17 17 TRP H H 17 8.006 8.006 8.024 -0.018 19391 5107 1 14 . 1 1 18 18 GLU N N 18 120.147 120.147 119.194 0.953 19391 5108 1 14 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.929 0.326 19391 5109 1 14 . 1 1 18 18 GLU C C 18 174.373 174.373 174.798 -0.425 19391 5110 1 14 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.284 -0.193 19391 5111 1 14 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.928 0.447 19391 5112 1 14 . 1 1 18 18 GLU H H 18 8.934 8.934 8.472 0.462 19391 5113 1 14 . 1 1 19 19 ARG N N 19 122.215 122.215 121.927 0.288 19391 5114 1 14 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.547 0.459 19391 5115 1 14 . 1 1 19 19 ARG C C 19 174.040 174.040 174.163 -0.123 19391 5116 1 14 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.608 -0.242 19391 5117 1 14 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.911 0.979 19391 5118 1 14 . 1 1 19 19 ARG H H 19 9.300 9.300 8.780 0.520 19391 5119 1 14 . 1 1 20 20 GLU N N 20 127.885 127.885 121.783 6.102 19391 5120 1 14 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.979 0.306 19391 5121 1 14 . 1 1 20 20 GLU C C 20 173.582 173.582 174.428 -0.846 19391 5122 1 14 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.712 -0.258 19391 5123 1 14 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.054 2.518 19391 5124 1 14 . 1 1 20 20 GLU H H 20 9.460 9.460 8.329 1.131 19391 5125 1 14 . 1 1 21 21 GLU N N 21 123.590 123.590 125.574 -1.984 19391 5126 1 14 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.679 0.639 19391 5127 1 14 . 1 1 21 21 GLU C C 21 176.091 176.091 175.016 1.075 19391 5128 1 14 . 1 1 21 21 GLU CA C 21 54.458 54.458 54.413 0.045 19391 5129 1 14 . 1 1 21 21 GLU CB C 21 32.852 32.852 31.372 1.480 19391 5130 1 14 . 1 1 21 21 GLU H H 21 8.580 8.580 7.956 0.624 19391 5131 1 14 . 1 1 22 22 VAL N N 22 123.718 123.718 125.054 -1.336 19391 5132 1 14 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.548 0.220 19391 5133 1 14 . 1 1 22 22 VAL C C 22 169.573 169.573 173.728 -4.155 19391 5134 1 14 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.155 0.834 19391 5135 1 14 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.365 0.894 19391 5136 1 14 . 1 1 22 22 VAL H H 22 9.177 9.177 8.637 0.540 19391 5137 1 14 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.724 0.031 19391 5138 1 14 . 1 1 23 23 PRO C C 23 176.679 176.679 176.190 0.489 19391 5139 1 14 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.217 0.247 19391 5140 1 14 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.765 -0.667 19391 5141 1 14 . 1 1 24 24 ARG N N 24 123.629 123.629 119.852 3.777 19391 5142 1 14 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.699 -0.211 19391 5143 1 14 . 1 1 24 24 ARG C C 24 177.926 177.926 177.111 0.815 19391 5144 1 14 . 1 1 24 24 ARG CA C 24 56.430 56.430 54.683 1.747 19391 5145 1 14 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.146 -0.158 19391 5146 1 14 . 1 1 24 24 ARG H H 24 8.726 8.726 8.444 0.282 19391 5147 1 14 . 1 1 25 25 ARG N N 25 124.327 124.327 124.197 0.130 19391 5148 1 14 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.235 0.108 19391 5149 1 14 . 1 1 25 25 ARG C C 25 176.213 176.213 176.415 -0.202 19391 5150 1 14 . 1 1 25 25 ARG CA C 25 57.470 57.470 57.404 0.066 19391 5151 1 14 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.009 0.199 19391 5152 1 14 . 1 1 25 25 ARG H H 25 9.070 9.070 8.898 0.172 19391 5153 1 14 . 1 1 26 26 SER N N 26 114.348 114.348 115.847 -1.499 19391 5154 1 14 . 1 1 26 26 SER HA H 26 4.652 4.652 4.157 0.495 19391 5155 1 14 . 1 1 26 26 SER C C 26 173.704 173.704 175.325 -1.621 19391 5156 1 14 . 1 1 26 26 SER CA C 26 57.727 57.727 60.311 -2.584 19391 5157 1 14 . 1 1 26 26 SER CB C 26 65.099 65.099 62.658 2.441 19391 5158 1 14 . 1 1 26 26 SER H H 26 8.071 8.071 8.046 0.025 19391 5159 1 14 . 1 1 27 27 GLY N N 27 108.224 108.224 109.733 -1.509 19391 5160 1 14 . 1 1 27 27 GLY C C 27 175.321 175.321 175.063 0.258 19391 5161 1 14 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.005 0.158 19391 5162 1 14 . 1 1 27 27 GLY H H 27 8.433 8.433 8.265 0.168 19391 5163 1 14 . 1 1 28 28 LEU N N 28 122.251 122.251 121.482 0.769 19391 5164 1 14 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.294 -0.045 19391 5165 1 14 . 1 1 28 28 LEU C C 28 178.691 178.691 177.969 0.722 19391 5166 1 14 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.624 0.169 19391 5167 1 14 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.123 0.060 19391 5168 1 14 . 1 1 28 28 LEU H H 28 8.752 8.752 7.975 0.777 19391 5169 1 14 . 1 1 29 29 SER N N 29 113.375 113.375 113.239 0.136 19391 5170 1 14 . 1 1 29 29 SER HA H 29 4.440 4.440 4.433 0.007 19391 5171 1 14 . 1 1 29 29 SER C C 29 173.707 173.707 174.058 -0.351 19391 5172 1 14 . 1 1 29 29 SER CA C 29 57.782 57.782 58.443 -0.661 19391 5173 1 14 . 1 1 29 29 SER CB C 29 63.353 63.353 63.072 0.281 19391 5174 1 14 . 1 1 29 29 SER H H 29 8.397 8.397 8.071 0.326 19391 5175 1 14 . 1 1 30 30 ALA N N 30 124.539 124.539 121.738 2.801 19391 5176 1 14 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.124 -0.212 19391 5177 1 14 . 1 1 30 30 ALA C C 30 178.198 178.198 177.854 0.344 19391 5178 1 14 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.581 -0.005 19391 5179 1 14 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.770 -0.348 19391 5180 1 14 . 1 1 30 30 ALA H H 30 7.623 7.623 7.026 0.597 19391 5181 1 14 . 1 1 31 31 GLY N N 31 109.642 109.642 112.313 -2.671 19391 5182 1 14 . 1 1 31 31 GLY C C 31 174.534 174.534 174.369 0.165 19391 5183 1 14 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.753 0.489 19391 5184 1 14 . 1 1 31 31 GLY H H 31 8.713 8.713 8.286 0.427 19391 5185 1 14 . 1 1 32 32 HIS N N 32 119.677 119.677 120.985 -1.308 19391 5186 1 14 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.694 -0.130 19391 5187 1 14 . 1 1 32 32 HIS C C 32 174.544 174.544 173.887 0.657 19391 5188 1 14 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.338 0.078 19391 5189 1 14 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.006 -1.419 19391 5190 1 14 . 1 1 32 32 HIS H H 32 8.304 8.304 7.568 0.736 19391 5191 1 14 . 1 1 33 33 ARG N N 33 124.677 124.677 118.666 6.011 19391 5192 1 14 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.802 -0.197 19391 5193 1 14 . 1 1 33 33 ARG C C 33 174.869 174.869 174.949 -0.080 19391 5194 1 14 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.977 0.785 19391 5195 1 14 . 1 1 33 33 ARG CB C 33 31.200 31.200 33.427 -2.227 19391 5196 1 14 . 1 1 33 33 ARG H H 33 8.731 8.731 8.404 0.327 19391 5197 1 14 . 1 1 34 34 ASP N N 34 124.378 124.378 121.910 2.468 19391 5198 1 14 . 1 1 34 34 ASP HA H 34 4.876 4.876 5.077 -0.201 19391 5199 1 14 . 1 1 34 34 ASP C C 34 174.057 174.057 174.682 -0.625 19391 5200 1 14 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.248 0.797 19391 5201 1 14 . 1 1 34 34 ASP CB C 34 43.852 43.852 44.925 -1.073 19391 5202 1 14 . 1 1 34 34 ASP H H 34 8.387 8.387 9.018 -0.631 19391 5203 1 14 . 1 1 35 35 VAL N N 35 121.095 121.095 120.561 0.534 19391 5204 1 14 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.607 0.143 19391 5205 1 14 . 1 1 35 35 VAL C C 35 173.600 173.600 174.563 -0.963 19391 5206 1 14 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.359 -0.002 19391 5207 1 14 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.009 1.069 19391 5208 1 14 . 1 1 35 35 VAL H H 35 8.023 8.023 8.389 -0.366 19391 5209 1 14 . 1 1 36 36 PHE N N 36 122.163 122.163 124.308 -2.145 19391 5210 1 14 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.787 0.811 19391 5211 1 14 . 1 1 36 36 PHE C C 36 174.164 174.164 173.808 0.356 19391 5212 1 14 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.309 -1.601 19391 5213 1 14 . 1 1 36 36 PHE CB C 36 43.978 43.978 43.154 0.824 19391 5214 1 14 . 1 1 36 36 PHE H H 36 8.710 8.710 8.428 0.282 19391 5215 1 14 . 1 1 37 37 TYR N N 37 116.406 116.406 117.042 -0.636 19391 5216 1 14 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.144 0.543 19391 5217 1 14 . 1 1 37 37 TYR C C 37 174.694 174.694 174.574 0.120 19391 5218 1 14 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.082 0.782 19391 5219 1 14 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.914 1.563 19391 5220 1 14 . 1 1 37 37 TYR H H 37 8.552 8.552 8.237 0.315 19391 5221 1 14 . 1 1 38 38 TYR N N 38 118.594 118.594 120.957 -2.363 19391 5222 1 14 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.276 0.468 19391 5223 1 14 . 1 1 38 38 TYR C C 38 175.481 175.481 175.910 -0.429 19391 5224 1 14 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.754 -0.804 19391 5225 1 14 . 1 1 38 38 TYR CB C 38 42.287 42.287 40.627 1.660 19391 5226 1 14 . 1 1 38 38 TYR H H 38 9.445 9.445 9.127 0.318 19391 5227 1 14 . 1 1 39 39 SER N N 39 118.327 118.327 120.038 -1.711 19391 5228 1 14 . 1 1 39 39 SER HA H 39 2.098 2.098 3.887 -1.789 19391 5229 1 14 . 1 1 39 39 SER C C 39 174.399 174.399 173.743 0.656 19391 5230 1 14 . 1 1 39 39 SER CA C 39 55.375 55.375 55.062 0.312 19391 5231 1 14 . 1 1 39 39 SER CB C 39 62.873 62.873 60.948 1.925 19391 5232 1 14 . 1 1 39 39 SER H H 39 8.808 8.808 8.195 0.613 19391 5233 1 14 . 1 1 41 41 SER HA H 41 4.452 4.452 4.396 0.056 19391 5234 1 14 . 1 1 41 41 SER C C 41 174.963 174.963 175.148 -0.185 19391 5235 1 14 . 1 1 41 41 SER CA C 41 57.861 57.861 57.780 0.081 19391 5236 1 14 . 1 1 41 41 SER CB C 41 63.763 63.763 63.205 0.558 19391 5237 1 14 . 1 1 42 42 GLY N N 42 111.741 111.741 110.016 1.725 19391 5238 1 14 . 1 1 42 42 GLY C C 42 173.938 173.938 173.829 0.109 19391 5239 1 14 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.703 -0.274 19391 5240 1 14 . 1 1 42 42 GLY H H 42 8.292 8.292 7.844 0.448 19391 5241 1 14 . 1 1 43 43 LYS N N 43 122.381 122.381 120.706 1.675 19391 5242 1 14 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.142 -0.051 19391 5243 1 14 . 1 1 43 43 LYS C C 43 174.049 174.049 176.224 -2.175 19391 5244 1 14 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.856 -0.347 19391 5245 1 14 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.017 -0.227 19391 5246 1 14 . 1 1 43 43 LYS H H 43 7.361 7.361 7.923 -0.562 19391 5247 1 14 . 1 1 44 44 LYS N N 44 125.831 125.831 125.915 -0.084 19391 5248 1 14 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.744 -0.250 19391 5249 1 14 . 1 1 44 44 LYS C C 44 175.970 175.970 176.066 -0.096 19391 5250 1 14 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.379 0.330 19391 5251 1 14 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.589 3.051 19391 5252 1 14 . 1 1 44 44 LYS H H 44 8.078 8.078 8.343 -0.265 19391 5253 1 14 . 1 1 45 45 PHE N N 45 124.636 124.636 120.692 3.944 19391 5254 1 14 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.050 -0.268 19391 5255 1 14 . 1 1 45 45 PHE C C 45 176.205 176.205 173.849 2.356 19391 5256 1 14 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.225 1.728 19391 5257 1 14 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.068 0.908 19391 5258 1 14 . 1 1 45 45 PHE H H 45 9.707 9.707 8.034 1.673 19391 5259 1 14 . 1 1 46 46 ARG N N 46 117.959 117.959 120.704 -2.745 19391 5260 1 14 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.841 0.559 19391 5261 1 14 . 1 1 46 46 ARG C C 46 175.059 175.059 174.469 0.590 19391 5262 1 14 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.641 -0.319 19391 5263 1 14 . 1 1 46 46 ARG CB C 46 33.383 33.383 29.864 3.519 19391 5264 1 14 . 1 1 46 46 ARG H H 46 9.430 9.430 8.944 0.486 19391 5265 1 14 . 1 1 47 47 SER N N 47 115.115 115.115 115.978 -0.863 19391 5266 1 14 . 1 1 47 47 SER HA H 47 4.069 4.069 4.209 -0.140 19391 5267 1 14 . 1 1 47 47 SER C C 47 172.762 172.762 174.815 -2.053 19391 5268 1 14 . 1 1 47 47 SER CA C 47 56.797 56.797 56.921 -0.124 19391 5269 1 14 . 1 1 47 47 SER CB C 47 66.892 66.892 64.919 1.973 19391 5270 1 14 . 1 1 47 47 SER H H 47 7.926 7.926 8.159 -0.233 19391 5271 1 14 . 1 1 48 48 LYS N N 48 122.914 122.914 128.972 -6.058 19391 5272 1 14 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.485 -0.386 19391 5273 1 14 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.508 1.062 19391 5274 1 14 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.765 -0.515 19391 5275 1 14 . 1 1 48 48 LYS H H 48 8.994 8.994 8.768 0.226 19391 5276 1 14 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.250 0.134 19391 5277 1 14 . 1 1 49 49 PRO C C 49 179.505 179.505 179.033 0.472 19391 5278 1 14 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.654 0.608 19391 5279 1 14 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.184 0.070 19391 5280 1 14 . 1 1 50 50 GLN N N 50 116.141 116.141 118.091 -1.950 19391 5281 1 14 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.125 0.034 19391 5282 1 14 . 1 1 50 50 GLN C C 50 179.539 179.539 178.082 1.457 19391 5283 1 14 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.792 0.421 19391 5284 1 14 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.187 1.178 19391 5285 1 14 . 1 1 50 50 GLN H H 50 7.333 7.333 8.268 -0.935 19391 5286 1 14 . 1 1 51 51 LEU N N 51 122.318 122.318 120.384 1.934 19391 5287 1 14 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.574 0.238 19391 5288 1 14 . 1 1 51 51 LEU C C 51 177.948 177.948 178.147 -0.199 19391 5289 1 14 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.276 0.868 19391 5290 1 14 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.649 1.802 19391 5291 1 14 . 1 1 51 51 LEU H H 51 7.957 7.957 7.523 0.434 19391 5292 1 14 . 1 1 52 52 ALA N N 52 120.627 120.627 120.984 -0.357 19391 5293 1 14 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.883 0.027 19391 5294 1 14 . 1 1 52 52 ALA C C 52 181.360 181.360 179.349 2.011 19391 5295 1 14 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.953 -0.059 19391 5296 1 14 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.165 0.021 19391 5297 1 14 . 1 1 52 52 ALA H H 52 9.134 9.134 7.780 1.354 19391 5298 1 14 . 1 1 53 53 ARG N N 53 118.087 118.087 119.839 -1.752 19391 5299 1 14 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.967 0.143 19391 5300 1 14 . 1 1 53 53 ARG C C 53 178.186 178.186 178.820 -0.634 19391 5301 1 14 . 1 1 53 53 ARG CA C 53 59.296 59.296 58.800 0.496 19391 5302 1 14 . 1 1 53 53 ARG CB C 53 30.555 30.555 29.974 0.581 19391 5303 1 14 . 1 1 53 53 ARG H H 53 8.095 8.095 7.783 0.312 19391 5304 1 14 . 1 1 54 54 TYR N N 54 119.692 119.692 120.817 -1.125 19391 5305 1 14 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.244 0.133 19391 5306 1 14 . 1 1 54 54 TYR C C 54 177.809 177.809 177.541 0.268 19391 5307 1 14 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.243 0.099 19391 5308 1 14 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.756 1.643 19391 5309 1 14 . 1 1 54 54 TYR H H 54 7.584 7.584 7.693 -0.109 19391 5310 1 14 . 1 1 55 55 LEU N N 55 117.313 117.313 116.200 1.113 19391 5311 1 14 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.235 -0.080 19391 5312 1 14 . 1 1 55 55 LEU C C 55 178.784 178.784 177.051 1.733 19391 5313 1 14 . 1 1 55 55 LEU CA C 55 55.788 55.788 55.198 0.590 19391 5314 1 14 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.360 1.423 19391 5315 1 14 . 1 1 55 55 LEU H H 55 8.279 8.279 7.722 0.557 19391 5316 1 14 . 1 1 56 56 GLY N N 56 108.526 108.526 106.564 1.962 19391 5317 1 14 . 1 1 56 56 GLY C C 56 174.749 174.749 175.473 -0.724 19391 5318 1 14 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.153 1.598 19391 5319 1 14 . 1 1 56 56 GLY H H 56 7.911 7.911 7.532 0.379 19391 5320 1 14 . 1 1 57 57 GLY N N 57 109.514 109.514 107.949 1.565 19391 5321 1 14 . 1 1 57 57 GLY C C 57 175.034 175.034 175.388 -0.354 19391 5322 1 14 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.988 -0.340 19391 5323 1 14 . 1 1 57 57 GLY H H 57 8.644 8.644 7.927 0.717 19391 5324 1 14 . 1 1 58 58 SER N N 58 114.666 114.666 113.093 1.573 19391 5325 1 14 . 1 1 58 58 SER HA H 58 4.355 4.355 4.326 0.029 19391 5326 1 14 . 1 1 58 58 SER C C 58 173.748 173.748 174.517 -0.769 19391 5327 1 14 . 1 1 58 58 SER CA C 58 60.013 60.013 59.281 0.733 19391 5328 1 14 . 1 1 58 58 SER CB C 58 64.173 64.173 64.571 -0.398 19391 5329 1 14 . 1 1 58 58 SER H H 58 8.058 8.058 7.779 0.279 19391 5330 1 14 . 1 1 59 59 MET N N 59 118.467 118.467 120.099 -1.632 19391 5331 1 14 . 1 1 59 59 MET HA H 59 4.475 4.475 4.551 -0.076 19391 5332 1 14 . 1 1 59 59 MET C C 59 172.909 172.909 173.896 -0.987 19391 5333 1 14 . 1 1 59 59 MET CA C 59 56.185 56.185 55.061 1.124 19391 5334 1 14 . 1 1 59 59 MET CB C 59 35.552 35.552 35.995 -0.443 19391 5335 1 14 . 1 1 59 59 MET H H 59 7.442 7.442 7.103 0.339 19391 5336 1 14 . 1 1 60 60 ASP N N 60 121.779 121.779 124.082 -2.303 19391 5337 1 14 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.777 -0.083 19391 5338 1 14 . 1 1 60 60 ASP C C 60 176.867 176.867 175.764 1.103 19391 5339 1 14 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.976 -0.695 19391 5340 1 14 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.335 0.645 19391 5341 1 14 . 1 1 60 60 ASP H H 60 8.401 8.401 8.548 -0.147 19391 5342 1 14 . 1 1 61 61 LEU N N 61 126.474 126.474 126.734 -0.260 19391 5343 1 14 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.531 -0.137 19391 5344 1 14 . 1 1 61 61 LEU C C 61 178.536 178.536 178.263 0.273 19391 5345 1 14 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.896 -0.857 19391 5346 1 14 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.068 -0.455 19391 5347 1 14 . 1 1 61 61 LEU H H 61 9.015 9.015 8.451 0.564 19391 5348 1 14 . 1 1 62 62 SER N N 62 120.014 120.014 116.355 3.659 19391 5349 1 14 . 1 1 62 62 SER HA H 62 4.125 4.125 4.260 -0.135 19391 5350 1 14 . 1 1 62 62 SER C C 62 176.669 176.669 175.588 1.081 19391 5351 1 14 . 1 1 62 62 SER CA C 62 63.345 63.345 61.618 1.727 19391 5352 1 14 . 1 1 62 62 SER CB C 62 62.553 62.553 63.237 -0.684 19391 5353 1 14 . 1 1 62 62 SER H H 62 8.871 8.871 8.437 0.434 19391 5354 1 14 . 1 1 63 63 THR N N 63 110.495 110.495 110.277 0.218 19391 5355 1 14 . 1 1 63 63 THR HA H 63 4.510 4.510 4.361 0.149 19391 5356 1 14 . 1 1 63 63 THR C C 63 173.862 173.862 173.944 -0.082 19391 5357 1 14 . 1 1 63 63 THR CA C 63 61.006 61.006 62.192 -1.186 19391 5358 1 14 . 1 1 63 63 THR CB C 63 67.976 67.976 69.590 -1.614 19391 5359 1 14 . 1 1 63 63 THR H H 63 8.363 8.363 7.670 0.693 19391 5360 1 14 . 1 1 64 64 PHE N N 64 123.605 123.605 123.600 0.005 19391 5361 1 14 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.548 0.068 19391 5362 1 14 . 1 1 64 64 PHE C C 64 173.716 173.716 174.060 -0.344 19391 5363 1 14 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.495 0.522 19391 5364 1 14 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.156 0.788 19391 5365 1 14 . 1 1 64 64 PHE H H 64 7.472 7.472 8.033 -0.561 19391 5366 1 14 . 1 1 65 65 ASP N N 65 129.564 129.564 127.537 2.027 19391 5367 1 14 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.445 0.082 19391 5368 1 14 . 1 1 65 65 ASP C C 65 173.973 173.973 175.243 -1.270 19391 5369 1 14 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.611 -0.798 19391 5370 1 14 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.958 -0.009 19391 5371 1 14 . 1 1 65 65 ASP H H 65 8.574 8.574 8.062 0.512 19391 5372 1 14 . 1 1 66 66 PHE N N 66 128.221 128.221 125.958 2.263 19391 5373 1 14 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.294 -0.637 19391 5374 1 14 . 1 1 66 66 PHE C C 66 177.535 177.535 176.985 0.550 19391 5375 1 14 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.206 0.539 19391 5376 1 14 . 1 1 66 66 PHE CB C 66 41.242 41.242 40.136 1.106 19391 5377 1 14 . 1 1 66 66 PHE H H 66 8.886 8.886 8.553 0.333 19391 5378 1 14 . 1 1 67 67 ARG N N 67 116.246 116.246 120.286 -4.040 19391 5379 1 14 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.173 0.588 19391 5380 1 14 . 1 1 67 67 ARG C C 67 178.024 178.024 176.609 1.415 19391 5381 1 14 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.708 0.953 19391 5382 1 14 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.461 0.268 19391 5383 1 14 . 1 1 67 67 ARG H H 67 8.804 8.804 8.312 0.492 19391 5384 1 14 . 1 1 68 68 THR N N 68 105.409 105.409 106.928 -1.519 19391 5385 1 14 . 1 1 68 68 THR HA H 68 4.199 4.199 4.400 -0.201 19391 5386 1 14 . 1 1 68 68 THR C C 68 176.417 176.417 174.727 1.690 19391 5387 1 14 . 1 1 68 68 THR CA C 68 62.233 62.233 61.912 0.321 19391 5388 1 14 . 1 1 68 68 THR CB C 68 71.221 71.221 69.609 1.612 19391 5389 1 14 . 1 1 68 68 THR H H 68 7.407 7.407 7.718 -0.311 19391 5390 1 14 . 1 1 69 69 GLY N N 69 113.199 113.199 111.385 1.814 19391 5391 1 14 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.765 1.449 19391 5392 1 14 . 1 1 69 69 GLY H H 69 8.344 8.344 7.425 0.919 19391 5393 1 14 . 1 1 70 70 LYS N N 70 116.533 116.533 118.369 -1.836 19391 5394 1 14 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.859 -0.461 19391 5395 1 14 . 1 1 70 70 LYS C C 70 175.022 175.022 175.678 -0.656 19391 5396 1 14 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.112 0.500 19391 5397 1 14 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.102 -1.027 19391 5398 1 14 . 1 1 70 70 LYS H H 70 6.887 6.887 7.271 -0.384 19391 5399 1 14 . 1 1 71 71 MET N N 71 119.590 119.590 121.091 -1.501 19391 5400 1 14 . 1 1 71 71 MET HA H 71 4.770 4.770 4.802 -0.032 19391 5401 1 14 . 1 1 71 71 MET C C 71 175.810 175.810 176.144 -0.334 19391 5402 1 14 . 1 1 71 71 MET CA C 71 54.296 54.296 56.482 -2.186 19391 5403 1 14 . 1 1 71 71 MET CB C 71 32.118 32.118 33.696 -1.578 19391 5404 1 14 . 1 1 71 71 MET H H 71 8.423 8.423 8.734 -0.311 19391 5405 1 15 . 1 1 2 2 SER HA H 2 4.500 4.500 4.597 -0.097 19391 5406 1 15 . 1 1 2 2 SER C C 2 174.803 174.803 175.213 -0.410 19391 5407 1 15 . 1 1 2 2 SER CA C 2 58.624 58.624 57.981 0.643 19391 5408 1 15 . 1 1 2 2 SER CB C 2 63.986 63.986 63.798 0.188 19391 5409 1 15 . 1 1 3 3 MET N N 3 122.348 122.348 119.696 2.652 19391 5410 1 15 . 1 1 3 3 MET HA H 3 4.546 4.546 4.057 0.489 19391 5411 1 15 . 1 1 3 3 MET C C 3 175.969 175.969 175.421 0.548 19391 5412 1 15 . 1 1 3 3 MET CA C 3 55.560 55.560 57.138 -1.578 19391 5413 1 15 . 1 1 3 3 MET CB C 3 32.667 32.667 31.654 1.013 19391 5414 1 15 . 1 1 3 3 MET H H 3 8.636 8.636 7.870 0.766 19391 5415 1 15 . 1 1 4 4 GLU N N 4 121.792 121.792 120.095 1.697 19391 5416 1 15 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.193 0.110 19391 5417 1 15 . 1 1 4 4 GLU C C 4 175.884 175.884 176.072 -0.188 19391 5418 1 15 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.929 0.602 19391 5419 1 15 . 1 1 4 4 GLU CB C 4 30.594 30.594 29.096 1.498 19391 5420 1 15 . 1 1 4 4 GLU H H 4 8.337 8.337 8.495 -0.158 19391 5421 1 15 . 1 1 5 5 ARG N N 5 122.592 122.592 117.287 5.305 19391 5422 1 15 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.789 0.740 19391 5423 1 15 . 1 1 5 5 ARG C C 5 175.556 175.556 175.481 0.075 19391 5424 1 15 . 1 1 5 5 ARG CA C 5 56.007 56.007 57.313 -1.306 19391 5425 1 15 . 1 1 5 5 ARG CB C 5 31.177 31.177 29.670 1.507 19391 5426 1 15 . 1 1 5 5 ARG H H 5 8.319 8.319 7.881 0.438 19391 5427 1 15 . 1 1 6 6 LYS N N 6 123.750 123.750 122.335 1.415 19391 5428 1 15 . 1 1 6 6 LYS HA H 6 4.405 4.405 3.947 0.458 19391 5429 1 15 . 1 1 6 6 LYS C C 6 174.335 174.335 175.608 -1.273 19391 5430 1 15 . 1 1 6 6 LYS CA C 6 55.587 55.587 56.122 -0.535 19391 5431 1 15 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.866 1.832 19391 5432 1 15 . 1 1 6 6 LYS H H 6 8.372 8.372 8.016 0.356 19391 5433 1 15 . 1 1 7 7 ARG N N 7 121.789 121.789 119.208 2.581 19391 5434 1 15 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.656 0.369 19391 5435 1 15 . 1 1 7 7 ARG C C 7 174.998 174.998 174.368 0.630 19391 5436 1 15 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.470 0.407 19391 5437 1 15 . 1 1 7 7 ARG CB C 7 33.085 33.085 33.423 -0.338 19391 5438 1 15 . 1 1 7 7 ARG H H 7 7.894 7.894 7.584 0.310 19391 5439 1 15 . 1 1 8 8 TRP N N 8 122.774 122.774 121.645 1.129 19391 5440 1 15 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.913 0.058 19391 5441 1 15 . 1 1 8 8 TRP C C 8 175.679 175.679 174.384 1.295 19391 5442 1 15 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.961 0.381 19391 5443 1 15 . 1 1 8 8 TRP CB C 8 33.044 33.044 29.917 3.127 19391 5444 1 15 . 1 1 8 8 TRP H H 8 9.002 9.002 8.925 0.077 19391 5445 1 15 . 1 1 9 9 GLU N N 9 121.587 121.587 121.969 -0.382 19391 5446 1 15 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.696 -0.222 19391 5447 1 15 . 1 1 9 9 GLU C C 9 176.133 176.133 176.153 -0.020 19391 5448 1 15 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.838 1.649 19391 5449 1 15 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.713 -0.459 19391 5450 1 15 . 1 1 9 9 GLU H H 9 8.879 8.879 8.538 0.341 19391 5451 1 15 . 1 1 10 10 CYS N N 10 122.770 122.770 123.671 -0.901 19391 5452 1 15 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.896 0.329 19391 5453 1 15 . 1 1 10 10 CYS C C 10 173.480 173.480 175.825 -2.345 19391 5454 1 15 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.826 0.225 19391 5455 1 15 . 1 1 10 10 CYS CB C 10 28.275 28.275 28.250 0.025 19391 5456 1 15 . 1 1 10 10 CYS H H 10 8.351 8.351 8.838 -0.487 19391 5457 1 15 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.371 0.273 19391 5458 1 15 . 1 1 11 11 PRO C C 11 176.160 176.160 176.397 -0.237 19391 5459 1 15 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.475 0.289 19391 5460 1 15 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.716 0.489 19391 5461 1 15 . 1 1 12 12 ALA N N 12 118.459 118.459 119.218 -0.759 19391 5462 1 15 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.265 -0.001 19391 5463 1 15 . 1 1 12 12 ALA C C 12 176.998 176.998 176.956 0.042 19391 5464 1 15 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.376 0.798 19391 5465 1 15 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.573 0.623 19391 5466 1 15 . 1 1 12 12 ALA H H 12 7.635 7.635 7.698 -0.063 19391 5467 1 15 . 1 1 13 13 LEU N N 13 117.171 117.171 120.323 -3.152 19391 5468 1 15 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.385 -0.070 19391 5469 1 15 . 1 1 13 13 LEU C C 13 173.277 173.277 174.725 -1.448 19391 5470 1 15 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.544 0.613 19391 5471 1 15 . 1 1 13 13 LEU CB C 13 40.980 40.980 42.247 -1.267 19391 5472 1 15 . 1 1 13 13 LEU H H 13 7.449 7.449 7.123 0.326 19391 5473 1 15 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.535 -0.101 19391 5474 1 15 . 1 1 14 14 PRO C C 14 174.999 174.999 176.208 -1.209 19391 5475 1 15 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.162 0.536 19391 5476 1 15 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.384 -0.573 19391 5477 1 15 . 1 1 15 15 GLN N N 15 120.091 120.091 121.312 -1.221 19391 5478 1 15 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.112 0.037 19391 5479 1 15 . 1 1 15 15 GLN C C 15 177.099 177.099 176.931 0.168 19391 5480 1 15 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.407 0.926 19391 5481 1 15 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.391 0.465 19391 5482 1 15 . 1 1 15 15 GLN H H 15 8.368 8.368 8.448 -0.080 19391 5483 1 15 . 1 1 16 16 GLY N N 16 113.023 113.023 111.570 1.453 19391 5484 1 15 . 1 1 16 16 GLY C C 16 174.735 174.735 174.463 0.272 19391 5485 1 15 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.560 0.733 19391 5486 1 15 . 1 1 16 16 GLY H H 16 8.828 8.828 8.894 -0.066 19391 5487 1 15 . 1 1 17 17 TRP N N 17 121.152 121.152 121.297 -0.145 19391 5488 1 15 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.203 -0.386 19391 5489 1 15 . 1 1 17 17 TRP C C 17 177.275 177.275 176.567 0.708 19391 5490 1 15 . 1 1 17 17 TRP CA C 17 59.153 59.153 56.882 2.271 19391 5491 1 15 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.211 0.079 19391 5492 1 15 . 1 1 17 17 TRP H H 17 8.006 8.006 8.005 0.001 19391 5493 1 15 . 1 1 18 18 GLU N N 18 120.147 120.147 120.591 -0.444 19391 5494 1 15 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.976 0.279 19391 5495 1 15 . 1 1 18 18 GLU C C 18 174.373 174.373 174.696 -0.323 19391 5496 1 15 . 1 1 18 18 GLU CA C 18 55.091 55.091 54.797 0.294 19391 5497 1 15 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.184 1.191 19391 5498 1 15 . 1 1 18 18 GLU H H 18 8.934 8.934 8.644 0.290 19391 5499 1 15 . 1 1 19 19 ARG N N 19 122.215 122.215 124.061 -1.846 19391 5500 1 15 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.099 -0.093 19391 5501 1 15 . 1 1 19 19 ARG C C 19 174.040 174.040 174.263 -0.223 19391 5502 1 15 . 1 1 19 19 ARG CA C 19 54.366 54.366 55.114 -0.748 19391 5503 1 15 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.636 1.254 19391 5504 1 15 . 1 1 19 19 ARG H H 19 9.300 9.300 8.557 0.743 19391 5505 1 15 . 1 1 20 20 GLU N N 20 127.885 127.885 124.991 2.894 19391 5506 1 15 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.861 0.424 19391 5507 1 15 . 1 1 20 20 GLU C C 20 173.582 173.582 174.263 -0.681 19391 5508 1 15 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.808 -0.354 19391 5509 1 15 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.640 2.932 19391 5510 1 15 . 1 1 20 20 GLU H H 20 9.460 9.460 8.337 1.123 19391 5511 1 15 . 1 1 21 21 GLU N N 21 123.590 123.590 124.155 -0.565 19391 5512 1 15 . 1 1 21 21 GLU HA H 21 5.318 5.318 5.043 0.275 19391 5513 1 15 . 1 1 21 21 GLU C C 21 176.091 176.091 175.058 1.033 19391 5514 1 15 . 1 1 21 21 GLU CA C 21 54.458 54.458 54.941 -0.483 19391 5515 1 15 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.268 0.584 19391 5516 1 15 . 1 1 21 21 GLU H H 21 8.580 8.580 8.741 -0.161 19391 5517 1 15 . 1 1 22 22 VAL N N 22 123.718 123.718 122.657 1.061 19391 5518 1 15 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.630 0.138 19391 5519 1 15 . 1 1 22 22 VAL C C 22 169.573 169.573 173.361 -3.788 19391 5520 1 15 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.860 0.129 19391 5521 1 15 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.969 0.290 19391 5522 1 15 . 1 1 22 22 VAL H H 22 9.177 9.177 8.818 0.359 19391 5523 1 15 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.673 0.082 19391 5524 1 15 . 1 1 23 23 PRO C C 23 176.679 176.679 176.025 0.654 19391 5525 1 15 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.152 0.312 19391 5526 1 15 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.385 -0.287 19391 5527 1 15 . 1 1 24 24 ARG N N 24 123.629 123.629 124.274 -0.645 19391 5528 1 15 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.588 -0.100 19391 5529 1 15 . 1 1 24 24 ARG C C 24 177.926 177.926 176.086 1.840 19391 5530 1 15 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.773 0.657 19391 5531 1 15 . 1 1 24 24 ARG CB C 24 30.988 30.988 32.112 -1.124 19391 5532 1 15 . 1 1 24 24 ARG H H 24 8.726 8.726 8.428 0.298 19391 5533 1 15 . 1 1 25 25 ARG N N 25 124.327 124.327 120.142 4.185 19391 5534 1 15 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.547 -0.204 19391 5535 1 15 . 1 1 25 25 ARG C C 25 176.213 176.213 176.172 0.041 19391 5536 1 15 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.276 2.194 19391 5537 1 15 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.148 0.059 19391 5538 1 15 . 1 1 25 25 ARG H H 25 9.070 9.070 8.601 0.469 19391 5539 1 15 . 1 1 26 26 SER N N 26 114.348 114.348 115.253 -0.905 19391 5540 1 15 . 1 1 26 26 SER HA H 26 4.652 4.652 4.196 0.456 19391 5541 1 15 . 1 1 26 26 SER C C 26 173.704 173.704 175.137 -1.433 19391 5542 1 15 . 1 1 26 26 SER CA C 26 57.727 57.727 59.681 -1.954 19391 5543 1 15 . 1 1 26 26 SER CB C 26 65.099 65.099 63.475 1.624 19391 5544 1 15 . 1 1 26 26 SER H H 26 8.071 8.071 8.424 -0.353 19391 5545 1 15 . 1 1 27 27 GLY N N 27 108.224 108.224 107.314 0.910 19391 5546 1 15 . 1 1 27 27 GLY C C 27 175.321 175.321 174.972 0.349 19391 5547 1 15 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.401 0.762 19391 5548 1 15 . 1 1 27 27 GLY H H 27 8.433 8.433 8.171 0.262 19391 5549 1 15 . 1 1 28 28 LEU N N 28 122.251 122.251 121.188 1.063 19391 5550 1 15 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.101 0.148 19391 5551 1 15 . 1 1 28 28 LEU C C 28 178.691 178.691 178.407 0.284 19391 5552 1 15 . 1 1 28 28 LEU CA C 28 56.793 56.793 57.024 -0.231 19391 5553 1 15 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.092 0.091 19391 5554 1 15 . 1 1 28 28 LEU H H 28 8.752 8.752 8.525 0.227 19391 5555 1 15 . 1 1 29 29 SER N N 29 113.375 113.375 114.864 -1.489 19391 5556 1 15 . 1 1 29 29 SER HA H 29 4.440 4.440 3.718 0.722 19391 5557 1 15 . 1 1 29 29 SER C C 29 173.707 173.707 173.665 0.042 19391 5558 1 15 . 1 1 29 29 SER CA C 29 57.782 57.782 57.635 0.147 19391 5559 1 15 . 1 1 29 29 SER CB C 29 63.353 63.353 61.606 1.747 19391 5560 1 15 . 1 1 29 29 SER H H 29 8.397 8.397 8.215 0.182 19391 5561 1 15 . 1 1 30 30 ALA N N 30 124.539 124.539 122.031 2.508 19391 5562 1 15 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.472 -0.560 19391 5563 1 15 . 1 1 30 30 ALA C C 30 178.198 178.198 179.076 -0.878 19391 5564 1 15 . 1 1 30 30 ALA CA C 30 53.576 53.576 52.682 0.894 19391 5565 1 15 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.529 -1.107 19391 5566 1 15 . 1 1 30 30 ALA H H 30 7.623 7.623 7.595 0.028 19391 5567 1 15 . 1 1 31 31 GLY N N 31 109.642 109.642 111.225 -1.583 19391 5568 1 15 . 1 1 31 31 GLY C C 31 174.534 174.534 174.333 0.201 19391 5569 1 15 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.964 -0.722 19391 5570 1 15 . 1 1 31 31 GLY H H 31 8.713 8.713 8.809 -0.096 19391 5571 1 15 . 1 1 32 32 HIS N N 32 119.677 119.677 120.788 -1.111 19391 5572 1 15 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.475 0.089 19391 5573 1 15 . 1 1 32 32 HIS C C 32 174.544 174.544 174.675 -0.131 19391 5574 1 15 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.980 -0.564 19391 5575 1 15 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.003 -0.417 19391 5576 1 15 . 1 1 32 32 HIS H H 32 8.304 8.304 7.955 0.349 19391 5577 1 15 . 1 1 33 33 ARG N N 33 124.677 124.677 124.949 -0.272 19391 5578 1 15 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.719 -0.114 19391 5579 1 15 . 1 1 33 33 ARG C C 33 174.869 174.869 175.761 -0.892 19391 5580 1 15 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.160 1.602 19391 5581 1 15 . 1 1 33 33 ARG CB C 33 31.200 31.200 30.267 0.933 19391 5582 1 15 . 1 1 33 33 ARG H H 33 8.731 8.731 8.589 0.142 19391 5583 1 15 . 1 1 34 34 ASP N N 34 124.378 124.378 124.869 -0.491 19391 5584 1 15 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.609 0.267 19391 5585 1 15 . 1 1 34 34 ASP C C 34 174.057 174.057 174.796 -0.739 19391 5586 1 15 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.478 0.567 19391 5587 1 15 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.830 1.022 19391 5588 1 15 . 1 1 34 34 ASP H H 34 8.387 8.387 8.241 0.146 19391 5589 1 15 . 1 1 35 35 VAL N N 35 121.095 121.095 123.224 -2.129 19391 5590 1 15 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.119 0.631 19391 5591 1 15 . 1 1 35 35 VAL C C 35 173.600 173.600 174.699 -1.099 19391 5592 1 15 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.309 0.048 19391 5593 1 15 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.682 1.396 19391 5594 1 15 . 1 1 35 35 VAL H H 35 8.023 8.023 7.948 0.075 19391 5595 1 15 . 1 1 36 36 PHE N N 36 122.163 122.163 125.926 -3.763 19391 5596 1 15 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.584 1.014 19391 5597 1 15 . 1 1 36 36 PHE C C 36 174.164 174.164 174.010 0.154 19391 5598 1 15 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.646 -1.938 19391 5599 1 15 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.757 1.221 19391 5600 1 15 . 1 1 36 36 PHE H H 36 8.710 8.710 8.478 0.232 19391 5601 1 15 . 1 1 37 37 TYR N N 37 116.406 116.406 118.913 -2.507 19391 5602 1 15 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.131 0.556 19391 5603 1 15 . 1 1 37 37 TYR C C 37 174.694 174.694 174.572 0.122 19391 5604 1 15 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.098 0.766 19391 5605 1 15 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.201 3.276 19391 5606 1 15 . 1 1 37 37 TYR H H 37 8.552 8.552 8.207 0.345 19391 5607 1 15 . 1 1 38 38 TYR N N 38 118.594 118.594 120.424 -1.830 19391 5608 1 15 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.469 0.275 19391 5609 1 15 . 1 1 38 38 TYR C C 38 175.481 175.481 175.774 -0.293 19391 5610 1 15 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.288 -0.338 19391 5611 1 15 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.639 0.648 19391 5612 1 15 . 1 1 38 38 TYR H H 38 9.445 9.445 9.230 0.215 19391 5613 1 15 . 1 1 39 39 SER N N 39 118.327 118.327 118.538 -0.211 19391 5614 1 15 . 1 1 39 39 SER HA H 39 2.098 2.098 3.969 -1.871 19391 5615 1 15 . 1 1 39 39 SER C C 39 174.399 174.399 174.458 -0.059 19391 5616 1 15 . 1 1 39 39 SER CA C 39 55.375 55.375 54.671 0.704 19391 5617 1 15 . 1 1 39 39 SER CB C 39 62.873 62.873 63.201 -0.328 19391 5618 1 15 . 1 1 39 39 SER H H 39 8.808 8.808 8.293 0.515 19391 5619 1 15 . 1 1 41 41 SER HA H 41 4.452 4.452 4.506 -0.054 19391 5620 1 15 . 1 1 41 41 SER C C 41 174.963 174.963 174.985 -0.022 19391 5621 1 15 . 1 1 41 41 SER CA C 41 57.861 57.861 58.479 -0.618 19391 5622 1 15 . 1 1 41 41 SER CB C 41 63.763 63.763 63.461 0.302 19391 5623 1 15 . 1 1 42 42 GLY N N 42 111.741 111.741 109.485 2.256 19391 5624 1 15 . 1 1 42 42 GLY C C 42 173.938 173.938 173.355 0.583 19391 5625 1 15 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.072 0.357 19391 5626 1 15 . 1 1 42 42 GLY H H 42 8.292 8.292 7.906 0.386 19391 5627 1 15 . 1 1 43 43 LYS N N 43 122.381 122.381 121.260 1.121 19391 5628 1 15 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.233 -0.142 19391 5629 1 15 . 1 1 43 43 LYS C C 43 174.049 174.049 176.070 -2.021 19391 5630 1 15 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.340 0.169 19391 5631 1 15 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.061 -0.271 19391 5632 1 15 . 1 1 43 43 LYS H H 43 7.361 7.361 7.480 -0.119 19391 5633 1 15 . 1 1 44 44 LYS N N 44 125.831 125.831 126.123 -0.292 19391 5634 1 15 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.655 -0.161 19391 5635 1 15 . 1 1 44 44 LYS C C 44 175.970 175.970 176.183 -0.213 19391 5636 1 15 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.623 0.086 19391 5637 1 15 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.894 2.746 19391 5638 1 15 . 1 1 44 44 LYS H H 44 8.078 8.078 8.448 -0.370 19391 5639 1 15 . 1 1 45 45 PHE N N 45 124.636 124.636 121.602 3.034 19391 5640 1 15 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.026 -0.244 19391 5641 1 15 . 1 1 45 45 PHE C C 45 176.205 176.205 173.622 2.583 19391 5642 1 15 . 1 1 45 45 PHE CA C 45 57.953 57.953 55.923 2.030 19391 5643 1 15 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.145 0.831 19391 5644 1 15 . 1 1 45 45 PHE H H 45 9.707 9.707 7.940 1.767 19391 5645 1 15 . 1 1 46 46 ARG N N 46 117.959 117.959 119.934 -1.975 19391 5646 1 15 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.910 0.490 19391 5647 1 15 . 1 1 46 46 ARG C C 46 175.059 175.059 174.526 0.533 19391 5648 1 15 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.930 -0.608 19391 5649 1 15 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.803 2.580 19391 5650 1 15 . 1 1 46 46 ARG H H 46 9.430 9.430 8.869 0.561 19391 5651 1 15 . 1 1 47 47 SER N N 47 115.115 115.115 117.599 -2.484 19391 5652 1 15 . 1 1 47 47 SER HA H 47 4.069 4.069 4.432 -0.363 19391 5653 1 15 . 1 1 47 47 SER C C 47 172.762 172.762 174.421 -1.659 19391 5654 1 15 . 1 1 47 47 SER CA C 47 56.797 56.797 57.519 -0.722 19391 5655 1 15 . 1 1 47 47 SER CB C 47 66.892 66.892 65.963 0.929 19391 5656 1 15 . 1 1 47 47 SER H H 47 7.926 7.926 8.283 -0.357 19391 5657 1 15 . 1 1 48 48 LYS N N 48 122.914 122.914 126.206 -3.292 19391 5658 1 15 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.291 -0.192 19391 5659 1 15 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.898 1.672 19391 5660 1 15 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.393 -0.143 19391 5661 1 15 . 1 1 48 48 LYS H H 48 8.994 8.994 8.404 0.590 19391 5662 1 15 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.250 0.134 19391 5663 1 15 . 1 1 49 49 PRO C C 49 179.505 179.505 179.014 0.491 19391 5664 1 15 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.820 0.442 19391 5665 1 15 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.366 -0.112 19391 5666 1 15 . 1 1 50 50 GLN N N 50 116.141 116.141 117.430 -1.289 19391 5667 1 15 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.144 0.015 19391 5668 1 15 . 1 1 50 50 GLN C C 50 179.539 179.539 178.412 1.127 19391 5669 1 15 . 1 1 50 50 GLN CA C 50 59.213 59.213 59.139 0.074 19391 5670 1 15 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.285 1.080 19391 5671 1 15 . 1 1 50 50 GLN H H 50 7.333 7.333 8.394 -1.061 19391 5672 1 15 . 1 1 51 51 LEU N N 51 122.318 122.318 120.319 1.999 19391 5673 1 15 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.042 -0.230 19391 5674 1 15 . 1 1 51 51 LEU C C 51 177.948 177.948 178.876 -0.928 19391 5675 1 15 . 1 1 51 51 LEU CA C 51 58.144 58.144 58.032 0.112 19391 5676 1 15 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.383 2.068 19391 5677 1 15 . 1 1 51 51 LEU H H 51 7.957 7.957 7.713 0.244 19391 5678 1 15 . 1 1 52 52 ALA N N 52 120.627 120.627 122.105 -1.478 19391 5679 1 15 . 1 1 52 52 ALA HA H 52 3.910 3.910 4.055 -0.145 19391 5680 1 15 . 1 1 52 52 ALA C C 52 181.360 181.360 179.739 1.621 19391 5681 1 15 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.873 0.021 19391 5682 1 15 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.651 -0.465 19391 5683 1 15 . 1 1 52 52 ALA H H 52 9.134 9.134 8.169 0.965 19391 5684 1 15 . 1 1 53 53 ARG N N 53 118.087 118.087 117.994 0.093 19391 5685 1 15 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.994 0.116 19391 5686 1 15 . 1 1 53 53 ARG C C 53 178.186 178.186 178.714 -0.528 19391 5687 1 15 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.142 0.154 19391 5688 1 15 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.378 0.177 19391 5689 1 15 . 1 1 53 53 ARG H H 53 8.095 8.095 8.381 -0.286 19391 5690 1 15 . 1 1 54 54 TYR N N 54 119.692 119.692 118.790 0.902 19391 5691 1 15 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.381 -0.004 19391 5692 1 15 . 1 1 54 54 TYR C C 54 177.809 177.809 176.673 1.136 19391 5693 1 15 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.876 0.466 19391 5694 1 15 . 1 1 54 54 TYR CB C 54 40.399 40.399 39.968 0.431 19391 5695 1 15 . 1 1 54 54 TYR H H 54 7.584 7.584 7.865 -0.281 19391 5696 1 15 . 1 1 55 55 LEU N N 55 117.313 117.313 117.221 0.092 19391 5697 1 15 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.455 -0.300 19391 5698 1 15 . 1 1 55 55 LEU C C 55 178.784 178.784 178.358 0.426 19391 5699 1 15 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.253 1.535 19391 5700 1 15 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.420 1.363 19391 5701 1 15 . 1 1 55 55 LEU H H 55 8.279 8.279 8.483 -0.204 19391 5702 1 15 . 1 1 56 56 GLY N N 56 108.526 108.526 109.691 -1.165 19391 5703 1 15 . 1 1 56 56 GLY C C 56 174.749 174.749 176.423 -1.674 19391 5704 1 15 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.999 -1.248 19391 5705 1 15 . 1 1 56 56 GLY H H 56 7.911 7.911 8.460 -0.549 19391 5706 1 15 . 1 1 57 57 GLY N N 57 109.514 109.514 109.507 0.007 19391 5707 1 15 . 1 1 57 57 GLY C C 57 175.034 175.034 175.957 -0.923 19391 5708 1 15 . 1 1 57 57 GLY CA C 57 45.648 45.648 46.733 -1.085 19391 5709 1 15 . 1 1 57 57 GLY H H 57 8.644 8.644 8.508 0.136 19391 5710 1 15 . 1 1 58 58 SER N N 58 114.666 114.666 115.217 -0.551 19391 5711 1 15 . 1 1 58 58 SER HA H 58 4.355 4.355 4.164 0.191 19391 5712 1 15 . 1 1 58 58 SER C C 58 173.748 173.748 174.591 -0.843 19391 5713 1 15 . 1 1 58 58 SER CA C 58 60.013 60.013 60.347 -0.334 19391 5714 1 15 . 1 1 58 58 SER CB C 58 64.173 64.173 63.712 0.461 19391 5715 1 15 . 1 1 58 58 SER H H 58 8.058 8.058 8.019 0.039 19391 5716 1 15 . 1 1 59 59 MET N N 59 118.467 118.467 117.466 1.001 19391 5717 1 15 . 1 1 59 59 MET HA H 59 4.475 4.475 4.492 -0.017 19391 5718 1 15 . 1 1 59 59 MET C C 59 172.909 172.909 173.183 -0.274 19391 5719 1 15 . 1 1 59 59 MET CA C 59 56.185 56.185 54.760 1.425 19391 5720 1 15 . 1 1 59 59 MET CB C 59 35.552 35.552 37.050 -1.498 19391 5721 1 15 . 1 1 59 59 MET H H 59 7.442 7.442 8.280 -0.838 19391 5722 1 15 . 1 1 60 60 ASP N N 60 121.779 121.779 121.505 0.274 19391 5723 1 15 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.800 -0.106 19391 5724 1 15 . 1 1 60 60 ASP C C 60 176.867 176.867 175.439 1.428 19391 5725 1 15 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.558 -0.277 19391 5726 1 15 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.901 0.078 19391 5727 1 15 . 1 1 60 60 ASP H H 60 8.401 8.401 8.423 -0.022 19391 5728 1 15 . 1 1 61 61 LEU N N 61 126.474 126.474 125.804 0.670 19391 5729 1 15 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.632 -0.238 19391 5730 1 15 . 1 1 61 61 LEU C C 61 178.536 178.536 178.321 0.215 19391 5731 1 15 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.325 -0.286 19391 5732 1 15 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.916 -0.303 19391 5733 1 15 . 1 1 61 61 LEU H H 61 9.015 9.015 8.498 0.517 19391 5734 1 15 . 1 1 62 62 SER N N 62 120.014 120.014 117.751 2.263 19391 5735 1 15 . 1 1 62 62 SER HA H 62 4.125 4.125 4.180 -0.055 19391 5736 1 15 . 1 1 62 62 SER C C 62 176.669 176.669 175.846 0.823 19391 5737 1 15 . 1 1 62 62 SER CA C 62 63.345 63.345 61.660 1.685 19391 5738 1 15 . 1 1 62 62 SER CB C 62 62.553 62.553 62.704 -0.151 19391 5739 1 15 . 1 1 62 62 SER H H 62 8.871 8.871 8.775 0.096 19391 5740 1 15 . 1 1 63 63 THR N N 63 110.495 110.495 112.120 -1.625 19391 5741 1 15 . 1 1 63 63 THR HA H 63 4.510 4.510 4.310 0.200 19391 5742 1 15 . 1 1 63 63 THR C C 63 173.862 173.862 174.177 -0.315 19391 5743 1 15 . 1 1 63 63 THR CA C 63 61.006 61.006 61.927 -0.921 19391 5744 1 15 . 1 1 63 63 THR CB C 63 67.976 67.976 68.572 -0.596 19391 5745 1 15 . 1 1 63 63 THR H H 63 8.363 8.363 7.807 0.556 19391 5746 1 15 . 1 1 64 64 PHE N N 64 123.605 123.605 124.266 -0.661 19391 5747 1 15 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.515 0.101 19391 5748 1 15 . 1 1 64 64 PHE C C 64 173.716 173.716 173.294 0.422 19391 5749 1 15 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.515 0.502 19391 5750 1 15 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.434 -0.491 19391 5751 1 15 . 1 1 64 64 PHE H H 64 7.472 7.472 8.348 -0.876 19391 5752 1 15 . 1 1 65 65 ASP N N 65 129.564 129.564 126.526 3.038 19391 5753 1 15 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.461 0.066 19391 5754 1 15 . 1 1 65 65 ASP C C 65 173.973 173.973 175.648 -1.675 19391 5755 1 15 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.691 0.123 19391 5756 1 15 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.533 0.415 19391 5757 1 15 . 1 1 65 65 ASP H H 65 8.574 8.574 8.396 0.178 19391 5758 1 15 . 1 1 66 66 PHE N N 66 128.221 128.221 128.635 -0.414 19391 5759 1 15 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.403 -0.746 19391 5760 1 15 . 1 1 66 66 PHE C C 66 177.535 177.535 176.961 0.574 19391 5761 1 15 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.668 1.078 19391 5762 1 15 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.950 1.292 19391 5763 1 15 . 1 1 66 66 PHE H H 66 8.886 8.886 8.619 0.267 19391 5764 1 15 . 1 1 67 67 ARG N N 67 116.246 116.246 117.243 -0.997 19391 5765 1 15 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.000 0.761 19391 5766 1 15 . 1 1 67 67 ARG C C 67 178.024 178.024 177.197 0.827 19391 5767 1 15 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.833 0.828 19391 5768 1 15 . 1 1 67 67 ARG CB C 67 29.729 29.729 30.183 -0.454 19391 5769 1 15 . 1 1 67 67 ARG H H 67 8.804 8.804 8.127 0.677 19391 5770 1 15 . 1 1 68 68 THR N N 68 105.409 105.409 108.628 -3.219 19391 5771 1 15 . 1 1 68 68 THR HA H 68 4.199 4.199 4.207 -0.008 19391 5772 1 15 . 1 1 68 68 THR C C 68 176.417 176.417 174.895 1.522 19391 5773 1 15 . 1 1 68 68 THR CA C 68 62.233 62.233 61.693 0.540 19391 5774 1 15 . 1 1 68 68 THR CB C 68 71.221 71.221 69.952 1.269 19391 5775 1 15 . 1 1 68 68 THR H H 68 7.407 7.407 8.157 -0.750 19391 5776 1 15 . 1 1 69 69 GLY N N 69 113.199 113.199 110.620 2.579 19391 5777 1 15 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.808 1.406 19391 5778 1 15 . 1 1 69 69 GLY H H 69 8.344 8.344 8.009 0.335 19391 5779 1 15 . 1 1 70 70 LYS N N 70 116.533 116.533 116.981 -0.448 19391 5780 1 15 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.481 -0.083 19391 5781 1 15 . 1 1 70 70 LYS C C 70 175.022 175.022 174.246 0.776 19391 5782 1 15 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.131 1.482 19391 5783 1 15 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.395 -1.320 19391 5784 1 15 . 1 1 70 70 LYS H H 70 6.887 6.887 6.885 0.002 19391 5785 1 15 . 1 1 71 71 MET N N 71 119.590 119.590 123.309 -3.719 19391 5786 1 15 . 1 1 71 71 MET HA H 71 4.770 4.770 4.506 0.264 19391 5787 1 15 . 1 1 71 71 MET C C 71 175.810 175.810 175.118 0.692 19391 5788 1 15 . 1 1 71 71 MET CA C 71 54.296 54.296 55.733 -1.437 19391 5789 1 15 . 1 1 71 71 MET CB C 71 32.118 32.118 33.270 -1.152 19391 5790 1 15 . 1 1 71 71 MET H H 71 8.423 8.423 8.592 -0.169 19391 5791 1 16 . 1 1 2 2 SER HA H 2 4.500 4.500 4.595 -0.095 19391 5792 1 16 . 1 1 2 2 SER C C 2 174.803 174.803 174.639 0.164 19391 5793 1 16 . 1 1 2 2 SER CA C 2 58.624 58.624 58.213 0.411 19391 5794 1 16 . 1 1 2 2 SER CB C 2 63.986 63.986 63.632 0.354 19391 5795 1 16 . 1 1 3 3 MET N N 3 122.348 122.348 120.020 2.328 19391 5796 1 16 . 1 1 3 3 MET HA H 3 4.546 4.546 4.054 0.492 19391 5797 1 16 . 1 1 3 3 MET C C 3 175.969 175.969 175.386 0.583 19391 5798 1 16 . 1 1 3 3 MET CA C 3 55.560 55.560 56.228 -0.668 19391 5799 1 16 . 1 1 3 3 MET CB C 3 32.667 32.667 32.749 -0.082 19391 5800 1 16 . 1 1 3 3 MET H H 3 8.636 8.636 8.265 0.371 19391 5801 1 16 . 1 1 4 4 GLU N N 4 121.792 121.792 118.407 3.385 19391 5802 1 16 . 1 1 4 4 GLU HA H 4 4.303 4.303 3.891 0.412 19391 5803 1 16 . 1 1 4 4 GLU C C 4 175.884 175.884 175.263 0.621 19391 5804 1 16 . 1 1 4 4 GLU CA C 4 56.531 56.531 57.193 -0.662 19391 5805 1 16 . 1 1 4 4 GLU CB C 4 30.594 30.594 29.402 1.192 19391 5806 1 16 . 1 1 4 4 GLU H H 4 8.337 8.337 8.431 -0.094 19391 5807 1 16 . 1 1 5 5 ARG N N 5 122.592 122.592 125.884 -3.292 19391 5808 1 16 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.155 0.374 19391 5809 1 16 . 1 1 5 5 ARG C C 5 175.556 175.556 176.151 -0.595 19391 5810 1 16 . 1 1 5 5 ARG CA C 5 56.007 56.007 57.499 -1.492 19391 5811 1 16 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.279 -0.102 19391 5812 1 16 . 1 1 5 5 ARG H H 5 8.319 8.319 9.322 -1.003 19391 5813 1 16 . 1 1 6 6 LYS N N 6 123.750 123.750 121.351 2.399 19391 5814 1 16 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.534 -0.129 19391 5815 1 16 . 1 1 6 6 LYS C C 6 174.335 174.335 174.529 -0.194 19391 5816 1 16 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.333 0.254 19391 5817 1 16 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.477 2.221 19391 5818 1 16 . 1 1 6 6 LYS H H 6 8.372 8.372 7.688 0.684 19391 5819 1 16 . 1 1 7 7 ARG N N 7 121.789 121.789 123.776 -1.987 19391 5820 1 16 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.895 0.130 19391 5821 1 16 . 1 1 7 7 ARG C C 7 174.998 174.998 174.704 0.294 19391 5822 1 16 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.657 0.219 19391 5823 1 16 . 1 1 7 7 ARG CB C 7 33.085 33.085 32.552 0.533 19391 5824 1 16 . 1 1 7 7 ARG H H 7 7.894 7.894 8.218 -0.324 19391 5825 1 16 . 1 1 8 8 TRP N N 8 122.774 122.774 122.516 0.258 19391 5826 1 16 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.008 -0.037 19391 5827 1 16 . 1 1 8 8 TRP C C 8 175.679 175.679 175.277 0.402 19391 5828 1 16 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.852 1.490 19391 5829 1 16 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.396 1.648 19391 5830 1 16 . 1 1 8 8 TRP H H 8 9.002 9.002 8.276 0.726 19391 5831 1 16 . 1 1 9 9 GLU N N 9 121.587 121.587 119.543 2.044 19391 5832 1 16 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.367 0.107 19391 5833 1 16 . 1 1 9 9 GLU C C 9 176.133 176.133 175.998 0.135 19391 5834 1 16 . 1 1 9 9 GLU CA C 9 57.487 57.487 57.109 0.378 19391 5835 1 16 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.300 -0.046 19391 5836 1 16 . 1 1 9 9 GLU H H 9 8.879 8.879 8.637 0.242 19391 5837 1 16 . 1 1 10 10 CYS N N 10 122.770 122.770 124.526 -1.756 19391 5838 1 16 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.951 0.274 19391 5839 1 16 . 1 1 10 10 CYS C C 10 173.480 173.480 173.489 -0.009 19391 5840 1 16 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.249 0.802 19391 5841 1 16 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.132 -0.857 19391 5842 1 16 . 1 1 10 10 CYS H H 10 8.351 8.351 8.246 0.105 19391 5843 1 16 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.582 0.062 19391 5844 1 16 . 1 1 11 11 PRO C C 11 176.160 176.160 176.799 -0.639 19391 5845 1 16 . 1 1 11 11 PRO CA C 11 64.764 64.764 63.892 0.872 19391 5846 1 16 . 1 1 11 11 PRO CB C 11 32.205 32.205 32.252 -0.046 19391 5847 1 16 . 1 1 12 12 ALA N N 12 118.459 118.459 121.714 -3.255 19391 5848 1 16 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.256 0.008 19391 5849 1 16 . 1 1 12 12 ALA C C 12 176.998 176.998 177.878 -0.880 19391 5850 1 16 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.357 -0.183 19391 5851 1 16 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.212 0.984 19391 5852 1 16 . 1 1 12 12 ALA H H 12 7.635 7.635 7.963 -0.328 19391 5853 1 16 . 1 1 13 13 LEU N N 13 117.171 117.171 117.150 0.021 19391 5854 1 16 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.396 -0.081 19391 5855 1 16 . 1 1 13 13 LEU C C 13 173.277 173.277 174.355 -1.078 19391 5856 1 16 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.556 0.601 19391 5857 1 16 . 1 1 13 13 LEU CB C 13 40.980 40.980 40.423 0.557 19391 5858 1 16 . 1 1 13 13 LEU H H 13 7.449 7.449 7.305 0.144 19391 5859 1 16 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.389 0.045 19391 5860 1 16 . 1 1 14 14 PRO C C 14 174.999 174.999 176.149 -1.150 19391 5861 1 16 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.808 -0.110 19391 5862 1 16 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.094 -0.283 19391 5863 1 16 . 1 1 15 15 GLN N N 15 120.091 120.091 122.176 -2.085 19391 5864 1 16 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.157 -0.008 19391 5865 1 16 . 1 1 15 15 GLN C C 15 177.099 177.099 177.174 -0.075 19391 5866 1 16 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.726 0.607 19391 5867 1 16 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.608 0.248 19391 5868 1 16 . 1 1 15 15 GLN H H 15 8.368 8.368 8.618 -0.250 19391 5869 1 16 . 1 1 16 16 GLY N N 16 113.023 113.023 109.873 3.150 19391 5870 1 16 . 1 1 16 16 GLY C C 16 174.735 174.735 174.143 0.592 19391 5871 1 16 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.667 0.626 19391 5872 1 16 . 1 1 16 16 GLY H H 16 8.828 8.828 8.765 0.063 19391 5873 1 16 . 1 1 17 17 TRP N N 17 121.152 121.152 122.988 -1.836 19391 5874 1 16 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.128 -0.311 19391 5875 1 16 . 1 1 17 17 TRP C C 17 177.275 177.275 175.576 1.699 19391 5876 1 16 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.256 1.897 19391 5877 1 16 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.221 0.070 19391 5878 1 16 . 1 1 17 17 TRP H H 17 8.006 8.006 7.954 0.052 19391 5879 1 16 . 1 1 18 18 GLU N N 18 120.147 120.147 119.652 0.495 19391 5880 1 16 . 1 1 18 18 GLU HA H 18 5.255 5.255 5.245 0.010 19391 5881 1 16 . 1 1 18 18 GLU C C 18 174.373 174.373 175.170 -0.797 19391 5882 1 16 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.314 -0.223 19391 5883 1 16 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.892 0.483 19391 5884 1 16 . 1 1 18 18 GLU H H 18 8.934 8.934 8.767 0.167 19391 5885 1 16 . 1 1 19 19 ARG N N 19 122.215 122.215 120.915 1.300 19391 5886 1 16 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.144 -0.138 19391 5887 1 16 . 1 1 19 19 ARG C C 19 174.040 174.040 174.075 -0.035 19391 5888 1 16 . 1 1 19 19 ARG CA C 19 54.366 54.366 53.002 1.364 19391 5889 1 16 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.139 0.751 19391 5890 1 16 . 1 1 19 19 ARG H H 19 9.300 9.300 8.476 0.824 19391 5891 1 16 . 1 1 20 20 GLU N N 20 127.885 127.885 119.563 8.322 19391 5892 1 16 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.783 0.502 19391 5893 1 16 . 1 1 20 20 GLU C C 20 173.582 173.582 174.442 -0.860 19391 5894 1 16 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.952 -0.498 19391 5895 1 16 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.939 2.633 19391 5896 1 16 . 1 1 20 20 GLU H H 20 9.460 9.460 8.364 1.096 19391 5897 1 16 . 1 1 21 21 GLU N N 21 123.590 123.590 124.778 -1.188 19391 5898 1 16 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.881 0.437 19391 5899 1 16 . 1 1 21 21 GLU C C 21 176.091 176.091 175.137 0.954 19391 5900 1 16 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.066 -0.608 19391 5901 1 16 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.950 -0.098 19391 5902 1 16 . 1 1 21 21 GLU H H 21 8.580 8.580 8.129 0.451 19391 5903 1 16 . 1 1 22 22 VAL N N 22 123.718 123.718 123.355 0.363 19391 5904 1 16 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.590 0.178 19391 5905 1 16 . 1 1 22 22 VAL C C 22 169.573 169.573 173.093 -3.520 19391 5906 1 16 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.943 0.046 19391 5907 1 16 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.306 0.953 19391 5908 1 16 . 1 1 22 22 VAL H H 22 9.177 9.177 8.969 0.208 19391 5909 1 16 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.491 0.264 19391 5910 1 16 . 1 1 23 23 PRO C C 23 176.679 176.679 176.457 0.222 19391 5911 1 16 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.546 -0.082 19391 5912 1 16 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.191 -0.092 19391 5913 1 16 . 1 1 24 24 ARG N N 24 123.629 123.629 122.840 0.789 19391 5914 1 16 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.707 -0.219 19391 5915 1 16 . 1 1 24 24 ARG C C 24 177.926 177.926 176.006 1.920 19391 5916 1 16 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.005 1.425 19391 5917 1 16 . 1 1 24 24 ARG CB C 24 30.988 30.988 32.062 -1.074 19391 5918 1 16 . 1 1 24 24 ARG H H 24 8.726 8.726 8.230 0.496 19391 5919 1 16 . 1 1 25 25 ARG N N 25 124.327 124.327 120.726 3.601 19391 5920 1 16 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.445 -0.102 19391 5921 1 16 . 1 1 25 25 ARG C C 25 176.213 176.213 174.229 1.984 19391 5922 1 16 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.719 0.751 19391 5923 1 16 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.154 1.054 19391 5924 1 16 . 1 1 25 25 ARG H H 25 9.070 9.070 8.773 0.297 19391 5925 1 16 . 1 1 26 26 SER N N 26 114.348 114.348 115.969 -1.621 19391 5926 1 16 . 1 1 26 26 SER HA H 26 4.652 4.652 4.511 0.141 19391 5927 1 16 . 1 1 26 26 SER C C 26 173.704 173.704 173.422 0.282 19391 5928 1 16 . 1 1 26 26 SER CA C 26 57.727 57.727 58.549 -0.822 19391 5929 1 16 . 1 1 26 26 SER CB C 26 65.099 65.099 63.347 1.752 19391 5930 1 16 . 1 1 26 26 SER H H 26 8.071 8.071 8.555 -0.484 19391 5931 1 16 . 1 1 27 27 GLY N N 27 108.224 108.224 109.400 -1.176 19391 5932 1 16 . 1 1 27 27 GLY C C 27 175.321 175.321 174.276 1.045 19391 5933 1 16 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.818 0.345 19391 5934 1 16 . 1 1 27 27 GLY H H 27 8.433 8.433 7.690 0.743 19391 5935 1 16 . 1 1 28 28 LEU N N 28 122.251 122.251 121.432 0.819 19391 5936 1 16 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.237 0.012 19391 5937 1 16 . 1 1 28 28 LEU C C 28 178.691 178.691 178.566 0.125 19391 5938 1 16 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.911 -0.118 19391 5939 1 16 . 1 1 28 28 LEU CB C 28 42.183 42.183 41.935 0.248 19391 5940 1 16 . 1 1 28 28 LEU H H 28 8.752 8.752 8.516 0.236 19391 5941 1 16 . 1 1 29 29 SER N N 29 113.375 113.375 112.948 0.427 19391 5942 1 16 . 1 1 29 29 SER HA H 29 4.440 4.440 4.085 0.355 19391 5943 1 16 . 1 1 29 29 SER C C 29 173.707 173.707 174.240 -0.533 19391 5944 1 16 . 1 1 29 29 SER CA C 29 57.782 57.782 57.221 0.561 19391 5945 1 16 . 1 1 29 29 SER CB C 29 63.353 63.353 62.294 1.058 19391 5946 1 16 . 1 1 29 29 SER H H 29 8.397 8.397 8.184 0.213 19391 5947 1 16 . 1 1 30 30 ALA N N 30 124.539 124.539 123.814 0.725 19391 5948 1 16 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.259 -0.347 19391 5949 1 16 . 1 1 30 30 ALA C C 30 178.198 178.198 178.476 -0.278 19391 5950 1 16 . 1 1 30 30 ALA CA C 30 53.576 53.576 52.964 0.612 19391 5951 1 16 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.072 -0.649 19391 5952 1 16 . 1 1 30 30 ALA H H 30 7.623 7.623 7.836 -0.213 19391 5953 1 16 . 1 1 31 31 GLY N N 31 109.642 109.642 111.257 -1.615 19391 5954 1 16 . 1 1 31 31 GLY C C 31 174.534 174.534 174.222 0.312 19391 5955 1 16 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.946 -0.704 19391 5956 1 16 . 1 1 31 31 GLY H H 31 8.713 8.713 8.657 0.056 19391 5957 1 16 . 1 1 32 32 HIS N N 32 119.677 119.677 121.914 -2.237 19391 5958 1 16 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.620 -0.056 19391 5959 1 16 . 1 1 32 32 HIS C C 32 174.544 174.544 174.287 0.257 19391 5960 1 16 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.120 0.296 19391 5961 1 16 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.318 -0.732 19391 5962 1 16 . 1 1 32 32 HIS H H 32 8.304 8.304 7.845 0.459 19391 5963 1 16 . 1 1 33 33 ARG N N 33 124.677 124.677 123.990 0.687 19391 5964 1 16 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.939 -0.334 19391 5965 1 16 . 1 1 33 33 ARG C C 33 174.869 174.869 175.049 -0.180 19391 5966 1 16 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.672 1.090 19391 5967 1 16 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.137 -0.937 19391 5968 1 16 . 1 1 33 33 ARG H H 33 8.731 8.731 8.511 0.220 19391 5969 1 16 . 1 1 34 34 ASP N N 34 124.378 124.378 124.935 -0.557 19391 5970 1 16 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.792 0.084 19391 5971 1 16 . 1 1 34 34 ASP C C 34 174.057 174.057 175.112 -1.055 19391 5972 1 16 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.829 0.216 19391 5973 1 16 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.752 1.099 19391 5974 1 16 . 1 1 34 34 ASP H H 34 8.387 8.387 8.671 -0.284 19391 5975 1 16 . 1 1 35 35 VAL N N 35 121.095 121.095 121.132 -0.037 19391 5976 1 16 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.884 -0.134 19391 5977 1 16 . 1 1 35 35 VAL C C 35 173.600 173.600 174.622 -1.022 19391 5978 1 16 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.890 0.467 19391 5979 1 16 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.670 1.408 19391 5980 1 16 . 1 1 35 35 VAL H H 35 8.023 8.023 8.262 -0.239 19391 5981 1 16 . 1 1 36 36 PHE N N 36 122.163 122.163 125.493 -3.330 19391 5982 1 16 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.615 0.983 19391 5983 1 16 . 1 1 36 36 PHE C C 36 174.164 174.164 174.065 0.099 19391 5984 1 16 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.666 -1.958 19391 5985 1 16 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.306 1.672 19391 5986 1 16 . 1 1 36 36 PHE H H 36 8.710 8.710 8.443 0.267 19391 5987 1 16 . 1 1 37 37 TYR N N 37 116.406 116.406 118.653 -2.247 19391 5988 1 16 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.941 0.746 19391 5989 1 16 . 1 1 37 37 TYR C C 37 174.694 174.694 174.100 0.594 19391 5990 1 16 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.157 0.707 19391 5991 1 16 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.292 2.185 19391 5992 1 16 . 1 1 37 37 TYR H H 37 8.552 8.552 8.042 0.510 19391 5993 1 16 . 1 1 38 38 TYR N N 38 118.594 118.594 118.430 0.164 19391 5994 1 16 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.465 0.279 19391 5995 1 16 . 1 1 38 38 TYR C C 38 175.481 175.481 175.409 0.072 19391 5996 1 16 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.589 0.361 19391 5997 1 16 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.824 0.463 19391 5998 1 16 . 1 1 38 38 TYR H H 38 9.445 9.445 9.225 0.220 19391 5999 1 16 . 1 1 39 39 SER N N 39 118.327 118.327 117.451 0.876 19391 6000 1 16 . 1 1 39 39 SER HA H 39 2.098 2.098 4.202 -2.104 19391 6001 1 16 . 1 1 39 39 SER C C 39 174.399 174.399 174.428 -0.029 19391 6002 1 16 . 1 1 39 39 SER CA C 39 55.375 55.375 54.564 0.811 19391 6003 1 16 . 1 1 39 39 SER CB C 39 62.873 62.873 63.127 -0.254 19391 6004 1 16 . 1 1 39 39 SER H H 39 8.808 8.808 8.259 0.549 19391 6005 1 16 . 1 1 41 41 SER HA H 41 4.452 4.452 4.410 0.042 19391 6006 1 16 . 1 1 41 41 SER C C 41 174.963 174.963 175.211 -0.248 19391 6007 1 16 . 1 1 41 41 SER CA C 41 57.861 57.861 57.898 -0.036 19391 6008 1 16 . 1 1 41 41 SER CB C 41 63.763 63.763 63.647 0.116 19391 6009 1 16 . 1 1 42 42 GLY N N 42 111.741 111.741 110.202 1.539 19391 6010 1 16 . 1 1 42 42 GLY C C 42 173.938 173.938 173.811 0.127 19391 6011 1 16 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.226 0.203 19391 6012 1 16 . 1 1 42 42 GLY H H 42 8.292 8.292 8.021 0.271 19391 6013 1 16 . 1 1 43 43 LYS N N 43 122.381 122.381 121.580 0.801 19391 6014 1 16 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.265 -0.174 19391 6015 1 16 . 1 1 43 43 LYS C C 43 174.049 174.049 176.045 -1.996 19391 6016 1 16 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.353 0.156 19391 6017 1 16 . 1 1 43 43 LYS CB C 43 32.790 32.790 32.987 -0.197 19391 6018 1 16 . 1 1 43 43 LYS H H 43 7.361 7.361 7.585 -0.224 19391 6019 1 16 . 1 1 44 44 LYS N N 44 125.831 125.831 126.868 -1.037 19391 6020 1 16 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.692 -0.198 19391 6021 1 16 . 1 1 44 44 LYS C C 44 175.970 175.970 176.048 -0.078 19391 6022 1 16 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.830 -0.121 19391 6023 1 16 . 1 1 44 44 LYS CB C 44 35.640 35.640 32.847 2.792 19391 6024 1 16 . 1 1 44 44 LYS H H 44 8.078 8.078 8.561 -0.483 19391 6025 1 16 . 1 1 45 45 PHE N N 45 124.636 124.636 120.598 4.038 19391 6026 1 16 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.941 -0.159 19391 6027 1 16 . 1 1 45 45 PHE C C 45 176.205 176.205 174.049 2.156 19391 6028 1 16 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.209 1.744 19391 6029 1 16 . 1 1 45 45 PHE CB C 45 42.976 42.976 42.038 0.938 19391 6030 1 16 . 1 1 45 45 PHE H H 45 9.707 9.707 7.890 1.817 19391 6031 1 16 . 1 1 46 46 ARG N N 46 117.959 117.959 122.584 -4.625 19391 6032 1 16 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.769 0.631 19391 6033 1 16 . 1 1 46 46 ARG C C 46 175.059 175.059 174.566 0.493 19391 6034 1 16 . 1 1 46 46 ARG CA C 46 55.322 55.322 56.106 -0.784 19391 6035 1 16 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.513 2.870 19391 6036 1 16 . 1 1 46 46 ARG H H 46 9.430 9.430 8.837 0.593 19391 6037 1 16 . 1 1 47 47 SER N N 47 115.115 115.115 116.939 -1.824 19391 6038 1 16 . 1 1 47 47 SER HA H 47 4.069 4.069 4.536 -0.467 19391 6039 1 16 . 1 1 47 47 SER C C 47 172.762 172.762 173.976 -1.214 19391 6040 1 16 . 1 1 47 47 SER CA C 47 56.797 56.797 57.298 -0.501 19391 6041 1 16 . 1 1 47 47 SER CB C 47 66.892 66.892 65.057 1.835 19391 6042 1 16 . 1 1 47 47 SER H H 47 7.926 7.926 7.762 0.164 19391 6043 1 16 . 1 1 48 48 LYS N N 48 122.914 122.914 123.412 -0.498 19391 6044 1 16 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.067 0.032 19391 6045 1 16 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.539 2.031 19391 6046 1 16 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.715 -0.465 19391 6047 1 16 . 1 1 48 48 LYS H H 48 8.994 8.994 8.582 0.412 19391 6048 1 16 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.184 0.200 19391 6049 1 16 . 1 1 49 49 PRO C C 49 179.505 179.505 179.090 0.415 19391 6050 1 16 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.927 0.335 19391 6051 1 16 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.392 -0.138 19391 6052 1 16 . 1 1 50 50 GLN N N 50 116.141 116.141 118.204 -2.063 19391 6053 1 16 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.139 0.020 19391 6054 1 16 . 1 1 50 50 GLN C C 50 179.539 179.539 178.378 1.161 19391 6055 1 16 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.648 0.565 19391 6056 1 16 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.228 1.137 19391 6057 1 16 . 1 1 50 50 GLN H H 50 7.333 7.333 8.290 -0.957 19391 6058 1 16 . 1 1 51 51 LEU N N 51 122.318 122.318 120.060 2.258 19391 6059 1 16 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.015 -0.203 19391 6060 1 16 . 1 1 51 51 LEU C C 51 177.948 177.948 179.010 -1.062 19391 6061 1 16 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.849 0.295 19391 6062 1 16 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.008 2.442 19391 6063 1 16 . 1 1 51 51 LEU H H 51 7.957 7.957 7.668 0.289 19391 6064 1 16 . 1 1 52 52 ALA N N 52 120.627 120.627 121.293 -0.666 19391 6065 1 16 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.972 -0.062 19391 6066 1 16 . 1 1 52 52 ALA C C 52 181.360 181.360 179.305 2.055 19391 6067 1 16 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.700 0.194 19391 6068 1 16 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.674 -0.488 19391 6069 1 16 . 1 1 52 52 ALA H H 52 9.134 9.134 8.107 1.027 19391 6070 1 16 . 1 1 53 53 ARG N N 53 118.087 118.087 119.242 -1.155 19391 6071 1 16 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.974 0.136 19391 6072 1 16 . 1 1 53 53 ARG C C 53 178.186 178.186 178.602 -0.416 19391 6073 1 16 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.156 0.140 19391 6074 1 16 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.306 0.249 19391 6075 1 16 . 1 1 53 53 ARG H H 53 8.095 8.095 8.071 0.024 19391 6076 1 16 . 1 1 54 54 TYR N N 54 119.692 119.692 118.553 1.139 19391 6077 1 16 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.271 0.106 19391 6078 1 16 . 1 1 54 54 TYR C C 54 177.809 177.809 176.764 1.045 19391 6079 1 16 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.946 0.396 19391 6080 1 16 . 1 1 54 54 TYR CB C 54 40.399 40.399 39.142 1.258 19391 6081 1 16 . 1 1 54 54 TYR H H 54 7.584 7.584 7.944 -0.360 19391 6082 1 16 . 1 1 55 55 LEU N N 55 117.313 117.313 115.557 1.756 19391 6083 1 16 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.314 -0.159 19391 6084 1 16 . 1 1 55 55 LEU C C 55 178.784 178.784 177.326 1.458 19391 6085 1 16 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.654 1.133 19391 6086 1 16 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.711 1.073 19391 6087 1 16 . 1 1 55 55 LEU H H 55 8.279 8.279 7.962 0.317 19391 6088 1 16 . 1 1 56 56 GLY N N 56 108.526 108.526 107.784 0.742 19391 6089 1 16 . 1 1 56 56 GLY C C 56 174.749 174.749 174.603 0.146 19391 6090 1 16 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.499 0.252 19391 6091 1 16 . 1 1 56 56 GLY H H 56 7.911 7.911 7.960 -0.049 19391 6092 1 16 . 1 1 57 57 GLY N N 57 109.514 109.514 113.098 -3.584 19391 6093 1 16 . 1 1 57 57 GLY C C 57 175.034 175.034 174.654 0.380 19391 6094 1 16 . 1 1 57 57 GLY CA C 57 45.648 45.648 44.992 0.656 19391 6095 1 16 . 1 1 57 57 GLY H H 57 8.644 8.644 8.097 0.547 19391 6096 1 16 . 1 1 58 58 SER N N 58 114.666 114.666 116.906 -2.240 19391 6097 1 16 . 1 1 58 58 SER HA H 58 4.355 4.355 4.678 -0.323 19391 6098 1 16 . 1 1 58 58 SER C C 58 173.748 173.748 174.720 -0.972 19391 6099 1 16 . 1 1 58 58 SER CA C 58 60.013 60.013 59.231 0.782 19391 6100 1 16 . 1 1 58 58 SER CB C 58 64.173 64.173 64.143 0.030 19391 6101 1 16 . 1 1 58 58 SER H H 58 8.058 8.058 8.390 -0.332 19391 6102 1 16 . 1 1 59 59 MET N N 59 118.467 118.467 118.785 -0.318 19391 6103 1 16 . 1 1 59 59 MET HA H 59 4.475 4.475 4.577 -0.102 19391 6104 1 16 . 1 1 59 59 MET C C 59 172.909 172.909 173.781 -0.872 19391 6105 1 16 . 1 1 59 59 MET CA C 59 56.185 56.185 55.263 0.922 19391 6106 1 16 . 1 1 59 59 MET CB C 59 35.552 35.552 34.267 1.285 19391 6107 1 16 . 1 1 59 59 MET H H 59 7.442 7.442 7.502 -0.060 19391 6108 1 16 . 1 1 60 60 ASP N N 60 121.779 121.779 121.417 0.362 19391 6109 1 16 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.873 -0.179 19391 6110 1 16 . 1 1 60 60 ASP C C 60 176.867 176.867 176.097 0.770 19391 6111 1 16 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.830 -0.549 19391 6112 1 16 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.390 0.590 19391 6113 1 16 . 1 1 60 60 ASP H H 60 8.401 8.401 8.472 -0.071 19391 6114 1 16 . 1 1 61 61 LEU N N 61 126.474 126.474 126.170 0.304 19391 6115 1 16 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.363 0.031 19391 6116 1 16 . 1 1 61 61 LEU C C 61 178.536 178.536 177.871 0.665 19391 6117 1 16 . 1 1 61 61 LEU CA C 61 54.039 54.039 55.294 -1.256 19391 6118 1 16 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.611 -0.998 19391 6119 1 16 . 1 1 61 61 LEU H H 61 9.015 9.015 8.417 0.598 19391 6120 1 16 . 1 1 62 62 SER N N 62 120.014 120.014 115.654 4.360 19391 6121 1 16 . 1 1 62 62 SER HA H 62 4.125 4.125 4.328 -0.203 19391 6122 1 16 . 1 1 62 62 SER C C 62 176.669 176.669 175.292 1.377 19391 6123 1 16 . 1 1 62 62 SER CA C 62 63.345 63.345 60.945 2.400 19391 6124 1 16 . 1 1 62 62 SER CB C 62 62.553 62.553 63.081 -0.528 19391 6125 1 16 . 1 1 62 62 SER H H 62 8.871 8.871 8.239 0.632 19391 6126 1 16 . 1 1 63 63 THR N N 63 110.495 110.495 114.808 -4.313 19391 6127 1 16 . 1 1 63 63 THR HA H 63 4.510 4.510 4.485 0.025 19391 6128 1 16 . 1 1 63 63 THR C C 63 173.862 173.862 173.256 0.606 19391 6129 1 16 . 1 1 63 63 THR CA C 63 61.006 61.006 61.309 -0.303 19391 6130 1 16 . 1 1 63 63 THR CB C 63 67.976 67.976 68.347 -0.371 19391 6131 1 16 . 1 1 63 63 THR H H 63 8.363 8.363 7.711 0.652 19391 6132 1 16 . 1 1 64 64 PHE N N 64 123.605 123.605 123.699 -0.094 19391 6133 1 16 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.895 -0.279 19391 6134 1 16 . 1 1 64 64 PHE C C 64 173.716 173.716 172.887 0.829 19391 6135 1 16 . 1 1 64 64 PHE CA C 64 58.017 58.017 55.570 2.447 19391 6136 1 16 . 1 1 64 64 PHE CB C 64 40.944 40.944 42.548 -1.604 19391 6137 1 16 . 1 1 64 64 PHE H H 64 7.472 7.472 7.961 -0.489 19391 6138 1 16 . 1 1 65 65 ASP N N 65 129.564 129.564 127.791 1.773 19391 6139 1 16 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.516 0.011 19391 6140 1 16 . 1 1 65 65 ASP C C 65 173.973 173.973 174.793 -0.820 19391 6141 1 16 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.094 0.719 19391 6142 1 16 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.723 0.225 19391 6143 1 16 . 1 1 65 65 ASP H H 65 8.574 8.574 8.333 0.241 19391 6144 1 16 . 1 1 66 66 PHE N N 66 128.221 128.221 128.308 -0.087 19391 6145 1 16 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.032 -0.375 19391 6146 1 16 . 1 1 66 66 PHE C C 66 177.535 177.535 176.763 0.772 19391 6147 1 16 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.505 1.241 19391 6148 1 16 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.991 1.251 19391 6149 1 16 . 1 1 66 66 PHE H H 66 8.886 8.886 8.237 0.649 19391 6150 1 16 . 1 1 67 67 ARG N N 67 116.246 116.246 117.072 -0.826 19391 6151 1 16 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.003 0.758 19391 6152 1 16 . 1 1 67 67 ARG C C 67 178.024 178.024 177.760 0.264 19391 6153 1 16 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.883 0.778 19391 6154 1 16 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.572 0.157 19391 6155 1 16 . 1 1 67 67 ARG H H 67 8.804 8.804 8.199 0.605 19391 6156 1 16 . 1 1 68 68 THR N N 68 105.409 105.409 106.406 -0.997 19391 6157 1 16 . 1 1 68 68 THR HA H 68 4.199 4.199 4.347 -0.148 19391 6158 1 16 . 1 1 68 68 THR C C 68 176.417 176.417 175.149 1.268 19391 6159 1 16 . 1 1 68 68 THR CA C 68 62.233 62.233 62.010 0.224 19391 6160 1 16 . 1 1 68 68 THR CB C 68 71.221 71.221 70.379 0.842 19391 6161 1 16 . 1 1 68 68 THR H H 68 7.407 7.407 8.156 -0.750 19391 6162 1 16 . 1 1 69 69 GLY N N 69 113.199 113.199 110.884 2.315 19391 6163 1 16 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.891 1.323 19391 6164 1 16 . 1 1 69 69 GLY H H 69 8.344 8.344 8.125 0.219 19391 6165 1 16 . 1 1 70 70 LYS N N 70 116.533 116.533 118.254 -1.721 19391 6166 1 16 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.971 -0.573 19391 6167 1 16 . 1 1 70 70 LYS C C 70 175.022 175.022 174.994 0.028 19391 6168 1 16 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.432 0.181 19391 6169 1 16 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.433 -1.358 19391 6170 1 16 . 1 1 70 70 LYS H H 70 6.887 6.887 7.592 -0.705 19391 6171 1 16 . 1 1 71 71 MET N N 71 119.590 119.590 125.202 -5.612 19391 6172 1 16 . 1 1 71 71 MET HA H 71 4.770 4.770 4.986 -0.216 19391 6173 1 16 . 1 1 71 71 MET C C 71 175.810 175.810 175.084 0.726 19391 6174 1 16 . 1 1 71 71 MET CA C 71 54.296 54.296 55.597 -1.301 19391 6175 1 16 . 1 1 71 71 MET CB C 71 32.118 32.118 33.404 -1.286 19391 6176 1 16 . 1 1 71 71 MET H H 71 8.423 8.423 8.785 -0.362 19391 6177 1 17 . 1 1 2 2 SER HA H 2 4.500 4.500 4.053 0.447 19391 6178 1 17 . 1 1 2 2 SER C C 2 174.803 174.803 173.797 1.006 19391 6179 1 17 . 1 1 2 2 SER CA C 2 58.624 58.624 59.127 -0.503 19391 6180 1 17 . 1 1 2 2 SER CB C 2 63.986 63.986 61.801 2.185 19391 6181 1 17 . 1 1 3 3 MET N N 3 122.348 122.348 121.907 0.441 19391 6182 1 17 . 1 1 3 3 MET HA H 3 4.546 4.546 4.323 0.223 19391 6183 1 17 . 1 1 3 3 MET C C 3 175.969 175.969 176.084 -0.115 19391 6184 1 17 . 1 1 3 3 MET CA C 3 55.560 55.560 56.438 -0.878 19391 6185 1 17 . 1 1 3 3 MET CB C 3 32.667 32.667 32.346 0.321 19391 6186 1 17 . 1 1 3 3 MET H H 3 8.636 8.636 7.845 0.791 19391 6187 1 17 . 1 1 4 4 GLU N N 4 121.792 121.792 119.811 1.981 19391 6188 1 17 . 1 1 4 4 GLU HA H 4 4.303 4.303 3.903 0.400 19391 6189 1 17 . 1 1 4 4 GLU C C 4 175.884 175.884 174.654 1.230 19391 6190 1 17 . 1 1 4 4 GLU CA C 4 56.531 56.531 57.846 -1.315 19391 6191 1 17 . 1 1 4 4 GLU CB C 4 30.594 30.594 27.240 3.354 19391 6192 1 17 . 1 1 4 4 GLU H H 4 8.337 8.337 8.802 -0.465 19391 6193 1 17 . 1 1 5 5 ARG N N 5 122.592 122.592 117.883 4.709 19391 6194 1 17 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.615 -0.086 19391 6195 1 17 . 1 1 5 5 ARG C C 5 175.556 175.556 174.919 0.637 19391 6196 1 17 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.300 0.707 19391 6197 1 17 . 1 1 5 5 ARG CB C 5 31.177 31.177 32.481 -1.304 19391 6198 1 17 . 1 1 5 5 ARG H H 5 8.319 8.319 7.112 1.207 19391 6199 1 17 . 1 1 6 6 LYS N N 6 123.750 123.750 125.950 -2.200 19391 6200 1 17 . 1 1 6 6 LYS HA H 6 4.405 4.405 3.951 0.454 19391 6201 1 17 . 1 1 6 6 LYS C C 6 174.335 174.335 175.087 -0.752 19391 6202 1 17 . 1 1 6 6 LYS CA C 6 55.587 55.587 56.595 -1.008 19391 6203 1 17 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.088 1.610 19391 6204 1 17 . 1 1 6 6 LYS H H 6 8.372 8.372 7.951 0.421 19391 6205 1 17 . 1 1 7 7 ARG N N 7 121.789 121.789 119.274 2.515 19391 6206 1 17 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.273 0.752 19391 6207 1 17 . 1 1 7 7 ARG C C 7 174.998 174.998 174.092 0.906 19391 6208 1 17 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.989 -0.112 19391 6209 1 17 . 1 1 7 7 ARG CB C 7 33.085 33.085 32.841 0.244 19391 6210 1 17 . 1 1 7 7 ARG H H 7 7.894 7.894 7.512 0.382 19391 6211 1 17 . 1 1 8 8 TRP N N 8 122.774 122.774 122.828 -0.054 19391 6212 1 17 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.865 0.106 19391 6213 1 17 . 1 1 8 8 TRP C C 8 175.679 175.679 175.197 0.482 19391 6214 1 17 . 1 1 8 8 TRP CA C 8 56.342 56.342 56.600 -0.258 19391 6215 1 17 . 1 1 8 8 TRP CB C 8 33.044 33.044 32.919 0.125 19391 6216 1 17 . 1 1 8 8 TRP H H 8 9.002 9.002 9.019 -0.017 19391 6217 1 17 . 1 1 9 9 GLU N N 9 121.587 121.587 121.666 -0.079 19391 6218 1 17 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.389 0.085 19391 6219 1 17 . 1 1 9 9 GLU C C 9 176.133 176.133 175.592 0.541 19391 6220 1 17 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.867 0.620 19391 6221 1 17 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.674 -0.420 19391 6222 1 17 . 1 1 9 9 GLU H H 9 8.879 8.879 8.676 0.203 19391 6223 1 17 . 1 1 10 10 CYS N N 10 122.770 122.770 124.026 -1.256 19391 6224 1 17 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.165 0.060 19391 6225 1 17 . 1 1 10 10 CYS C C 10 173.480 173.480 174.186 -0.706 19391 6226 1 17 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.563 0.488 19391 6227 1 17 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.458 -1.183 19391 6228 1 17 . 1 1 10 10 CYS H H 10 8.351 8.351 8.958 -0.607 19391 6229 1 17 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.313 0.331 19391 6230 1 17 . 1 1 11 11 PRO C C 11 176.160 176.160 176.637 -0.477 19391 6231 1 17 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.819 -0.055 19391 6232 1 17 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.871 0.334 19391 6233 1 17 . 1 1 12 12 ALA N N 12 118.459 118.459 118.126 0.333 19391 6234 1 17 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.128 0.136 19391 6235 1 17 . 1 1 12 12 ALA C C 12 176.998 176.998 177.636 -0.638 19391 6236 1 17 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.831 0.343 19391 6237 1 17 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.975 1.221 19391 6238 1 17 . 1 1 12 12 ALA H H 12 7.635 7.635 7.973 -0.338 19391 6239 1 17 . 1 1 13 13 LEU N N 13 117.171 117.171 119.532 -2.361 19391 6240 1 17 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.337 -0.022 19391 6241 1 17 . 1 1 13 13 LEU C C 13 173.277 173.277 174.494 -1.217 19391 6242 1 17 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.683 0.474 19391 6243 1 17 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.517 -0.537 19391 6244 1 17 . 1 1 13 13 LEU H H 13 7.449 7.449 7.413 0.036 19391 6245 1 17 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.310 0.124 19391 6246 1 17 . 1 1 14 14 PRO C C 14 174.999 174.999 176.021 -1.022 19391 6247 1 17 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.475 0.223 19391 6248 1 17 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.447 -0.636 19391 6249 1 17 . 1 1 15 15 GLN N N 15 120.091 120.091 122.900 -2.809 19391 6250 1 17 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.106 0.043 19391 6251 1 17 . 1 1 15 15 GLN C C 15 177.099 177.099 176.872 0.227 19391 6252 1 17 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.844 0.489 19391 6253 1 17 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.815 0.041 19391 6254 1 17 . 1 1 15 15 GLN H H 15 8.368 8.368 8.509 -0.141 19391 6255 1 17 . 1 1 16 16 GLY N N 16 113.023 113.023 111.672 1.351 19391 6256 1 17 . 1 1 16 16 GLY C C 16 174.735 174.735 174.287 0.448 19391 6257 1 17 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.635 0.658 19391 6258 1 17 . 1 1 16 16 GLY H H 16 8.828 8.828 8.611 0.217 19391 6259 1 17 . 1 1 17 17 TRP N N 17 121.152 121.152 121.840 -0.688 19391 6260 1 17 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.034 -0.217 19391 6261 1 17 . 1 1 17 17 TRP C C 17 177.275 177.275 176.184 1.091 19391 6262 1 17 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.006 2.147 19391 6263 1 17 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.163 0.127 19391 6264 1 17 . 1 1 17 17 TRP H H 17 8.006 8.006 8.036 -0.030 19391 6265 1 17 . 1 1 18 18 GLU N N 18 120.147 120.147 119.705 0.442 19391 6266 1 17 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.845 0.410 19391 6267 1 17 . 1 1 18 18 GLU C C 18 174.373 174.373 174.556 -0.183 19391 6268 1 17 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.487 -0.396 19391 6269 1 17 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.280 1.095 19391 6270 1 17 . 1 1 18 18 GLU H H 18 8.934 8.934 8.644 0.290 19391 6271 1 17 . 1 1 19 19 ARG N N 19 122.215 122.215 124.452 -2.237 19391 6272 1 17 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.885 0.121 19391 6273 1 17 . 1 1 19 19 ARG C C 19 174.040 174.040 174.012 0.028 19391 6274 1 17 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.892 -0.526 19391 6275 1 17 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.377 1.513 19391 6276 1 17 . 1 1 19 19 ARG H H 19 9.300 9.300 8.410 0.890 19391 6277 1 17 . 1 1 20 20 GLU N N 20 127.885 127.885 125.022 2.863 19391 6278 1 17 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.765 0.520 19391 6279 1 17 . 1 1 20 20 GLU C C 20 173.582 173.582 174.172 -0.590 19391 6280 1 17 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.488 -0.034 19391 6281 1 17 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.266 3.306 19391 6282 1 17 . 1 1 20 20 GLU H H 20 9.460 9.460 8.247 1.213 19391 6283 1 17 . 1 1 21 21 GLU N N 21 123.590 123.590 124.183 -0.593 19391 6284 1 17 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.844 0.474 19391 6285 1 17 . 1 1 21 21 GLU C C 21 176.091 176.091 175.002 1.089 19391 6286 1 17 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.701 -1.243 19391 6287 1 17 . 1 1 21 21 GLU CB C 21 32.852 32.852 31.556 1.296 19391 6288 1 17 . 1 1 21 21 GLU H H 21 8.580 8.580 8.743 -0.163 19391 6289 1 17 . 1 1 22 22 VAL N N 22 123.718 123.718 124.133 -0.415 19391 6290 1 17 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.685 0.083 19391 6291 1 17 . 1 1 22 22 VAL C C 22 169.573 169.573 173.690 -4.117 19391 6292 1 17 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.074 0.915 19391 6293 1 17 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.596 0.663 19391 6294 1 17 . 1 1 22 22 VAL H H 22 9.177 9.177 9.238 -0.061 19391 6295 1 17 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.572 0.183 19391 6296 1 17 . 1 1 23 23 PRO C C 23 176.679 176.679 176.439 0.240 19391 6297 1 17 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.572 -0.108 19391 6298 1 17 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.288 -0.190 19391 6299 1 17 . 1 1 24 24 ARG N N 24 123.629 123.629 120.090 3.539 19391 6300 1 17 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.196 0.292 19391 6301 1 17 . 1 1 24 24 ARG C C 24 177.926 177.926 176.297 1.629 19391 6302 1 17 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.691 -0.261 19391 6303 1 17 . 1 1 24 24 ARG CB C 24 30.988 30.988 28.712 2.276 19391 6304 1 17 . 1 1 24 24 ARG H H 24 8.726 8.726 8.313 0.413 19391 6305 1 17 . 1 1 25 25 ARG N N 25 124.327 124.327 126.217 -1.890 19391 6306 1 17 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.439 -0.096 19391 6307 1 17 . 1 1 25 25 ARG C C 25 176.213 176.213 175.862 0.351 19391 6308 1 17 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.678 1.792 19391 6309 1 17 . 1 1 25 25 ARG CB C 25 31.208 31.208 29.991 1.217 19391 6310 1 17 . 1 1 25 25 ARG H H 25 9.070 9.070 8.274 0.796 19391 6311 1 17 . 1 1 26 26 SER N N 26 114.348 114.348 117.956 -3.608 19391 6312 1 17 . 1 1 26 26 SER HA H 26 4.652 4.652 4.224 0.428 19391 6313 1 17 . 1 1 26 26 SER C C 26 173.704 173.704 173.283 0.421 19391 6314 1 17 . 1 1 26 26 SER CA C 26 57.727 57.727 58.708 -0.981 19391 6315 1 17 . 1 1 26 26 SER CB C 26 65.099 65.099 63.642 1.457 19391 6316 1 17 . 1 1 26 26 SER H H 26 8.071 8.071 8.720 -0.649 19391 6317 1 17 . 1 1 27 27 GLY N N 27 108.224 108.224 111.441 -3.217 19391 6318 1 17 . 1 1 27 27 GLY C C 27 175.321 175.321 174.561 0.760 19391 6319 1 17 . 1 1 27 27 GLY CA C 27 45.163 45.163 44.441 0.722 19391 6320 1 17 . 1 1 27 27 GLY H H 27 8.433 8.433 8.015 0.418 19391 6321 1 17 . 1 1 28 28 LEU N N 28 122.251 122.251 122.396 -0.145 19391 6322 1 17 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.306 -0.057 19391 6323 1 17 . 1 1 28 28 LEU C C 28 178.691 178.691 177.366 1.325 19391 6324 1 17 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.235 0.558 19391 6325 1 17 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.282 -0.099 19391 6326 1 17 . 1 1 28 28 LEU H H 28 8.752 8.752 8.524 0.228 19391 6327 1 17 . 1 1 29 29 SER N N 29 113.375 113.375 113.024 0.351 19391 6328 1 17 . 1 1 29 29 SER HA H 29 4.440 4.440 4.464 -0.024 19391 6329 1 17 . 1 1 29 29 SER C C 29 173.707 173.707 174.364 -0.657 19391 6330 1 17 . 1 1 29 29 SER CA C 29 57.782 57.782 58.495 -0.713 19391 6331 1 17 . 1 1 29 29 SER CB C 29 63.353 63.353 63.127 0.226 19391 6332 1 17 . 1 1 29 29 SER H H 29 8.397 8.397 8.065 0.332 19391 6333 1 17 . 1 1 30 30 ALA N N 30 124.539 124.539 123.713 0.826 19391 6334 1 17 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.106 -0.194 19391 6335 1 17 . 1 1 30 30 ALA C C 30 178.198 178.198 178.618 -0.420 19391 6336 1 17 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.767 -0.191 19391 6337 1 17 . 1 1 30 30 ALA CB C 30 18.422 18.422 19.206 -0.784 19391 6338 1 17 . 1 1 30 30 ALA H H 30 7.623 7.623 7.089 0.534 19391 6339 1 17 . 1 1 31 31 GLY N N 31 109.642 109.642 107.341 2.301 19391 6340 1 17 . 1 1 31 31 GLY C C 31 174.534 174.534 173.744 0.790 19391 6341 1 17 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.061 0.181 19391 6342 1 17 . 1 1 31 31 GLY H H 31 8.713 8.713 8.780 -0.067 19391 6343 1 17 . 1 1 32 32 HIS N N 32 119.677 119.677 118.473 1.204 19391 6344 1 17 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.835 -0.271 19391 6345 1 17 . 1 1 32 32 HIS C C 32 174.544 174.544 173.554 0.990 19391 6346 1 17 . 1 1 32 32 HIS CA C 32 56.416 56.416 54.263 2.153 19391 6347 1 17 . 1 1 32 32 HIS CB C 32 29.586 29.586 32.851 -3.265 19391 6348 1 17 . 1 1 32 32 HIS H H 32 8.304 8.304 7.869 0.435 19391 6349 1 17 . 1 1 33 33 ARG N N 33 124.677 124.677 120.003 4.674 19391 6350 1 17 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.672 -0.067 19391 6351 1 17 . 1 1 33 33 ARG C C 33 174.869 174.869 174.940 -0.071 19391 6352 1 17 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.443 0.319 19391 6353 1 17 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.814 -0.614 19391 6354 1 17 . 1 1 33 33 ARG H H 33 8.731 8.731 8.598 0.133 19391 6355 1 17 . 1 1 34 34 ASP N N 34 124.378 124.378 124.890 -0.512 19391 6356 1 17 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.820 0.056 19391 6357 1 17 . 1 1 34 34 ASP C C 34 174.057 174.057 175.051 -0.994 19391 6358 1 17 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.336 0.709 19391 6359 1 17 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.047 0.805 19391 6360 1 17 . 1 1 34 34 ASP H H 34 8.387 8.387 8.684 -0.297 19391 6361 1 17 . 1 1 35 35 VAL N N 35 121.095 121.095 120.322 0.773 19391 6362 1 17 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.200 0.550 19391 6363 1 17 . 1 1 35 35 VAL C C 35 173.600 173.600 174.575 -0.975 19391 6364 1 17 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.728 -0.371 19391 6365 1 17 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.078 1.000 19391 6366 1 17 . 1 1 35 35 VAL H H 35 8.023 8.023 8.326 -0.303 19391 6367 1 17 . 1 1 36 36 PHE N N 36 122.163 122.163 124.368 -2.205 19391 6368 1 17 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.816 0.782 19391 6369 1 17 . 1 1 36 36 PHE C C 36 174.164 174.164 174.040 0.124 19391 6370 1 17 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.580 -1.872 19391 6371 1 17 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.754 1.224 19391 6372 1 17 . 1 1 36 36 PHE H H 36 8.710 8.710 8.379 0.331 19391 6373 1 17 . 1 1 37 37 TYR N N 37 116.406 116.406 119.219 -2.813 19391 6374 1 17 . 1 1 37 37 TYR HA H 37 5.687 5.687 5.081 0.606 19391 6375 1 17 . 1 1 37 37 TYR C C 37 174.694 174.694 174.081 0.613 19391 6376 1 17 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.240 0.624 19391 6377 1 17 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.168 2.309 19391 6378 1 17 . 1 1 37 37 TYR H H 37 8.552 8.552 8.113 0.439 19391 6379 1 17 . 1 1 38 38 TYR N N 38 118.594 118.594 119.717 -1.123 19391 6380 1 17 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.071 0.673 19391 6381 1 17 . 1 1 38 38 TYR C C 38 175.481 175.481 175.236 0.245 19391 6382 1 17 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.399 -0.449 19391 6383 1 17 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.270 0.017 19391 6384 1 17 . 1 1 38 38 TYR H H 38 9.445 9.445 9.013 0.432 19391 6385 1 17 . 1 1 39 39 SER N N 39 118.327 118.327 116.797 1.530 19391 6386 1 17 . 1 1 39 39 SER HA H 39 2.098 2.098 4.022 -1.924 19391 6387 1 17 . 1 1 39 39 SER C C 39 174.399 174.399 174.408 -0.009 19391 6388 1 17 . 1 1 39 39 SER CA C 39 55.375 55.375 54.242 1.133 19391 6389 1 17 . 1 1 39 39 SER CB C 39 62.873 62.873 63.634 -0.761 19391 6390 1 17 . 1 1 39 39 SER H H 39 8.808 8.808 8.285 0.523 19391 6391 1 17 . 1 1 41 41 SER HA H 41 4.452 4.452 4.459 -0.007 19391 6392 1 17 . 1 1 41 41 SER C C 41 174.963 174.963 175.614 -0.651 19391 6393 1 17 . 1 1 41 41 SER CA C 41 57.861 57.861 57.997 -0.136 19391 6394 1 17 . 1 1 41 41 SER CB C 41 63.763 63.763 63.604 0.159 19391 6395 1 17 . 1 1 42 42 GLY N N 42 111.741 111.741 110.652 1.089 19391 6396 1 17 . 1 1 42 42 GLY C C 42 173.938 173.938 173.961 -0.023 19391 6397 1 17 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.217 0.212 19391 6398 1 17 . 1 1 42 42 GLY H H 42 8.292 8.292 8.203 0.089 19391 6399 1 17 . 1 1 43 43 LYS N N 43 122.381 122.381 121.883 0.498 19391 6400 1 17 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.322 -0.231 19391 6401 1 17 . 1 1 43 43 LYS C C 43 174.049 174.049 175.618 -1.569 19391 6402 1 17 . 1 1 43 43 LYS CA C 43 56.509 56.509 55.883 0.626 19391 6403 1 17 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.001 -0.211 19391 6404 1 17 . 1 1 43 43 LYS H H 43 7.361 7.361 7.663 -0.302 19391 6405 1 17 . 1 1 44 44 LYS N N 44 125.831 125.831 128.713 -2.882 19391 6406 1 17 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.480 0.014 19391 6407 1 17 . 1 1 44 44 LYS C C 44 175.970 175.970 175.766 0.204 19391 6408 1 17 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.836 -0.127 19391 6409 1 17 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.483 2.157 19391 6410 1 17 . 1 1 44 44 LYS H H 44 8.078 8.078 8.509 -0.431 19391 6411 1 17 . 1 1 45 45 PHE N N 45 124.636 124.636 122.293 2.343 19391 6412 1 17 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.924 -0.142 19391 6413 1 17 . 1 1 45 45 PHE C C 45 176.205 176.205 173.970 2.235 19391 6414 1 17 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.023 1.930 19391 6415 1 17 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.236 1.740 19391 6416 1 17 . 1 1 45 45 PHE H H 45 9.707 9.707 7.753 1.954 19391 6417 1 17 . 1 1 46 46 ARG N N 46 117.959 117.959 122.742 -4.783 19391 6418 1 17 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.577 0.823 19391 6419 1 17 . 1 1 46 46 ARG C C 46 175.059 175.059 174.564 0.495 19391 6420 1 17 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.448 -0.126 19391 6421 1 17 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.713 2.670 19391 6422 1 17 . 1 1 46 46 ARG H H 46 9.430 9.430 8.867 0.563 19391 6423 1 17 . 1 1 47 47 SER N N 47 115.115 115.115 115.971 -0.856 19391 6424 1 17 . 1 1 47 47 SER HA H 47 4.069 4.069 4.520 -0.451 19391 6425 1 17 . 1 1 47 47 SER C C 47 172.762 172.762 174.309 -1.547 19391 6426 1 17 . 1 1 47 47 SER CA C 47 56.797 56.797 57.400 -0.603 19391 6427 1 17 . 1 1 47 47 SER CB C 47 66.892 66.892 66.212 0.680 19391 6428 1 17 . 1 1 47 47 SER H H 47 7.926 7.926 7.985 -0.059 19391 6429 1 17 . 1 1 48 48 LYS N N 48 122.914 122.914 125.885 -2.971 19391 6430 1 17 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.015 0.084 19391 6431 1 17 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.115 1.455 19391 6432 1 17 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.337 -0.087 19391 6433 1 17 . 1 1 48 48 LYS H H 48 8.994 8.994 8.646 0.348 19391 6434 1 17 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.214 0.170 19391 6435 1 17 . 1 1 49 49 PRO C C 49 179.505 179.505 179.085 0.420 19391 6436 1 17 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.991 0.271 19391 6437 1 17 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.247 0.007 19391 6438 1 17 . 1 1 50 50 GLN N N 50 116.141 116.141 116.486 -0.345 19391 6439 1 17 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.132 0.027 19391 6440 1 17 . 1 1 50 50 GLN C C 50 179.539 179.539 178.620 0.919 19391 6441 1 17 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.669 0.544 19391 6442 1 17 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.209 1.156 19391 6443 1 17 . 1 1 50 50 GLN H H 50 7.333 7.333 7.714 -0.381 19391 6444 1 17 . 1 1 51 51 LEU N N 51 122.318 122.318 120.734 1.584 19391 6445 1 17 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.007 -0.195 19391 6446 1 17 . 1 1 51 51 LEU C C 51 177.948 177.948 178.713 -0.765 19391 6447 1 17 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.695 0.449 19391 6448 1 17 . 1 1 51 51 LEU CB C 51 43.451 43.451 40.815 2.636 19391 6449 1 17 . 1 1 51 51 LEU H H 51 7.957 7.957 7.706 0.251 19391 6450 1 17 . 1 1 52 52 ALA N N 52 120.627 120.627 121.478 -0.851 19391 6451 1 17 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.932 -0.022 19391 6452 1 17 . 1 1 52 52 ALA C C 52 181.360 181.360 179.487 1.873 19391 6453 1 17 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.950 -0.056 19391 6454 1 17 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.489 -0.303 19391 6455 1 17 . 1 1 52 52 ALA H H 52 9.134 9.134 7.860 1.274 19391 6456 1 17 . 1 1 53 53 ARG N N 53 118.087 118.087 118.746 -0.659 19391 6457 1 17 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.971 0.139 19391 6458 1 17 . 1 1 53 53 ARG C C 53 178.186 178.186 178.667 -0.481 19391 6459 1 17 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.121 0.175 19391 6460 1 17 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.274 0.281 19391 6461 1 17 . 1 1 53 53 ARG H H 53 8.095 8.095 7.963 0.132 19391 6462 1 17 . 1 1 54 54 TYR N N 54 119.692 119.692 119.278 0.414 19391 6463 1 17 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.257 0.120 19391 6464 1 17 . 1 1 54 54 TYR C C 54 177.809 177.809 177.134 0.675 19391 6465 1 17 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.944 0.398 19391 6466 1 17 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.931 1.468 19391 6467 1 17 . 1 1 54 54 TYR H H 54 7.584 7.584 7.890 -0.306 19391 6468 1 17 . 1 1 55 55 LEU N N 55 117.313 117.313 117.289 0.024 19391 6469 1 17 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.485 -0.330 19391 6470 1 17 . 1 1 55 55 LEU C C 55 178.784 178.784 177.554 1.230 19391 6471 1 17 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.752 1.036 19391 6472 1 17 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.068 1.715 19391 6473 1 17 . 1 1 55 55 LEU H H 55 8.279 8.279 8.082 0.197 19391 6474 1 17 . 1 1 56 56 GLY N N 56 108.526 108.526 106.204 2.322 19391 6475 1 17 . 1 1 56 56 GLY C C 56 174.749 174.749 174.892 -0.143 19391 6476 1 17 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.582 1.169 19391 6477 1 17 . 1 1 56 56 GLY H H 56 7.911 7.911 7.879 0.032 19391 6478 1 17 . 1 1 57 57 GLY N N 57 109.514 109.514 108.884 0.630 19391 6479 1 17 . 1 1 57 57 GLY C C 57 175.034 175.034 176.391 -1.357 19391 6480 1 17 . 1 1 57 57 GLY CA C 57 45.648 45.648 47.056 -1.408 19391 6481 1 17 . 1 1 57 57 GLY H H 57 8.644 8.644 8.457 0.187 19391 6482 1 17 . 1 1 58 58 SER N N 58 114.666 114.666 118.969 -4.303 19391 6483 1 17 . 1 1 58 58 SER HA H 58 4.355 4.355 4.237 0.118 19391 6484 1 17 . 1 1 58 58 SER C C 58 173.748 173.748 174.528 -0.780 19391 6485 1 17 . 1 1 58 58 SER CA C 58 60.013 60.013 60.683 -0.670 19391 6486 1 17 . 1 1 58 58 SER CB C 58 64.173 64.173 63.902 0.271 19391 6487 1 17 . 1 1 58 58 SER H H 58 8.058 8.058 8.659 -0.601 19391 6488 1 17 . 1 1 59 59 MET N N 59 118.467 118.467 118.672 -0.205 19391 6489 1 17 . 1 1 59 59 MET HA H 59 4.475 4.475 4.519 -0.044 19391 6490 1 17 . 1 1 59 59 MET C C 59 172.909 172.909 173.332 -0.423 19391 6491 1 17 . 1 1 59 59 MET CA C 59 56.185 56.185 54.986 1.199 19391 6492 1 17 . 1 1 59 59 MET CB C 59 35.552 35.552 36.585 -1.033 19391 6493 1 17 . 1 1 59 59 MET H H 59 7.442 7.442 7.883 -0.441 19391 6494 1 17 . 1 1 60 60 ASP N N 60 121.779 121.779 120.783 0.996 19391 6495 1 17 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.787 -0.093 19391 6496 1 17 . 1 1 60 60 ASP C C 60 176.867 176.867 175.520 1.347 19391 6497 1 17 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.021 0.260 19391 6498 1 17 . 1 1 60 60 ASP CB C 60 40.980 40.980 41.691 -0.711 19391 6499 1 17 . 1 1 60 60 ASP H H 60 8.401 8.401 8.497 -0.096 19391 6500 1 17 . 1 1 61 61 LEU N N 61 126.474 126.474 125.930 0.544 19391 6501 1 17 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.679 -0.285 19391 6502 1 17 . 1 1 61 61 LEU C C 61 178.536 178.536 177.738 0.798 19391 6503 1 17 . 1 1 61 61 LEU CA C 61 54.039 54.039 53.885 0.154 19391 6504 1 17 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.732 -0.119 19391 6505 1 17 . 1 1 61 61 LEU H H 61 9.015 9.015 8.602 0.413 19391 6506 1 17 . 1 1 62 62 SER N N 62 120.014 120.014 117.831 2.183 19391 6507 1 17 . 1 1 62 62 SER HA H 62 4.125 4.125 4.242 -0.117 19391 6508 1 17 . 1 1 62 62 SER C C 62 176.669 176.669 175.487 1.182 19391 6509 1 17 . 1 1 62 62 SER CA C 62 63.345 63.345 61.402 1.943 19391 6510 1 17 . 1 1 62 62 SER CB C 62 62.553 62.553 63.319 -0.765 19391 6511 1 17 . 1 1 62 62 SER H H 62 8.871 8.871 8.080 0.791 19391 6512 1 17 . 1 1 63 63 THR N N 63 110.495 110.495 114.180 -3.685 19391 6513 1 17 . 1 1 63 63 THR HA H 63 4.510 4.510 4.375 0.135 19391 6514 1 17 . 1 1 63 63 THR C C 63 173.862 173.862 173.875 -0.013 19391 6515 1 17 . 1 1 63 63 THR CA C 63 61.006 61.006 61.193 -0.187 19391 6516 1 17 . 1 1 63 63 THR CB C 63 67.976 67.976 67.982 -0.006 19391 6517 1 17 . 1 1 63 63 THR H H 63 8.363 8.363 7.959 0.404 19391 6518 1 17 . 1 1 64 64 PHE N N 64 123.605 123.605 123.321 0.284 19391 6519 1 17 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.553 0.063 19391 6520 1 17 . 1 1 64 64 PHE C C 64 173.716 173.716 173.915 -0.199 19391 6521 1 17 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.227 0.790 19391 6522 1 17 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.340 -0.396 19391 6523 1 17 . 1 1 64 64 PHE H H 64 7.472 7.472 7.950 -0.478 19391 6524 1 17 . 1 1 65 65 ASP N N 65 129.564 129.564 127.456 2.108 19391 6525 1 17 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.405 0.122 19391 6526 1 17 . 1 1 65 65 ASP C C 65 173.973 173.973 175.280 -1.307 19391 6527 1 17 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.356 0.457 19391 6528 1 17 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.418 0.530 19391 6529 1 17 . 1 1 65 65 ASP H H 65 8.574 8.574 8.507 0.067 19391 6530 1 17 . 1 1 66 66 PHE N N 66 128.221 128.221 128.554 -0.333 19391 6531 1 17 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.381 -0.724 19391 6532 1 17 . 1 1 66 66 PHE C C 66 177.535 177.535 176.378 1.157 19391 6533 1 17 . 1 1 66 66 PHE CA C 66 61.746 61.746 59.970 1.776 19391 6534 1 17 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.587 1.655 19391 6535 1 17 . 1 1 66 66 PHE H H 66 8.886 8.886 8.211 0.675 19391 6536 1 17 . 1 1 67 67 ARG N N 67 116.246 116.246 116.958 -0.712 19391 6537 1 17 . 1 1 67 67 ARG HA H 67 4.761 4.761 3.576 1.185 19391 6538 1 17 . 1 1 67 67 ARG C C 67 178.024 178.024 177.679 0.345 19391 6539 1 17 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.260 1.401 19391 6540 1 17 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.838 -0.109 19391 6541 1 17 . 1 1 67 67 ARG H H 67 8.804 8.804 7.941 0.863 19391 6542 1 17 . 1 1 68 68 THR N N 68 105.409 105.409 107.057 -1.648 19391 6543 1 17 . 1 1 68 68 THR HA H 68 4.199 4.199 4.275 -0.076 19391 6544 1 17 . 1 1 68 68 THR C C 68 176.417 176.417 175.430 0.987 19391 6545 1 17 . 1 1 68 68 THR CA C 68 62.233 62.233 62.025 0.208 19391 6546 1 17 . 1 1 68 68 THR CB C 68 71.221 71.221 69.986 1.235 19391 6547 1 17 . 1 1 68 68 THR H H 68 7.407 7.407 8.148 -0.741 19391 6548 1 17 . 1 1 69 69 GLY N N 69 113.199 113.199 112.005 1.194 19391 6549 1 17 . 1 1 69 69 GLY CA C 69 47.214 47.214 46.021 1.193 19391 6550 1 17 . 1 1 69 69 GLY H H 69 8.344 8.344 7.970 0.374 19391 6551 1 17 . 1 1 70 70 LYS N N 70 116.533 116.533 117.360 -0.827 19391 6552 1 17 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.790 -0.392 19391 6553 1 17 . 1 1 70 70 LYS C C 70 175.022 175.022 174.973 0.049 19391 6554 1 17 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.789 0.824 19391 6555 1 17 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.372 -1.297 19391 6556 1 17 . 1 1 70 70 LYS H H 70 6.887 6.887 7.018 -0.131 19391 6557 1 17 . 1 1 71 71 MET N N 71 119.590 119.590 121.819 -2.229 19391 6558 1 17 . 1 1 71 71 MET HA H 71 4.770 4.770 4.622 0.148 19391 6559 1 17 . 1 1 71 71 MET C C 71 175.810 175.810 175.614 0.196 19391 6560 1 17 . 1 1 71 71 MET CA C 71 54.296 54.296 56.171 -1.875 19391 6561 1 17 . 1 1 71 71 MET CB C 71 32.118 32.118 33.265 -1.147 19391 6562 1 17 . 1 1 71 71 MET H H 71 8.423 8.423 8.722 -0.299 19391 6563 1 18 . 1 1 2 2 SER HA H 2 4.500 4.500 4.530 -0.030 19391 6564 1 18 . 1 1 2 2 SER C C 2 174.803 174.803 176.198 -1.395 19391 6565 1 18 . 1 1 2 2 SER CA C 2 58.624 58.624 58.693 -0.069 19391 6566 1 18 . 1 1 2 2 SER CB C 2 63.986 63.986 63.350 0.636 19391 6567 1 18 . 1 1 3 3 MET N N 3 122.348 122.348 122.681 -0.333 19391 6568 1 18 . 1 1 3 3 MET HA H 3 4.546 4.546 4.410 0.136 19391 6569 1 18 . 1 1 3 3 MET C C 3 175.969 175.969 175.485 0.484 19391 6570 1 18 . 1 1 3 3 MET CA C 3 55.560 55.560 54.113 1.447 19391 6571 1 18 . 1 1 3 3 MET CB C 3 32.667 32.667 29.668 2.999 19391 6572 1 18 . 1 1 3 3 MET H H 3 8.636 8.636 8.210 0.426 19391 6573 1 18 . 1 1 4 4 GLU N N 4 121.792 121.792 117.280 4.512 19391 6574 1 18 . 1 1 4 4 GLU HA H 4 4.303 4.303 3.897 0.406 19391 6575 1 18 . 1 1 4 4 GLU C C 4 175.884 175.884 174.581 1.303 19391 6576 1 18 . 1 1 4 4 GLU CA C 4 56.531 56.531 57.801 -1.270 19391 6577 1 18 . 1 1 4 4 GLU CB C 4 30.594 30.594 29.487 1.107 19391 6578 1 18 . 1 1 4 4 GLU H H 4 8.337 8.337 8.766 -0.429 19391 6579 1 18 . 1 1 5 5 ARG N N 5 122.592 122.592 116.898 5.694 19391 6580 1 18 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.724 -0.195 19391 6581 1 18 . 1 1 5 5 ARG C C 5 175.556 175.556 174.015 1.541 19391 6582 1 18 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.434 0.574 19391 6583 1 18 . 1 1 5 5 ARG CB C 5 31.177 31.177 33.218 -2.041 19391 6584 1 18 . 1 1 5 5 ARG H H 5 8.319 8.319 7.448 0.871 19391 6585 1 18 . 1 1 6 6 LYS N N 6 123.750 123.750 124.504 -0.754 19391 6586 1 18 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.495 -0.090 19391 6587 1 18 . 1 1 6 6 LYS C C 6 174.335 174.335 174.166 0.169 19391 6588 1 18 . 1 1 6 6 LYS CA C 6 55.587 55.587 54.061 1.526 19391 6589 1 18 . 1 1 6 6 LYS CB C 6 34.698 34.698 33.221 1.477 19391 6590 1 18 . 1 1 6 6 LYS H H 6 8.372 8.372 7.915 0.457 19391 6591 1 18 . 1 1 7 7 ARG N N 7 121.789 121.789 126.855 -5.066 19391 6592 1 18 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.984 0.041 19391 6593 1 18 . 1 1 7 7 ARG C C 7 174.998 174.998 174.381 0.617 19391 6594 1 18 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.968 -0.091 19391 6595 1 18 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.067 2.018 19391 6596 1 18 . 1 1 7 7 ARG H H 7 7.894 7.894 8.304 -0.410 19391 6597 1 18 . 1 1 8 8 TRP N N 8 122.774 122.774 126.274 -3.500 19391 6598 1 18 . 1 1 8 8 TRP HA H 8 4.971 4.971 5.002 -0.031 19391 6599 1 18 . 1 1 8 8 TRP C C 8 175.679 175.679 175.133 0.546 19391 6600 1 18 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.367 0.975 19391 6601 1 18 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.649 1.395 19391 6602 1 18 . 1 1 8 8 TRP H H 8 9.002 9.002 8.827 0.175 19391 6603 1 18 . 1 1 9 9 GLU N N 9 121.587 121.587 119.680 1.907 19391 6604 1 18 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.531 -0.057 19391 6605 1 18 . 1 1 9 9 GLU C C 9 176.133 176.133 176.202 -0.069 19391 6606 1 18 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.501 0.986 19391 6607 1 18 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.101 -0.847 19391 6608 1 18 . 1 1 9 9 GLU H H 9 8.879 8.879 8.731 0.148 19391 6609 1 18 . 1 1 10 10 CYS N N 10 122.770 122.770 126.107 -3.337 19391 6610 1 18 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.007 0.218 19391 6611 1 18 . 1 1 10 10 CYS C C 10 173.480 173.480 174.097 -0.617 19391 6612 1 18 . 1 1 10 10 CYS CA C 10 56.051 56.051 56.634 -0.583 19391 6613 1 18 . 1 1 10 10 CYS CB C 10 28.275 28.275 27.616 0.658 19391 6614 1 18 . 1 1 10 10 CYS H H 10 8.351 8.351 8.500 -0.149 19391 6615 1 18 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.268 0.376 19391 6616 1 18 . 1 1 11 11 PRO C C 11 176.160 176.160 177.355 -1.195 19391 6617 1 18 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.824 -0.060 19391 6618 1 18 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.949 0.256 19391 6619 1 18 . 1 1 12 12 ALA N N 12 118.459 118.459 117.755 0.704 19391 6620 1 18 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.154 0.110 19391 6621 1 18 . 1 1 12 12 ALA C C 12 176.998 176.998 177.699 -0.701 19391 6622 1 18 . 1 1 12 12 ALA CA C 12 53.174 53.174 53.324 -0.150 19391 6623 1 18 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.107 1.089 19391 6624 1 18 . 1 1 12 12 ALA H H 12 7.635 7.635 8.245 -0.610 19391 6625 1 18 . 1 1 13 13 LEU N N 13 117.171 117.171 119.650 -2.479 19391 6626 1 18 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.453 -0.138 19391 6627 1 18 . 1 1 13 13 LEU C C 13 173.277 173.277 174.825 -1.548 19391 6628 1 18 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.054 0.103 19391 6629 1 18 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.281 -0.301 19391 6630 1 18 . 1 1 13 13 LEU H H 13 7.449 7.449 7.399 0.050 19391 6631 1 18 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.381 0.053 19391 6632 1 18 . 1 1 14 14 PRO C C 14 174.999 174.999 176.473 -1.474 19391 6633 1 18 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.645 0.053 19391 6634 1 18 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.563 -0.752 19391 6635 1 18 . 1 1 15 15 GLN N N 15 120.091 120.091 120.397 -0.306 19391 6636 1 18 . 1 1 15 15 GLN HA H 15 4.149 4.149 3.857 0.292 19391 6637 1 18 . 1 1 15 15 GLN C C 15 177.099 177.099 176.967 0.132 19391 6638 1 18 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.921 0.412 19391 6639 1 18 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.624 0.232 19391 6640 1 18 . 1 1 15 15 GLN H H 15 8.368 8.368 8.546 -0.178 19391 6641 1 18 . 1 1 16 16 GLY N N 16 113.023 113.023 113.417 -0.394 19391 6642 1 18 . 1 1 16 16 GLY C C 16 174.735 174.735 173.929 0.806 19391 6643 1 18 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.778 0.515 19391 6644 1 18 . 1 1 16 16 GLY H H 16 8.828 8.828 9.059 -0.231 19391 6645 1 18 . 1 1 17 17 TRP N N 17 121.152 121.152 122.972 -1.820 19391 6646 1 18 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.263 -0.446 19391 6647 1 18 . 1 1 17 17 TRP C C 17 177.275 177.275 175.507 1.768 19391 6648 1 18 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.106 2.047 19391 6649 1 18 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.377 -0.087 19391 6650 1 18 . 1 1 17 17 TRP H H 17 8.006 8.006 8.067 -0.061 19391 6651 1 18 . 1 1 18 18 GLU N N 18 120.147 120.147 120.293 -0.146 19391 6652 1 18 . 1 1 18 18 GLU HA H 18 5.255 5.255 5.359 -0.104 19391 6653 1 18 . 1 1 18 18 GLU C C 18 174.373 174.373 175.257 -0.884 19391 6654 1 18 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.451 -0.360 19391 6655 1 18 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.541 0.834 19391 6656 1 18 . 1 1 18 18 GLU H H 18 8.934 8.934 9.129 -0.195 19391 6657 1 18 . 1 1 19 19 ARG N N 19 122.215 122.215 119.902 2.313 19391 6658 1 18 . 1 1 19 19 ARG HA H 19 5.006 5.006 5.059 -0.053 19391 6659 1 18 . 1 1 19 19 ARG C C 19 174.040 174.040 174.747 -0.707 19391 6660 1 18 . 1 1 19 19 ARG CA C 19 54.366 54.366 53.808 0.558 19391 6661 1 18 . 1 1 19 19 ARG CB C 19 34.890 34.890 34.273 0.617 19391 6662 1 18 . 1 1 19 19 ARG H H 19 9.300 9.300 9.263 0.037 19391 6663 1 18 . 1 1 20 20 GLU N N 20 127.885 127.885 120.104 7.781 19391 6664 1 18 . 1 1 20 20 GLU HA H 20 5.285 5.285 5.087 0.198 19391 6665 1 18 . 1 1 20 20 GLU C C 20 173.582 173.582 174.484 -0.902 19391 6666 1 18 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.955 -0.501 19391 6667 1 18 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.389 2.183 19391 6668 1 18 . 1 1 20 20 GLU H H 20 9.460 9.460 8.530 0.930 19391 6669 1 18 . 1 1 21 21 GLU N N 21 123.590 123.590 125.740 -2.150 19391 6670 1 18 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.605 0.713 19391 6671 1 18 . 1 1 21 21 GLU C C 21 176.091 176.091 175.000 1.091 19391 6672 1 18 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.387 -0.929 19391 6673 1 18 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.702 0.150 19391 6674 1 18 . 1 1 21 21 GLU H H 21 8.580 8.580 8.049 0.531 19391 6675 1 18 . 1 1 22 22 VAL N N 22 123.718 123.718 123.359 0.359 19391 6676 1 18 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.675 0.093 19391 6677 1 18 . 1 1 22 22 VAL C C 22 169.573 169.573 173.155 -3.582 19391 6678 1 18 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.709 0.279 19391 6679 1 18 . 1 1 22 22 VAL CB C 22 35.259 35.259 35.219 0.040 19391 6680 1 18 . 1 1 22 22 VAL H H 22 9.177 9.177 8.707 0.470 19391 6681 1 18 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.564 0.191 19391 6682 1 18 . 1 1 23 23 PRO C C 23 176.679 176.679 175.706 0.973 19391 6683 1 18 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.476 -0.012 19391 6684 1 18 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.240 -0.143 19391 6685 1 18 . 1 1 24 24 ARG N N 24 123.629 123.629 122.650 0.979 19391 6686 1 18 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.474 0.014 19391 6687 1 18 . 1 1 24 24 ARG C C 24 177.926 177.926 175.659 2.267 19391 6688 1 18 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.477 0.953 19391 6689 1 18 . 1 1 24 24 ARG CB C 24 30.988 30.988 32.370 -1.383 19391 6690 1 18 . 1 1 24 24 ARG H H 24 8.726 8.726 8.695 0.031 19391 6691 1 18 . 1 1 25 25 ARG N N 25 124.327 124.327 121.731 2.596 19391 6692 1 18 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.636 -0.293 19391 6693 1 18 . 1 1 25 25 ARG C C 25 176.213 176.213 175.164 1.049 19391 6694 1 18 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.698 1.772 19391 6695 1 18 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.460 -0.252 19391 6696 1 18 . 1 1 25 25 ARG H H 25 9.070 9.070 8.644 0.426 19391 6697 1 18 . 1 1 26 26 SER N N 26 114.348 114.348 118.002 -3.654 19391 6698 1 18 . 1 1 26 26 SER HA H 26 4.652 4.652 4.531 0.121 19391 6699 1 18 . 1 1 26 26 SER C C 26 173.704 173.704 174.484 -0.780 19391 6700 1 18 . 1 1 26 26 SER CA C 26 57.727 57.727 57.827 -0.100 19391 6701 1 18 . 1 1 26 26 SER CB C 26 65.099 65.099 64.888 0.211 19391 6702 1 18 . 1 1 26 26 SER H H 26 8.071 8.071 8.358 -0.287 19391 6703 1 18 . 1 1 27 27 GLY N N 27 108.224 108.224 110.118 -1.894 19391 6704 1 18 . 1 1 27 27 GLY C C 27 175.321 175.321 176.166 -0.845 19391 6705 1 18 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.820 -0.657 19391 6706 1 18 . 1 1 27 27 GLY H H 27 8.433 8.433 8.505 -0.072 19391 6707 1 18 . 1 1 28 28 LEU N N 28 122.251 122.251 118.513 3.738 19391 6708 1 18 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.301 -0.052 19391 6709 1 18 . 1 1 28 28 LEU C C 28 178.691 178.691 178.072 0.619 19391 6710 1 18 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.831 -0.038 19391 6711 1 18 . 1 1 28 28 LEU CB C 28 42.183 42.183 41.835 0.348 19391 6712 1 18 . 1 1 28 28 LEU H H 28 8.752 8.752 8.113 0.639 19391 6713 1 18 . 1 1 29 29 SER N N 29 113.375 113.375 113.912 -0.537 19391 6714 1 18 . 1 1 29 29 SER HA H 29 4.440 4.440 3.729 0.711 19391 6715 1 18 . 1 1 29 29 SER C C 29 173.707 173.707 173.790 -0.083 19391 6716 1 18 . 1 1 29 29 SER CA C 29 57.782 57.782 58.238 -0.456 19391 6717 1 18 . 1 1 29 29 SER CB C 29 63.353 63.353 62.700 0.653 19391 6718 1 18 . 1 1 29 29 SER H H 29 8.397 8.397 7.970 0.427 19391 6719 1 18 . 1 1 30 30 ALA N N 30 124.539 124.539 122.593 1.946 19391 6720 1 18 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.067 -0.155 19391 6721 1 18 . 1 1 30 30 ALA C C 30 178.198 178.198 177.643 0.555 19391 6722 1 18 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.394 0.182 19391 6723 1 18 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.787 -0.365 19391 6724 1 18 . 1 1 30 30 ALA H H 30 7.623 7.623 6.993 0.630 19391 6725 1 18 . 1 1 31 31 GLY N N 31 109.642 109.642 110.474 -0.832 19391 6726 1 18 . 1 1 31 31 GLY C C 31 174.534 174.534 174.851 -0.317 19391 6727 1 18 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.025 0.217 19391 6728 1 18 . 1 1 31 31 GLY H H 31 8.713 8.713 8.695 0.018 19391 6729 1 18 . 1 1 32 32 HIS N N 32 119.677 119.677 122.361 -2.684 19391 6730 1 18 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.250 0.314 19391 6731 1 18 . 1 1 32 32 HIS C C 32 174.544 174.544 173.947 0.597 19391 6732 1 18 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.478 -0.062 19391 6733 1 18 . 1 1 32 32 HIS CB C 32 29.586 29.586 29.789 -0.203 19391 6734 1 18 . 1 1 32 32 HIS H H 32 8.304 8.304 7.932 0.372 19391 6735 1 18 . 1 1 33 33 ARG N N 33 124.677 124.677 127.080 -2.403 19391 6736 1 18 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.771 -0.166 19391 6737 1 18 . 1 1 33 33 ARG C C 33 174.869 174.869 174.528 0.341 19391 6738 1 18 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.611 1.151 19391 6739 1 18 . 1 1 33 33 ARG CB C 33 31.200 31.200 33.202 -2.002 19391 6740 1 18 . 1 1 33 33 ARG H H 33 8.731 8.731 8.332 0.399 19391 6741 1 18 . 1 1 34 34 ASP N N 34 124.378 124.378 125.457 -1.079 19391 6742 1 18 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.853 0.023 19391 6743 1 18 . 1 1 34 34 ASP C C 34 174.057 174.057 174.536 -0.479 19391 6744 1 18 . 1 1 34 34 ASP CA C 34 54.045 54.045 52.322 1.723 19391 6745 1 18 . 1 1 34 34 ASP CB C 34 43.852 43.852 42.640 1.212 19391 6746 1 18 . 1 1 34 34 ASP H H 34 8.387 8.387 8.371 0.016 19391 6747 1 18 . 1 1 35 35 VAL N N 35 121.095 121.095 120.251 0.844 19391 6748 1 18 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.594 0.156 19391 6749 1 18 . 1 1 35 35 VAL C C 35 173.600 173.600 174.686 -1.086 19391 6750 1 18 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.595 0.762 19391 6751 1 18 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.473 0.605 19391 6752 1 18 . 1 1 35 35 VAL H H 35 8.023 8.023 7.946 0.077 19391 6753 1 18 . 1 1 36 36 PHE N N 36 122.163 122.163 125.161 -2.998 19391 6754 1 18 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.681 0.917 19391 6755 1 18 . 1 1 36 36 PHE C C 36 174.164 174.164 174.102 0.062 19391 6756 1 18 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.382 -1.674 19391 6757 1 18 . 1 1 36 36 PHE CB C 36 43.978 43.978 41.452 2.526 19391 6758 1 18 . 1 1 36 36 PHE H H 36 8.710 8.710 8.541 0.169 19391 6759 1 18 . 1 1 37 37 TYR N N 37 116.406 116.406 117.860 -1.454 19391 6760 1 18 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.965 0.722 19391 6761 1 18 . 1 1 37 37 TYR C C 37 174.694 174.694 174.003 0.691 19391 6762 1 18 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.344 0.520 19391 6763 1 18 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.512 1.965 19391 6764 1 18 . 1 1 37 37 TYR H H 37 8.552 8.552 7.929 0.623 19391 6765 1 18 . 1 1 38 38 TYR N N 38 118.594 118.594 119.250 -0.656 19391 6766 1 18 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.433 0.311 19391 6767 1 18 . 1 1 38 38 TYR C C 38 175.481 175.481 175.507 -0.026 19391 6768 1 18 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.885 0.065 19391 6769 1 18 . 1 1 38 38 TYR CB C 38 42.287 42.287 42.624 -0.337 19391 6770 1 18 . 1 1 38 38 TYR H H 38 9.445 9.445 9.386 0.059 19391 6771 1 18 . 1 1 39 39 SER N N 39 118.327 118.327 117.619 0.708 19391 6772 1 18 . 1 1 39 39 SER HA H 39 2.098 2.098 4.027 -1.929 19391 6773 1 18 . 1 1 39 39 SER C C 39 174.399 174.399 174.097 0.302 19391 6774 1 18 . 1 1 39 39 SER CA C 39 55.375 55.375 55.072 0.303 19391 6775 1 18 . 1 1 39 39 SER CB C 39 62.873 62.873 62.971 -0.098 19391 6776 1 18 . 1 1 39 39 SER H H 39 8.808 8.808 8.352 0.456 19391 6777 1 18 . 1 1 41 41 SER HA H 41 4.452 4.452 4.400 0.052 19391 6778 1 18 . 1 1 41 41 SER C C 41 174.963 174.963 175.901 -0.938 19391 6779 1 18 . 1 1 41 41 SER CA C 41 57.861 57.861 58.230 -0.369 19391 6780 1 18 . 1 1 41 41 SER CB C 41 63.763 63.763 63.645 0.118 19391 6781 1 18 . 1 1 42 42 GLY N N 42 111.741 111.741 110.666 1.075 19391 6782 1 18 . 1 1 42 42 GLY C C 42 173.938 173.938 174.004 -0.066 19391 6783 1 18 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.391 0.038 19391 6784 1 18 . 1 1 42 42 GLY H H 42 8.292 8.292 8.120 0.172 19391 6785 1 18 . 1 1 43 43 LYS N N 43 122.381 122.381 121.460 0.921 19391 6786 1 18 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.228 -0.137 19391 6787 1 18 . 1 1 43 43 LYS C C 43 174.049 174.049 175.780 -1.731 19391 6788 1 18 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.414 0.095 19391 6789 1 18 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.074 -0.284 19391 6790 1 18 . 1 1 43 43 LYS H H 43 7.361 7.361 7.557 -0.196 19391 6791 1 18 . 1 1 44 44 LYS N N 44 125.831 125.831 128.125 -2.294 19391 6792 1 18 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.512 -0.018 19391 6793 1 18 . 1 1 44 44 LYS C C 44 175.970 175.970 175.801 0.169 19391 6794 1 18 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.731 -0.022 19391 6795 1 18 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.390 2.250 19391 6796 1 18 . 1 1 44 44 LYS H H 44 8.078 8.078 8.489 -0.411 19391 6797 1 18 . 1 1 45 45 PHE N N 45 124.636 124.636 122.168 2.468 19391 6798 1 18 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.973 -0.191 19391 6799 1 18 . 1 1 45 45 PHE C C 45 176.205 176.205 173.920 2.285 19391 6800 1 18 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.193 1.760 19391 6801 1 18 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.436 1.540 19391 6802 1 18 . 1 1 45 45 PHE H H 45 9.707 9.707 7.679 2.028 19391 6803 1 18 . 1 1 46 46 ARG N N 46 117.959 117.959 120.474 -2.515 19391 6804 1 18 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.867 0.533 19391 6805 1 18 . 1 1 46 46 ARG C C 46 175.059 175.059 174.733 0.326 19391 6806 1 18 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.763 -0.441 19391 6807 1 18 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.846 2.537 19391 6808 1 18 . 1 1 46 46 ARG H H 46 9.430 9.430 8.694 0.736 19391 6809 1 18 . 1 1 47 47 SER N N 47 115.115 115.115 117.004 -1.889 19391 6810 1 18 . 1 1 47 47 SER HA H 47 4.069 4.069 4.420 -0.351 19391 6811 1 18 . 1 1 47 47 SER C C 47 172.762 172.762 174.355 -1.593 19391 6812 1 18 . 1 1 47 47 SER CA C 47 56.797 56.797 57.511 -0.714 19391 6813 1 18 . 1 1 47 47 SER CB C 47 66.892 66.892 65.929 0.963 19391 6814 1 18 . 1 1 47 47 SER H H 47 7.926 7.926 8.000 -0.074 19391 6815 1 18 . 1 1 48 48 LYS N N 48 122.914 122.914 126.077 -3.163 19391 6816 1 18 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.114 -0.015 19391 6817 1 18 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.933 1.637 19391 6818 1 18 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.445 -0.195 19391 6819 1 18 . 1 1 48 48 LYS H H 48 8.994 8.994 8.701 0.293 19391 6820 1 18 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.276 0.108 19391 6821 1 18 . 1 1 49 49 PRO C C 49 179.505 179.505 179.095 0.410 19391 6822 1 18 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.964 0.298 19391 6823 1 18 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.188 0.066 19391 6824 1 18 . 1 1 50 50 GLN N N 50 116.141 116.141 116.352 -0.211 19391 6825 1 18 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.167 -0.008 19391 6826 1 18 . 1 1 50 50 GLN C C 50 179.539 179.539 178.824 0.715 19391 6827 1 18 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.855 0.359 19391 6828 1 18 . 1 1 50 50 GLN CB C 50 29.365 29.365 27.905 1.460 19391 6829 1 18 . 1 1 50 50 GLN H H 50 7.333 7.333 8.620 -1.287 19391 6830 1 18 . 1 1 51 51 LEU N N 51 122.318 122.318 120.183 2.135 19391 6831 1 18 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.915 -0.103 19391 6832 1 18 . 1 1 51 51 LEU C C 51 177.948 177.948 178.708 -0.760 19391 6833 1 18 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.879 0.265 19391 6834 1 18 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.679 1.772 19391 6835 1 18 . 1 1 51 51 LEU H H 51 7.957 7.957 7.712 0.245 19391 6836 1 18 . 1 1 52 52 ALA N N 52 120.627 120.627 121.570 -0.943 19391 6837 1 18 . 1 1 52 52 ALA HA H 52 3.910 3.910 4.182 -0.272 19391 6838 1 18 . 1 1 52 52 ALA C C 52 181.360 181.360 179.847 1.513 19391 6839 1 18 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.462 0.432 19391 6840 1 18 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.490 -0.304 19391 6841 1 18 . 1 1 52 52 ALA H H 52 9.134 9.134 8.021 1.113 19391 6842 1 18 . 1 1 53 53 ARG N N 53 118.087 118.087 119.528 -1.441 19391 6843 1 18 . 1 1 53 53 ARG HA H 53 4.110 4.110 4.012 0.098 19391 6844 1 18 . 1 1 53 53 ARG C C 53 178.186 178.186 177.715 0.471 19391 6845 1 18 . 1 1 53 53 ARG CA C 53 59.296 59.296 58.608 0.688 19391 6846 1 18 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.069 0.486 19391 6847 1 18 . 1 1 53 53 ARG H H 53 8.095 8.095 8.486 -0.391 19391 6848 1 18 . 1 1 54 54 TYR N N 54 119.692 119.692 117.023 2.669 19391 6849 1 18 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.459 -0.082 19391 6850 1 18 . 1 1 54 54 TYR C C 54 177.809 177.809 176.331 1.478 19391 6851 1 18 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.540 0.802 19391 6852 1 18 . 1 1 54 54 TYR CB C 54 40.399 40.399 39.932 0.467 19391 6853 1 18 . 1 1 54 54 TYR H H 54 7.584 7.584 7.724 -0.140 19391 6854 1 18 . 1 1 55 55 LEU N N 55 117.313 117.313 116.684 0.629 19391 6855 1 18 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.540 -0.385 19391 6856 1 18 . 1 1 55 55 LEU C C 55 178.784 178.784 177.365 1.419 19391 6857 1 18 . 1 1 55 55 LEU CA C 55 55.788 55.788 53.844 1.944 19391 6858 1 18 . 1 1 55 55 LEU CB C 55 42.783 42.783 43.669 -0.886 19391 6859 1 18 . 1 1 55 55 LEU H H 55 8.279 8.279 8.357 -0.078 19391 6860 1 18 . 1 1 56 56 GLY N N 56 108.526 108.526 107.739 0.787 19391 6861 1 18 . 1 1 56 56 GLY C C 56 174.749 174.749 175.151 -0.402 19391 6862 1 18 . 1 1 56 56 GLY CA C 56 46.751 46.751 47.144 -0.393 19391 6863 1 18 . 1 1 56 56 GLY H H 56 7.911 7.911 8.534 -0.623 19391 6864 1 18 . 1 1 57 57 GLY N N 57 109.514 109.514 108.196 1.318 19391 6865 1 18 . 1 1 57 57 GLY C C 57 175.034 175.034 175.352 -0.318 19391 6866 1 18 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.475 0.173 19391 6867 1 18 . 1 1 57 57 GLY H H 57 8.644 8.644 8.062 0.582 19391 6868 1 18 . 1 1 58 58 SER N N 58 114.666 114.666 115.879 -1.213 19391 6869 1 18 . 1 1 58 58 SER HA H 58 4.355 4.355 4.380 -0.025 19391 6870 1 18 . 1 1 58 58 SER C C 58 173.748 173.748 174.247 -0.499 19391 6871 1 18 . 1 1 58 58 SER CA C 58 60.013 60.013 59.418 0.595 19391 6872 1 18 . 1 1 58 58 SER CB C 58 64.173 64.173 63.560 0.613 19391 6873 1 18 . 1 1 58 58 SER H H 58 8.058 8.058 8.165 -0.107 19391 6874 1 18 . 1 1 59 59 MET N N 59 118.467 118.467 118.939 -0.472 19391 6875 1 18 . 1 1 59 59 MET HA H 59 4.475 4.475 4.517 -0.042 19391 6876 1 18 . 1 1 59 59 MET C C 59 172.909 172.909 173.146 -0.237 19391 6877 1 18 . 1 1 59 59 MET CA C 59 56.185 56.185 55.668 0.517 19391 6878 1 18 . 1 1 59 59 MET CB C 59 35.552 35.552 36.096 -0.545 19391 6879 1 18 . 1 1 59 59 MET H H 59 7.442 7.442 7.779 -0.337 19391 6880 1 18 . 1 1 60 60 ASP N N 60 121.779 121.779 123.566 -1.787 19391 6881 1 18 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.657 0.037 19391 6882 1 18 . 1 1 60 60 ASP C C 60 176.867 176.867 175.711 1.156 19391 6883 1 18 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.343 -0.062 19391 6884 1 18 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.810 0.170 19391 6885 1 18 . 1 1 60 60 ASP H H 60 8.401 8.401 8.572 -0.171 19391 6886 1 18 . 1 1 61 61 LEU N N 61 126.474 126.474 125.841 0.633 19391 6887 1 18 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.469 -0.075 19391 6888 1 18 . 1 1 61 61 LEU C C 61 178.536 178.536 178.621 -0.085 19391 6889 1 18 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.464 -0.425 19391 6890 1 18 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.042 0.571 19391 6891 1 18 . 1 1 61 61 LEU H H 61 9.015 9.015 8.599 0.416 19391 6892 1 18 . 1 1 62 62 SER N N 62 120.014 120.014 117.199 2.815 19391 6893 1 18 . 1 1 62 62 SER HA H 62 4.125 4.125 4.226 -0.101 19391 6894 1 18 . 1 1 62 62 SER C C 62 176.669 176.669 175.676 0.993 19391 6895 1 18 . 1 1 62 62 SER CA C 62 63.345 63.345 61.417 1.928 19391 6896 1 18 . 1 1 62 62 SER CB C 62 62.553 62.553 63.126 -0.572 19391 6897 1 18 . 1 1 62 62 SER H H 62 8.871 8.871 9.156 -0.285 19391 6898 1 18 . 1 1 63 63 THR N N 63 110.495 110.495 112.474 -1.979 19391 6899 1 18 . 1 1 63 63 THR HA H 63 4.510 4.510 4.445 0.065 19391 6900 1 18 . 1 1 63 63 THR C C 63 173.862 173.862 173.500 0.362 19391 6901 1 18 . 1 1 63 63 THR CA C 63 61.006 61.006 61.214 -0.207 19391 6902 1 18 . 1 1 63 63 THR CB C 63 67.976 67.976 69.128 -1.152 19391 6903 1 18 . 1 1 63 63 THR H H 63 8.363 8.363 7.810 0.553 19391 6904 1 18 . 1 1 64 64 PHE N N 64 123.605 123.605 124.489 -0.884 19391 6905 1 18 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.577 0.039 19391 6906 1 18 . 1 1 64 64 PHE C C 64 173.716 173.716 173.396 0.320 19391 6907 1 18 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.903 1.114 19391 6908 1 18 . 1 1 64 64 PHE CB C 64 40.944 40.944 40.894 0.050 19391 6909 1 18 . 1 1 64 64 PHE H H 64 7.472 7.472 8.108 -0.636 19391 6910 1 18 . 1 1 65 65 ASP N N 65 129.564 129.564 127.784 1.780 19391 6911 1 18 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.456 0.071 19391 6912 1 18 . 1 1 65 65 ASP C C 65 173.973 173.973 175.236 -1.263 19391 6913 1 18 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.378 0.435 19391 6914 1 18 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.469 0.479 19391 6915 1 18 . 1 1 65 65 ASP H H 65 8.574 8.574 8.435 0.139 19391 6916 1 18 . 1 1 66 66 PHE N N 66 128.221 128.221 128.803 -0.582 19391 6917 1 18 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.101 -0.444 19391 6918 1 18 . 1 1 66 66 PHE C C 66 177.535 177.535 176.658 0.877 19391 6919 1 18 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.913 0.833 19391 6920 1 18 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.806 1.436 19391 6921 1 18 . 1 1 66 66 PHE H H 66 8.886 8.886 8.289 0.597 19391 6922 1 18 . 1 1 67 67 ARG N N 67 116.246 116.246 118.302 -2.056 19391 6923 1 18 . 1 1 67 67 ARG HA H 67 4.761 4.761 3.935 0.826 19391 6924 1 18 . 1 1 67 67 ARG C C 67 178.024 178.024 177.773 0.251 19391 6925 1 18 . 1 1 67 67 ARG CA C 67 59.661 59.661 59.090 0.571 19391 6926 1 18 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.966 -0.237 19391 6927 1 18 . 1 1 67 67 ARG H H 67 8.804 8.804 8.200 0.604 19391 6928 1 18 . 1 1 68 68 THR N N 68 105.409 105.409 108.791 -3.382 19391 6929 1 18 . 1 1 68 68 THR HA H 68 4.199 4.199 4.385 -0.186 19391 6930 1 18 . 1 1 68 68 THR C C 68 176.417 176.417 175.488 0.929 19391 6931 1 18 . 1 1 68 68 THR CA C 68 62.233 62.233 62.234 -0.001 19391 6932 1 18 . 1 1 68 68 THR CB C 68 71.221 71.221 69.824 1.397 19391 6933 1 18 . 1 1 68 68 THR H H 68 7.407 7.407 8.132 -0.725 19391 6934 1 18 . 1 1 69 69 GLY N N 69 113.199 113.199 111.488 1.711 19391 6935 1 18 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.717 1.497 19391 6936 1 18 . 1 1 69 69 GLY H H 69 8.344 8.344 7.848 0.496 19391 6937 1 18 . 1 1 70 70 LYS N N 70 116.533 116.533 118.766 -2.233 19391 6938 1 18 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.731 -0.333 19391 6939 1 18 . 1 1 70 70 LYS C C 70 175.022 175.022 175.125 -0.103 19391 6940 1 18 . 1 1 70 70 LYS CA C 70 54.613 54.613 54.245 0.368 19391 6941 1 18 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.210 -1.135 19391 6942 1 18 . 1 1 70 70 LYS H H 70 6.887 6.887 7.427 -0.540 19391 6943 1 18 . 1 1 71 71 MET N N 71 119.590 119.590 123.984 -4.394 19391 6944 1 18 . 1 1 71 71 MET HA H 71 4.770 4.770 4.684 0.086 19391 6945 1 18 . 1 1 71 71 MET C C 71 175.810 175.810 175.034 0.776 19391 6946 1 18 . 1 1 71 71 MET CA C 71 54.296 54.296 56.205 -1.909 19391 6947 1 18 . 1 1 71 71 MET CB C 71 32.118 32.118 33.046 -0.928 19391 6948 1 18 . 1 1 71 71 MET H H 71 8.423 8.423 8.816 -0.393 19391 6949 1 19 . 1 1 2 2 SER HA H 2 4.500 4.500 4.582 -0.082 19391 6950 1 19 . 1 1 2 2 SER C C 2 174.803 174.803 173.492 1.311 19391 6951 1 19 . 1 1 2 2 SER CA C 2 58.624 58.624 57.715 0.909 19391 6952 1 19 . 1 1 2 2 SER CB C 2 63.986 63.986 65.027 -1.041 19391 6953 1 19 . 1 1 3 3 MET N N 3 122.348 122.348 122.663 -0.315 19391 6954 1 19 . 1 1 3 3 MET HA H 3 4.546 4.546 4.771 -0.225 19391 6955 1 19 . 1 1 3 3 MET C C 3 175.969 175.969 175.703 0.266 19391 6956 1 19 . 1 1 3 3 MET CA C 3 55.560 55.560 55.207 0.353 19391 6957 1 19 . 1 1 3 3 MET CB C 3 32.667 32.667 33.062 -0.395 19391 6958 1 19 . 1 1 3 3 MET H H 3 8.636 8.636 8.309 0.327 19391 6959 1 19 . 1 1 4 4 GLU N N 4 121.792 121.792 123.945 -2.153 19391 6960 1 19 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.491 -0.188 19391 6961 1 19 . 1 1 4 4 GLU C C 4 175.884 175.884 176.144 -0.260 19391 6962 1 19 . 1 1 4 4 GLU CA C 4 56.531 56.531 55.854 0.677 19391 6963 1 19 . 1 1 4 4 GLU CB C 4 30.594 30.594 31.032 -0.438 19391 6964 1 19 . 1 1 4 4 GLU H H 4 8.337 8.337 8.586 -0.249 19391 6965 1 19 . 1 1 5 5 ARG N N 5 122.592 122.592 122.156 0.436 19391 6966 1 19 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.210 0.319 19391 6967 1 19 . 1 1 5 5 ARG C C 5 175.556 175.556 175.920 -0.364 19391 6968 1 19 . 1 1 5 5 ARG CA C 5 56.007 56.007 55.649 0.358 19391 6969 1 19 . 1 1 5 5 ARG CB C 5 31.177 31.177 31.073 0.104 19391 6970 1 19 . 1 1 5 5 ARG H H 5 8.319 8.319 8.422 -0.103 19391 6971 1 19 . 1 1 6 6 LYS N N 6 123.750 123.750 120.504 3.246 19391 6972 1 19 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.474 -0.069 19391 6973 1 19 . 1 1 6 6 LYS C C 6 174.335 174.335 174.816 -0.481 19391 6974 1 19 . 1 1 6 6 LYS CA C 6 55.587 55.587 54.367 1.220 19391 6975 1 19 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.853 1.845 19391 6976 1 19 . 1 1 6 6 LYS H H 6 8.372 8.372 7.851 0.521 19391 6977 1 19 . 1 1 7 7 ARG N N 7 121.789 121.789 125.525 -3.736 19391 6978 1 19 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.582 0.443 19391 6979 1 19 . 1 1 7 7 ARG C C 7 174.998 174.998 175.407 -0.409 19391 6980 1 19 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.519 -0.642 19391 6981 1 19 . 1 1 7 7 ARG CB C 7 33.085 33.085 30.750 2.335 19391 6982 1 19 . 1 1 7 7 ARG H H 7 7.894 7.894 8.377 -0.483 19391 6983 1 19 . 1 1 8 8 TRP N N 8 122.774 122.774 125.488 -2.714 19391 6984 1 19 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.920 0.051 19391 6985 1 19 . 1 1 8 8 TRP C C 8 175.679 175.679 175.797 -0.118 19391 6986 1 19 . 1 1 8 8 TRP CA C 8 56.342 56.342 54.663 1.679 19391 6987 1 19 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.577 2.467 19391 6988 1 19 . 1 1 8 8 TRP H H 8 9.002 9.002 8.528 0.474 19391 6989 1 19 . 1 1 9 9 GLU N N 9 121.587 121.587 119.016 2.571 19391 6990 1 19 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.719 -0.245 19391 6991 1 19 . 1 1 9 9 GLU C C 9 176.133 176.133 176.135 -0.002 19391 6992 1 19 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.809 0.679 19391 6993 1 19 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.361 -0.107 19391 6994 1 19 . 1 1 9 9 GLU H H 9 8.879 8.879 8.594 0.285 19391 6995 1 19 . 1 1 10 10 CYS N N 10 122.770 122.770 123.988 -1.218 19391 6996 1 19 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.054 0.171 19391 6997 1 19 . 1 1 10 10 CYS C C 10 173.480 173.480 174.584 -1.104 19391 6998 1 19 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.070 0.981 19391 6999 1 19 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.228 -0.953 19391 7000 1 19 . 1 1 10 10 CYS H H 10 8.351 8.351 8.555 -0.204 19391 7001 1 19 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.495 0.149 19391 7002 1 19 . 1 1 11 11 PRO C C 11 176.160 176.160 176.379 -0.219 19391 7003 1 19 . 1 1 11 11 PRO CA C 11 64.764 64.764 63.984 0.780 19391 7004 1 19 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.982 0.223 19391 7005 1 19 . 1 1 12 12 ALA N N 12 118.459 118.459 120.272 -1.813 19391 7006 1 19 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.290 -0.026 19391 7007 1 19 . 1 1 12 12 ALA C C 12 176.998 176.998 177.496 -0.498 19391 7008 1 19 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.344 0.830 19391 7009 1 19 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.158 1.038 19391 7010 1 19 . 1 1 12 12 ALA H H 12 7.635 7.635 8.247 -0.612 19391 7011 1 19 . 1 1 13 13 LEU N N 13 117.171 117.171 119.756 -2.585 19391 7012 1 19 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.463 -0.148 19391 7013 1 19 . 1 1 13 13 LEU C C 13 173.277 173.277 174.501 -1.224 19391 7014 1 19 . 1 1 13 13 LEU CA C 13 52.157 52.157 51.756 0.401 19391 7015 1 19 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.383 -0.403 19391 7016 1 19 . 1 1 13 13 LEU H H 13 7.449 7.449 7.314 0.135 19391 7017 1 19 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.377 0.057 19391 7018 1 19 . 1 1 14 14 PRO C C 14 174.999 174.999 176.356 -1.357 19391 7019 1 19 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.821 -0.123 19391 7020 1 19 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.192 -0.381 19391 7021 1 19 . 1 1 15 15 GLN N N 15 120.091 120.091 121.516 -1.425 19391 7022 1 19 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.041 0.108 19391 7023 1 19 . 1 1 15 15 GLN C C 15 177.099 177.099 176.924 0.175 19391 7024 1 19 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.968 0.365 19391 7025 1 19 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.487 0.369 19391 7026 1 19 . 1 1 15 15 GLN H H 15 8.368 8.368 8.599 -0.231 19391 7027 1 19 . 1 1 16 16 GLY N N 16 113.023 113.023 110.994 2.029 19391 7028 1 19 . 1 1 16 16 GLY C C 16 174.735 174.735 174.429 0.306 19391 7029 1 19 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.604 0.689 19391 7030 1 19 . 1 1 16 16 GLY H H 16 8.828 8.828 8.908 -0.080 19391 7031 1 19 . 1 1 17 17 TRP N N 17 121.152 121.152 122.576 -1.424 19391 7032 1 19 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.286 -0.469 19391 7033 1 19 . 1 1 17 17 TRP C C 17 177.275 177.275 175.843 1.432 19391 7034 1 19 . 1 1 17 17 TRP CA C 17 59.153 59.153 56.863 2.290 19391 7035 1 19 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.196 0.094 19391 7036 1 19 . 1 1 17 17 TRP H H 17 8.006 8.006 8.224 -0.218 19391 7037 1 19 . 1 1 18 18 GLU N N 18 120.147 120.147 120.212 -0.065 19391 7038 1 19 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.954 0.301 19391 7039 1 19 . 1 1 18 18 GLU C C 18 174.373 174.373 174.609 -0.236 19391 7040 1 19 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.009 0.082 19391 7041 1 19 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.534 0.841 19391 7042 1 19 . 1 1 18 18 GLU H H 18 8.934 8.934 8.546 0.388 19391 7043 1 19 . 1 1 19 19 ARG N N 19 122.215 122.215 121.914 0.301 19391 7044 1 19 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.575 0.431 19391 7045 1 19 . 1 1 19 19 ARG C C 19 174.040 174.040 174.121 -0.081 19391 7046 1 19 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.145 0.221 19391 7047 1 19 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.996 0.894 19391 7048 1 19 . 1 1 19 19 ARG H H 19 9.300 9.300 9.109 0.191 19391 7049 1 19 . 1 1 20 20 GLU N N 20 127.885 127.885 120.392 7.493 19391 7050 1 19 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.854 0.431 19391 7051 1 19 . 1 1 20 20 GLU C C 20 173.582 173.582 173.786 -0.204 19391 7052 1 19 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.642 -0.188 19391 7053 1 19 . 1 1 20 20 GLU CB C 20 36.572 36.572 33.994 2.578 19391 7054 1 19 . 1 1 20 20 GLU H H 20 9.460 9.460 8.035 1.425 19391 7055 1 19 . 1 1 21 21 GLU N N 21 123.590 123.590 122.196 1.394 19391 7056 1 19 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.955 0.363 19391 7057 1 19 . 1 1 21 21 GLU C C 21 176.091 176.091 175.013 1.078 19391 7058 1 19 . 1 1 21 21 GLU CA C 21 54.458 54.458 54.509 -0.051 19391 7059 1 19 . 1 1 21 21 GLU CB C 21 32.852 32.852 33.130 -0.278 19391 7060 1 19 . 1 1 21 21 GLU H H 21 8.580 8.580 7.788 0.792 19391 7061 1 19 . 1 1 22 22 VAL N N 22 123.718 123.718 125.666 -1.948 19391 7062 1 19 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.464 0.304 19391 7063 1 19 . 1 1 22 22 VAL C C 22 169.573 169.573 173.510 -3.937 19391 7064 1 19 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.297 0.692 19391 7065 1 19 . 1 1 22 22 VAL CB C 22 35.259 35.259 35.241 0.018 19391 7066 1 19 . 1 1 22 22 VAL H H 22 9.177 9.177 9.214 -0.037 19391 7067 1 19 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.880 -0.125 19391 7068 1 19 . 1 1 23 23 PRO C C 23 176.679 176.679 176.366 0.313 19391 7069 1 19 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.039 0.425 19391 7070 1 19 . 1 1 23 23 PRO CB C 23 32.098 32.098 31.551 0.547 19391 7071 1 19 . 1 1 24 24 ARG N N 24 123.629 123.629 124.451 -0.822 19391 7072 1 19 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.374 0.114 19391 7073 1 19 . 1 1 24 24 ARG C C 24 177.926 177.926 175.809 2.117 19391 7074 1 19 . 1 1 24 24 ARG CA C 24 56.430 56.430 55.271 1.159 19391 7075 1 19 . 1 1 24 24 ARG CB C 24 30.988 30.988 32.436 -1.448 19391 7076 1 19 . 1 1 24 24 ARG H H 24 8.726 8.726 9.004 -0.278 19391 7077 1 19 . 1 1 25 25 ARG N N 25 124.327 124.327 119.669 4.658 19391 7078 1 19 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.613 -0.270 19391 7079 1 19 . 1 1 25 25 ARG C C 25 176.213 176.213 174.470 1.743 19391 7080 1 19 . 1 1 25 25 ARG CA C 25 57.470 57.470 55.707 1.763 19391 7081 1 19 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.958 -0.750 19391 7082 1 19 . 1 1 25 25 ARG H H 25 9.070 9.070 8.589 0.481 19391 7083 1 19 . 1 1 26 26 SER N N 26 114.348 114.348 117.228 -2.880 19391 7084 1 19 . 1 1 26 26 SER HA H 26 4.652 4.652 4.446 0.206 19391 7085 1 19 . 1 1 26 26 SER C C 26 173.704 173.704 173.796 -0.092 19391 7086 1 19 . 1 1 26 26 SER CA C 26 57.727 57.727 58.669 -0.942 19391 7087 1 19 . 1 1 26 26 SER CB C 26 65.099 65.099 63.213 1.886 19391 7088 1 19 . 1 1 26 26 SER H H 26 8.071 8.071 8.548 -0.477 19391 7089 1 19 . 1 1 27 27 GLY N N 27 108.224 108.224 109.696 -1.472 19391 7090 1 19 . 1 1 27 27 GLY C C 27 175.321 175.321 175.317 0.004 19391 7091 1 19 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.762 -0.599 19391 7092 1 19 . 1 1 27 27 GLY H H 27 8.433 8.433 8.079 0.354 19391 7093 1 19 . 1 1 28 28 LEU N N 28 122.251 122.251 123.554 -1.303 19391 7094 1 19 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.191 0.058 19391 7095 1 19 . 1 1 28 28 LEU C C 28 178.691 178.691 177.428 1.263 19391 7096 1 19 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.797 -0.004 19391 7097 1 19 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.346 -0.163 19391 7098 1 19 . 1 1 28 28 LEU H H 28 8.752 8.752 8.470 0.282 19391 7099 1 19 . 1 1 29 29 SER N N 29 113.375 113.375 111.057 2.318 19391 7100 1 19 . 1 1 29 29 SER HA H 29 4.440 4.440 4.267 0.173 19391 7101 1 19 . 1 1 29 29 SER C C 29 173.707 173.707 173.623 0.084 19391 7102 1 19 . 1 1 29 29 SER CA C 29 57.782 57.782 56.692 1.090 19391 7103 1 19 . 1 1 29 29 SER CB C 29 63.353 63.353 62.396 0.957 19391 7104 1 19 . 1 1 29 29 SER H H 29 8.397 8.397 8.063 0.334 19391 7105 1 19 . 1 1 30 30 ALA N N 30 124.539 124.539 123.341 1.198 19391 7106 1 19 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.130 -0.218 19391 7107 1 19 . 1 1 30 30 ALA C C 30 178.198 178.198 177.649 0.549 19391 7108 1 19 . 1 1 30 30 ALA CA C 30 53.576 53.576 52.708 0.868 19391 7109 1 19 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.265 0.157 19391 7110 1 19 . 1 1 30 30 ALA H H 30 7.623 7.623 7.444 0.179 19391 7111 1 19 . 1 1 31 31 GLY N N 31 109.642 109.642 113.704 -4.062 19391 7112 1 19 . 1 1 31 31 GLY C C 31 174.534 174.534 174.181 0.353 19391 7113 1 19 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.858 0.384 19391 7114 1 19 . 1 1 31 31 GLY H H 31 8.713 8.713 8.387 0.326 19391 7115 1 19 . 1 1 32 32 HIS N N 32 119.677 119.677 120.256 -0.579 19391 7116 1 19 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.471 0.093 19391 7117 1 19 . 1 1 32 32 HIS C C 32 174.544 174.544 174.655 -0.111 19391 7118 1 19 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.311 0.105 19391 7119 1 19 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.755 -1.169 19391 7120 1 19 . 1 1 32 32 HIS H H 32 8.304 8.304 7.929 0.375 19391 7121 1 19 . 1 1 33 33 ARG N N 33 124.677 124.677 122.679 1.998 19391 7122 1 19 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.549 0.056 19391 7123 1 19 . 1 1 33 33 ARG C C 33 174.869 174.869 175.081 -0.212 19391 7124 1 19 . 1 1 33 33 ARG CA C 33 55.762 55.762 54.934 0.828 19391 7125 1 19 . 1 1 33 33 ARG CB C 33 31.200 31.200 30.775 0.425 19391 7126 1 19 . 1 1 33 33 ARG H H 33 8.731 8.731 8.636 0.095 19391 7127 1 19 . 1 1 34 34 ASP N N 34 124.378 124.378 125.853 -1.475 19391 7128 1 19 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.885 -0.009 19391 7129 1 19 . 1 1 34 34 ASP C C 34 174.057 174.057 175.026 -0.969 19391 7130 1 19 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.346 0.699 19391 7131 1 19 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.217 0.635 19391 7132 1 19 . 1 1 34 34 ASP H H 34 8.387 8.387 9.041 -0.654 19391 7133 1 19 . 1 1 35 35 VAL N N 35 121.095 121.095 120.634 0.461 19391 7134 1 19 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.503 0.247 19391 7135 1 19 . 1 1 35 35 VAL C C 35 173.600 173.600 174.452 -0.852 19391 7136 1 19 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.323 0.034 19391 7137 1 19 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.169 0.909 19391 7138 1 19 . 1 1 35 35 VAL H H 35 8.023 8.023 8.311 -0.288 19391 7139 1 19 . 1 1 36 36 PHE N N 36 122.163 122.163 124.229 -2.066 19391 7140 1 19 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.674 0.924 19391 7141 1 19 . 1 1 36 36 PHE C C 36 174.164 174.164 173.641 0.523 19391 7142 1 19 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.231 -1.524 19391 7143 1 19 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.778 1.200 19391 7144 1 19 . 1 1 36 36 PHE H H 36 8.710 8.710 8.412 0.298 19391 7145 1 19 . 1 1 37 37 TYR N N 37 116.406 116.406 117.836 -1.430 19391 7146 1 19 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.761 0.926 19391 7147 1 19 . 1 1 37 37 TYR C C 37 174.694 174.694 174.015 0.679 19391 7148 1 19 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.876 0.988 19391 7149 1 19 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.761 1.716 19391 7150 1 19 . 1 1 37 37 TYR H H 37 8.552 8.552 8.043 0.509 19391 7151 1 19 . 1 1 38 38 TYR N N 38 118.594 118.594 119.134 -0.540 19391 7152 1 19 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.481 0.263 19391 7153 1 19 . 1 1 38 38 TYR C C 38 175.481 175.481 175.666 -0.185 19391 7154 1 19 . 1 1 38 38 TYR CA C 38 55.950 55.950 55.747 0.203 19391 7155 1 19 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.765 0.522 19391 7156 1 19 . 1 1 38 38 TYR H H 38 9.445 9.445 8.831 0.614 19391 7157 1 19 . 1 1 39 39 SER N N 39 118.327 118.327 117.993 0.334 19391 7158 1 19 . 1 1 39 39 SER HA H 39 2.098 2.098 3.961 -1.863 19391 7159 1 19 . 1 1 39 39 SER C C 39 174.399 174.399 174.252 0.147 19391 7160 1 19 . 1 1 39 39 SER CA C 39 55.375 55.375 55.177 0.198 19391 7161 1 19 . 1 1 39 39 SER CB C 39 62.873 62.873 63.056 -0.183 19391 7162 1 19 . 1 1 39 39 SER H H 39 8.808 8.808 8.355 0.453 19391 7163 1 19 . 1 1 41 41 SER HA H 41 4.452 4.452 4.438 0.014 19391 7164 1 19 . 1 1 41 41 SER C C 41 174.963 174.963 175.243 -0.280 19391 7165 1 19 . 1 1 41 41 SER CA C 41 57.861 57.861 57.742 0.118 19391 7166 1 19 . 1 1 41 41 SER CB C 41 63.763 63.763 63.640 0.123 19391 7167 1 19 . 1 1 42 42 GLY N N 42 111.741 111.741 109.894 1.847 19391 7168 1 19 . 1 1 42 42 GLY C C 42 173.938 173.938 173.880 0.058 19391 7169 1 19 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.235 0.194 19391 7170 1 19 . 1 1 42 42 GLY H H 42 8.292 8.292 7.988 0.304 19391 7171 1 19 . 1 1 43 43 LYS N N 43 122.381 122.381 121.767 0.614 19391 7172 1 19 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.340 -0.249 19391 7173 1 19 . 1 1 43 43 LYS C C 43 174.049 174.049 175.926 -1.877 19391 7174 1 19 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.195 0.314 19391 7175 1 19 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.179 -0.389 19391 7176 1 19 . 1 1 43 43 LYS H H 43 7.361 7.361 7.595 -0.234 19391 7177 1 19 . 1 1 44 44 LYS N N 44 125.831 125.831 126.166 -0.335 19391 7178 1 19 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.120 -0.626 19391 7179 1 19 . 1 1 44 44 LYS C C 44 175.970 175.970 176.029 -0.059 19391 7180 1 19 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.752 -0.043 19391 7181 1 19 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.218 2.422 19391 7182 1 19 . 1 1 44 44 LYS H H 44 8.078 8.078 8.471 -0.393 19391 7183 1 19 . 1 1 45 45 PHE N N 45 124.636 124.636 119.595 5.041 19391 7184 1 19 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.039 -0.257 19391 7185 1 19 . 1 1 45 45 PHE C C 45 176.205 176.205 172.855 3.350 19391 7186 1 19 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.270 1.683 19391 7187 1 19 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.602 1.374 19391 7188 1 19 . 1 1 45 45 PHE H H 45 9.707 9.707 7.963 1.744 19391 7189 1 19 . 1 1 46 46 ARG N N 46 117.959 117.959 121.266 -3.307 19391 7190 1 19 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.812 0.588 19391 7191 1 19 . 1 1 46 46 ARG C C 46 175.059 175.059 174.828 0.231 19391 7192 1 19 . 1 1 46 46 ARG CA C 46 55.322 55.322 54.669 0.653 19391 7193 1 19 . 1 1 46 46 ARG CB C 46 33.383 33.383 29.965 3.418 19391 7194 1 19 . 1 1 46 46 ARG H H 46 9.430 9.430 8.747 0.683 19391 7195 1 19 . 1 1 47 47 SER N N 47 115.115 115.115 118.035 -2.920 19391 7196 1 19 . 1 1 47 47 SER HA H 47 4.069 4.069 4.452 -0.383 19391 7197 1 19 . 1 1 47 47 SER C C 47 172.762 172.762 173.975 -1.213 19391 7198 1 19 . 1 1 47 47 SER CA C 47 56.797 56.797 57.493 -0.696 19391 7199 1 19 . 1 1 47 47 SER CB C 47 66.892 66.892 65.922 0.969 19391 7200 1 19 . 1 1 47 47 SER H H 47 7.926 7.926 8.071 -0.145 19391 7201 1 19 . 1 1 48 48 LYS N N 48 122.914 122.914 124.839 -1.925 19391 7202 1 19 . 1 1 48 48 LYS HA H 48 4.099 4.099 3.841 0.258 19391 7203 1 19 . 1 1 48 48 LYS CA C 48 61.570 61.570 59.909 1.661 19391 7204 1 19 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.506 -0.256 19391 7205 1 19 . 1 1 48 48 LYS H H 48 8.994 8.994 8.201 0.793 19391 7206 1 19 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.156 0.228 19391 7207 1 19 . 1 1 49 49 PRO C C 49 179.505 179.505 178.581 0.924 19391 7208 1 19 . 1 1 49 49 PRO CA C 49 66.262 66.262 66.018 0.244 19391 7209 1 19 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.261 -0.007 19391 7210 1 19 . 1 1 50 50 GLN N N 50 116.141 116.141 117.265 -1.124 19391 7211 1 19 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.053 0.106 19391 7212 1 19 . 1 1 50 50 GLN C C 50 179.539 179.539 178.293 1.246 19391 7213 1 19 . 1 1 50 50 GLN CA C 50 59.213 59.213 59.060 0.153 19391 7214 1 19 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.302 1.063 19391 7215 1 19 . 1 1 50 50 GLN H H 50 7.333 7.333 7.667 -0.334 19391 7216 1 19 . 1 1 51 51 LEU N N 51 122.318 122.318 120.210 2.108 19391 7217 1 19 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.019 -0.207 19391 7218 1 19 . 1 1 51 51 LEU C C 51 177.948 177.948 178.694 -0.746 19391 7219 1 19 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.818 0.326 19391 7220 1 19 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.316 2.135 19391 7221 1 19 . 1 1 51 51 LEU H H 51 7.957 7.957 7.602 0.355 19391 7222 1 19 . 1 1 52 52 ALA N N 52 120.627 120.627 122.600 -1.973 19391 7223 1 19 . 1 1 52 52 ALA HA H 52 3.910 3.910 4.005 -0.095 19391 7224 1 19 . 1 1 52 52 ALA C C 52 181.360 181.360 179.770 1.590 19391 7225 1 19 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.987 -0.093 19391 7226 1 19 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.437 -0.251 19391 7227 1 19 . 1 1 52 52 ALA H H 52 9.134 9.134 7.781 1.353 19391 7228 1 19 . 1 1 53 53 ARG N N 53 118.087 118.087 118.811 -0.724 19391 7229 1 19 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.969 0.141 19391 7230 1 19 . 1 1 53 53 ARG C C 53 178.186 178.186 178.963 -0.777 19391 7231 1 19 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.294 0.002 19391 7232 1 19 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.332 0.223 19391 7233 1 19 . 1 1 53 53 ARG H H 53 8.095 8.095 8.149 -0.054 19391 7234 1 19 . 1 1 54 54 TYR N N 54 119.692 119.692 119.811 -0.119 19391 7235 1 19 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.209 0.168 19391 7236 1 19 . 1 1 54 54 TYR C C 54 177.809 177.809 177.716 0.093 19391 7237 1 19 . 1 1 54 54 TYR CA C 54 61.342 61.342 60.858 0.483 19391 7238 1 19 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.755 1.644 19391 7239 1 19 . 1 1 54 54 TYR H H 54 7.584 7.584 7.875 -0.291 19391 7240 1 19 . 1 1 55 55 LEU N N 55 117.313 117.313 117.196 0.117 19391 7241 1 19 . 1 1 55 55 LEU HA H 55 4.155 4.155 3.819 0.336 19391 7242 1 19 . 1 1 55 55 LEU C C 55 178.784 178.784 177.494 1.290 19391 7243 1 19 . 1 1 55 55 LEU CA C 55 55.788 55.788 56.300 -0.512 19391 7244 1 19 . 1 1 55 55 LEU CB C 55 42.783 42.783 42.270 0.513 19391 7245 1 19 . 1 1 55 55 LEU H H 55 8.279 8.279 8.168 0.111 19391 7246 1 19 . 1 1 56 56 GLY N N 56 108.526 108.526 104.158 4.368 19391 7247 1 19 . 1 1 56 56 GLY C C 56 174.749 174.749 174.860 -0.111 19391 7248 1 19 . 1 1 56 56 GLY CA C 56 46.751 46.751 44.779 1.972 19391 7249 1 19 . 1 1 56 56 GLY H H 56 7.911 7.911 8.073 -0.162 19391 7250 1 19 . 1 1 57 57 GLY N N 57 109.514 109.514 108.130 1.384 19391 7251 1 19 . 1 1 57 57 GLY C C 57 175.034 175.034 174.949 0.085 19391 7252 1 19 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.200 0.448 19391 7253 1 19 . 1 1 57 57 GLY H H 57 8.644 8.644 8.713 -0.069 19391 7254 1 19 . 1 1 58 58 SER N N 58 114.666 114.666 116.773 -2.107 19391 7255 1 19 . 1 1 58 58 SER HA H 58 4.355 4.355 4.398 -0.043 19391 7256 1 19 . 1 1 58 58 SER C C 58 173.748 173.748 174.064 -0.316 19391 7257 1 19 . 1 1 58 58 SER CA C 58 60.013 60.013 59.769 0.244 19391 7258 1 19 . 1 1 58 58 SER CB C 58 64.173 64.173 63.832 0.341 19391 7259 1 19 . 1 1 58 58 SER H H 58 8.058 8.058 8.192 -0.134 19391 7260 1 19 . 1 1 59 59 MET N N 59 118.467 118.467 120.443 -1.976 19391 7261 1 19 . 1 1 59 59 MET HA H 59 4.475 4.475 4.505 -0.030 19391 7262 1 19 . 1 1 59 59 MET C C 59 172.909 172.909 173.994 -1.085 19391 7263 1 19 . 1 1 59 59 MET CA C 59 56.185 56.185 55.165 1.020 19391 7264 1 19 . 1 1 59 59 MET CB C 59 35.552 35.552 35.757 -0.205 19391 7265 1 19 . 1 1 59 59 MET H H 59 7.442 7.442 7.574 -0.132 19391 7266 1 19 . 1 1 60 60 ASP N N 60 121.779 121.779 124.374 -2.595 19391 7267 1 19 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.850 -0.156 19391 7268 1 19 . 1 1 60 60 ASP C C 60 176.867 176.867 176.134 0.733 19391 7269 1 19 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.941 -0.660 19391 7270 1 19 . 1 1 60 60 ASP CB C 60 40.980 40.980 41.087 -0.107 19391 7271 1 19 . 1 1 60 60 ASP H H 60 8.401 8.401 8.572 -0.171 19391 7272 1 19 . 1 1 61 61 LEU N N 61 126.474 126.474 125.449 1.025 19391 7273 1 19 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.520 -0.126 19391 7274 1 19 . 1 1 61 61 LEU C C 61 178.536 178.536 177.769 0.767 19391 7275 1 19 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.959 -0.920 19391 7276 1 19 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.421 -0.808 19391 7277 1 19 . 1 1 61 61 LEU H H 61 9.015 9.015 8.628 0.387 19391 7278 1 19 . 1 1 62 62 SER N N 62 120.014 120.014 115.567 4.447 19391 7279 1 19 . 1 1 62 62 SER HA H 62 4.125 4.125 4.281 -0.156 19391 7280 1 19 . 1 1 62 62 SER C C 62 176.669 176.669 175.321 1.348 19391 7281 1 19 . 1 1 62 62 SER CA C 62 63.345 63.345 61.158 2.187 19391 7282 1 19 . 1 1 62 62 SER CB C 62 62.553 62.553 63.112 -0.559 19391 7283 1 19 . 1 1 62 62 SER H H 62 8.871 8.871 8.159 0.712 19391 7284 1 19 . 1 1 63 63 THR N N 63 110.495 110.495 112.295 -1.800 19391 7285 1 19 . 1 1 63 63 THR HA H 63 4.510 4.510 4.451 0.059 19391 7286 1 19 . 1 1 63 63 THR C C 63 173.862 173.862 172.825 1.037 19391 7287 1 19 . 1 1 63 63 THR CA C 63 61.006 61.006 61.653 -0.647 19391 7288 1 19 . 1 1 63 63 THR CB C 63 67.976 67.976 68.686 -0.710 19391 7289 1 19 . 1 1 63 63 THR H H 63 8.363 8.363 7.978 0.385 19391 7290 1 19 . 1 1 64 64 PHE N N 64 123.605 123.605 124.126 -0.521 19391 7291 1 19 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.989 -0.373 19391 7292 1 19 . 1 1 64 64 PHE C C 64 173.716 173.716 173.293 0.423 19391 7293 1 19 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.249 1.768 19391 7294 1 19 . 1 1 64 64 PHE CB C 64 40.944 40.944 42.346 -1.402 19391 7295 1 19 . 1 1 64 64 PHE H H 64 7.472 7.472 8.162 -0.690 19391 7296 1 19 . 1 1 65 65 ASP N N 65 129.564 129.564 128.703 0.861 19391 7297 1 19 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.513 0.014 19391 7298 1 19 . 1 1 65 65 ASP C C 65 173.973 173.973 175.351 -1.378 19391 7299 1 19 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.771 -0.958 19391 7300 1 19 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.634 1.314 19391 7301 1 19 . 1 1 65 65 ASP H H 65 8.574 8.574 8.739 -0.165 19391 7302 1 19 . 1 1 66 66 PHE N N 66 128.221 128.221 126.536 1.685 19391 7303 1 19 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.334 -0.677 19391 7304 1 19 . 1 1 66 66 PHE C C 66 177.535 177.535 176.828 0.707 19391 7305 1 19 . 1 1 66 66 PHE CA C 66 61.746 61.746 61.681 0.065 19391 7306 1 19 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.974 1.268 19391 7307 1 19 . 1 1 66 66 PHE H H 66 8.886 8.886 7.897 0.989 19391 7308 1 19 . 1 1 67 67 ARG N N 67 116.246 116.246 116.376 -0.130 19391 7309 1 19 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.000 0.761 19391 7310 1 19 . 1 1 67 67 ARG C C 67 178.024 178.024 177.913 0.111 19391 7311 1 19 . 1 1 67 67 ARG CA C 67 59.661 59.661 59.352 0.309 19391 7312 1 19 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.712 0.017 19391 7313 1 19 . 1 1 67 67 ARG H H 67 8.804 8.804 8.774 0.030 19391 7314 1 19 . 1 1 68 68 THR N N 68 105.409 105.409 105.966 -0.557 19391 7315 1 19 . 1 1 68 68 THR HA H 68 4.199 4.199 4.306 -0.107 19391 7316 1 19 . 1 1 68 68 THR C C 68 176.417 176.417 175.267 1.150 19391 7317 1 19 . 1 1 68 68 THR CA C 68 62.233 62.233 61.882 0.351 19391 7318 1 19 . 1 1 68 68 THR CB C 68 71.221 71.221 69.141 2.080 19391 7319 1 19 . 1 1 68 68 THR H H 68 7.407 7.407 7.769 -0.362 19391 7320 1 19 . 1 1 69 69 GLY N N 69 113.199 113.199 110.610 2.589 19391 7321 1 19 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.784 1.430 19391 7322 1 19 . 1 1 69 69 GLY H H 69 8.344 8.344 7.983 0.361 19391 7323 1 19 . 1 1 70 70 LYS N N 70 116.533 116.533 118.764 -2.231 19391 7324 1 19 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.783 -0.385 19391 7325 1 19 . 1 1 70 70 LYS C C 70 175.022 175.022 174.964 0.058 19391 7326 1 19 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.567 1.046 19391 7327 1 19 . 1 1 70 70 LYS CB C 70 35.075 35.075 34.797 0.278 19391 7328 1 19 . 1 1 70 70 LYS H H 70 6.887 6.887 7.230 -0.343 19391 7329 1 19 . 1 1 71 71 MET N N 71 119.590 119.590 123.336 -3.746 19391 7330 1 19 . 1 1 71 71 MET HA H 71 4.770 4.770 4.741 0.029 19391 7331 1 19 . 1 1 71 71 MET C C 71 175.810 175.810 175.023 0.787 19391 7332 1 19 . 1 1 71 71 MET CA C 71 54.296 54.296 54.403 -0.106 19391 7333 1 19 . 1 1 71 71 MET CB C 71 32.118 32.118 33.552 -1.434 19391 7334 1 19 . 1 1 71 71 MET H H 71 8.423 8.423 8.631 -0.208 19391 7335 1 20 . 1 1 2 2 SER HA H 2 4.500 4.500 4.449 0.051 19391 7336 1 20 . 1 1 2 2 SER C C 2 174.803 174.803 174.657 0.146 19391 7337 1 20 . 1 1 2 2 SER CA C 2 58.624 58.624 57.858 0.766 19391 7338 1 20 . 1 1 2 2 SER CB C 2 63.986 63.986 64.274 -0.288 19391 7339 1 20 . 1 1 3 3 MET N N 3 122.348 122.348 123.882 -1.534 19391 7340 1 20 . 1 1 3 3 MET HA H 3 4.546 4.546 4.454 0.092 19391 7341 1 20 . 1 1 3 3 MET C C 3 175.969 175.969 175.456 0.513 19391 7342 1 20 . 1 1 3 3 MET CA C 3 55.560 55.560 55.803 -0.242 19391 7343 1 20 . 1 1 3 3 MET CB C 3 32.667 32.667 31.840 0.827 19391 7344 1 20 . 1 1 3 3 MET H H 3 8.636 8.636 8.404 0.232 19391 7345 1 20 . 1 1 4 4 GLU N N 4 121.792 121.792 122.357 -0.565 19391 7346 1 20 . 1 1 4 4 GLU HA H 4 4.303 4.303 3.868 0.435 19391 7347 1 20 . 1 1 4 4 GLU C C 4 175.884 175.884 175.571 0.313 19391 7348 1 20 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.910 -0.379 19391 7349 1 20 . 1 1 4 4 GLU CB C 4 30.594 30.594 27.334 3.260 19391 7350 1 20 . 1 1 4 4 GLU H H 4 8.337 8.337 8.347 -0.010 19391 7351 1 20 . 1 1 5 5 ARG N N 5 122.592 122.592 120.621 1.971 19391 7352 1 20 . 1 1 5 5 ARG HA H 5 4.529 4.529 3.956 0.573 19391 7353 1 20 . 1 1 5 5 ARG C C 5 175.556 175.556 176.219 -0.663 19391 7354 1 20 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.255 -0.248 19391 7355 1 20 . 1 1 5 5 ARG CB C 5 31.177 31.177 30.331 0.847 19391 7356 1 20 . 1 1 5 5 ARG H H 5 8.319 8.319 8.038 0.281 19391 7357 1 20 . 1 1 6 6 LYS N N 6 123.750 123.750 122.890 0.860 19391 7358 1 20 . 1 1 6 6 LYS HA H 6 4.405 4.405 3.740 0.665 19391 7359 1 20 . 1 1 6 6 LYS C C 6 174.335 174.335 175.805 -1.470 19391 7360 1 20 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.271 0.316 19391 7361 1 20 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.469 2.229 19391 7362 1 20 . 1 1 6 6 LYS H H 6 8.372 8.372 7.877 0.495 19391 7363 1 20 . 1 1 7 7 ARG N N 7 121.789 121.789 121.526 0.263 19391 7364 1 20 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.526 0.499 19391 7365 1 20 . 1 1 7 7 ARG C C 7 174.998 174.998 173.787 1.211 19391 7366 1 20 . 1 1 7 7 ARG CA C 7 54.877 54.877 54.561 0.316 19391 7367 1 20 . 1 1 7 7 ARG CB C 7 33.085 33.085 33.300 -0.215 19391 7368 1 20 . 1 1 7 7 ARG H H 7 7.894 7.894 7.611 0.283 19391 7369 1 20 . 1 1 8 8 TRP N N 8 122.774 122.774 124.227 -1.453 19391 7370 1 20 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.935 0.036 19391 7371 1 20 . 1 1 8 8 TRP C C 8 175.679 175.679 174.059 1.620 19391 7372 1 20 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.899 0.443 19391 7373 1 20 . 1 1 8 8 TRP CB C 8 33.044 33.044 30.356 2.688 19391 7374 1 20 . 1 1 8 8 TRP H H 8 9.002 9.002 8.439 0.563 19391 7375 1 20 . 1 1 9 9 GLU N N 9 121.587 121.587 121.314 0.273 19391 7376 1 20 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.757 -0.283 19391 7377 1 20 . 1 1 9 9 GLU C C 9 176.133 176.133 175.556 0.577 19391 7378 1 20 . 1 1 9 9 GLU CA C 9 57.487 57.487 55.350 2.136 19391 7379 1 20 . 1 1 9 9 GLU CB C 9 30.254 30.254 31.423 -1.169 19391 7380 1 20 . 1 1 9 9 GLU H H 9 8.879 8.879 8.597 0.282 19391 7381 1 20 . 1 1 10 10 CYS N N 10 122.770 122.770 121.788 0.982 19391 7382 1 20 . 1 1 10 10 CYS HA H 10 5.225 5.225 5.042 0.183 19391 7383 1 20 . 1 1 10 10 CYS C C 10 173.480 173.480 174.762 -1.282 19391 7384 1 20 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.563 0.488 19391 7385 1 20 . 1 1 10 10 CYS CB C 10 28.275 28.275 29.583 -1.308 19391 7386 1 20 . 1 1 10 10 CYS H H 10 8.351 8.351 8.707 -0.356 19391 7387 1 20 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.277 0.367 19391 7388 1 20 . 1 1 11 11 PRO C C 11 176.160 176.160 176.634 -0.474 19391 7389 1 20 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.959 -0.195 19391 7390 1 20 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.533 0.672 19391 7391 1 20 . 1 1 12 12 ALA N N 12 118.459 118.459 117.702 0.757 19391 7392 1 20 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.256 0.008 19391 7393 1 20 . 1 1 12 12 ALA C C 12 176.998 176.998 177.421 -0.423 19391 7394 1 20 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.794 0.380 19391 7395 1 20 . 1 1 12 12 ALA CB C 12 20.196 20.196 18.941 1.255 19391 7396 1 20 . 1 1 12 12 ALA H H 12 7.635 7.635 7.888 -0.253 19391 7397 1 20 . 1 1 13 13 LEU N N 13 117.171 117.171 120.769 -3.598 19391 7398 1 20 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.617 -0.302 19391 7399 1 20 . 1 1 13 13 LEU C C 13 173.277 173.277 174.710 -1.433 19391 7400 1 20 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.148 0.009 19391 7401 1 20 . 1 1 13 13 LEU CB C 13 40.980 40.980 43.485 -2.505 19391 7402 1 20 . 1 1 13 13 LEU H H 13 7.449 7.449 7.756 -0.307 19391 7403 1 20 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.503 -0.069 19391 7404 1 20 . 1 1 14 14 PRO C C 14 174.999 174.999 176.178 -1.179 19391 7405 1 20 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.025 0.673 19391 7406 1 20 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.337 -0.527 19391 7407 1 20 . 1 1 15 15 GLN N N 15 120.091 120.091 123.132 -3.041 19391 7408 1 20 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.168 -0.019 19391 7409 1 20 . 1 1 15 15 GLN C C 15 177.099 177.099 176.924 0.175 19391 7410 1 20 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.373 0.959 19391 7411 1 20 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.323 0.533 19391 7412 1 20 . 1 1 15 15 GLN H H 15 8.368 8.368 8.479 -0.111 19391 7413 1 20 . 1 1 16 16 GLY N N 16 113.023 113.023 111.259 1.764 19391 7414 1 20 . 1 1 16 16 GLY C C 16 174.735 174.735 174.207 0.528 19391 7415 1 20 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.639 0.654 19391 7416 1 20 . 1 1 16 16 GLY H H 16 8.828 8.828 8.666 0.162 19391 7417 1 20 . 1 1 17 17 TRP N N 17 121.152 121.152 121.811 -0.659 19391 7418 1 20 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.238 -0.421 19391 7419 1 20 . 1 1 17 17 TRP C C 17 177.275 177.275 176.190 1.085 19391 7420 1 20 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.090 2.063 19391 7421 1 20 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.696 -0.406 19391 7422 1 20 . 1 1 17 17 TRP H H 17 8.006 8.006 8.096 -0.090 19391 7423 1 20 . 1 1 18 18 GLU N N 18 120.147 120.147 117.672 2.475 19391 7424 1 20 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.828 0.427 19391 7425 1 20 . 1 1 18 18 GLU C C 18 174.373 174.373 174.975 -0.602 19391 7426 1 20 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.490 -0.399 19391 7427 1 20 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.786 0.589 19391 7428 1 20 . 1 1 18 18 GLU H H 18 8.934 8.934 8.570 0.363 19391 7429 1 20 . 1 1 19 19 ARG N N 19 122.215 122.215 119.571 2.644 19391 7430 1 20 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.515 0.491 19391 7431 1 20 . 1 1 19 19 ARG C C 19 174.040 174.040 174.119 -0.079 19391 7432 1 20 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.984 -0.618 19391 7433 1 20 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.406 1.484 19391 7434 1 20 . 1 1 19 19 ARG H H 19 9.300 9.300 8.436 0.864 19391 7435 1 20 . 1 1 20 20 GLU N N 20 127.885 127.885 122.785 5.100 19391 7436 1 20 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.758 0.527 19391 7437 1 20 . 1 1 20 20 GLU C C 20 173.582 173.582 174.249 -0.667 19391 7438 1 20 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.608 -0.154 19391 7439 1 20 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.222 2.350 19391 7440 1 20 . 1 1 20 20 GLU H H 20 9.460 9.460 8.154 1.306 19391 7441 1 20 . 1 1 21 21 GLU N N 21 123.590 123.590 124.477 -0.887 19391 7442 1 20 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.671 0.647 19391 7443 1 20 . 1 1 21 21 GLU C C 21 176.091 176.091 174.854 1.237 19391 7444 1 20 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.449 -0.991 19391 7445 1 20 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.078 0.774 19391 7446 1 20 . 1 1 21 21 GLU H H 21 8.580 8.580 8.525 0.055 19391 7447 1 20 . 1 1 22 22 VAL N N 22 123.718 123.718 123.281 0.437 19391 7448 1 20 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.551 0.217 19391 7449 1 20 . 1 1 22 22 VAL C C 22 169.573 169.573 173.647 -4.074 19391 7450 1 20 . 1 1 22 22 VAL CA C 22 58.989 58.989 59.483 -0.494 19391 7451 1 20 . 1 1 22 22 VAL CB C 22 35.259 35.259 35.337 -0.077 19391 7452 1 20 . 1 1 22 22 VAL H H 22 9.177 9.177 8.446 0.731 19391 7453 1 20 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.688 0.067 19391 7454 1 20 . 1 1 23 23 PRO C C 23 176.679 176.679 176.472 0.207 19391 7455 1 20 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.132 0.332 19391 7456 1 20 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.493 -0.395 19391 7457 1 20 . 1 1 24 24 ARG N N 24 123.629 123.629 123.015 0.614 19391 7458 1 20 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.233 0.255 19391 7459 1 20 . 1 1 24 24 ARG C C 24 177.926 177.926 176.736 1.190 19391 7460 1 20 . 1 1 24 24 ARG CA C 24 56.430 56.430 57.157 -0.727 19391 7461 1 20 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.006 -0.018 19391 7462 1 20 . 1 1 24 24 ARG H H 24 8.726 8.726 8.123 0.603 19391 7463 1 20 . 1 1 25 25 ARG N N 25 124.327 124.327 120.347 3.980 19391 7464 1 20 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.399 -0.056 19391 7465 1 20 . 1 1 25 25 ARG C C 25 176.213 176.213 176.214 -0.001 19391 7466 1 20 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.238 1.232 19391 7467 1 20 . 1 1 25 25 ARG CB C 25 31.208 31.208 31.413 -0.205 19391 7468 1 20 . 1 1 25 25 ARG H H 25 9.070 9.070 8.559 0.511 19391 7469 1 20 . 1 1 26 26 SER N N 26 114.348 114.348 115.815 -1.467 19391 7470 1 20 . 1 1 26 26 SER HA H 26 4.652 4.652 4.677 -0.025 19391 7471 1 20 . 1 1 26 26 SER C C 26 173.704 173.704 173.554 0.150 19391 7472 1 20 . 1 1 26 26 SER CA C 26 57.727 57.727 58.215 -0.488 19391 7473 1 20 . 1 1 26 26 SER CB C 26 65.099 65.099 63.684 1.415 19391 7474 1 20 . 1 1 26 26 SER H H 26 8.071 8.071 7.807 0.264 19391 7475 1 20 . 1 1 27 27 GLY N N 27 108.224 108.224 112.526 -4.302 19391 7476 1 20 . 1 1 27 27 GLY C C 27 175.321 175.321 175.050 0.271 19391 7477 1 20 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.016 0.147 19391 7478 1 20 . 1 1 27 27 GLY H H 27 8.433 8.433 7.998 0.435 19391 7479 1 20 . 1 1 28 28 LEU N N 28 122.251 122.251 120.611 1.640 19391 7480 1 20 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.228 0.021 19391 7481 1 20 . 1 1 28 28 LEU C C 28 178.691 178.691 177.646 1.045 19391 7482 1 20 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.594 0.199 19391 7483 1 20 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.387 -0.204 19391 7484 1 20 . 1 1 28 28 LEU H H 28 8.752 8.752 8.573 0.179 19391 7485 1 20 . 1 1 29 29 SER N N 29 113.375 113.375 113.055 0.320 19391 7486 1 20 . 1 1 29 29 SER HA H 29 4.440 4.440 4.584 -0.144 19391 7487 1 20 . 1 1 29 29 SER C C 29 173.707 173.707 173.852 -0.145 19391 7488 1 20 . 1 1 29 29 SER CA C 29 57.782 57.782 57.979 -0.197 19391 7489 1 20 . 1 1 29 29 SER CB C 29 63.353 63.353 62.844 0.509 19391 7490 1 20 . 1 1 29 29 SER H H 29 8.397 8.397 8.135 0.262 19391 7491 1 20 . 1 1 30 30 ALA N N 30 124.539 124.539 123.506 1.033 19391 7492 1 20 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.091 -0.179 19391 7493 1 20 . 1 1 30 30 ALA C C 30 178.198 178.198 177.954 0.244 19391 7494 1 20 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.908 -0.332 19391 7495 1 20 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.851 -0.429 19391 7496 1 20 . 1 1 30 30 ALA H H 30 7.623 7.623 7.283 0.340 19391 7497 1 20 . 1 1 31 31 GLY N N 31 109.642 109.642 112.411 -2.769 19391 7498 1 20 . 1 1 31 31 GLY C C 31 174.534 174.534 174.900 -0.366 19391 7499 1 20 . 1 1 31 31 GLY CA C 31 45.242 45.242 44.891 0.352 19391 7500 1 20 . 1 1 31 31 GLY H H 31 8.713 8.713 8.579 0.134 19391 7501 1 20 . 1 1 32 32 HIS N N 32 119.677 119.677 121.578 -1.901 19391 7502 1 20 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.793 -0.229 19391 7503 1 20 . 1 1 32 32 HIS C C 32 174.544 174.544 174.295 0.249 19391 7504 1 20 . 1 1 32 32 HIS CA C 32 56.416 56.416 56.521 -0.105 19391 7505 1 20 . 1 1 32 32 HIS CB C 32 29.586 29.586 31.296 -1.710 19391 7506 1 20 . 1 1 32 32 HIS H H 32 8.304 8.304 7.924 0.380 19391 7507 1 20 . 1 1 33 33 ARG N N 33 124.677 124.677 119.323 5.354 19391 7508 1 20 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.578 0.027 19391 7509 1 20 . 1 1 33 33 ARG C C 33 174.869 174.869 175.120 -0.251 19391 7510 1 20 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.593 0.169 19391 7511 1 20 . 1 1 33 33 ARG CB C 33 31.200 31.200 32.355 -1.155 19391 7512 1 20 . 1 1 33 33 ARG H H 33 8.731 8.731 8.538 0.193 19391 7513 1 20 . 1 1 34 34 ASP N N 34 124.378 124.378 124.842 -0.464 19391 7514 1 20 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.860 0.016 19391 7515 1 20 . 1 1 34 34 ASP C C 34 174.057 174.057 174.609 -0.552 19391 7516 1 20 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.533 0.512 19391 7517 1 20 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.916 -0.064 19391 7518 1 20 . 1 1 34 34 ASP H H 34 8.387 8.387 8.461 -0.074 19391 7519 1 20 . 1 1 35 35 VAL N N 35 121.095 121.095 120.618 0.477 19391 7520 1 20 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.362 0.388 19391 7521 1 20 . 1 1 35 35 VAL C C 35 173.600 173.600 174.441 -0.841 19391 7522 1 20 . 1 1 35 35 VAL CA C 35 61.357 61.357 60.974 0.383 19391 7523 1 20 . 1 1 35 35 VAL CB C 35 34.078 34.078 32.564 1.514 19391 7524 1 20 . 1 1 35 35 VAL H H 35 8.023 8.023 8.309 -0.286 19391 7525 1 20 . 1 1 36 36 PHE N N 36 122.163 122.163 123.395 -1.232 19391 7526 1 20 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.730 0.868 19391 7527 1 20 . 1 1 36 36 PHE C C 36 174.164 174.164 173.842 0.322 19391 7528 1 20 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.264 -1.556 19391 7529 1 20 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.618 1.360 19391 7530 1 20 . 1 1 36 36 PHE H H 36 8.710 8.710 8.430 0.280 19391 7531 1 20 . 1 1 37 37 TYR N N 37 116.406 116.406 118.321 -1.915 19391 7532 1 20 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.713 0.974 19391 7533 1 20 . 1 1 37 37 TYR C C 37 174.694 174.694 174.303 0.391 19391 7534 1 20 . 1 1 37 37 TYR CA C 37 56.864 56.864 55.725 1.139 19391 7535 1 20 . 1 1 37 37 TYR CB C 37 43.477 43.477 40.110 3.367 19391 7536 1 20 . 1 1 37 37 TYR H H 37 8.552 8.552 8.214 0.338 19391 7537 1 20 . 1 1 38 38 TYR N N 38 118.594 118.594 121.946 -3.352 19391 7538 1 20 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.218 0.526 19391 7539 1 20 . 1 1 38 38 TYR C C 38 175.481 175.481 175.577 -0.096 19391 7540 1 20 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.898 -0.948 19391 7541 1 20 . 1 1 38 38 TYR CB C 38 42.287 42.287 40.322 1.965 19391 7542 1 20 . 1 1 38 38 TYR H H 38 9.445 9.445 8.334 1.111 19391 7543 1 20 . 1 1 39 39 SER N N 39 118.327 118.327 117.767 0.560 19391 7544 1 20 . 1 1 39 39 SER HA H 39 2.098 2.098 4.149 -2.051 19391 7545 1 20 . 1 1 39 39 SER C C 39 174.399 174.399 174.187 0.212 19391 7546 1 20 . 1 1 39 39 SER CA C 39 55.375 55.375 55.076 0.299 19391 7547 1 20 . 1 1 39 39 SER CB C 39 62.873 62.873 62.684 0.189 19391 7548 1 20 . 1 1 39 39 SER H H 39 8.808 8.808 8.179 0.629 19391 7549 1 20 . 1 1 41 41 SER HA H 41 4.452 4.452 4.411 0.041 19391 7550 1 20 . 1 1 41 41 SER C C 41 174.963 174.963 175.142 -0.179 19391 7551 1 20 . 1 1 41 41 SER CA C 41 57.861 57.861 57.819 0.042 19391 7552 1 20 . 1 1 41 41 SER CB C 41 63.763 63.763 63.061 0.702 19391 7553 1 20 . 1 1 42 42 GLY N N 42 111.741 111.741 110.476 1.265 19391 7554 1 20 . 1 1 42 42 GLY C C 42 173.938 173.938 174.391 -0.453 19391 7555 1 20 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.611 -0.182 19391 7556 1 20 . 1 1 42 42 GLY H H 42 8.292 8.292 8.115 0.177 19391 7557 1 20 . 1 1 43 43 LYS N N 43 122.381 122.381 121.631 0.750 19391 7558 1 20 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.310 -0.219 19391 7559 1 20 . 1 1 43 43 LYS C C 43 174.049 174.049 176.119 -2.070 19391 7560 1 20 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.539 -0.031 19391 7561 1 20 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.409 -0.619 19391 7562 1 20 . 1 1 43 43 LYS H H 43 7.361 7.361 7.454 -0.093 19391 7563 1 20 . 1 1 44 44 LYS N N 44 125.831 125.831 125.377 0.454 19391 7564 1 20 . 1 1 44 44 LYS HA H 44 4.494 4.494 5.293 -0.799 19391 7565 1 20 . 1 1 44 44 LYS C C 44 175.970 175.970 176.018 -0.048 19391 7566 1 20 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.328 0.381 19391 7567 1 20 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.247 2.393 19391 7568 1 20 . 1 1 44 44 LYS H H 44 8.078 8.078 8.415 -0.337 19391 7569 1 20 . 1 1 45 45 PHE N N 45 124.636 124.636 119.580 5.056 19391 7570 1 20 . 1 1 45 45 PHE HA H 45 4.782 4.782 5.051 -0.269 19391 7571 1 20 . 1 1 45 45 PHE C C 45 176.205 176.205 174.287 1.918 19391 7572 1 20 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.193 1.760 19391 7573 1 20 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.931 1.045 19391 7574 1 20 . 1 1 45 45 PHE H H 45 9.707 9.707 7.923 1.784 19391 7575 1 20 . 1 1 46 46 ARG N N 46 117.959 117.959 120.204 -2.245 19391 7576 1 20 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.796 0.604 19391 7577 1 20 . 1 1 46 46 ARG C C 46 175.059 175.059 174.554 0.505 19391 7578 1 20 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.686 -0.364 19391 7579 1 20 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.249 3.134 19391 7580 1 20 . 1 1 46 46 ARG H H 46 9.430 9.430 8.675 0.755 19391 7581 1 20 . 1 1 47 47 SER N N 47 115.115 115.115 113.674 1.441 19391 7582 1 20 . 1 1 47 47 SER HA H 47 4.069 4.069 4.232 -0.163 19391 7583 1 20 . 1 1 47 47 SER C C 47 172.762 172.762 174.714 -1.952 19391 7584 1 20 . 1 1 47 47 SER CA C 47 56.797 56.797 56.897 -0.100 19391 7585 1 20 . 1 1 47 47 SER CB C 47 66.892 66.892 66.343 0.549 19391 7586 1 20 . 1 1 47 47 SER H H 47 7.926 7.926 7.588 0.338 19391 7587 1 20 . 1 1 48 48 LYS N N 48 122.914 122.914 125.973 -3.059 19391 7588 1 20 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.058 0.041 19391 7589 1 20 . 1 1 48 48 LYS CA C 48 61.570 61.570 61.083 0.487 19391 7590 1 20 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.603 -0.353 19391 7591 1 20 . 1 1 48 48 LYS H H 48 8.994 8.994 8.587 0.407 19391 7592 1 20 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.146 0.238 19391 7593 1 20 . 1 1 49 49 PRO C C 49 179.505 179.505 179.236 0.269 19391 7594 1 20 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.965 0.297 19391 7595 1 20 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.350 -0.096 19391 7596 1 20 . 1 1 50 50 GLN N N 50 116.141 116.141 117.405 -1.264 19391 7597 1 20 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.068 0.091 19391 7598 1 20 . 1 1 50 50 GLN C C 50 179.539 179.539 178.672 0.867 19391 7599 1 20 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.903 0.310 19391 7600 1 20 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.576 0.789 19391 7601 1 20 . 1 1 50 50 GLN H H 50 7.333 7.333 8.267 -0.934 19391 7602 1 20 . 1 1 51 51 LEU N N 51 122.318 122.318 121.092 1.226 19391 7603 1 20 . 1 1 51 51 LEU HA H 51 3.812 3.812 4.020 -0.208 19391 7604 1 20 . 1 1 51 51 LEU C C 51 177.948 177.948 178.523 -0.575 19391 7605 1 20 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.857 0.287 19391 7606 1 20 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.123 2.328 19391 7607 1 20 . 1 1 51 51 LEU H H 51 7.957 7.957 7.671 0.286 19391 7608 1 20 . 1 1 52 52 ALA N N 52 120.627 120.627 120.613 0.014 19391 7609 1 20 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.974 -0.064 19391 7610 1 20 . 1 1 52 52 ALA C C 52 181.360 181.360 179.556 1.804 19391 7611 1 20 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.779 0.115 19391 7612 1 20 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.452 -0.266 19391 7613 1 20 . 1 1 52 52 ALA H H 52 9.134 9.134 7.845 1.289 19391 7614 1 20 . 1 1 53 53 ARG N N 53 118.087 118.087 120.063 -1.976 19391 7615 1 20 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.935 0.175 19391 7616 1 20 . 1 1 53 53 ARG C C 53 178.186 178.186 178.499 -0.313 19391 7617 1 20 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.409 -0.113 19391 7618 1 20 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.260 0.295 19391 7619 1 20 . 1 1 53 53 ARG H H 53 8.095 8.095 8.005 0.090 19391 7620 1 20 . 1 1 54 54 TYR N N 54 119.692 119.692 119.777 -0.085 19391 7621 1 20 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.246 0.131 19391 7622 1 20 . 1 1 54 54 TYR C C 54 177.809 177.809 178.070 -0.261 19391 7623 1 20 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.055 0.287 19391 7624 1 20 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.853 1.546 19391 7625 1 20 . 1 1 54 54 TYR H H 54 7.584 7.584 8.015 -0.431 19391 7626 1 20 . 1 1 55 55 LEU N N 55 117.313 117.313 115.800 1.513 19391 7627 1 20 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.182 -0.027 19391 7628 1 20 . 1 1 55 55 LEU C C 55 178.784 178.784 177.325 1.459 19391 7629 1 20 . 1 1 55 55 LEU CA C 55 55.788 55.788 55.383 0.405 19391 7630 1 20 . 1 1 55 55 LEU CB C 55 42.783 42.783 40.431 2.352 19391 7631 1 20 . 1 1 55 55 LEU H H 55 8.279 8.279 7.870 0.409 19391 7632 1 20 . 1 1 56 56 GLY N N 56 108.526 108.526 106.950 1.576 19391 7633 1 20 . 1 1 56 56 GLY C C 56 174.749 174.749 175.588 -0.839 19391 7634 1 20 . 1 1 56 56 GLY CA C 56 46.751 46.751 45.149 1.602 19391 7635 1 20 . 1 1 56 56 GLY H H 56 7.911 7.911 7.415 0.496 19391 7636 1 20 . 1 1 57 57 GLY N N 57 109.514 109.514 108.481 1.033 19391 7637 1 20 . 1 1 57 57 GLY C C 57 175.034 175.034 175.131 -0.097 19391 7638 1 20 . 1 1 57 57 GLY CA C 57 45.648 45.648 46.136 -0.489 19391 7639 1 20 . 1 1 57 57 GLY H H 57 8.644 8.644 8.330 0.314 19391 7640 1 20 . 1 1 58 58 SER N N 58 114.666 114.666 114.252 0.414 19391 7641 1 20 . 1 1 58 58 SER HA H 58 4.355 4.355 4.450 -0.095 19391 7642 1 20 . 1 1 58 58 SER C C 58 173.748 173.748 175.065 -1.317 19391 7643 1 20 . 1 1 58 58 SER CA C 58 60.013 60.013 59.185 0.828 19391 7644 1 20 . 1 1 58 58 SER CB C 58 64.173 64.173 63.903 0.270 19391 7645 1 20 . 1 1 58 58 SER H H 58 8.058 8.058 8.029 0.029 19391 7646 1 20 . 1 1 59 59 MET N N 59 118.467 118.467 119.830 -1.363 19391 7647 1 20 . 1 1 59 59 MET HA H 59 4.475 4.475 4.671 -0.196 19391 7648 1 20 . 1 1 59 59 MET C C 59 172.909 172.909 173.944 -1.035 19391 7649 1 20 . 1 1 59 59 MET CA C 59 56.185 56.185 54.737 1.448 19391 7650 1 20 . 1 1 59 59 MET CB C 59 35.552 35.552 35.700 -0.149 19391 7651 1 20 . 1 1 59 59 MET H H 59 7.442 7.442 7.425 0.017 19391 7652 1 20 . 1 1 60 60 ASP N N 60 121.779 121.779 124.565 -2.786 19391 7653 1 20 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.790 -0.097 19391 7654 1 20 . 1 1 60 60 ASP C C 60 176.867 176.867 176.084 0.783 19391 7655 1 20 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.971 -0.690 19391 7656 1 20 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.551 0.429 19391 7657 1 20 . 1 1 60 60 ASP H H 60 8.401 8.401 8.585 -0.184 19391 7658 1 20 . 1 1 61 61 LEU N N 61 126.474 126.474 125.300 1.174 19391 7659 1 20 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.505 -0.111 19391 7660 1 20 . 1 1 61 61 LEU C C 61 178.536 178.536 178.141 0.395 19391 7661 1 20 . 1 1 61 61 LEU CA C 61 54.039 54.039 55.449 -1.410 19391 7662 1 20 . 1 1 61 61 LEU CB C 61 41.613 41.613 41.645 -0.032 19391 7663 1 20 . 1 1 61 61 LEU H H 61 9.015 9.015 8.483 0.532 19391 7664 1 20 . 1 1 62 62 SER N N 62 120.014 120.014 115.663 4.351 19391 7665 1 20 . 1 1 62 62 SER HA H 62 4.125 4.125 4.307 -0.182 19391 7666 1 20 . 1 1 62 62 SER C C 62 176.669 176.669 175.359 1.310 19391 7667 1 20 . 1 1 62 62 SER CA C 62 63.345 63.345 61.049 2.296 19391 7668 1 20 . 1 1 62 62 SER CB C 62 62.553 62.553 62.848 -0.295 19391 7669 1 20 . 1 1 62 62 SER H H 62 8.871 8.871 8.323 0.548 19391 7670 1 20 . 1 1 63 63 THR N N 63 110.495 110.495 112.064 -1.569 19391 7671 1 20 . 1 1 63 63 THR HA H 63 4.510 4.510 4.420 0.090 19391 7672 1 20 . 1 1 63 63 THR C C 63 173.862 173.862 173.789 0.073 19391 7673 1 20 . 1 1 63 63 THR CA C 63 61.006 61.006 61.507 -0.501 19391 7674 1 20 . 1 1 63 63 THR CB C 63 67.976 67.976 69.389 -1.413 19391 7675 1 20 . 1 1 63 63 THR H H 63 8.363 8.363 7.695 0.668 19391 7676 1 20 . 1 1 64 64 PHE N N 64 123.605 123.605 124.575 -0.970 19391 7677 1 20 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.567 0.049 19391 7678 1 20 . 1 1 64 64 PHE C C 64 173.716 173.716 173.245 0.471 19391 7679 1 20 . 1 1 64 64 PHE CA C 64 58.017 58.017 57.530 0.487 19391 7680 1 20 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.160 -0.216 19391 7681 1 20 . 1 1 64 64 PHE H H 64 7.472 7.472 7.976 -0.504 19391 7682 1 20 . 1 1 65 65 ASP N N 65 129.564 129.564 127.375 2.189 19391 7683 1 20 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.511 0.016 19391 7684 1 20 . 1 1 65 65 ASP C C 65 173.973 173.973 175.541 -1.568 19391 7685 1 20 . 1 1 65 65 ASP CA C 65 52.813 52.813 53.492 -0.679 19391 7686 1 20 . 1 1 65 65 ASP CB C 65 41.948 41.948 40.961 0.987 19391 7687 1 20 . 1 1 65 65 ASP H H 65 8.574 8.574 8.401 0.173 19391 7688 1 20 . 1 1 66 66 PHE N N 66 128.221 128.221 126.732 1.489 19391 7689 1 20 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.350 -0.693 19391 7690 1 20 . 1 1 66 66 PHE C C 66 177.535 177.535 176.357 1.178 19391 7691 1 20 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.747 0.999 19391 7692 1 20 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.773 1.469 19391 7693 1 20 . 1 1 66 66 PHE H H 66 8.886 8.886 8.114 0.772 19391 7694 1 20 . 1 1 67 67 ARG N N 67 116.246 116.246 119.627 -3.381 19391 7695 1 20 . 1 1 67 67 ARG HA H 67 4.761 4.761 3.912 0.849 19391 7696 1 20 . 1 1 67 67 ARG C C 67 178.024 178.024 177.157 0.867 19391 7697 1 20 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.814 0.847 19391 7698 1 20 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.555 0.174 19391 7699 1 20 . 1 1 67 67 ARG H H 67 8.804 8.804 8.345 0.459 19391 7700 1 20 . 1 1 68 68 THR N N 68 105.409 105.409 107.350 -1.941 19391 7701 1 20 . 1 1 68 68 THR HA H 68 4.199 4.199 4.133 0.066 19391 7702 1 20 . 1 1 68 68 THR C C 68 176.417 176.417 174.710 1.707 19391 7703 1 20 . 1 1 68 68 THR CA C 68 62.233 62.233 62.132 0.101 19391 7704 1 20 . 1 1 68 68 THR CB C 68 71.221 71.221 69.244 1.977 19391 7705 1 20 . 1 1 68 68 THR H H 68 7.407 7.407 7.728 -0.321 19391 7706 1 20 . 1 1 69 69 GLY N N 69 113.199 113.199 111.579 1.620 19391 7707 1 20 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.903 1.311 19391 7708 1 20 . 1 1 69 69 GLY H H 69 8.344 8.344 7.869 0.475 19391 7709 1 20 . 1 1 70 70 LYS N N 70 116.533 116.533 118.494 -1.961 19391 7710 1 20 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.529 -0.131 19391 7711 1 20 . 1 1 70 70 LYS C C 70 175.022 175.022 174.730 0.292 19391 7712 1 20 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.940 0.673 19391 7713 1 20 . 1 1 70 70 LYS CB C 70 35.075 35.075 35.601 -0.526 19391 7714 1 20 . 1 1 70 70 LYS H H 70 6.887 6.887 6.990 -0.103 19391 7715 1 20 . 1 1 71 71 MET N N 71 119.590 119.590 122.901 -3.311 19391 7716 1 20 . 1 1 71 71 MET HA H 71 4.770 4.770 4.613 0.157 19391 7717 1 20 . 1 1 71 71 MET C C 71 175.810 175.810 174.979 0.831 19391 7718 1 20 . 1 1 71 71 MET CA C 71 54.296 54.296 54.516 -0.220 19391 7719 1 20 . 1 1 71 71 MET CB C 71 32.118 32.118 33.146 -1.028 19391 7720 1 20 . 1 1 71 71 MET H H 71 8.423 8.423 8.623 -0.200 19391 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 63 2.357 -0.045 2.376 19391 2 1 1 "Average Difference" HA 75 0.401 -0.063 0.399 19391 3 1 1 "Average Difference" C 67 0.972 0.020 0.979 19391 4 1 1 "Average Difference" CA 69 0.988 -0.253 0.962 19391 5 1 1 "Average Difference" CB 62 1.057 -0.456 0.961 19391 6 1 1 "Average Difference" HN 63 0.546 -0.152 0.529 19391 7 1 2 "Average Difference" N 63 2.447 0.309 2.446 19391 8 1 2 "Average Difference" HA 75 0.383 -0.071 0.379 19391 9 1 2 "Average Difference" C 67 1.031 -0.085 1.035 19391 10 1 2 "Average Difference" CA 69 0.841 -0.338 0.776 19391 11 1 2 "Average Difference" CB 62 1.260 -0.555 1.141 19391 12 1 2 "Average Difference" HN 63 0.514 -0.231 0.462 19391 13 1 3 "Average Difference" N 63 2.511 0.290 2.514 19391 14 1 3 "Average Difference" HA 75 0.378 -0.090 0.370 19391 15 1 3 "Average Difference" C 67 1.037 -0.114 1.038 19391 16 1 3 "Average Difference" CA 69 0.820 -0.279 0.777 19391 17 1 3 "Average Difference" CB 62 1.124 -0.498 1.016 19391 18 1 3 "Average Difference" HN 63 0.513 -0.175 0.486 19391 19 1 4 "Average Difference" N 63 2.274 0.138 2.289 19391 20 1 4 "Average Difference" HA 75 0.429 -0.116 0.416 19391 21 1 4 "Average Difference" C 67 1.079 0.073 1.084 19391 22 1 4 "Average Difference" CA 69 0.947 -0.168 0.939 19391 23 1 4 "Average Difference" CB 62 1.148 -0.514 1.035 19391 24 1 4 "Average Difference" HN 63 0.556 -0.153 0.539 19391 25 1 5 "Average Difference" N 63 2.058 0.016 2.074 19391 26 1 5 "Average Difference" HA 75 0.395 -0.077 0.390 19391 27 1 5 "Average Difference" C 67 0.941 -0.081 0.945 19391 28 1 5 "Average Difference" CA 69 0.857 -0.270 0.819 19391 29 1 5 "Average Difference" CB 62 1.117 -0.488 1.013 19391 30 1 5 "Average Difference" HN 63 0.504 -0.171 0.478 19391 31 1 6 "Average Difference" N 63 1.974 0.105 1.987 19391 32 1 6 "Average Difference" HA 75 0.431 -0.091 0.424 19391 33 1 6 "Average Difference" C 67 1.070 -0.070 1.076 19391 34 1 6 "Average Difference" CA 69 0.790 -0.241 0.758 19391 35 1 6 "Average Difference" CB 62 1.167 -0.502 1.062 19391 36 1 6 "Average Difference" HN 63 0.547 -0.220 0.505 19391 37 1 7 "Average Difference" N 63 2.502 0.003 2.522 19391 38 1 7 "Average Difference" HA 75 0.392 -0.059 0.390 19391 39 1 7 "Average Difference" C 67 0.985 -0.033 0.992 19391 40 1 7 "Average Difference" CA 69 0.897 -0.261 0.865 19391 41 1 7 "Average Difference" CB 62 1.345 -0.556 1.234 19391 42 1 7 "Average Difference" HN 63 0.522 -0.181 0.494 19391 43 1 8 "Average Difference" N 63 2.173 -0.209 2.181 19391 44 1 8 "Average Difference" HA 75 0.400 -0.066 0.397 19391 45 1 8 "Average Difference" C 67 0.970 -0.035 0.977 19391 46 1 8 "Average Difference" CA 69 0.898 -0.328 0.843 19391 47 1 8 "Average Difference" CB 62 1.168 -0.488 1.070 19391 48 1 8 "Average Difference" HN 63 0.512 -0.179 0.483 19391 49 1 9 "Average Difference" N 63 2.093 -0.010 2.109 19391 50 1 9 "Average Difference" HA 75 0.411 -0.060 0.410 19391 51 1 9 "Average Difference" C 67 0.993 0.011 1.001 19391 52 1 9 "Average Difference" CA 69 0.818 -0.260 0.781 19391 53 1 9 "Average Difference" CB 62 1.196 -0.501 1.095 19391 54 1 9 "Average Difference" HN 63 0.517 -0.175 0.490 19391 55 1 10 "Average Difference" N 63 2.274 0.164 2.287 19391 56 1 10 "Average Difference" HA 75 0.345 -0.061 0.342 19391 57 1 10 "Average Difference" C 67 1.048 -0.029 1.055 19391 58 1 10 "Average Difference" CA 69 1.078 -0.235 1.060 19391 59 1 10 "Average Difference" CB 62 1.204 -0.395 1.147 19391 60 1 10 "Average Difference" HN 63 0.524 -0.166 0.501 19391 61 1 11 "Average Difference" N 63 2.348 0.088 2.365 19391 62 1 11 "Average Difference" HA 75 0.372 -0.101 0.360 19391 63 1 11 "Average Difference" C 67 1.113 0.082 1.119 19391 64 1 11 "Average Difference" CA 69 1.004 -0.162 0.999 19391 65 1 11 "Average Difference" CB 62 1.211 -0.560 1.082 19391 66 1 11 "Average Difference" HN 63 0.562 -0.164 0.542 19391 67 1 12 "Average Difference" N 63 2.310 -0.020 2.328 19391 68 1 12 "Average Difference" HA 75 0.401 -0.054 0.400 19391 69 1 12 "Average Difference" C 67 0.996 -0.001 1.004 19391 70 1 12 "Average Difference" CA 69 0.900 -0.339 0.840 19391 71 1 12 "Average Difference" CB 62 1.160 -0.374 1.107 19391 72 1 12 "Average Difference" HN 63 0.444 -0.132 0.427 19391 73 1 13 "Average Difference" N 63 1.886 0.316 1.874 19391 74 1 13 "Average Difference" HA 75 0.411 -0.076 0.407 19391 75 1 13 "Average Difference" C 67 1.028 -0.001 1.036 19391 76 1 13 "Average Difference" CA 69 0.910 -0.302 0.865 19391 77 1 13 "Average Difference" CB 62 1.200 -0.560 1.070 19391 78 1 13 "Average Difference" HN 63 0.511 -0.151 0.492 19391 79 1 14 "Average Difference" N 63 2.416 -0.022 2.436 19391 80 1 14 "Average Difference" HA 75 0.361 -0.071 0.357 19391 81 1 14 "Average Difference" C 67 1.050 0.023 1.058 19391 82 1 14 "Average Difference" CA 69 0.917 -0.260 0.885 19391 83 1 14 "Average Difference" CB 62 1.336 -0.511 1.244 19391 84 1 14 "Average Difference" HN 63 0.549 -0.237 0.499 19391 85 1 15 "Average Difference" N 63 1.936 0.028 1.952 19391 86 1 15 "Average Difference" HA 75 0.406 -0.099 0.397 19391 87 1 15 "Average Difference" C 67 1.059 0.067 1.065 19391 88 1 15 "Average Difference" CA 69 0.972 -0.247 0.946 19391 89 1 15 "Average Difference" CB 62 1.221 -0.521 1.114 19391 90 1 15 "Average Difference" HN 63 0.488 -0.136 0.472 19391 91 1 16 "Average Difference" N 63 2.363 0.101 2.380 19391 92 1 16 "Average Difference" HA 75 0.393 -0.038 0.394 19391 93 1 16 "Average Difference" C 67 0.985 -0.127 0.984 19391 94 1 16 "Average Difference" CA 69 0.914 -0.338 0.856 19391 95 1 16 "Average Difference" CB 62 1.153 -0.483 1.055 19391 96 1 16 "Average Difference" HN 63 0.526 -0.165 0.504 19391 97 1 17 "Average Difference" N 63 2.053 0.150 2.064 19391 98 1 17 "Average Difference" HA 75 0.413 -0.112 0.400 19391 99 1 17 "Average Difference" C 67 1.000 -0.106 1.002 19391 100 1 17 "Average Difference" CA 69 0.926 -0.250 0.898 19391 101 1 17 "Average Difference" CB 62 1.328 -0.490 1.245 19391 102 1 17 "Average Difference" HN 63 0.548 -0.188 0.519 19391 103 1 18 "Average Difference" N 63 2.431 0.268 2.435 19391 104 1 18 "Average Difference" HA 75 0.371 -0.051 0.370 19391 105 1 18 "Average Difference" C 67 1.039 -0.085 1.043 19391 106 1 18 "Average Difference" CA 69 0.876 -0.318 0.823 19391 107 1 18 "Average Difference" CB 62 1.147 -0.396 1.086 19391 108 1 18 "Average Difference" HN 63 0.528 -0.117 0.519 19391 109 1 19 "Average Difference" N 63 2.353 0.152 2.367 19391 110 1 19 "Average Difference" HA 75 0.383 -0.037 0.384 19391 111 1 19 "Average Difference" C 67 1.039 -0.113 1.041 19391 112 1 19 "Average Difference" CA 69 0.889 -0.434 0.782 19391 113 1 19 "Average Difference" CB 62 1.170 -0.437 1.094 19391 114 1 19 "Average Difference" HN 63 0.510 -0.147 0.492 19391 115 1 20 "Average Difference" N 63 2.201 -0.032 2.218 19391 116 1 20 "Average Difference" HA 75 0.426 -0.093 0.419 19391 117 1 20 "Average Difference" C 67 1.030 -0.017 1.038 19391 118 1 20 "Average Difference" CA 69 0.802 -0.233 0.773 19391 119 1 20 "Average Difference" CB 62 1.358 -0.526 1.262 19391 120 1 20 "Average Difference" HN 63 0.528 -0.265 0.460 19391 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 19391 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER HA H 2 4.500 4.500 4.445 0.055 19391 2 1 . 1 1 2 2 SER C C 2 174.803 174.803 174.582 0.221 19391 3 1 . 1 1 2 2 SER CA C 2 58.624 58.624 58.459 0.165 19391 4 1 . 1 1 2 2 SER CB C 2 63.986 63.986 63.730 0.256 19391 5 1 . 1 1 3 3 MET N N 3 122.348 122.348 121.921 0.427 19391 6 1 . 1 1 3 3 MET HA H 3 4.546 4.546 4.400 0.146 19391 7 1 . 1 1 3 3 MET C C 3 175.969 175.969 175.514 0.455 19391 8 1 . 1 1 3 3 MET CA C 3 55.560 55.560 55.709 -0.149 19391 9 1 . 1 1 3 3 MET CB C 3 32.667 32.667 32.266 0.401 19391 10 1 . 1 1 3 3 MET H H 3 8.636 8.636 8.176 0.460 19391 11 1 . 1 1 4 4 GLU N N 4 121.792 121.792 121.739 0.053 19391 12 1 . 1 1 4 4 GLU HA H 4 4.303 4.303 4.304 -0.001 19391 13 1 . 1 1 4 4 GLU C C 4 175.884 175.884 175.579 0.305 19391 14 1 . 1 1 4 4 GLU CA C 4 56.531 56.531 56.143 0.388 19391 15 1 . 1 1 4 4 GLU CB C 4 30.594 30.594 30.175 0.419 19391 16 1 . 1 1 4 4 GLU H H 4 8.337 8.337 8.464 -0.127 19391 17 1 . 1 1 5 5 ARG N N 5 122.592 122.592 120.797 1.795 19391 18 1 . 1 1 5 5 ARG HA H 5 4.529 4.529 4.259 0.270 19391 19 1 . 1 1 5 5 ARG C C 5 175.556 175.556 175.737 -0.181 19391 20 1 . 1 1 5 5 ARG CA C 5 56.007 56.007 56.091 -0.084 19391 21 1 . 1 1 5 5 ARG CB C 5 31.177 31.177 30.763 0.414 19391 22 1 . 1 1 5 5 ARG H H 5 8.319 8.319 8.288 0.031 19391 23 1 . 1 1 6 6 LYS N N 6 123.750 123.750 123.723 0.027 19391 24 1 . 1 1 6 6 LYS HA H 6 4.405 4.405 4.177 0.228 19391 25 1 . 1 1 6 6 LYS C C 6 174.335 174.335 175.042 -0.707 19391 26 1 . 1 1 6 6 LYS CA C 6 55.587 55.587 55.153 0.434 19391 27 1 . 1 1 6 6 LYS CB C 6 34.698 34.698 32.758 1.940 19391 28 1 . 1 1 6 6 LYS H H 6 8.372 8.372 7.952 0.420 19391 29 1 . 1 1 7 7 ARG N N 7 121.789 121.789 122.803 -1.014 19391 30 1 . 1 1 7 7 ARG HA H 7 5.025 5.025 4.513 0.512 19391 31 1 . 1 1 7 7 ARG C C 7 174.998 174.998 174.783 0.215 19391 32 1 . 1 1 7 7 ARG CA C 7 54.877 54.877 55.146 -0.269 19391 33 1 . 1 1 7 7 ARG CB C 7 33.085 33.085 31.979 1.106 19391 34 1 . 1 1 7 7 ARG H H 7 7.894 7.894 7.965 -0.071 19391 35 1 . 1 1 8 8 TRP N N 8 122.774 122.774 123.391 -0.617 19391 36 1 . 1 1 8 8 TRP HA H 8 4.971 4.971 4.932 0.039 19391 37 1 . 1 1 8 8 TRP C C 8 175.679 175.679 175.063 0.616 19391 38 1 . 1 1 8 8 TRP CA C 8 56.342 56.342 55.536 0.806 19391 39 1 . 1 1 8 8 TRP CB C 8 33.044 33.044 31.359 1.685 19391 40 1 . 1 1 8 8 TRP H H 8 9.002 9.002 8.568 0.434 19391 41 1 . 1 1 9 9 GLU N N 9 121.587 121.587 121.589 -0.002 19391 42 1 . 1 1 9 9 GLU HA H 9 4.474 4.474 4.561 -0.087 19391 43 1 . 1 1 9 9 GLU C C 9 176.133 176.133 176.004 0.130 19391 44 1 . 1 1 9 9 GLU CA C 9 57.487 57.487 56.255 1.232 19391 45 1 . 1 1 9 9 GLU CB C 9 30.254 30.254 30.843 -0.589 19391 46 1 . 1 1 9 9 GLU H H 9 8.879 8.879 8.709 0.170 19391 47 1 . 1 1 10 10 CYS N N 10 122.770 122.770 124.292 -1.522 19391 48 1 . 1 1 10 10 CYS HA H 10 5.225 5.225 4.998 0.227 19391 49 1 . 1 1 10 10 CYS C C 10 173.480 173.480 174.546 -1.066 19391 50 1 . 1 1 10 10 CYS CA C 10 56.051 56.051 55.690 0.361 19391 51 1 . 1 1 10 10 CYS CB C 10 28.275 28.275 28.694 -0.419 19391 52 1 . 1 1 10 10 CYS H H 10 8.351 8.351 8.723 -0.372 19391 53 1 . 1 1 11 11 PRO HA H 11 4.644 4.644 4.371 0.273 19391 54 1 . 1 1 11 11 PRO C C 11 176.160 176.160 176.813 -0.653 19391 55 1 . 1 1 11 11 PRO CA C 11 64.764 64.764 64.461 0.303 19391 56 1 . 1 1 11 11 PRO CB C 11 32.205 32.205 31.948 0.257 19391 57 1 . 1 1 12 12 ALA N N 12 118.459 118.459 119.373 -0.914 19391 58 1 . 1 1 12 12 ALA HA H 12 4.264 4.264 4.227 0.037 19391 59 1 . 1 1 12 12 ALA C C 12 176.998 176.998 177.457 -0.459 19391 60 1 . 1 1 12 12 ALA CA C 12 53.174 53.174 52.754 0.420 19391 61 1 . 1 1 12 12 ALA CB C 12 20.196 20.196 19.137 1.058 19391 62 1 . 1 1 12 12 ALA H H 12 7.635 7.635 8.068 -0.433 19391 63 1 . 1 1 13 13 LEU N N 13 117.171 117.171 119.793 -2.622 19391 64 1 . 1 1 13 13 LEU HA H 13 4.315 4.315 4.397 -0.082 19391 65 1 . 1 1 13 13 LEU C C 13 173.277 173.277 174.700 -1.423 19391 66 1 . 1 1 13 13 LEU CA C 13 52.157 52.157 52.096 0.061 19391 67 1 . 1 1 13 13 LEU CB C 13 40.980 40.980 41.561 -0.581 19391 68 1 . 1 1 13 13 LEU H H 13 7.449 7.449 7.502 -0.053 19391 69 1 . 1 1 14 14 PRO HA H 14 4.434 4.434 4.378 0.056 19391 70 1 . 1 1 14 14 PRO C C 14 174.999 174.999 176.329 -1.330 19391 71 1 . 1 1 14 14 PRO CA C 14 62.698 62.698 62.675 0.023 19391 72 1 . 1 1 14 14 PRO CB C 14 31.811 31.811 32.281 -0.470 19391 73 1 . 1 1 15 15 GLN N N 15 120.091 120.091 121.623 -1.532 19391 74 1 . 1 1 15 15 GLN HA H 15 4.149 4.149 4.060 0.089 19391 75 1 . 1 1 15 15 GLN C C 15 177.099 177.099 176.978 0.121 19391 76 1 . 1 1 15 15 GLN CA C 15 58.333 58.333 57.718 0.615 19391 77 1 . 1 1 15 15 GLN CB C 15 28.856 28.856 28.335 0.521 19391 78 1 . 1 1 15 15 GLN H H 15 8.368 8.368 8.577 -0.209 19391 79 1 . 1 1 16 16 GLY N N 16 113.023 113.023 110.753 2.270 19391 80 1 . 1 1 16 16 GLY C C 16 174.735 174.735 174.232 0.503 19391 81 1 . 1 1 16 16 GLY CA C 16 45.293 45.293 44.620 0.673 19391 82 1 . 1 1 16 16 GLY H H 16 8.828 8.828 8.701 0.127 19391 83 1 . 1 1 17 17 TRP N N 17 121.152 121.152 122.516 -1.364 19391 84 1 . 1 1 17 17 TRP HA H 17 4.817 4.817 5.173 -0.356 19391 85 1 . 1 1 17 17 TRP C C 17 177.275 177.275 175.890 1.385 19391 86 1 . 1 1 17 17 TRP CA C 17 59.153 59.153 57.256 1.897 19391 87 1 . 1 1 17 17 TRP CB C 17 30.290 30.290 30.349 -0.059 19391 88 1 . 1 1 17 17 TRP H H 17 8.006 8.006 8.075 -0.069 19391 89 1 . 1 1 18 18 GLU N N 18 120.147 120.147 119.423 0.724 19391 90 1 . 1 1 18 18 GLU HA H 18 5.255 5.255 4.986 0.269 19391 91 1 . 1 1 18 18 GLU C C 18 174.373 174.373 174.847 -0.474 19391 92 1 . 1 1 18 18 GLU CA C 18 55.091 55.091 55.359 -0.268 19391 93 1 . 1 1 18 18 GLU CB C 18 35.375 35.375 34.736 0.638 19391 94 1 . 1 1 18 18 GLU H H 18 8.934 8.934 8.776 0.158 19391 95 1 . 1 1 19 19 ARG N N 19 122.215 122.215 120.889 1.326 19391 96 1 . 1 1 19 19 ARG HA H 19 5.006 5.006 4.967 0.039 19391 97 1 . 1 1 19 19 ARG C C 19 174.040 174.040 174.225 -0.185 19391 98 1 . 1 1 19 19 ARG CA C 19 54.366 54.366 54.406 -0.040 19391 99 1 . 1 1 19 19 ARG CB C 19 34.890 34.890 33.969 0.920 19391 100 1 . 1 1 19 19 ARG H H 19 9.300 9.300 8.580 0.720 19391 101 1 . 1 1 20 20 GLU N N 20 127.885 127.885 121.281 6.604 19391 102 1 . 1 1 20 20 GLU HA H 20 5.285 5.285 4.868 0.417 19391 103 1 . 1 1 20 20 GLU C C 20 173.582 173.582 174.329 -0.747 19391 104 1 . 1 1 20 20 GLU CA C 20 54.454 54.454 54.753 -0.299 19391 105 1 . 1 1 20 20 GLU CB C 20 36.572 36.572 34.026 2.546 19391 106 1 . 1 1 20 20 GLU H H 20 9.460 9.460 8.373 1.087 19391 107 1 . 1 1 21 21 GLU N N 21 123.590 123.590 124.063 -0.473 19391 108 1 . 1 1 21 21 GLU HA H 21 5.318 5.318 4.807 0.511 19391 109 1 . 1 1 21 21 GLU C C 21 176.091 176.091 175.040 1.051 19391 110 1 . 1 1 21 21 GLU CA C 21 54.458 54.458 55.303 -0.845 19391 111 1 . 1 1 21 21 GLU CB C 21 32.852 32.852 32.352 0.500 19391 112 1 . 1 1 21 21 GLU H H 21 8.580 8.580 8.254 0.326 19391 113 1 . 1 1 22 22 VAL N N 22 123.718 123.718 124.420 -0.702 19391 114 1 . 1 1 22 22 VAL HA H 22 4.768 4.768 4.593 0.175 19391 115 1 . 1 1 22 22 VAL C C 22 169.573 169.573 173.501 -3.928 19391 116 1 . 1 1 22 22 VAL CA C 22 58.989 58.989 58.771 0.218 19391 117 1 . 1 1 22 22 VAL CB C 22 35.259 35.259 34.479 0.780 19391 118 1 . 1 1 22 22 VAL H H 22 9.177 9.177 8.764 0.413 19391 119 1 . 1 1 23 23 PRO HA H 23 4.755 4.755 4.574 0.181 19391 120 1 . 1 1 23 23 PRO C C 23 176.679 176.679 176.333 0.346 19391 121 1 . 1 1 23 23 PRO CA C 23 62.464 62.464 62.529 -0.065 19391 122 1 . 1 1 23 23 PRO CB C 23 32.098 32.098 32.098 0.000 19391 123 1 . 1 1 24 24 ARG N N 24 123.629 123.629 123.135 0.494 19391 124 1 . 1 1 24 24 ARG HA H 24 4.488 4.488 4.409 0.079 19391 125 1 . 1 1 24 24 ARG C C 24 177.926 177.926 176.569 1.357 19391 126 1 . 1 1 24 24 ARG CA C 24 56.430 56.430 56.105 0.325 19391 127 1 . 1 1 24 24 ARG CB C 24 30.988 30.988 31.028 -0.040 19391 128 1 . 1 1 24 24 ARG H H 24 8.726 8.726 8.345 0.381 19391 129 1 . 1 1 25 25 ARG N N 25 124.327 124.327 121.844 2.483 19391 130 1 . 1 1 25 25 ARG HA H 25 4.343 4.343 4.451 -0.108 19391 131 1 . 1 1 25 25 ARG C C 25 176.213 176.213 175.760 0.453 19391 132 1 . 1 1 25 25 ARG CA C 25 57.470 57.470 56.302 1.169 19391 133 1 . 1 1 25 25 ARG CB C 25 31.208 31.208 30.879 0.329 19391 134 1 . 1 1 25 25 ARG H H 25 9.070 9.070 8.647 0.422 19391 135 1 . 1 1 26 26 SER N N 26 114.348 114.348 116.011 -1.663 19391 136 1 . 1 1 26 26 SER HA H 26 4.652 4.652 4.477 0.175 19391 137 1 . 1 1 26 26 SER C C 26 173.704 173.704 174.328 -0.624 19391 138 1 . 1 1 26 26 SER CA C 26 57.727 57.727 58.554 -0.826 19391 139 1 . 1 1 26 26 SER CB C 26 65.099 65.099 63.722 1.376 19391 140 1 . 1 1 26 26 SER H H 26 8.071 8.071 8.129 -0.058 19391 141 1 . 1 1 27 27 GLY N N 27 108.224 108.224 110.383 -2.159 19391 142 1 . 1 1 27 27 GLY C C 27 175.321 175.321 175.196 0.125 19391 143 1 . 1 1 27 27 GLY CA C 27 45.163 45.163 45.115 0.048 19391 144 1 . 1 1 27 27 GLY H H 27 8.433 8.433 8.103 0.330 19391 145 1 . 1 1 28 28 LEU N N 28 122.251 122.251 121.144 1.107 19391 146 1 . 1 1 28 28 LEU HA H 28 4.249 4.249 4.210 0.039 19391 147 1 . 1 1 28 28 LEU C C 28 178.691 178.691 177.695 0.996 19391 148 1 . 1 1 28 28 LEU CA C 28 56.793 56.793 56.637 0.156 19391 149 1 . 1 1 28 28 LEU CB C 28 42.183 42.183 42.138 0.046 19391 150 1 . 1 1 28 28 LEU H H 28 8.752 8.752 8.413 0.340 19391 151 1 . 1 1 29 29 SER N N 29 113.375 113.375 113.031 0.344 19391 152 1 . 1 1 29 29 SER HA H 29 4.440 4.440 4.290 0.150 19391 153 1 . 1 1 29 29 SER C C 29 173.707 173.707 174.128 -0.421 19391 154 1 . 1 1 29 29 SER CA C 29 57.782 57.782 57.924 -0.142 19391 155 1 . 1 1 29 29 SER CB C 29 63.353 63.353 62.734 0.619 19391 156 1 . 1 1 29 29 SER H H 29 8.397 8.397 8.044 0.353 19391 157 1 . 1 1 30 30 ALA N N 30 124.539 124.539 123.105 1.434 19391 158 1 . 1 1 30 30 ALA HA H 30 3.912 3.912 4.146 -0.234 19391 159 1 . 1 1 30 30 ALA C C 30 178.198 178.198 178.274 -0.076 19391 160 1 . 1 1 30 30 ALA CA C 30 53.576 53.576 53.358 0.218 19391 161 1 . 1 1 30 30 ALA CB C 30 18.422 18.422 18.990 -0.568 19391 162 1 . 1 1 30 30 ALA H H 30 7.623 7.623 7.331 0.292 19391 163 1 . 1 1 31 31 GLY N N 31 109.642 109.642 110.726 -1.084 19391 164 1 . 1 1 31 31 GLY C C 31 174.534 174.534 174.345 0.189 19391 165 1 . 1 1 31 31 GLY CA C 31 45.242 45.242 45.203 0.039 19391 166 1 . 1 1 31 31 GLY H H 31 8.713 8.713 8.658 0.055 19391 167 1 . 1 1 32 32 HIS N N 32 119.677 119.677 121.036 -1.359 19391 168 1 . 1 1 32 32 HIS HA H 32 4.564 4.564 4.655 -0.091 19391 169 1 . 1 1 32 32 HIS C C 32 174.544 174.544 174.272 0.272 19391 170 1 . 1 1 32 32 HIS CA C 32 56.416 56.416 55.835 0.581 19391 171 1 . 1 1 32 32 HIS CB C 32 29.586 29.586 30.778 -1.192 19391 172 1 . 1 1 32 32 HIS H H 32 8.304 8.304 7.825 0.479 19391 173 1 . 1 1 33 33 ARG N N 33 124.677 124.677 122.068 2.609 19391 174 1 . 1 1 33 33 ARG HA H 33 4.605 4.605 4.639 -0.034 19391 175 1 . 1 1 33 33 ARG C C 33 174.869 174.869 174.990 -0.121 19391 176 1 . 1 1 33 33 ARG CA C 33 55.762 55.762 55.246 0.517 19391 177 1 . 1 1 33 33 ARG CB C 33 31.200 31.200 31.963 -0.763 19391 178 1 . 1 1 33 33 ARG H H 33 8.731 8.731 8.527 0.204 19391 179 1 . 1 1 34 34 ASP N N 34 124.378 124.378 124.412 -0.035 19391 180 1 . 1 1 34 34 ASP HA H 34 4.876 4.876 4.843 0.033 19391 181 1 . 1 1 34 34 ASP C C 34 174.057 174.057 174.786 -0.729 19391 182 1 . 1 1 34 34 ASP CA C 34 54.045 54.045 53.157 0.888 19391 183 1 . 1 1 34 34 ASP CB C 34 43.852 43.852 43.230 0.622 19391 184 1 . 1 1 34 34 ASP H H 34 8.387 8.387 8.517 -0.130 19391 185 1 . 1 1 35 35 VAL N N 35 121.095 121.095 121.353 -0.258 19391 186 1 . 1 1 35 35 VAL HA H 35 4.750 4.750 4.503 0.247 19391 187 1 . 1 1 35 35 VAL C C 35 173.600 173.600 174.521 -0.921 19391 188 1 . 1 1 35 35 VAL CA C 35 61.357 61.357 61.065 0.292 19391 189 1 . 1 1 35 35 VAL CB C 35 34.078 34.078 33.074 1.004 19391 190 1 . 1 1 35 35 VAL H H 35 8.023 8.023 8.246 -0.223 19391 191 1 . 1 1 36 36 PHE N N 36 122.163 122.163 124.347 -2.184 19391 192 1 . 1 1 36 36 PHE HA H 36 5.598 5.598 4.720 0.878 19391 193 1 . 1 1 36 36 PHE C C 36 174.164 174.164 173.969 0.195 19391 194 1 . 1 1 36 36 PHE CA C 36 54.708 54.708 56.413 -1.705 19391 195 1 . 1 1 36 36 PHE CB C 36 43.978 43.978 42.380 1.598 19391 196 1 . 1 1 36 36 PHE H H 36 8.710 8.710 8.397 0.313 19391 197 1 . 1 1 37 37 TYR N N 37 116.406 116.406 118.379 -1.973 19391 198 1 . 1 1 37 37 TYR HA H 37 5.687 5.687 4.933 0.754 19391 199 1 . 1 1 37 37 TYR C C 37 174.694 174.694 174.187 0.507 19391 200 1 . 1 1 37 37 TYR CA C 37 56.864 56.864 56.055 0.809 19391 201 1 . 1 1 37 37 TYR CB C 37 43.477 43.477 41.060 2.417 19391 202 1 . 1 1 37 37 TYR H H 37 8.552 8.552 8.135 0.417 19391 203 1 . 1 1 38 38 TYR N N 38 118.594 118.594 119.704 -1.110 19391 204 1 . 1 1 38 38 TYR HA H 38 5.744 5.744 5.288 0.456 19391 205 1 . 1 1 38 38 TYR C C 38 175.481 175.481 175.483 -0.002 19391 206 1 . 1 1 38 38 TYR CA C 38 55.950 55.950 56.117 -0.167 19391 207 1 . 1 1 38 38 TYR CB C 38 42.287 42.287 41.743 0.544 19391 208 1 . 1 1 38 38 TYR H H 38 9.445 9.445 9.066 0.379 19391 209 1 . 1 1 39 39 SER N N 39 118.327 118.327 117.847 0.480 19391 210 1 . 1 1 39 39 SER HA H 39 2.098 2.098 4.012 -1.914 19391 211 1 . 1 1 39 39 SER C C 39 174.399 174.399 174.196 0.203 19391 212 1 . 1 1 39 39 SER CA C 39 55.375 55.375 54.845 0.530 19391 213 1 . 1 1 39 39 SER CB C 39 62.873 62.873 62.643 0.230 19391 214 1 . 1 1 39 39 SER H H 39 8.808 8.808 8.188 0.620 19391 215 1 . 1 1 41 41 SER HA H 41 4.452 4.452 4.426 0.026 19391 216 1 . 1 1 41 41 SER C C 41 174.963 174.963 175.459 -0.496 19391 217 1 . 1 1 41 41 SER CA C 41 57.861 57.861 58.129 -0.268 19391 218 1 . 1 1 41 41 SER CB C 41 63.763 63.763 63.427 0.336 19391 219 1 . 1 1 42 42 GLY N N 42 111.741 111.741 110.123 1.618 19391 220 1 . 1 1 42 42 GLY C C 42 173.938 173.938 173.895 0.043 19391 221 1 . 1 1 42 42 GLY CA C 42 45.429 45.429 45.355 0.073 19391 222 1 . 1 1 42 42 GLY H H 42 8.292 8.292 8.018 0.274 19391 223 1 . 1 1 43 43 LYS N N 43 122.381 122.381 121.641 0.740 19391 224 1 . 1 1 43 43 LYS HA H 43 4.091 4.091 4.266 -0.175 19391 225 1 . 1 1 43 43 LYS C C 43 174.049 174.049 175.884 -1.835 19391 226 1 . 1 1 43 43 LYS CA C 43 56.509 56.509 56.299 0.210 19391 227 1 . 1 1 43 43 LYS CB C 43 32.790 32.790 33.024 -0.234 19391 228 1 . 1 1 43 43 LYS H H 43 7.361 7.361 7.618 -0.257 19391 229 1 . 1 1 44 44 LYS N N 44 125.831 125.831 126.804 -0.973 19391 230 1 . 1 1 44 44 LYS HA H 44 4.494 4.494 4.842 -0.348 19391 231 1 . 1 1 44 44 LYS C C 44 175.970 175.970 175.894 0.076 19391 232 1 . 1 1 44 44 LYS CA C 44 55.709 55.709 55.497 0.212 19391 233 1 . 1 1 44 44 LYS CB C 44 35.640 35.640 33.184 2.456 19391 234 1 . 1 1 44 44 LYS H H 44 8.078 8.078 8.422 -0.344 19391 235 1 . 1 1 45 45 PHE N N 45 124.636 124.636 121.107 3.529 19391 236 1 . 1 1 45 45 PHE HA H 45 4.782 4.782 4.998 -0.216 19391 237 1 . 1 1 45 45 PHE C C 45 176.205 176.205 173.879 2.326 19391 238 1 . 1 1 45 45 PHE CA C 45 57.953 57.953 56.166 1.787 19391 239 1 . 1 1 45 45 PHE CB C 45 42.976 42.976 41.713 1.263 19391 240 1 . 1 1 45 45 PHE H H 45 9.707 9.707 7.909 1.798 19391 241 1 . 1 1 46 46 ARG N N 46 117.959 117.959 121.113 -3.154 19391 242 1 . 1 1 46 46 ARG HA H 46 5.400 5.400 4.801 0.599 19391 243 1 . 1 1 46 46 ARG C C 46 175.059 175.059 174.760 0.299 19391 244 1 . 1 1 46 46 ARG CA C 46 55.322 55.322 55.820 -0.498 19391 245 1 . 1 1 46 46 ARG CB C 46 33.383 33.383 30.568 2.815 19391 246 1 . 1 1 46 46 ARG H H 46 9.430 9.430 8.856 0.574 19391 247 1 . 1 1 47 47 SER N N 47 115.115 115.115 116.399 -1.284 19391 248 1 . 1 1 47 47 SER HA H 47 4.069 4.069 4.332 -0.263 19391 249 1 . 1 1 47 47 SER C C 47 172.762 172.762 174.201 -1.439 19391 250 1 . 1 1 47 47 SER CA C 47 56.797 56.797 57.480 -0.683 19391 251 1 . 1 1 47 47 SER CB C 47 66.892 66.892 65.645 1.247 19391 252 1 . 1 1 47 47 SER H H 47 7.926 7.926 8.002 -0.076 19391 253 1 . 1 1 48 48 LYS N N 48 122.914 122.914 125.398 -2.484 19391 254 1 . 1 1 48 48 LYS HA H 48 4.099 4.099 4.138 -0.039 19391 255 1 . 1 1 48 48 LYS CA C 48 61.570 61.570 60.107 1.463 19391 256 1 . 1 1 48 48 LYS CB C 48 30.250 30.250 30.668 -0.418 19391 257 1 . 1 1 48 48 LYS H H 48 8.994 8.994 8.491 0.503 19391 258 1 . 1 1 49 49 PRO HA H 49 4.384 4.384 4.210 0.174 19391 259 1 . 1 1 49 49 PRO C C 49 179.505 179.505 179.035 0.470 19391 260 1 . 1 1 49 49 PRO CA C 49 66.262 66.262 65.940 0.322 19391 261 1 . 1 1 49 49 PRO CB C 49 31.254 31.254 31.238 0.016 19391 262 1 . 1 1 50 50 GLN N N 50 116.141 116.141 117.198 -1.057 19391 263 1 . 1 1 50 50 GLN HA H 50 4.159 4.159 4.129 0.030 19391 264 1 . 1 1 50 50 GLN C C 50 179.539 179.539 178.444 1.095 19391 265 1 . 1 1 50 50 GLN CA C 50 59.213 59.213 58.875 0.338 19391 266 1 . 1 1 50 50 GLN CB C 50 29.365 29.365 28.211 1.154 19391 267 1 . 1 1 50 50 GLN H H 50 7.333 7.333 8.289 -0.956 19391 268 1 . 1 1 51 51 LEU N N 51 122.318 122.318 120.828 1.490 19391 269 1 . 1 1 51 51 LEU HA H 51 3.812 3.812 3.880 -0.068 19391 270 1 . 1 1 51 51 LEU C C 51 177.948 177.948 178.387 -0.439 19391 271 1 . 1 1 51 51 LEU CA C 51 58.144 58.144 57.744 0.400 19391 272 1 . 1 1 51 51 LEU CB C 51 43.451 43.451 41.529 1.922 19391 273 1 . 1 1 51 51 LEU H H 51 7.957 7.957 7.670 0.287 19391 274 1 . 1 1 52 52 ALA N N 52 120.627 120.627 121.450 -0.823 19391 275 1 . 1 1 52 52 ALA HA H 52 3.910 3.910 3.950 -0.040 19391 276 1 . 1 1 52 52 ALA C C 52 181.360 181.360 179.385 1.975 19391 277 1 . 1 1 52 52 ALA CA C 52 54.894 54.894 54.964 -0.070 19391 278 1 . 1 1 52 52 ALA CB C 52 18.186 18.186 18.473 -0.287 19391 279 1 . 1 1 52 52 ALA H H 52 9.134 9.134 8.146 0.988 19391 280 1 . 1 1 53 53 ARG N N 53 118.087 118.087 119.017 -0.930 19391 281 1 . 1 1 53 53 ARG HA H 53 4.110 4.110 3.955 0.155 19391 282 1 . 1 1 53 53 ARG C C 53 178.186 178.186 178.487 -0.301 19391 283 1 . 1 1 53 53 ARG CA C 53 59.296 59.296 59.068 0.228 19391 284 1 . 1 1 53 53 ARG CB C 53 30.555 30.555 30.177 0.378 19391 285 1 . 1 1 53 53 ARG H H 53 8.095 8.095 8.027 0.068 19391 286 1 . 1 1 54 54 TYR N N 54 119.692 119.692 119.207 0.485 19391 287 1 . 1 1 54 54 TYR HA H 54 4.377 4.377 4.247 0.131 19391 288 1 . 1 1 54 54 TYR C C 54 177.809 177.809 177.430 0.379 19391 289 1 . 1 1 54 54 TYR CA C 54 61.342 61.342 61.032 0.310 19391 290 1 . 1 1 54 54 TYR CB C 54 40.399 40.399 38.949 1.450 19391 291 1 . 1 1 54 54 TYR H H 54 7.584 7.584 7.858 -0.274 19391 292 1 . 1 1 55 55 LEU N N 55 117.313 117.313 116.433 0.880 19391 293 1 . 1 1 55 55 LEU HA H 55 4.155 4.155 4.347 -0.192 19391 294 1 . 1 1 55 55 LEU C C 55 178.784 178.784 177.794 0.990 19391 295 1 . 1 1 55 55 LEU CA C 55 55.788 55.788 54.913 0.875 19391 296 1 . 1 1 55 55 LEU CB C 55 42.783 42.783 41.578 1.205 19391 297 1 . 1 1 55 55 LEU H H 55 8.279 8.279 7.992 0.287 19391 298 1 . 1 1 56 56 GLY N N 56 108.526 108.526 107.732 0.794 19391 299 1 . 1 1 56 56 GLY C C 56 174.749 174.749 175.329 -0.580 19391 300 1 . 1 1 56 56 GLY CA C 56 46.751 46.751 46.431 0.320 19391 301 1 . 1 1 56 56 GLY H H 56 7.911 7.911 8.085 -0.174 19391 302 1 . 1 1 57 57 GLY N N 57 109.514 109.514 109.547 -0.033 19391 303 1 . 1 1 57 57 GLY C C 57 175.034 175.034 175.209 -0.175 19391 304 1 . 1 1 57 57 GLY CA C 57 45.648 45.648 45.670 -0.022 19391 305 1 . 1 1 57 57 GLY H H 57 8.644 8.644 8.286 0.358 19391 306 1 . 1 1 58 58 SER N N 58 114.666 114.666 116.202 -1.536 19391 307 1 . 1 1 58 58 SER HA H 58 4.355 4.355 4.385 -0.030 19391 308 1 . 1 1 58 58 SER C C 58 173.748 173.748 174.505 -0.757 19391 309 1 . 1 1 58 58 SER CA C 58 60.013 60.013 59.597 0.416 19391 310 1 . 1 1 58 58 SER CB C 58 64.173 64.173 64.090 0.083 19391 311 1 . 1 1 58 58 SER H H 58 8.058 8.058 8.114 -0.056 19391 312 1 . 1 1 59 59 MET N N 59 118.467 118.467 118.757 -0.290 19391 313 1 . 1 1 59 59 MET HA H 59 4.475 4.475 4.537 -0.062 19391 314 1 . 1 1 59 59 MET C C 59 172.909 172.909 173.557 -0.648 19391 315 1 . 1 1 59 59 MET CA C 59 56.185 56.185 55.284 0.901 19391 316 1 . 1 1 59 59 MET CB C 59 35.552 35.552 35.588 -0.036 19391 317 1 . 1 1 59 59 MET H H 59 7.442 7.442 7.735 -0.293 19391 318 1 . 1 1 60 60 ASP N N 60 121.779 121.779 122.651 -0.872 19391 319 1 . 1 1 60 60 ASP HA H 60 4.694 4.694 4.750 -0.056 19391 320 1 . 1 1 60 60 ASP C C 60 176.867 176.867 175.815 1.052 19391 321 1 . 1 1 60 60 ASP CA C 60 53.281 53.281 53.792 -0.511 19391 322 1 . 1 1 60 60 ASP CB C 60 40.980 40.980 40.662 0.318 19391 323 1 . 1 1 60 60 ASP H H 60 8.401 8.401 8.517 -0.116 19391 324 1 . 1 1 61 61 LEU N N 61 126.474 126.474 125.597 0.877 19391 325 1 . 1 1 61 61 LEU HA H 61 4.394 4.394 4.558 -0.164 19391 326 1 . 1 1 61 61 LEU C C 61 178.536 178.536 177.923 0.613 19391 327 1 . 1 1 61 61 LEU CA C 61 54.039 54.039 54.574 -0.535 19391 328 1 . 1 1 61 61 LEU CB C 61 41.613 41.613 42.026 -0.413 19391 329 1 . 1 1 61 61 LEU H H 61 9.015 9.015 8.470 0.545 19391 330 1 . 1 1 62 62 SER N N 62 120.014 120.014 116.822 3.192 19391 331 1 . 1 1 62 62 SER HA H 62 4.125 4.125 4.230 -0.105 19391 332 1 . 1 1 62 62 SER C C 62 176.669 176.669 175.461 1.208 19391 333 1 . 1 1 62 62 SER CA C 62 63.345 63.345 61.351 1.994 19391 334 1 . 1 1 62 62 SER CB C 62 62.553 62.553 63.039 -0.486 19391 335 1 . 1 1 62 62 SER H H 62 8.871 8.871 8.470 0.401 19391 336 1 . 1 1 63 63 THR N N 63 110.495 110.495 112.489 -1.994 19391 337 1 . 1 1 63 63 THR HA H 63 4.510 4.510 4.422 0.088 19391 338 1 . 1 1 63 63 THR C C 63 173.862 173.862 173.602 0.260 19391 339 1 . 1 1 63 63 THR CA C 63 61.006 61.006 61.441 -0.435 19391 340 1 . 1 1 63 63 THR CB C 63 67.976 67.976 68.645 -0.669 19391 341 1 . 1 1 63 63 THR H H 63 8.363 8.363 7.845 0.518 19391 342 1 . 1 1 64 64 PHE N N 64 123.605 123.605 124.197 -0.592 19391 343 1 . 1 1 64 64 PHE HA H 64 4.616 4.616 4.707 -0.091 19391 344 1 . 1 1 64 64 PHE C C 64 173.716 173.716 173.572 0.144 19391 345 1 . 1 1 64 64 PHE CA C 64 58.017 58.017 56.837 1.180 19391 346 1 . 1 1 64 64 PHE CB C 64 40.944 40.944 41.386 -0.442 19391 347 1 . 1 1 64 64 PHE H H 64 7.472 7.472 8.175 -0.703 19391 348 1 . 1 1 65 65 ASP N N 65 129.564 129.564 128.019 1.545 19391 349 1 . 1 1 65 65 ASP HA H 65 4.527 4.527 4.480 0.047 19391 350 1 . 1 1 65 65 ASP C C 65 173.973 173.973 175.186 -1.213 19391 351 1 . 1 1 65 65 ASP CA C 65 52.813 52.813 52.943 -0.130 19391 352 1 . 1 1 65 65 ASP CB C 65 41.948 41.948 41.331 0.617 19391 353 1 . 1 1 65 65 ASP H H 65 8.574 8.574 8.450 0.124 19391 354 1 . 1 1 66 66 PHE N N 66 128.221 128.221 127.206 1.015 19391 355 1 . 1 1 66 66 PHE HA H 66 3.657 3.657 4.253 -0.596 19391 356 1 . 1 1 66 66 PHE C C 66 177.535 177.535 176.572 0.963 19391 357 1 . 1 1 66 66 PHE CA C 66 61.746 61.746 60.958 0.787 19391 358 1 . 1 1 66 66 PHE CB C 66 41.242 41.242 39.874 1.368 19391 359 1 . 1 1 66 66 PHE H H 66 8.886 8.886 8.298 0.588 19391 360 1 . 1 1 67 67 ARG N N 67 116.246 116.246 117.265 -1.019 19391 361 1 . 1 1 67 67 ARG HA H 67 4.761 4.761 4.019 0.742 19391 362 1 . 1 1 67 67 ARG C C 67 178.024 178.024 177.563 0.461 19391 363 1 . 1 1 67 67 ARG CA C 67 59.661 59.661 58.732 0.929 19391 364 1 . 1 1 67 67 ARG CB C 67 29.729 29.729 29.743 -0.014 19391 365 1 . 1 1 67 67 ARG H H 67 8.804 8.804 8.373 0.431 19391 366 1 . 1 1 68 68 THR N N 68 105.409 105.409 107.199 -1.790 19391 367 1 . 1 1 68 68 THR HA H 68 4.199 4.199 4.293 -0.094 19391 368 1 . 1 1 68 68 THR C C 68 176.417 176.417 175.032 1.385 19391 369 1 . 1 1 68 68 THR CA C 68 62.233 62.233 61.884 0.349 19391 370 1 . 1 1 68 68 THR CB C 68 71.221 71.221 69.778 1.443 19391 371 1 . 1 1 68 68 THR H H 68 7.407 7.407 7.937 -0.530 19391 372 1 . 1 1 69 69 GLY N N 69 113.199 113.199 111.200 1.999 19391 373 1 . 1 1 69 69 GLY CA C 69 47.214 47.214 45.815 1.399 19391 374 1 . 1 1 69 69 GLY H H 69 8.344 8.344 7.861 0.483 19391 375 1 . 1 1 70 70 LYS N N 70 116.533 116.533 117.733 -1.200 19391 376 1 . 1 1 70 70 LYS HA H 70 4.398 4.398 4.719 -0.321 19391 377 1 . 1 1 70 70 LYS C C 70 175.022 175.022 174.839 0.183 19391 378 1 . 1 1 70 70 LYS CA C 70 54.613 54.613 53.877 0.736 19391 379 1 . 1 1 70 70 LYS CB C 70 35.075 35.075 36.036 -0.961 19391 380 1 . 1 1 70 70 LYS H H 70 6.887 6.887 7.188 -0.301 19391 381 1 . 1 1 71 71 MET N N 71 119.590 119.590 122.951 -3.361 19391 382 1 . 1 1 71 71 MET HA H 71 4.770 4.770 4.719 0.051 19391 383 1 . 1 1 71 71 MET C C 71 175.810 175.810 175.372 0.438 19391 384 1 . 1 1 71 71 MET CA C 71 54.296 54.296 55.650 -1.354 19391 385 1 . 1 1 71 71 MET CB C 71 32.118 32.118 33.364 -1.246 19391 386 1 . 1 1 71 71 MET H H 71 8.423 8.423 8.711 -0.288 19391 stop_ save_