data_18227 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18227 _Entry.PDB_ID 2LOW 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 18227 _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 GLU N N 2 122.322 122.322 122.551 -0.229 18227 2 1 1 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.389 0.289 18227 3 1 1 . 1 1 2 2 GLU C C 2 175.160 175.160 174.959 0.201 18227 4 1 1 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.414 -0.321 18227 5 1 1 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.106 -0.931 18227 6 1 1 . 1 1 2 2 GLU H H 2 8.641 8.641 8.201 0.440 18227 7 1 1 . 1 1 3 3 GLU N N 3 121.391 121.391 121.496 -0.105 18227 8 1 1 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.065 0.565 18227 9 1 1 . 1 1 3 3 GLU C C 3 176.097 176.097 176.239 -0.142 18227 10 1 1 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.487 -0.400 18227 11 1 1 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.987 -0.803 18227 12 1 1 . 1 1 3 3 GLU H H 3 8.448 8.448 8.324 0.124 18227 13 1 1 . 1 1 4 4 GLY N N 4 109.002 109.002 107.400 1.602 18227 14 1 1 . 1 1 4 4 GLY C C 4 174.407 174.407 175.274 -0.867 18227 15 1 1 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.305 1.140 18227 16 1 1 . 1 1 4 4 GLY H H 4 8.333 8.333 8.315 0.018 18227 17 1 1 . 1 1 5 5 GLY N N 5 107.419 107.419 111.523 -4.104 18227 18 1 1 . 1 1 5 5 GLY C C 5 173.914 173.914 173.624 0.290 18227 19 1 1 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.568 -0.078 18227 20 1 1 . 1 1 5 5 GLY H H 5 8.120 8.120 8.646 -0.526 18227 21 1 1 . 1 1 6 6 ASP N N 6 117.918 117.918 121.115 -3.197 18227 22 1 1 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.660 0.246 18227 23 1 1 . 1 1 6 6 ASP C C 6 175.114 175.114 174.961 0.153 18227 24 1 1 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.641 -1.522 18227 25 1 1 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.499 -3.540 18227 26 1 1 . 1 1 6 6 ASP H H 6 8.204 8.204 8.233 -0.029 18227 27 1 1 . 1 1 7 7 PHE N N 7 119.801 119.801 120.744 -0.943 18227 28 1 1 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.753 -0.043 18227 29 1 1 . 1 1 7 7 PHE C C 7 175.789 175.789 175.875 -0.086 18227 30 1 1 . 1 1 7 7 PHE CA C 7 58.676 58.676 56.961 1.715 18227 31 1 1 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.087 -0.917 18227 32 1 1 . 1 1 7 7 PHE H H 7 8.072 8.072 8.371 -0.299 18227 33 1 1 . 1 1 8 8 ASP N N 8 117.963 117.963 125.491 -7.528 18227 34 1 1 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.513 0.264 18227 35 1 1 . 1 1 8 8 ASP C C 8 174.919 174.919 176.466 -1.547 18227 36 1 1 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.706 -1.125 18227 37 1 1 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.512 -3.789 18227 38 1 1 . 1 1 8 8 ASP H H 8 8.184 8.184 9.025 -0.841 18227 39 1 1 . 1 1 9 9 ASN N N 9 117.736 117.736 116.837 0.899 18227 40 1 1 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.301 0.489 18227 41 1 1 . 1 1 9 9 ASN C C 9 174.974 174.974 174.500 0.474 18227 42 1 1 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.995 -0.259 18227 43 1 1 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.684 0.886 18227 44 1 1 . 1 1 9 9 ASN H H 9 8.080 8.080 8.000 0.080 18227 45 1 1 . 1 1 10 10 TYR N N 10 119.580 119.580 117.648 1.932 18227 46 1 1 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.150 0.476 18227 47 1 1 . 1 1 10 10 TYR C C 10 175.935 175.935 174.632 1.303 18227 48 1 1 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.815 -0.036 18227 49 1 1 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.706 0.808 18227 50 1 1 . 1 1 10 10 TYR H H 10 7.869 7.869 8.511 -0.642 18227 51 1 1 . 1 1 11 11 TYR N N 11 120.254 120.254 123.047 -2.793 18227 52 1 1 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.886 0.733 18227 53 1 1 . 1 1 11 11 TYR C C 11 176.666 176.666 175.097 1.569 18227 54 1 1 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.325 0.531 18227 55 1 1 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.032 1.456 18227 56 1 1 . 1 1 11 11 TYR H H 11 7.906 7.906 8.805 -0.899 18227 57 1 1 . 1 1 12 12 GLY N N 12 108.226 108.226 104.585 3.641 18227 58 1 1 . 1 1 12 12 GLY C C 12 174.314 174.314 173.697 0.617 18227 59 1 1 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.004 0.776 18227 60 1 1 . 1 1 12 12 GLY H H 12 7.817 7.817 7.775 0.042 18227 61 1 1 . 1 1 13 13 ALA N N 13 122.970 122.970 121.943 1.027 18227 62 1 1 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.500 -0.030 18227 63 1 1 . 1 1 13 13 ALA C C 13 178.137 178.137 177.923 0.214 18227 64 1 1 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.803 -0.353 18227 65 1 1 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.552 -0.869 18227 66 1 1 . 1 1 13 13 ALA H H 13 7.913 7.913 7.925 -0.012 18227 67 1 1 . 1 1 14 14 ASP N N 14 116.374 116.374 117.669 -1.295 18227 68 1 1 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.596 0.279 18227 69 1 1 . 1 1 14 14 ASP C C 14 175.450 175.450 176.960 -1.510 18227 70 1 1 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.905 -1.265 18227 71 1 1 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.349 -3.487 18227 72 1 1 . 1 1 14 14 ASP H H 14 8.348 8.348 8.335 0.013 18227 73 1 1 . 1 1 15 15 ASN N N 15 118.423 118.423 118.753 -0.330 18227 74 1 1 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.481 0.389 18227 75 1 1 . 1 1 15 15 ASN C C 15 176.054 176.054 175.911 0.143 18227 76 1 1 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.500 -1.072 18227 77 1 1 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.274 0.408 18227 78 1 1 . 1 1 15 15 ASN H H 15 8.272 8.272 8.401 -0.129 18227 79 1 1 . 1 1 16 16 GLN N N 16 120.129 120.129 112.642 7.487 18227 80 1 1 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.160 0.256 18227 81 1 1 . 1 1 16 16 GLN C C 16 177.337 177.337 177.143 0.194 18227 82 1 1 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.747 0.509 18227 83 1 1 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.729 0.055 18227 84 1 1 . 1 1 16 16 GLN H H 16 8.481 8.481 8.031 0.450 18227 85 1 1 . 1 1 17 17 SER N N 17 115.051 115.051 116.946 -1.895 18227 86 1 1 . 1 1 17 17 SER HA H 17 4.505 4.505 4.325 0.180 18227 87 1 1 . 1 1 17 17 SER C C 17 175.596 175.596 176.127 -0.531 18227 88 1 1 . 1 1 17 17 SER CA C 17 60.767 60.767 60.715 0.052 18227 89 1 1 . 1 1 17 17 SER CB C 17 63.325 63.325 63.367 -0.042 18227 90 1 1 . 1 1 17 17 SER H H 17 8.380 8.380 8.180 0.200 18227 91 1 1 . 1 1 18 18 GLU N N 18 120.901 120.901 121.093 -0.192 18227 92 1 1 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.091 0.368 18227 93 1 1 . 1 1 18 18 GLU C C 18 177.867 177.867 178.047 -0.180 18227 94 1 1 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.298 -1.075 18227 95 1 1 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.728 -0.663 18227 96 1 1 . 1 1 18 18 GLU H H 18 8.233 8.233 8.444 -0.211 18227 97 1 1 . 1 1 19 19 CYS N N 19 118.899 118.899 115.823 3.076 18227 98 1 1 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.465 0.011 18227 99 1 1 . 1 1 19 19 CYS C C 19 175.896 175.896 175.939 -0.043 18227 100 1 1 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.093 0.169 18227 101 1 1 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.750 -1.691 18227 102 1 1 . 1 1 19 19 CYS H H 19 8.245 8.245 7.544 0.701 18227 103 1 1 . 1 1 20 20 GLU N N 20 120.324 120.324 120.387 -0.063 18227 104 1 1 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.244 0.083 18227 105 1 1 . 1 1 20 20 GLU C C 20 177.163 177.163 177.773 -0.610 18227 106 1 1 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.937 0.435 18227 107 1 1 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.711 -1.667 18227 108 1 1 . 1 1 20 20 GLU H H 20 8.299 8.299 7.999 0.300 18227 109 1 1 . 1 1 21 21 TYR N N 21 118.601 118.601 121.128 -2.527 18227 110 1 1 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.333 0.272 18227 111 1 1 . 1 1 21 21 TYR C C 21 177.166 177.166 177.230 -0.064 18227 112 1 1 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.610 -2.204 18227 113 1 1 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.525 -0.047 18227 114 1 1 . 1 1 21 21 TYR H H 21 8.165 8.165 8.888 -0.723 18227 115 1 1 . 1 1 22 22 THR N N 22 112.362 112.362 108.566 3.796 18227 116 1 1 . 1 1 22 22 THR HA H 22 4.203 4.203 4.039 0.164 18227 117 1 1 . 1 1 22 22 THR C C 22 176.226 176.226 175.057 1.169 18227 118 1 1 . 1 1 22 22 THR CA C 22 64.825 64.825 64.621 0.204 18227 119 1 1 . 1 1 22 22 THR CB C 22 69.471 69.471 68.379 1.091 18227 120 1 1 . 1 1 22 22 THR H H 22 8.063 8.063 8.160 -0.097 18227 121 1 1 . 1 1 23 23 ASP N N 23 121.414 121.414 122.536 -1.122 18227 122 1 1 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.666 0.077 18227 123 1 1 . 1 1 23 23 ASP C C 23 176.664 176.664 177.188 -0.524 18227 124 1 1 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.129 -1.970 18227 125 1 1 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.425 -3.950 18227 126 1 1 . 1 1 23 23 ASP H H 23 8.355 8.355 8.125 0.230 18227 127 1 1 . 1 1 24 24 TRP N N 24 121.858 121.858 122.514 -0.656 18227 128 1 1 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.074 0.566 18227 129 1 1 . 1 1 24 24 TRP C C 24 178.311 178.311 177.625 0.686 18227 130 1 1 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.011 -1.367 18227 131 1 1 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.452 -0.709 18227 132 1 1 . 1 1 24 24 TRP H H 24 8.363 8.363 8.683 -0.320 18227 133 1 1 . 1 1 25 25 LYS N N 25 120.099 120.099 117.310 2.789 18227 134 1 1 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.440 1.636 18227 135 1 1 . 1 1 25 25 LYS C C 25 177.946 177.946 177.669 0.277 18227 136 1 1 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.841 0.293 18227 137 1 1 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.561 0.709 18227 138 1 1 . 1 1 25 25 LYS H H 25 8.291 8.291 7.325 0.966 18227 139 1 1 . 1 1 26 26 SER N N 26 113.558 113.558 113.331 0.227 18227 140 1 1 . 1 1 26 26 SER HA H 26 4.541 4.541 4.316 0.225 18227 141 1 1 . 1 1 26 26 SER C C 26 175.212 175.212 175.818 -0.606 18227 142 1 1 . 1 1 26 26 SER CA C 26 59.813 59.813 60.635 -0.822 18227 143 1 1 . 1 1 26 26 SER CB C 26 63.672 63.672 64.533 -0.861 18227 144 1 1 . 1 1 26 26 SER H H 26 8.088 8.088 7.859 0.229 18227 145 1 1 . 1 1 27 27 SER N N 27 116.456 116.456 115.977 0.479 18227 146 1 1 . 1 1 27 27 SER HA H 27 4.534 4.534 4.455 0.079 18227 147 1 1 . 1 1 27 27 SER C C 27 175.216 175.216 174.928 0.288 18227 148 1 1 . 1 1 27 27 SER CA C 27 60.042 60.042 59.510 0.532 18227 149 1 1 . 1 1 27 27 SER CB C 27 63.782 63.782 63.179 0.603 18227 150 1 1 . 1 1 27 27 SER H H 27 8.025 8.025 8.452 -0.427 18227 151 1 1 . 1 1 28 28 GLY N N 28 108.769 108.769 108.446 0.323 18227 152 1 1 . 1 1 28 28 GLY C C 28 174.198 174.198 172.510 1.688 18227 153 1 1 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.715 1.160 18227 154 1 1 . 1 1 28 28 GLY H H 28 8.051 8.051 7.858 0.193 18227 155 1 1 . 1 1 29 29 ALA N N 29 121.719 121.719 121.707 0.012 18227 156 1 1 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.482 -0.071 18227 157 1 1 . 1 1 29 29 ALA C C 29 177.554 177.554 177.022 0.532 18227 158 1 1 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.327 -0.242 18227 159 1 1 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.494 -0.720 18227 160 1 1 . 1 1 29 29 ALA H H 29 7.749 7.749 7.731 0.018 18227 161 1 1 . 1 1 30 30 LEU N N 30 118.220 118.220 113.047 5.173 18227 162 1 1 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.545 0.001 18227 163 1 1 . 1 1 30 30 LEU C C 30 176.978 176.978 177.559 -0.581 18227 164 1 1 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.754 -0.087 18227 165 1 1 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.705 0.051 18227 166 1 1 . 1 1 30 30 LEU H H 30 7.660 7.660 7.703 -0.043 18227 167 1 1 . 1 1 31 31 ILE N N 31 118.934 118.934 120.545 -1.611 18227 168 1 1 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.367 0.018 18227 169 1 1 . 1 1 31 31 ILE C C 31 175.025 175.025 175.169 -0.144 18227 170 1 1 . 1 1 31 31 ILE CA C 31 62.676 62.676 62.129 0.547 18227 171 1 1 . 1 1 31 31 ILE CB C 31 37.571 37.571 34.816 2.755 18227 172 1 1 . 1 1 31 31 ILE H H 31 7.446 7.446 8.159 -0.713 18227 173 1 1 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.305 0.174 18227 174 1 1 . 1 1 32 32 PRO C C 32 177.601 177.601 178.506 -0.905 18227 175 1 1 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.757 -0.437 18227 176 1 1 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.712 0.523 18227 177 1 1 . 1 1 33 33 ALA N N 33 118.822 118.822 121.656 -2.834 18227 178 1 1 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.141 0.226 18227 179 1 1 . 1 1 33 33 ALA C C 33 179.269 179.269 179.830 -0.561 18227 180 1 1 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.952 -0.135 18227 181 1 1 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.324 -0.432 18227 182 1 1 . 1 1 33 33 ALA H H 33 7.293 7.293 8.202 -0.909 18227 183 1 1 . 1 1 34 34 ILE N N 34 116.953 116.953 119.260 -2.307 18227 184 1 1 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.639 0.451 18227 185 1 1 . 1 1 34 34 ILE C C 34 177.061 177.061 178.268 -1.207 18227 186 1 1 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.921 -0.936 18227 187 1 1 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.133 0.986 18227 188 1 1 . 1 1 34 34 ILE H H 34 7.766 7.766 7.959 -0.193 18227 189 1 1 . 1 1 35 35 TYR N N 35 118.432 118.432 118.801 -0.369 18227 190 1 1 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.012 0.356 18227 191 1 1 . 1 1 35 35 TYR C C 35 178.052 178.052 178.673 -0.621 18227 192 1 1 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.421 -1.299 18227 193 1 1 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.242 -0.306 18227 194 1 1 . 1 1 35 35 TYR H H 35 7.988 7.988 7.857 0.131 18227 195 1 1 . 1 1 36 36 MET N N 36 117.042 117.042 117.576 -0.534 18227 196 1 1 . 1 1 36 36 MET HA H 36 4.534 4.534 4.201 0.333 18227 197 1 1 . 1 1 36 36 MET C C 36 177.734 177.734 178.813 -1.079 18227 198 1 1 . 1 1 36 36 MET CA C 36 58.272 58.272 57.850 0.422 18227 199 1 1 . 1 1 36 36 MET CB C 36 31.979 31.979 32.027 -0.048 18227 200 1 1 . 1 1 36 36 MET H H 36 7.934 7.934 8.437 -0.503 18227 201 1 1 . 1 1 37 37 LEU N N 37 120.539 120.539 120.120 0.419 18227 202 1 1 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.055 0.288 18227 203 1 1 . 1 1 37 37 LEU C C 37 178.746 178.746 178.610 0.136 18227 204 1 1 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.092 0.620 18227 205 1 1 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.060 -0.022 18227 206 1 1 . 1 1 37 37 LEU H H 37 8.013 8.013 8.192 -0.179 18227 207 1 1 . 1 1 38 38 VAL N N 38 117.729 117.729 117.341 0.388 18227 208 1 1 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.862 -0.085 18227 209 1 1 . 1 1 38 38 VAL C C 38 179.009 179.009 177.158 1.851 18227 210 1 1 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.931 2.268 18227 211 1 1 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.428 -0.763 18227 212 1 1 . 1 1 38 38 VAL H H 38 8.360 8.360 7.963 0.397 18227 213 1 1 . 1 1 39 39 PHE N N 39 120.549 120.549 123.272 -2.723 18227 214 1 1 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.478 -0.053 18227 215 1 1 . 1 1 39 39 PHE C C 39 179.129 179.129 176.731 2.398 18227 216 1 1 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.452 0.070 18227 217 1 1 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.522 -1.419 18227 218 1 1 . 1 1 39 39 PHE H H 39 8.225 8.225 8.337 -0.112 18227 219 1 1 . 1 1 40 40 LEU N N 40 122.778 122.778 115.608 7.170 18227 220 1 1 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.452 -0.285 18227 221 1 1 . 1 1 40 40 LEU C C 40 180.673 180.673 176.868 3.805 18227 222 1 1 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.098 1.540 18227 223 1 1 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.069 1.095 18227 224 1 1 . 1 1 40 40 LEU H H 40 8.874 8.874 8.291 0.583 18227 225 1 1 . 1 1 41 41 LEU N N 41 122.144 122.144 119.307 2.837 18227 226 1 1 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.489 -0.253 18227 227 1 1 . 1 1 41 41 LEU C C 41 180.709 180.709 178.326 2.383 18227 228 1 1 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.442 2.028 18227 229 1 1 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.113 -1.335 18227 230 1 1 . 1 1 41 41 LEU H H 41 9.193 9.193 7.570 1.623 18227 231 1 1 . 1 1 42 42 GLY N N 42 107.124 107.124 104.223 2.901 18227 232 1 1 . 1 1 42 42 GLY C C 42 176.537 176.537 174.403 2.134 18227 233 1 1 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.715 1.018 18227 234 1 1 . 1 1 42 42 GLY H H 42 8.755 8.755 7.809 0.946 18227 235 1 1 . 1 1 43 43 THR N N 43 113.411 113.411 114.773 -1.362 18227 236 1 1 . 1 1 43 43 THR HA H 43 4.299 4.299 4.486 -0.187 18227 237 1 1 . 1 1 43 43 THR C C 43 176.797 176.797 173.943 2.854 18227 238 1 1 . 1 1 43 43 THR CA C 43 64.990 64.990 60.749 4.241 18227 239 1 1 . 1 1 43 43 THR CB C 43 69.731 69.731 68.835 0.896 18227 240 1 1 . 1 1 43 43 THR H H 43 8.179 8.179 7.571 0.608 18227 241 1 1 . 1 1 44 44 THR N N 44 114.667 114.667 116.361 -1.694 18227 242 1 1 . 1 1 44 44 THR HA H 44 4.366 4.366 4.515 -0.149 18227 243 1 1 . 1 1 44 44 THR C C 44 176.375 176.375 175.206 1.169 18227 244 1 1 . 1 1 44 44 THR CA C 44 64.833 64.833 64.507 0.326 18227 245 1 1 . 1 1 44 44 THR CB C 44 69.988 69.988 70.819 -0.831 18227 246 1 1 . 1 1 44 44 THR H H 44 8.026 8.026 7.765 0.261 18227 247 1 1 . 1 1 45 45 GLY N N 45 109.336 109.336 109.548 -0.212 18227 248 1 1 . 1 1 45 45 GLY C C 45 174.924 174.924 174.789 0.135 18227 249 1 1 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.306 1.421 18227 250 1 1 . 1 1 45 45 GLY H H 45 8.261 8.261 8.234 0.027 18227 251 1 1 . 1 1 46 46 ASN N N 46 117.547 117.547 119.269 -1.722 18227 252 1 1 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.513 0.226 18227 253 1 1 . 1 1 46 46 ASN C C 46 176.815 176.815 177.166 -0.351 18227 254 1 1 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.317 0.033 18227 255 1 1 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.784 0.709 18227 256 1 1 . 1 1 46 46 ASN H H 46 8.083 8.083 7.919 0.164 18227 257 1 1 . 1 1 47 47 GLY N N 47 106.960 106.960 108.612 -1.652 18227 258 1 1 . 1 1 47 47 GLY C C 47 175.001 175.001 176.044 -1.043 18227 259 1 1 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.795 0.192 18227 260 1 1 . 1 1 47 47 GLY H H 47 8.318 8.318 8.366 -0.048 18227 261 1 1 . 1 1 48 48 LEU N N 48 120.991 120.991 121.981 -0.990 18227 262 1 1 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.094 0.395 18227 263 1 1 . 1 1 48 48 LEU C C 48 180.375 180.375 178.648 1.727 18227 264 1 1 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.522 0.726 18227 265 1 1 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.952 0.095 18227 266 1 1 . 1 1 48 48 LEU H H 48 7.999 7.999 7.601 0.398 18227 267 1 1 . 1 1 49 49 VAL N N 49 121.040 121.040 119.236 1.804 18227 268 1 1 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.661 0.172 18227 269 1 1 . 1 1 49 49 VAL C C 49 178.016 178.016 178.053 -0.037 18227 270 1 1 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.030 0.187 18227 271 1 1 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.355 0.585 18227 272 1 1 . 1 1 49 49 VAL H H 49 7.989 7.989 7.502 0.487 18227 273 1 1 . 1 1 50 50 LEU N N 50 119.986 119.986 118.809 1.177 18227 274 1 1 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.929 0.268 18227 275 1 1 . 1 1 50 50 LEU C C 50 178.823 178.823 179.389 -0.566 18227 276 1 1 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.748 0.942 18227 277 1 1 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.015 0.650 18227 278 1 1 . 1 1 50 50 LEU H H 50 7.926 7.926 8.154 -0.228 18227 279 1 1 . 1 1 51 51 TRP N N 51 117.842 117.842 121.236 -3.394 18227 280 1 1 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.324 0.363 18227 281 1 1 . 1 1 51 51 TRP C C 51 178.729 178.729 177.636 1.093 18227 282 1 1 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.950 -0.570 18227 283 1 1 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.681 -0.140 18227 284 1 1 . 1 1 51 51 TRP H H 51 8.525 8.525 8.196 0.329 18227 285 1 1 . 1 1 52 52 THR N N 52 114.722 114.722 115.998 -1.276 18227 286 1 1 . 1 1 52 52 THR HA H 52 4.007 4.007 3.628 0.379 18227 287 1 1 . 1 1 52 52 THR C C 52 176.228 176.228 177.047 -0.819 18227 288 1 1 . 1 1 52 52 THR CA C 52 67.517 67.517 66.873 0.644 18227 289 1 1 . 1 1 52 52 THR CB C 52 69.051 69.051 68.816 0.235 18227 290 1 1 . 1 1 52 52 THR H H 52 8.248 8.248 8.517 -0.269 18227 291 1 1 . 1 1 53 53 VAL N N 53 123.008 123.008 122.237 0.771 18227 292 1 1 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.613 0.135 18227 293 1 1 . 1 1 53 53 VAL C C 53 178.474 178.474 177.071 1.403 18227 294 1 1 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.977 0.478 18227 295 1 1 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.850 -0.010 18227 296 1 1 . 1 1 53 53 VAL H H 53 8.634 8.634 8.774 -0.140 18227 297 1 1 . 1 1 54 54 PHE N N 54 119.554 119.554 117.508 2.046 18227 298 1 1 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.159 0.251 18227 299 1 1 . 1 1 54 54 PHE C C 54 179.173 179.173 177.139 2.034 18227 300 1 1 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.822 0.265 18227 301 1 1 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.163 0.627 18227 302 1 1 . 1 1 54 54 PHE H H 54 8.860 8.860 7.980 0.880 18227 303 1 1 . 1 1 55 55 ARG N N 55 118.355 118.355 116.261 2.094 18227 304 1 1 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.244 -0.124 18227 305 1 1 . 1 1 55 55 ARG C C 55 178.719 178.719 176.787 1.932 18227 306 1 1 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.406 1.570 18227 307 1 1 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.729 -0.651 18227 308 1 1 . 1 1 55 55 ARG H H 55 8.296 8.296 7.623 0.673 18227 309 1 1 . 1 1 56 56 LYS N N 56 119.698 119.698 118.438 1.260 18227 310 1 1 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.305 -0.012 18227 311 1 1 . 1 1 56 56 LYS C C 56 178.742 178.742 177.386 1.356 18227 312 1 1 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.309 0.741 18227 313 1 1 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.651 -0.880 18227 314 1 1 . 1 1 56 56 LYS H H 56 8.377 8.377 8.153 0.224 18227 315 1 1 . 1 1 57 57 LYS N N 57 119.104 119.104 118.069 1.035 18227 316 1 1 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.350 -0.005 18227 317 1 1 . 1 1 57 57 LYS C C 57 178.311 178.311 178.801 -0.490 18227 318 1 1 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.771 0.361 18227 319 1 1 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.498 -0.808 18227 320 1 1 . 1 1 57 57 LYS H H 57 8.610 8.610 8.330 0.280 18227 321 1 1 . 1 1 58 58 GLY N N 58 106.684 106.684 108.127 -1.443 18227 322 1 1 . 1 1 58 58 GLY C C 58 174.451 174.451 174.934 -0.483 18227 323 1 1 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.131 -0.218 18227 324 1 1 . 1 1 58 58 GLY H H 58 8.154 8.154 7.517 0.637 18227 325 1 1 . 1 1 59 59 HIS N N 59 116.995 116.995 117.753 -0.758 18227 326 1 1 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.177 0.598 18227 327 1 1 . 1 1 59 59 HIS C C 59 174.529 174.529 174.994 -0.465 18227 328 1 1 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.691 -1.551 18227 329 1 1 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.588 -0.961 18227 330 1 1 . 1 1 59 59 HIS H H 59 8.106 8.106 8.519 -0.413 18227 331 1 1 . 1 1 60 60 HIS N N 60 117.887 117.887 114.811 3.076 18227 332 1 1 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.647 0.199 18227 333 1 1 . 1 1 60 60 HIS C C 60 174.247 174.247 174.423 -0.176 18227 334 1 1 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.098 -0.191 18227 335 1 1 . 1 1 60 60 HIS CB C 60 29.050 29.050 31.804 -2.754 18227 336 1 1 . 1 1 60 60 HIS H H 60 8.425 8.425 7.407 1.018 18227 337 1 1 . 1 1 61 61 HIS N N 61 118.329 118.329 116.975 1.354 18227 338 1 1 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.708 0.165 18227 339 1 1 . 1 1 61 61 HIS C C 61 174.139 174.139 173.680 0.459 18227 340 1 1 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.534 -0.740 18227 341 1 1 . 1 1 61 61 HIS CB C 61 29.270 29.270 32.138 -2.868 18227 342 1 1 . 1 1 61 61 HIS H H 61 8.573 8.573 8.451 0.122 18227 343 1 1 . 1 1 62 62 HIS N N 62 118.968 118.968 118.576 0.392 18227 344 1 1 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.577 0.298 18227 345 1 1 . 1 1 62 62 HIS C C 62 173.827 173.827 173.794 0.033 18227 346 1 1 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.523 -0.755 18227 347 1 1 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.148 -1.879 18227 348 1 1 . 1 1 62 62 HIS H H 62 8.662 8.662 7.971 0.691 18227 349 1 1 . 1 1 63 63 HIS N N 63 118.949 118.949 125.967 -7.018 18227 350 1 1 . 1 1 63 63 HIS HA H 63 4.850 4.850 3.976 0.874 18227 351 1 1 . 1 1 63 63 HIS C C 63 173.433 173.433 174.242 -0.809 18227 352 1 1 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.843 -1.054 18227 353 1 1 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.122 1.340 18227 354 1 1 . 1 1 63 63 HIS H H 63 8.518 8.518 8.772 -0.254 18227 355 1 2 . 1 1 2 2 GLU N N 2 122.322 122.322 123.621 -1.299 18227 356 1 2 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.144 0.534 18227 357 1 2 . 1 1 2 2 GLU C C 2 175.160 175.160 176.527 -1.367 18227 358 1 2 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.942 -0.849 18227 359 1 2 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.385 0.790 18227 360 1 2 . 1 1 2 2 GLU H H 2 8.641 8.641 8.520 0.121 18227 361 1 2 . 1 1 3 3 GLU N N 3 121.391 121.391 123.765 -2.374 18227 362 1 2 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.219 0.411 18227 363 1 2 . 1 1 3 3 GLU C C 3 176.097 176.097 176.937 -0.840 18227 364 1 2 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.661 -0.574 18227 365 1 2 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.777 -0.593 18227 366 1 2 . 1 1 3 3 GLU H H 3 8.448 8.448 7.863 0.585 18227 367 1 2 . 1 1 4 4 GLY N N 4 109.002 109.002 106.034 2.968 18227 368 1 2 . 1 1 4 4 GLY C C 4 174.407 174.407 175.177 -0.770 18227 369 1 2 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.635 0.811 18227 370 1 2 . 1 1 4 4 GLY H H 4 8.333 8.333 8.538 -0.205 18227 371 1 2 . 1 1 5 5 GLY N N 5 107.419 107.419 108.040 -0.621 18227 372 1 2 . 1 1 5 5 GLY C C 5 173.914 173.914 173.080 0.834 18227 373 1 2 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.151 0.339 18227 374 1 2 . 1 1 5 5 GLY H H 5 8.120 8.120 8.577 -0.457 18227 375 1 2 . 1 1 6 6 ASP N N 6 117.918 117.918 121.489 -3.571 18227 376 1 2 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.214 0.692 18227 377 1 2 . 1 1 6 6 ASP C C 6 175.114 175.114 175.112 0.002 18227 378 1 2 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.449 -0.330 18227 379 1 2 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.281 -2.322 18227 380 1 2 . 1 1 6 6 ASP H H 6 8.204 8.204 7.646 0.558 18227 381 1 2 . 1 1 7 7 PHE N N 7 119.801 119.801 120.410 -0.609 18227 382 1 2 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.633 0.077 18227 383 1 2 . 1 1 7 7 PHE C C 7 175.789 175.789 176.187 -0.398 18227 384 1 2 . 1 1 7 7 PHE CA C 7 58.676 58.676 56.042 2.634 18227 385 1 2 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.117 0.052 18227 386 1 2 . 1 1 7 7 PHE H H 7 8.072 8.072 6.637 1.435 18227 387 1 2 . 1 1 8 8 ASP N N 8 117.963 117.963 120.095 -2.132 18227 388 1 2 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.741 0.036 18227 389 1 2 . 1 1 8 8 ASP C C 8 174.919 174.919 176.612 -1.693 18227 390 1 2 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.048 -1.468 18227 391 1 2 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.364 -2.641 18227 392 1 2 . 1 1 8 8 ASP H H 8 8.184 8.184 8.755 -0.571 18227 393 1 2 . 1 1 9 9 ASN N N 9 117.736 117.736 116.225 1.511 18227 394 1 2 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.446 0.344 18227 395 1 2 . 1 1 9 9 ASN C C 9 174.974 174.974 175.868 -0.894 18227 396 1 2 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.233 -1.498 18227 397 1 2 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.072 0.498 18227 398 1 2 . 1 1 9 9 ASN H H 9 8.080 8.080 8.180 -0.100 18227 399 1 2 . 1 1 10 10 TYR N N 10 119.580 119.580 119.242 0.338 18227 400 1 2 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.150 0.476 18227 401 1 2 . 1 1 10 10 TYR C C 10 175.935 175.935 175.956 -0.021 18227 402 1 2 . 1 1 10 10 TYR CA C 10 58.779 58.779 57.977 0.802 18227 403 1 2 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.505 0.009 18227 404 1 2 . 1 1 10 10 TYR H H 10 7.869 7.869 8.172 -0.303 18227 405 1 2 . 1 1 11 11 TYR N N 11 120.254 120.254 119.032 1.222 18227 406 1 2 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.939 0.680 18227 407 1 2 . 1 1 11 11 TYR C C 11 176.666 176.666 174.674 1.992 18227 408 1 2 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.847 0.009 18227 409 1 2 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.075 1.413 18227 410 1 2 . 1 1 11 11 TYR H H 11 7.906 7.906 8.434 -0.528 18227 411 1 2 . 1 1 12 12 GLY N N 12 108.226 108.226 104.069 4.157 18227 412 1 2 . 1 1 12 12 GLY C C 12 174.314 174.314 173.001 1.313 18227 413 1 2 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.231 0.549 18227 414 1 2 . 1 1 12 12 GLY H H 12 7.817 7.817 7.712 0.105 18227 415 1 2 . 1 1 13 13 ALA N N 13 122.970 122.970 122.315 0.655 18227 416 1 2 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.356 0.114 18227 417 1 2 . 1 1 13 13 ALA C C 13 178.137 178.137 177.752 0.385 18227 418 1 2 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.352 0.098 18227 419 1 2 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.989 -1.306 18227 420 1 2 . 1 1 13 13 ALA H H 13 7.913 7.913 7.737 0.176 18227 421 1 2 . 1 1 14 14 ASP N N 14 116.374 116.374 119.144 -2.770 18227 422 1 2 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.453 0.422 18227 423 1 2 . 1 1 14 14 ASP C C 14 175.450 175.450 177.586 -2.136 18227 424 1 2 . 1 1 14 14 ASP CA C 14 53.640 53.640 57.190 -3.550 18227 425 1 2 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.895 -3.033 18227 426 1 2 . 1 1 14 14 ASP H H 14 8.348 8.348 8.601 -0.253 18227 427 1 2 . 1 1 15 15 ASN N N 15 118.423 118.423 116.799 1.624 18227 428 1 2 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.341 0.529 18227 429 1 2 . 1 1 15 15 ASN C C 15 176.054 176.054 176.260 -0.206 18227 430 1 2 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.199 -1.771 18227 431 1 2 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.499 0.183 18227 432 1 2 . 1 1 15 15 ASN H H 15 8.272 8.272 8.664 -0.392 18227 433 1 2 . 1 1 16 16 GLN N N 16 120.129 120.129 113.685 6.444 18227 434 1 2 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.294 0.122 18227 435 1 2 . 1 1 16 16 GLN C C 16 177.337 177.337 176.652 0.685 18227 436 1 2 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.676 0.580 18227 437 1 2 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.512 0.272 18227 438 1 2 . 1 1 16 16 GLN H H 16 8.481 8.481 8.159 0.322 18227 439 1 2 . 1 1 17 17 SER N N 17 115.051 115.051 115.747 -0.696 18227 440 1 2 . 1 1 17 17 SER HA H 17 4.505 4.505 4.276 0.229 18227 441 1 2 . 1 1 17 17 SER C C 17 175.596 175.596 176.184 -0.588 18227 442 1 2 . 1 1 17 17 SER CA C 17 60.767 60.767 60.120 0.647 18227 443 1 2 . 1 1 17 17 SER CB C 17 63.325 63.325 63.089 0.236 18227 444 1 2 . 1 1 17 17 SER H H 17 8.380 8.380 7.674 0.706 18227 445 1 2 . 1 1 18 18 GLU N N 18 120.901 120.901 122.282 -1.381 18227 446 1 2 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.981 0.478 18227 447 1 2 . 1 1 18 18 GLU C C 18 177.867 177.867 178.975 -1.108 18227 448 1 2 . 1 1 18 18 GLU CA C 18 58.223 58.223 60.047 -1.824 18227 449 1 2 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.506 -1.442 18227 450 1 2 . 1 1 18 18 GLU H H 18 8.233 8.233 8.664 -0.431 18227 451 1 2 . 1 1 19 19 CYS N N 19 118.899 118.899 117.218 1.681 18227 452 1 2 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.190 0.286 18227 453 1 2 . 1 1 19 19 CYS C C 19 175.896 175.896 175.720 0.176 18227 454 1 2 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.034 -0.772 18227 455 1 2 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.087 -0.028 18227 456 1 2 . 1 1 19 19 CYS H H 19 8.245 8.245 8.559 -0.314 18227 457 1 2 . 1 1 20 20 GLU N N 20 120.324 120.324 116.776 3.548 18227 458 1 2 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.313 0.014 18227 459 1 2 . 1 1 20 20 GLU C C 20 177.163 177.163 178.519 -1.356 18227 460 1 2 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.423 0.949 18227 461 1 2 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.549 -1.505 18227 462 1 2 . 1 1 20 20 GLU H H 20 8.299 8.299 7.812 0.487 18227 463 1 2 . 1 1 21 21 TYR N N 21 118.601 118.601 121.661 -3.060 18227 464 1 2 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.262 0.343 18227 465 1 2 . 1 1 21 21 TYR C C 21 177.166 177.166 177.572 -0.406 18227 466 1 2 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.757 -1.351 18227 467 1 2 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.258 0.220 18227 468 1 2 . 1 1 21 21 TYR H H 21 8.165 8.165 8.508 -0.343 18227 469 1 2 . 1 1 22 22 THR N N 22 112.362 112.362 110.433 1.929 18227 470 1 2 . 1 1 22 22 THR HA H 22 4.203 4.203 4.336 -0.133 18227 471 1 2 . 1 1 22 22 THR C C 22 176.226 176.226 175.829 0.397 18227 472 1 2 . 1 1 22 22 THR CA C 22 64.825 64.825 64.564 0.261 18227 473 1 2 . 1 1 22 22 THR CB C 22 69.471 69.471 68.850 0.620 18227 474 1 2 . 1 1 22 22 THR H H 22 8.063 8.063 8.115 -0.052 18227 475 1 2 . 1 1 23 23 ASP N N 23 121.414 121.414 120.960 0.454 18227 476 1 2 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.791 -0.048 18227 477 1 2 . 1 1 23 23 ASP C C 23 176.664 176.664 177.304 -0.640 18227 478 1 2 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.297 -2.138 18227 479 1 2 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.194 -4.719 18227 480 1 2 . 1 1 23 23 ASP H H 23 8.355 8.355 8.228 0.127 18227 481 1 2 . 1 1 24 24 TRP N N 24 121.858 121.858 122.439 -0.581 18227 482 1 2 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.061 0.579 18227 483 1 2 . 1 1 24 24 TRP C C 24 178.311 178.311 177.550 0.761 18227 484 1 2 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.956 -1.312 18227 485 1 2 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.383 -0.640 18227 486 1 2 . 1 1 24 24 TRP H H 24 8.363 8.363 8.886 -0.523 18227 487 1 2 . 1 1 25 25 LYS N N 25 120.099 120.099 118.266 1.833 18227 488 1 2 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.205 1.871 18227 489 1 2 . 1 1 25 25 LYS C C 25 177.946 177.946 177.689 0.257 18227 490 1 2 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.259 -0.125 18227 491 1 2 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.852 0.418 18227 492 1 2 . 1 1 25 25 LYS H H 25 8.291 8.291 7.710 0.581 18227 493 1 2 . 1 1 26 26 SER N N 26 113.558 113.558 111.100 2.458 18227 494 1 2 . 1 1 26 26 SER HA H 26 4.541 4.541 4.431 0.110 18227 495 1 2 . 1 1 26 26 SER C C 26 175.212 175.212 175.118 0.094 18227 496 1 2 . 1 1 26 26 SER CA C 26 59.813 59.813 59.618 0.195 18227 497 1 2 . 1 1 26 26 SER CB C 26 63.672 63.672 64.400 -0.727 18227 498 1 2 . 1 1 26 26 SER H H 26 8.088 8.088 8.206 -0.118 18227 499 1 2 . 1 1 27 27 SER N N 27 116.456 116.456 116.822 -0.366 18227 500 1 2 . 1 1 27 27 SER HA H 27 4.534 4.534 4.622 -0.088 18227 501 1 2 . 1 1 27 27 SER C C 27 175.216 175.216 175.379 -0.163 18227 502 1 2 . 1 1 27 27 SER CA C 27 60.042 60.042 59.503 0.539 18227 503 1 2 . 1 1 27 27 SER CB C 27 63.782 63.782 64.103 -0.321 18227 504 1 2 . 1 1 27 27 SER H H 27 8.025 8.025 8.433 -0.408 18227 505 1 2 . 1 1 28 28 GLY N N 28 108.769 108.769 108.449 0.320 18227 506 1 2 . 1 1 28 28 GLY C C 28 174.198 174.198 173.929 0.269 18227 507 1 2 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.395 0.480 18227 508 1 2 . 1 1 28 28 GLY H H 28 8.051 8.051 7.905 0.146 18227 509 1 2 . 1 1 29 29 ALA N N 29 121.719 121.719 121.971 -0.252 18227 510 1 2 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.405 0.006 18227 511 1 2 . 1 1 29 29 ALA C C 29 177.554 177.554 177.375 0.179 18227 512 1 2 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.780 0.305 18227 513 1 2 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.809 -0.035 18227 514 1 2 . 1 1 29 29 ALA H H 29 7.749 7.749 7.916 -0.167 18227 515 1 2 . 1 1 30 30 LEU N N 30 118.220 118.220 113.044 5.176 18227 516 1 2 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.748 -0.202 18227 517 1 2 . 1 1 30 30 LEU C C 30 176.978 176.978 177.368 -0.390 18227 518 1 2 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.665 0.002 18227 519 1 2 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.226 -0.470 18227 520 1 2 . 1 1 30 30 LEU H H 30 7.660 7.660 7.322 0.338 18227 521 1 2 . 1 1 31 31 ILE N N 31 118.934 118.934 122.609 -3.675 18227 522 1 2 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.142 0.243 18227 523 1 2 . 1 1 31 31 ILE C C 31 175.025 175.025 174.736 0.289 18227 524 1 2 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.224 -3.548 18227 525 1 2 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.008 1.563 18227 526 1 2 . 1 1 31 31 ILE H H 31 7.446 7.446 7.762 -0.316 18227 527 1 2 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.188 0.291 18227 528 1 2 . 1 1 32 32 PRO C C 32 177.601 177.601 178.002 -0.401 18227 529 1 2 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.646 -0.326 18227 530 1 2 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.922 0.313 18227 531 1 2 . 1 1 33 33 ALA N N 33 118.822 118.822 121.728 -2.906 18227 532 1 2 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.067 0.300 18227 533 1 2 . 1 1 33 33 ALA C C 33 179.269 179.269 179.559 -0.290 18227 534 1 2 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.193 -0.376 18227 535 1 2 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.293 -0.401 18227 536 1 2 . 1 1 33 33 ALA H H 33 7.293 7.293 8.064 -0.771 18227 537 1 2 . 1 1 34 34 ILE N N 34 116.953 116.953 118.785 -1.832 18227 538 1 2 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.731 0.359 18227 539 1 2 . 1 1 34 34 ILE C C 34 177.061 177.061 178.409 -1.348 18227 540 1 2 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.673 -0.688 18227 541 1 2 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.102 1.017 18227 542 1 2 . 1 1 34 34 ILE H H 34 7.766 7.766 7.963 -0.197 18227 543 1 2 . 1 1 35 35 TYR N N 35 118.432 118.432 120.565 -2.133 18227 544 1 2 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.050 0.318 18227 545 1 2 . 1 1 35 35 TYR C C 35 178.052 178.052 178.167 -0.115 18227 546 1 2 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.702 -1.580 18227 547 1 2 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.227 -0.291 18227 548 1 2 . 1 1 35 35 TYR H H 35 7.988 7.988 7.921 0.067 18227 549 1 2 . 1 1 36 36 MET N N 36 117.042 117.042 118.453 -1.411 18227 550 1 2 . 1 1 36 36 MET HA H 36 4.534 4.534 4.111 0.423 18227 551 1 2 . 1 1 36 36 MET C C 36 177.734 177.734 178.531 -0.797 18227 552 1 2 . 1 1 36 36 MET CA C 36 58.272 58.272 57.886 0.386 18227 553 1 2 . 1 1 36 36 MET CB C 36 31.979 31.979 31.832 0.147 18227 554 1 2 . 1 1 36 36 MET H H 36 7.934 7.934 8.754 -0.820 18227 555 1 2 . 1 1 37 37 LEU N N 37 120.539 120.539 119.873 0.666 18227 556 1 2 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.020 0.323 18227 557 1 2 . 1 1 37 37 LEU C C 37 178.746 178.746 178.514 0.232 18227 558 1 2 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.202 0.511 18227 559 1 2 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.115 -0.077 18227 560 1 2 . 1 1 37 37 LEU H H 37 8.013 8.013 8.169 -0.156 18227 561 1 2 . 1 1 38 38 VAL N N 38 117.729 117.729 117.642 0.087 18227 562 1 2 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.788 -0.011 18227 563 1 2 . 1 1 38 38 VAL C C 38 179.009 179.009 177.383 1.626 18227 564 1 2 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.272 1.927 18227 565 1 2 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.170 -0.505 18227 566 1 2 . 1 1 38 38 VAL H H 38 8.360 8.360 7.620 0.740 18227 567 1 2 . 1 1 39 39 PHE N N 39 120.549 120.549 123.120 -2.571 18227 568 1 2 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.307 0.118 18227 569 1 2 . 1 1 39 39 PHE C C 39 179.129 179.129 176.887 2.242 18227 570 1 2 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.312 0.210 18227 571 1 2 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.081 -0.978 18227 572 1 2 . 1 1 39 39 PHE H H 39 8.225 8.225 8.279 -0.054 18227 573 1 2 . 1 1 40 40 LEU N N 40 122.778 122.778 116.413 6.365 18227 574 1 2 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.207 -0.040 18227 575 1 2 . 1 1 40 40 LEU C C 40 180.673 180.673 177.504 3.169 18227 576 1 2 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.467 1.171 18227 577 1 2 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.286 0.878 18227 578 1 2 . 1 1 40 40 LEU H H 40 8.874 8.874 8.440 0.434 18227 579 1 2 . 1 1 41 41 LEU N N 41 122.144 122.144 119.141 3.003 18227 580 1 2 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.450 -0.214 18227 581 1 2 . 1 1 41 41 LEU C C 41 180.709 180.709 178.374 2.335 18227 582 1 2 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.242 2.228 18227 583 1 2 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.889 -1.111 18227 584 1 2 . 1 1 41 41 LEU H H 41 9.193 9.193 7.623 1.570 18227 585 1 2 . 1 1 42 42 GLY N N 42 107.124 107.124 104.114 3.010 18227 586 1 2 . 1 1 42 42 GLY C C 42 176.537 176.537 174.525 2.012 18227 587 1 2 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.525 1.208 18227 588 1 2 . 1 1 42 42 GLY H H 42 8.755 8.755 7.911 0.844 18227 589 1 2 . 1 1 43 43 THR N N 43 113.411 113.411 113.760 -0.349 18227 590 1 2 . 1 1 43 43 THR HA H 43 4.299 4.299 4.415 -0.116 18227 591 1 2 . 1 1 43 43 THR C C 43 176.797 176.797 174.052 2.745 18227 592 1 2 . 1 1 43 43 THR CA C 43 64.990 64.990 61.223 3.767 18227 593 1 2 . 1 1 43 43 THR CB C 43 69.731 69.731 69.091 0.640 18227 594 1 2 . 1 1 43 43 THR H H 43 8.179 8.179 7.646 0.533 18227 595 1 2 . 1 1 44 44 THR N N 44 114.667 114.667 114.005 0.662 18227 596 1 2 . 1 1 44 44 THR HA H 44 4.366 4.366 4.450 -0.084 18227 597 1 2 . 1 1 44 44 THR C C 44 176.375 176.375 174.683 1.692 18227 598 1 2 . 1 1 44 44 THR CA C 44 64.833 64.833 63.151 1.682 18227 599 1 2 . 1 1 44 44 THR CB C 44 69.988 69.988 70.721 -0.733 18227 600 1 2 . 1 1 44 44 THR H H 44 8.026 8.026 7.634 0.392 18227 601 1 2 . 1 1 45 45 GLY N N 45 109.336 109.336 108.572 0.764 18227 602 1 2 . 1 1 45 45 GLY C C 45 174.924 174.924 173.767 1.157 18227 603 1 2 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.719 1.008 18227 604 1 2 . 1 1 45 45 GLY H H 45 8.261 8.261 8.123 0.138 18227 605 1 2 . 1 1 46 46 ASN N N 46 117.547 117.547 118.797 -1.250 18227 606 1 2 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.786 -0.047 18227 607 1 2 . 1 1 46 46 ASN C C 46 176.815 176.815 176.528 0.287 18227 608 1 2 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.210 1.140 18227 609 1 2 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.658 -1.165 18227 610 1 2 . 1 1 46 46 ASN H H 46 8.083 8.083 7.865 0.218 18227 611 1 2 . 1 1 47 47 GLY N N 47 106.960 106.960 110.877 -3.917 18227 612 1 2 . 1 1 47 47 GLY C C 47 175.001 175.001 176.451 -1.450 18227 613 1 2 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.009 -0.022 18227 614 1 2 . 1 1 47 47 GLY H H 47 8.318 8.318 8.212 0.106 18227 615 1 2 . 1 1 48 48 LEU N N 48 120.991 120.991 121.937 -0.946 18227 616 1 2 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.108 0.381 18227 617 1 2 . 1 1 48 48 LEU C C 48 180.375 180.375 178.852 1.523 18227 618 1 2 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.624 0.624 18227 619 1 2 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.703 0.345 18227 620 1 2 . 1 1 48 48 LEU H H 48 7.999 7.999 8.045 -0.046 18227 621 1 2 . 1 1 49 49 VAL N N 49 121.040 121.040 118.007 3.033 18227 622 1 2 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.621 0.212 18227 623 1 2 . 1 1 49 49 VAL C C 49 178.016 178.016 178.116 -0.100 18227 624 1 2 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.925 0.292 18227 625 1 2 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.648 0.292 18227 626 1 2 . 1 1 49 49 VAL H H 49 7.989 7.989 7.816 0.173 18227 627 1 2 . 1 1 50 50 LEU N N 50 119.986 119.986 119.175 0.811 18227 628 1 2 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.908 0.289 18227 629 1 2 . 1 1 50 50 LEU C C 50 178.823 178.823 179.162 -0.339 18227 630 1 2 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.871 0.819 18227 631 1 2 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.455 0.210 18227 632 1 2 . 1 1 50 50 LEU H H 50 7.926 7.926 7.872 0.054 18227 633 1 2 . 1 1 51 51 TRP N N 51 117.842 117.842 120.569 -2.727 18227 634 1 2 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.353 0.334 18227 635 1 2 . 1 1 51 51 TRP C C 51 178.729 178.729 178.030 0.699 18227 636 1 2 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.124 -0.744 18227 637 1 2 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.936 -0.394 18227 638 1 2 . 1 1 51 51 TRP H H 51 8.525 8.525 8.274 0.251 18227 639 1 2 . 1 1 52 52 THR N N 52 114.722 114.722 117.630 -2.908 18227 640 1 2 . 1 1 52 52 THR HA H 52 4.007 4.007 3.678 0.329 18227 641 1 2 . 1 1 52 52 THR C C 52 176.228 176.228 176.661 -0.433 18227 642 1 2 . 1 1 52 52 THR CA C 52 67.517 67.517 67.859 -0.342 18227 643 1 2 . 1 1 52 52 THR CB C 52 69.051 69.051 68.933 0.118 18227 644 1 2 . 1 1 52 52 THR H H 52 8.248 8.248 8.704 -0.456 18227 645 1 2 . 1 1 53 53 VAL N N 53 123.008 123.008 121.403 1.605 18227 646 1 2 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.677 0.071 18227 647 1 2 . 1 1 53 53 VAL C C 53 178.474 178.474 177.777 0.697 18227 648 1 2 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.016 0.439 18227 649 1 2 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.258 0.582 18227 650 1 2 . 1 1 53 53 VAL H H 53 8.634 8.634 8.748 -0.114 18227 651 1 2 . 1 1 54 54 PHE N N 54 119.554 119.554 118.355 1.199 18227 652 1 2 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.040 0.370 18227 653 1 2 . 1 1 54 54 PHE C C 54 179.173 179.173 178.414 0.759 18227 654 1 2 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.460 -0.373 18227 655 1 2 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.342 0.448 18227 656 1 2 . 1 1 54 54 PHE H H 54 8.860 8.860 7.757 1.103 18227 657 1 2 . 1 1 55 55 ARG N N 55 118.355 118.355 118.165 0.190 18227 658 1 2 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.949 0.171 18227 659 1 2 . 1 1 55 55 ARG C C 55 178.719 178.719 178.383 0.336 18227 660 1 2 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.725 0.251 18227 661 1 2 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.840 0.238 18227 662 1 2 . 1 1 55 55 ARG H H 55 8.296 8.296 7.634 0.662 18227 663 1 2 . 1 1 56 56 LYS N N 56 119.698 119.698 121.269 -1.571 18227 664 1 2 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.063 0.230 18227 665 1 2 . 1 1 56 56 LYS C C 56 178.742 178.742 178.317 0.425 18227 666 1 2 . 1 1 56 56 LYS CA C 56 59.051 59.051 59.241 -0.190 18227 667 1 2 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.391 0.380 18227 668 1 2 . 1 1 56 56 LYS H H 56 8.377 8.377 8.195 0.182 18227 669 1 2 . 1 1 57 57 LYS N N 57 119.104 119.104 115.345 3.759 18227 670 1 2 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.372 -0.027 18227 671 1 2 . 1 1 57 57 LYS C C 57 178.311 178.311 178.892 -0.581 18227 672 1 2 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.191 -0.059 18227 673 1 2 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.733 -0.043 18227 674 1 2 . 1 1 57 57 LYS H H 57 8.610 8.610 8.122 0.488 18227 675 1 2 . 1 1 58 58 GLY N N 58 106.684 106.684 108.112 -1.428 18227 676 1 2 . 1 1 58 58 GLY C C 58 174.451 174.451 175.349 -0.898 18227 677 1 2 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.495 -0.582 18227 678 1 2 . 1 1 58 58 GLY H H 58 8.154 8.154 7.985 0.169 18227 679 1 2 . 1 1 59 59 HIS N N 59 116.995 116.995 120.921 -3.926 18227 680 1 2 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.293 0.482 18227 681 1 2 . 1 1 59 59 HIS C C 59 174.529 174.529 175.327 -0.798 18227 682 1 2 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.779 -1.639 18227 683 1 2 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.687 -1.060 18227 684 1 2 . 1 1 59 59 HIS H H 59 8.106 8.106 7.969 0.137 18227 685 1 2 . 1 1 60 60 HIS N N 60 117.887 117.887 117.691 0.196 18227 686 1 2 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.331 0.515 18227 687 1 2 . 1 1 60 60 HIS C C 60 174.247 174.247 174.085 0.162 18227 688 1 2 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.684 1.223 18227 689 1 2 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.860 -0.810 18227 690 1 2 . 1 1 60 60 HIS H H 60 8.425 8.425 7.631 0.794 18227 691 1 2 . 1 1 61 61 HIS N N 61 118.329 118.329 120.660 -2.331 18227 692 1 2 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.583 0.290 18227 693 1 2 . 1 1 61 61 HIS C C 61 174.139 174.139 174.930 -0.791 18227 694 1 2 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.497 0.297 18227 695 1 2 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.974 -2.704 18227 696 1 2 . 1 1 61 61 HIS H H 61 8.573 8.573 8.334 0.239 18227 697 1 2 . 1 1 62 62 HIS N N 62 118.968 118.968 118.773 0.195 18227 698 1 2 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.532 0.343 18227 699 1 2 . 1 1 62 62 HIS C C 62 173.827 173.827 175.548 -1.721 18227 700 1 2 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.407 -1.639 18227 701 1 2 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.842 -1.574 18227 702 1 2 . 1 1 62 62 HIS H H 62 8.662 8.662 8.229 0.433 18227 703 1 2 . 1 1 63 63 HIS N N 63 118.949 118.949 119.483 -0.534 18227 704 1 2 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.092 0.758 18227 705 1 2 . 1 1 63 63 HIS C C 63 173.433 173.433 173.943 -0.510 18227 706 1 2 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.525 0.264 18227 707 1 2 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.924 0.538 18227 708 1 2 . 1 1 63 63 HIS H H 63 8.518 8.518 8.559 -0.041 18227 709 1 3 . 1 1 2 2 GLU N N 2 122.322 122.322 120.867 1.455 18227 710 1 3 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.032 0.646 18227 711 1 3 . 1 1 2 2 GLU C C 2 175.160 175.160 175.675 -0.515 18227 712 1 3 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.462 -1.369 18227 713 1 3 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.215 -1.040 18227 714 1 3 . 1 1 2 2 GLU H H 2 8.641 8.641 8.422 0.219 18227 715 1 3 . 1 1 3 3 GLU N N 3 121.391 121.391 116.962 4.429 18227 716 1 3 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.083 0.547 18227 717 1 3 . 1 1 3 3 GLU C C 3 176.097 176.097 175.344 0.753 18227 718 1 3 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.918 -0.831 18227 719 1 3 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.838 -0.654 18227 720 1 3 . 1 1 3 3 GLU H H 3 8.448 8.448 8.262 0.186 18227 721 1 3 . 1 1 4 4 GLY N N 4 109.002 109.002 107.646 1.356 18227 722 1 3 . 1 1 4 4 GLY C C 4 174.407 174.407 172.892 1.515 18227 723 1 3 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.011 0.434 18227 724 1 3 . 1 1 4 4 GLY H H 4 8.333 8.333 8.346 -0.013 18227 725 1 3 . 1 1 5 5 GLY N N 5 107.419 107.419 108.388 -0.969 18227 726 1 3 . 1 1 5 5 GLY C C 5 173.914 173.914 173.359 0.555 18227 727 1 3 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.658 0.832 18227 728 1 3 . 1 1 5 5 GLY H H 5 8.120 8.120 8.382 -0.262 18227 729 1 3 . 1 1 6 6 ASP N N 6 117.918 117.918 118.551 -0.633 18227 730 1 3 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.666 0.240 18227 731 1 3 . 1 1 6 6 ASP C C 6 175.114 175.114 175.470 -0.356 18227 732 1 3 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.854 -0.735 18227 733 1 3 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.294 -3.335 18227 734 1 3 . 1 1 6 6 ASP H H 6 8.204 8.204 8.046 0.158 18227 735 1 3 . 1 1 7 7 PHE N N 7 119.801 119.801 120.453 -0.652 18227 736 1 3 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.347 0.363 18227 737 1 3 . 1 1 7 7 PHE C C 7 175.789 175.789 176.036 -0.247 18227 738 1 3 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.813 -0.137 18227 739 1 3 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.747 -0.578 18227 740 1 3 . 1 1 7 7 PHE H H 7 8.072 8.072 8.160 -0.088 18227 741 1 3 . 1 1 8 8 ASP N N 8 117.963 117.963 124.643 -6.680 18227 742 1 3 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.846 -0.069 18227 743 1 3 . 1 1 8 8 ASP C C 8 174.919 174.919 176.621 -1.702 18227 744 1 3 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.665 -0.085 18227 745 1 3 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.510 -2.787 18227 746 1 3 . 1 1 8 8 ASP H H 8 8.184 8.184 8.608 -0.424 18227 747 1 3 . 1 1 9 9 ASN N N 9 117.736 117.736 118.845 -1.109 18227 748 1 3 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.338 0.452 18227 749 1 3 . 1 1 9 9 ASN C C 9 174.974 174.974 176.615 -1.641 18227 750 1 3 . 1 1 9 9 ASN CA C 9 53.736 53.736 56.036 -2.300 18227 751 1 3 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.056 0.514 18227 752 1 3 . 1 1 9 9 ASN H H 9 8.080 8.080 8.447 -0.367 18227 753 1 3 . 1 1 10 10 TYR N N 10 119.580 119.580 116.546 3.034 18227 754 1 3 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.380 0.246 18227 755 1 3 . 1 1 10 10 TYR C C 10 175.935 175.935 174.549 1.386 18227 756 1 3 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.168 0.611 18227 757 1 3 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.262 2.252 18227 758 1 3 . 1 1 10 10 TYR H H 10 7.869 7.869 7.898 -0.029 18227 759 1 3 . 1 1 11 11 TYR N N 11 120.254 120.254 118.037 2.217 18227 760 1 3 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.636 -0.017 18227 761 1 3 . 1 1 11 11 TYR C C 11 176.666 176.666 175.686 0.980 18227 762 1 3 . 1 1 11 11 TYR CA C 11 58.856 58.856 57.998 0.858 18227 763 1 3 . 1 1 11 11 TYR CB C 11 38.488 38.488 38.926 -0.438 18227 764 1 3 . 1 1 11 11 TYR H H 11 7.906 7.906 7.917 -0.011 18227 765 1 3 . 1 1 12 12 GLY N N 12 108.226 108.226 105.721 2.505 18227 766 1 3 . 1 1 12 12 GLY C C 12 174.314 174.314 173.416 0.898 18227 767 1 3 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.828 -0.048 18227 768 1 3 . 1 1 12 12 GLY H H 12 7.817 7.817 7.825 -0.008 18227 769 1 3 . 1 1 13 13 ALA N N 13 122.970 122.970 122.884 0.086 18227 770 1 3 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.521 -0.051 18227 771 1 3 . 1 1 13 13 ALA C C 13 178.137 178.137 177.907 0.230 18227 772 1 3 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.704 0.746 18227 773 1 3 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.712 -1.030 18227 774 1 3 . 1 1 13 13 ALA H H 13 7.913 7.913 7.913 0.000 18227 775 1 3 . 1 1 14 14 ASP N N 14 116.374 116.374 119.175 -2.801 18227 776 1 3 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.670 0.205 18227 777 1 3 . 1 1 14 14 ASP C C 14 175.450 175.450 177.349 -1.899 18227 778 1 3 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.270 -1.630 18227 779 1 3 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.200 -3.338 18227 780 1 3 . 1 1 14 14 ASP H H 14 8.348 8.348 8.471 -0.123 18227 781 1 3 . 1 1 15 15 ASN N N 15 118.423 118.423 115.900 2.523 18227 782 1 3 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.378 0.492 18227 783 1 3 . 1 1 15 15 ASN C C 15 176.054 176.054 175.326 0.728 18227 784 1 3 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.458 -1.030 18227 785 1 3 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.677 0.005 18227 786 1 3 . 1 1 15 15 ASN H H 15 8.272 8.272 8.758 -0.486 18227 787 1 3 . 1 1 16 16 GLN N N 16 120.129 120.129 114.319 5.810 18227 788 1 3 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.304 0.112 18227 789 1 3 . 1 1 16 16 GLN C C 16 177.337 177.337 177.118 0.219 18227 790 1 3 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.599 0.657 18227 791 1 3 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.901 -0.117 18227 792 1 3 . 1 1 16 16 GLN H H 16 8.481 8.481 7.927 0.554 18227 793 1 3 . 1 1 17 17 SER N N 17 115.051 115.051 116.630 -1.579 18227 794 1 3 . 1 1 17 17 SER HA H 17 4.505 4.505 4.315 0.190 18227 795 1 3 . 1 1 17 17 SER C C 17 175.596 175.596 176.222 -0.626 18227 796 1 3 . 1 1 17 17 SER CA C 17 60.767 60.767 60.652 0.115 18227 797 1 3 . 1 1 17 17 SER CB C 17 63.325 63.325 63.243 0.082 18227 798 1 3 . 1 1 17 17 SER H H 17 8.380 8.380 8.254 0.126 18227 799 1 3 . 1 1 18 18 GLU N N 18 120.901 120.901 120.640 0.261 18227 800 1 3 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.178 0.281 18227 801 1 3 . 1 1 18 18 GLU C C 18 177.867 177.867 177.508 0.359 18227 802 1 3 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.929 -0.706 18227 803 1 3 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.922 -0.858 18227 804 1 3 . 1 1 18 18 GLU H H 18 8.233 8.233 8.437 -0.204 18227 805 1 3 . 1 1 19 19 CYS N N 19 118.899 118.899 116.374 2.525 18227 806 1 3 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.544 -0.068 18227 807 1 3 . 1 1 19 19 CYS C C 19 175.896 175.896 176.195 -0.299 18227 808 1 3 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.357 -0.095 18227 809 1 3 . 1 1 19 19 CYS CB C 19 27.059 27.059 29.491 -2.432 18227 810 1 3 . 1 1 19 19 CYS H H 19 8.245 8.245 7.585 0.660 18227 811 1 3 . 1 1 20 20 GLU N N 20 120.324 120.324 120.907 -0.583 18227 812 1 3 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.164 0.163 18227 813 1 3 . 1 1 20 20 GLU C C 20 177.163 177.163 177.620 -0.457 18227 814 1 3 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.260 0.112 18227 815 1 3 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.165 -0.121 18227 816 1 3 . 1 1 20 20 GLU H H 20 8.299 8.299 7.861 0.438 18227 817 1 3 . 1 1 21 21 TYR N N 21 118.601 118.601 121.714 -3.113 18227 818 1 3 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.281 0.324 18227 819 1 3 . 1 1 21 21 TYR C C 21 177.166 177.166 176.804 0.362 18227 820 1 3 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.910 -1.504 18227 821 1 3 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.300 0.178 18227 822 1 3 . 1 1 21 21 TYR H H 21 8.165 8.165 8.885 -0.720 18227 823 1 3 . 1 1 22 22 THR N N 22 112.362 112.362 108.699 3.663 18227 824 1 3 . 1 1 22 22 THR HA H 22 4.203 4.203 3.237 0.966 18227 825 1 3 . 1 1 22 22 THR C C 22 176.226 176.226 175.331 0.895 18227 826 1 3 . 1 1 22 22 THR CA C 22 64.825 64.825 63.682 1.143 18227 827 1 3 . 1 1 22 22 THR CB C 22 69.471 69.471 68.003 1.468 18227 828 1 3 . 1 1 22 22 THR H H 22 8.063 8.063 8.149 -0.086 18227 829 1 3 . 1 1 23 23 ASP N N 23 121.414 121.414 120.806 0.608 18227 830 1 3 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.737 0.006 18227 831 1 3 . 1 1 23 23 ASP C C 23 176.664 176.664 177.395 -0.731 18227 832 1 3 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.575 -1.416 18227 833 1 3 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.158 -4.683 18227 834 1 3 . 1 1 23 23 ASP H H 23 8.355 8.355 7.663 0.692 18227 835 1 3 . 1 1 24 24 TRP N N 24 121.858 121.858 123.163 -1.305 18227 836 1 3 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.074 0.566 18227 837 1 3 . 1 1 24 24 TRP C C 24 178.311 178.311 177.655 0.656 18227 838 1 3 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.227 -1.583 18227 839 1 3 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.511 -0.768 18227 840 1 3 . 1 1 24 24 TRP H H 24 8.363 8.363 8.783 -0.420 18227 841 1 3 . 1 1 25 25 LYS N N 25 120.099 120.099 117.789 2.310 18227 842 1 3 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.386 1.690 18227 843 1 3 . 1 1 25 25 LYS C C 25 177.946 177.946 177.850 0.096 18227 844 1 3 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.150 -0.016 18227 845 1 3 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.799 0.471 18227 846 1 3 . 1 1 25 25 LYS H H 25 8.291 8.291 7.494 0.797 18227 847 1 3 . 1 1 26 26 SER N N 26 113.558 113.558 113.072 0.486 18227 848 1 3 . 1 1 26 26 SER HA H 26 4.541 4.541 4.375 0.166 18227 849 1 3 . 1 1 26 26 SER C C 26 175.212 175.212 176.200 -0.988 18227 850 1 3 . 1 1 26 26 SER CA C 26 59.813 59.813 60.640 -0.827 18227 851 1 3 . 1 1 26 26 SER CB C 26 63.672 63.672 64.487 -0.815 18227 852 1 3 . 1 1 26 26 SER H H 26 8.088 8.088 7.896 0.192 18227 853 1 3 . 1 1 27 27 SER N N 27 116.456 116.456 118.257 -1.801 18227 854 1 3 . 1 1 27 27 SER HA H 27 4.534 4.534 4.408 0.126 18227 855 1 3 . 1 1 27 27 SER C C 27 175.216 175.216 175.309 -0.093 18227 856 1 3 . 1 1 27 27 SER CA C 27 60.042 60.042 60.205 -0.163 18227 857 1 3 . 1 1 27 27 SER CB C 27 63.782 63.782 62.953 0.829 18227 858 1 3 . 1 1 27 27 SER H H 27 8.025 8.025 8.560 -0.535 18227 859 1 3 . 1 1 28 28 GLY N N 28 108.769 108.769 107.501 1.268 18227 860 1 3 . 1 1 28 28 GLY C C 28 174.198 174.198 174.150 0.048 18227 861 1 3 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.571 1.304 18227 862 1 3 . 1 1 28 28 GLY H H 28 8.051 8.051 7.600 0.451 18227 863 1 3 . 1 1 29 29 ALA N N 29 121.719 121.719 122.742 -1.023 18227 864 1 3 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.507 -0.096 18227 865 1 3 . 1 1 29 29 ALA C C 29 177.554 177.554 176.966 0.588 18227 866 1 3 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.408 0.677 18227 867 1 3 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.668 0.106 18227 868 1 3 . 1 1 29 29 ALA H H 29 7.749 7.749 7.609 0.140 18227 869 1 3 . 1 1 30 30 LEU N N 30 118.220 118.220 113.407 4.813 18227 870 1 3 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.686 -0.140 18227 871 1 3 . 1 1 30 30 LEU C C 30 176.978 176.978 177.695 -0.717 18227 872 1 3 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.113 -0.446 18227 873 1 3 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.792 -0.036 18227 874 1 3 . 1 1 30 30 LEU H H 30 7.660 7.660 7.435 0.225 18227 875 1 3 . 1 1 31 31 ILE N N 31 118.934 118.934 120.779 -1.845 18227 876 1 3 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.186 0.199 18227 877 1 3 . 1 1 31 31 ILE C C 31 175.025 175.025 174.995 0.030 18227 878 1 3 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.179 -3.503 18227 879 1 3 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.271 2.300 18227 880 1 3 . 1 1 31 31 ILE H H 31 7.446 7.446 7.673 -0.227 18227 881 1 3 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.282 0.197 18227 882 1 3 . 1 1 32 32 PRO C C 32 177.601 177.601 178.147 -0.546 18227 883 1 3 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.018 -0.698 18227 884 1 3 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.699 0.536 18227 885 1 3 . 1 1 33 33 ALA N N 33 118.822 118.822 121.898 -3.076 18227 886 1 3 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.132 0.235 18227 887 1 3 . 1 1 33 33 ALA C C 33 179.269 179.269 179.780 -0.511 18227 888 1 3 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.125 -0.308 18227 889 1 3 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.327 -0.435 18227 890 1 3 . 1 1 33 33 ALA H H 33 7.293 7.293 7.501 -0.208 18227 891 1 3 . 1 1 34 34 ILE N N 34 116.953 116.953 118.923 -1.970 18227 892 1 3 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.675 0.415 18227 893 1 3 . 1 1 34 34 ILE C C 34 177.061 177.061 178.475 -1.414 18227 894 1 3 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.915 -0.930 18227 895 1 3 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.111 1.008 18227 896 1 3 . 1 1 34 34 ILE H H 34 7.766 7.766 7.735 0.031 18227 897 1 3 . 1 1 35 35 TYR N N 35 118.432 118.432 119.575 -1.143 18227 898 1 3 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.068 0.300 18227 899 1 3 . 1 1 35 35 TYR C C 35 178.052 178.052 178.560 -0.508 18227 900 1 3 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.540 -1.418 18227 901 1 3 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.452 -0.516 18227 902 1 3 . 1 1 35 35 TYR H H 35 7.988 7.988 7.927 0.061 18227 903 1 3 . 1 1 36 36 MET N N 36 117.042 117.042 117.973 -0.931 18227 904 1 3 . 1 1 36 36 MET HA H 36 4.534 4.534 4.214 0.320 18227 905 1 3 . 1 1 36 36 MET C C 36 177.734 177.734 178.839 -1.105 18227 906 1 3 . 1 1 36 36 MET CA C 36 58.272 58.272 57.807 0.465 18227 907 1 3 . 1 1 36 36 MET CB C 36 31.979 31.979 32.078 -0.099 18227 908 1 3 . 1 1 36 36 MET H H 36 7.934 7.934 8.584 -0.650 18227 909 1 3 . 1 1 37 37 LEU N N 37 120.539 120.539 120.215 0.324 18227 910 1 3 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.064 0.279 18227 911 1 3 . 1 1 37 37 LEU C C 37 178.746 178.746 178.504 0.242 18227 912 1 3 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.305 0.407 18227 913 1 3 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.073 -0.035 18227 914 1 3 . 1 1 37 37 LEU H H 37 8.013 8.013 8.496 -0.483 18227 915 1 3 . 1 1 38 38 VAL N N 38 117.729 117.729 116.962 0.767 18227 916 1 3 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.865 -0.088 18227 917 1 3 . 1 1 38 38 VAL C C 38 179.009 179.009 177.093 1.916 18227 918 1 3 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.924 2.275 18227 919 1 3 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.330 -0.665 18227 920 1 3 . 1 1 38 38 VAL H H 38 8.360 8.360 7.669 0.691 18227 921 1 3 . 1 1 39 39 PHE N N 39 120.549 120.549 122.567 -2.018 18227 922 1 3 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.446 -0.021 18227 923 1 3 . 1 1 39 39 PHE C C 39 179.129 179.129 176.982 2.147 18227 924 1 3 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.496 0.026 18227 925 1 3 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.245 -1.142 18227 926 1 3 . 1 1 39 39 PHE H H 39 8.225 8.225 7.971 0.254 18227 927 1 3 . 1 1 40 40 LEU N N 40 122.778 122.778 115.899 6.879 18227 928 1 3 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.333 -0.166 18227 929 1 3 . 1 1 40 40 LEU C C 40 180.673 180.673 176.966 3.707 18227 930 1 3 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.111 1.527 18227 931 1 3 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.025 1.139 18227 932 1 3 . 1 1 40 40 LEU H H 40 8.874 8.874 8.343 0.531 18227 933 1 3 . 1 1 41 41 LEU N N 41 122.144 122.144 119.162 2.982 18227 934 1 3 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.445 -0.209 18227 935 1 3 . 1 1 41 41 LEU C C 41 180.709 180.709 178.424 2.285 18227 936 1 3 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.597 1.873 18227 937 1 3 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.909 -1.131 18227 938 1 3 . 1 1 41 41 LEU H H 41 9.193 9.193 7.574 1.619 18227 939 1 3 . 1 1 42 42 GLY N N 42 107.124 107.124 104.050 3.074 18227 940 1 3 . 1 1 42 42 GLY C C 42 176.537 176.537 174.653 1.884 18227 941 1 3 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.796 0.937 18227 942 1 3 . 1 1 42 42 GLY H H 42 8.755 8.755 7.817 0.938 18227 943 1 3 . 1 1 43 43 THR N N 43 113.411 113.411 115.126 -1.715 18227 944 1 3 . 1 1 43 43 THR HA H 43 4.299 4.299 4.537 -0.238 18227 945 1 3 . 1 1 43 43 THR C C 43 176.797 176.797 173.933 2.864 18227 946 1 3 . 1 1 43 43 THR CA C 43 64.990 64.990 60.931 4.059 18227 947 1 3 . 1 1 43 43 THR CB C 43 69.731 69.731 68.946 0.785 18227 948 1 3 . 1 1 43 43 THR H H 43 8.179 8.179 7.793 0.386 18227 949 1 3 . 1 1 44 44 THR N N 44 114.667 114.667 116.951 -2.284 18227 950 1 3 . 1 1 44 44 THR HA H 44 4.366 4.366 4.482 -0.116 18227 951 1 3 . 1 1 44 44 THR C C 44 176.375 176.375 175.270 1.105 18227 952 1 3 . 1 1 44 44 THR CA C 44 64.833 64.833 64.514 0.319 18227 953 1 3 . 1 1 44 44 THR CB C 44 69.988 69.988 70.704 -0.716 18227 954 1 3 . 1 1 44 44 THR H H 44 8.026 8.026 7.793 0.233 18227 955 1 3 . 1 1 45 45 GLY N N 45 109.336 109.336 109.619 -0.283 18227 956 1 3 . 1 1 45 45 GLY C C 45 174.924 174.924 174.939 -0.015 18227 957 1 3 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.301 1.426 18227 958 1 3 . 1 1 45 45 GLY H H 45 8.261 8.261 8.226 0.035 18227 959 1 3 . 1 1 46 46 ASN N N 46 117.547 117.547 118.747 -1.200 18227 960 1 3 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.561 0.178 18227 961 1 3 . 1 1 46 46 ASN C C 46 176.815 176.815 177.084 -0.269 18227 962 1 3 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.799 0.551 18227 963 1 3 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.871 0.622 18227 964 1 3 . 1 1 46 46 ASN H H 46 8.083 8.083 7.900 0.183 18227 965 1 3 . 1 1 47 47 GLY N N 47 106.960 106.960 108.674 -1.714 18227 966 1 3 . 1 1 47 47 GLY C C 47 175.001 175.001 175.885 -0.884 18227 967 1 3 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.562 0.425 18227 968 1 3 . 1 1 47 47 GLY H H 47 8.318 8.318 8.191 0.127 18227 969 1 3 . 1 1 48 48 LEU N N 48 120.991 120.991 121.997 -1.006 18227 970 1 3 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.056 0.433 18227 971 1 3 . 1 1 48 48 LEU C C 48 180.375 180.375 178.709 1.666 18227 972 1 3 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.682 0.566 18227 973 1 3 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.907 0.140 18227 974 1 3 . 1 1 48 48 LEU H H 48 7.999 7.999 7.618 0.381 18227 975 1 3 . 1 1 49 49 VAL N N 49 121.040 121.040 118.601 2.439 18227 976 1 3 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.676 0.157 18227 977 1 3 . 1 1 49 49 VAL C C 49 178.016 178.016 178.053 -0.037 18227 978 1 3 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.837 0.381 18227 979 1 3 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.381 0.559 18227 980 1 3 . 1 1 49 49 VAL H H 49 7.989 7.989 7.381 0.608 18227 981 1 3 . 1 1 50 50 LEU N N 50 119.986 119.986 119.036 0.950 18227 982 1 3 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.030 0.167 18227 983 1 3 . 1 1 50 50 LEU C C 50 178.823 178.823 179.649 -0.826 18227 984 1 3 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.817 0.873 18227 985 1 3 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.254 0.411 18227 986 1 3 . 1 1 50 50 LEU H H 50 7.926 7.926 7.917 0.009 18227 987 1 3 . 1 1 51 51 TRP N N 51 117.842 117.842 121.447 -3.605 18227 988 1 3 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.427 0.260 18227 989 1 3 . 1 1 51 51 TRP C C 51 178.729 178.729 178.420 0.309 18227 990 1 3 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.086 -0.706 18227 991 1 3 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.962 -0.421 18227 992 1 3 . 1 1 51 51 TRP H H 51 8.525 8.525 8.513 0.012 18227 993 1 3 . 1 1 52 52 THR N N 52 114.722 114.722 117.822 -3.100 18227 994 1 3 . 1 1 52 52 THR HA H 52 4.007 4.007 3.696 0.311 18227 995 1 3 . 1 1 52 52 THR C C 52 176.228 176.228 176.930 -0.702 18227 996 1 3 . 1 1 52 52 THR CA C 52 67.517 67.517 67.338 0.179 18227 997 1 3 . 1 1 52 52 THR CB C 52 69.051 69.051 69.043 0.008 18227 998 1 3 . 1 1 52 52 THR H H 52 8.248 8.248 8.709 -0.461 18227 999 1 3 . 1 1 53 53 VAL N N 53 123.008 123.008 122.250 0.758 18227 1000 1 3 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.703 0.045 18227 1001 1 3 . 1 1 53 53 VAL C C 53 178.474 178.474 176.883 1.591 18227 1002 1 3 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.475 0.980 18227 1003 1 3 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.416 0.424 18227 1004 1 3 . 1 1 53 53 VAL H H 53 8.634 8.634 8.837 -0.203 18227 1005 1 3 . 1 1 54 54 PHE N N 54 119.554 119.554 117.544 2.010 18227 1006 1 3 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.171 0.239 18227 1007 1 3 . 1 1 54 54 PHE C C 54 179.173 179.173 176.825 2.348 18227 1008 1 3 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.412 -0.325 18227 1009 1 3 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.709 0.081 18227 1010 1 3 . 1 1 54 54 PHE H H 54 8.860 8.860 7.709 1.151 18227 1011 1 3 . 1 1 55 55 ARG N N 55 118.355 118.355 116.026 2.329 18227 1012 1 3 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.410 -0.290 18227 1013 1 3 . 1 1 55 55 ARG C C 55 178.719 178.719 176.140 2.579 18227 1014 1 3 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.713 2.263 18227 1015 1 3 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.686 -0.608 18227 1016 1 3 . 1 1 55 55 ARG H H 55 8.296 8.296 7.589 0.707 18227 1017 1 3 . 1 1 56 56 LYS N N 56 119.698 119.698 118.369 1.329 18227 1018 1 3 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.381 -0.088 18227 1019 1 3 . 1 1 56 56 LYS C C 56 178.742 178.742 177.097 1.645 18227 1020 1 3 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.543 1.508 18227 1021 1 3 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.065 -1.294 18227 1022 1 3 . 1 1 56 56 LYS H H 56 8.377 8.377 8.166 0.211 18227 1023 1 3 . 1 1 57 57 LYS N N 57 119.104 119.104 120.011 -0.907 18227 1024 1 3 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.514 -0.169 18227 1025 1 3 . 1 1 57 57 LYS C C 57 178.311 178.311 177.876 0.435 18227 1026 1 3 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.016 0.116 18227 1027 1 3 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.785 -1.095 18227 1028 1 3 . 1 1 57 57 LYS H H 57 8.610 8.610 8.287 0.323 18227 1029 1 3 . 1 1 58 58 GLY N N 58 106.684 106.684 107.606 -0.922 18227 1030 1 3 . 1 1 58 58 GLY C C 58 174.451 174.451 174.956 -0.505 18227 1031 1 3 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.187 -0.274 18227 1032 1 3 . 1 1 58 58 GLY H H 58 8.154 8.154 7.591 0.563 18227 1033 1 3 . 1 1 59 59 HIS N N 59 116.995 116.995 118.795 -1.800 18227 1034 1 3 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.172 0.603 18227 1035 1 3 . 1 1 59 59 HIS C C 59 174.529 174.529 176.051 -1.522 18227 1036 1 3 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.932 -2.792 18227 1037 1 3 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.599 -0.972 18227 1038 1 3 . 1 1 59 59 HIS H H 59 8.106 8.106 8.246 -0.140 18227 1039 1 3 . 1 1 60 60 HIS N N 60 117.887 117.887 116.650 1.237 18227 1040 1 3 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.071 0.775 18227 1041 1 3 . 1 1 60 60 HIS C C 60 174.247 174.247 174.844 -0.597 18227 1042 1 3 . 1 1 60 60 HIS CA C 60 55.907 55.907 58.010 -2.103 18227 1043 1 3 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.435 -1.385 18227 1044 1 3 . 1 1 60 60 HIS H H 60 8.425 8.425 8.290 0.135 18227 1045 1 3 . 1 1 61 61 HIS N N 61 118.329 118.329 112.375 5.954 18227 1046 1 3 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.529 0.344 18227 1047 1 3 . 1 1 61 61 HIS C C 61 174.139 174.139 174.585 -0.446 18227 1048 1 3 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.295 -0.501 18227 1049 1 3 . 1 1 61 61 HIS CB C 61 29.270 29.270 32.046 -2.776 18227 1050 1 3 . 1 1 61 61 HIS H H 61 8.573 8.573 8.457 0.116 18227 1051 1 3 . 1 1 62 62 HIS N N 62 118.968 118.968 117.303 1.665 18227 1052 1 3 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.624 0.251 18227 1053 1 3 . 1 1 62 62 HIS C C 62 173.827 173.827 174.544 -0.717 18227 1054 1 3 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.511 -1.743 18227 1055 1 3 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.263 -1.995 18227 1056 1 3 . 1 1 62 62 HIS H H 62 8.662 8.662 8.037 0.625 18227 1057 1 3 . 1 1 63 63 HIS N N 63 118.949 118.949 121.206 -2.257 18227 1058 1 3 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.527 0.323 18227 1059 1 3 . 1 1 63 63 HIS C C 63 173.433 173.433 175.039 -1.606 18227 1060 1 3 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.145 -0.356 18227 1061 1 3 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.198 0.264 18227 1062 1 3 . 1 1 63 63 HIS H H 63 8.518 8.518 8.605 -0.087 18227 1063 1 4 . 1 1 2 2 GLU N N 2 122.322 122.322 123.992 -1.670 18227 1064 1 4 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.460 0.218 18227 1065 1 4 . 1 1 2 2 GLU C C 2 175.160 175.160 175.476 -0.316 18227 1066 1 4 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.580 -0.487 18227 1067 1 4 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.078 0.097 18227 1068 1 4 . 1 1 2 2 GLU H H 2 8.641 8.641 8.571 0.070 18227 1069 1 4 . 1 1 3 3 GLU N N 3 121.391 121.391 123.242 -1.851 18227 1070 1 4 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.436 0.194 18227 1071 1 4 . 1 1 3 3 GLU C C 3 176.097 176.097 176.027 0.070 18227 1072 1 4 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.529 -1.442 18227 1073 1 4 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.848 -0.663 18227 1074 1 4 . 1 1 3 3 GLU H H 3 8.448 8.448 8.324 0.124 18227 1075 1 4 . 1 1 4 4 GLY N N 4 109.002 109.002 107.981 1.021 18227 1076 1 4 . 1 1 4 4 GLY C C 4 174.407 174.407 174.551 -0.144 18227 1077 1 4 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.989 0.456 18227 1078 1 4 . 1 1 4 4 GLY H H 4 8.333 8.333 8.487 -0.154 18227 1079 1 4 . 1 1 5 5 GLY N N 5 107.419 107.419 110.166 -2.747 18227 1080 1 4 . 1 1 5 5 GLY C C 5 173.914 173.914 172.451 1.463 18227 1081 1 4 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.870 0.620 18227 1082 1 4 . 1 1 5 5 GLY H H 5 8.120 8.120 8.109 0.011 18227 1083 1 4 . 1 1 6 6 ASP N N 6 117.918 117.918 121.522 -3.604 18227 1084 1 4 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.981 -0.075 18227 1085 1 4 . 1 1 6 6 ASP C C 6 175.114 175.114 174.846 0.268 18227 1086 1 4 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.446 -0.327 18227 1087 1 4 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.960 -3.001 18227 1088 1 4 . 1 1 6 6 ASP H H 6 8.204 8.204 8.609 -0.405 18227 1089 1 4 . 1 1 7 7 PHE N N 7 119.801 119.801 119.425 0.376 18227 1090 1 4 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.555 0.155 18227 1091 1 4 . 1 1 7 7 PHE C C 7 175.789 175.789 175.207 0.582 18227 1092 1 4 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.207 1.469 18227 1093 1 4 . 1 1 7 7 PHE CB C 7 39.169 39.169 41.737 -2.568 18227 1094 1 4 . 1 1 7 7 PHE H H 7 8.072 8.072 8.180 -0.108 18227 1095 1 4 . 1 1 8 8 ASP N N 8 117.963 117.963 119.915 -1.952 18227 1096 1 4 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.755 0.022 18227 1097 1 4 . 1 1 8 8 ASP C C 8 174.919 174.919 177.244 -2.325 18227 1098 1 4 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.092 -1.512 18227 1099 1 4 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.165 -2.442 18227 1100 1 4 . 1 1 8 8 ASP H H 8 8.184 8.184 8.680 -0.496 18227 1101 1 4 . 1 1 9 9 ASN N N 9 117.736 117.736 118.386 -0.650 18227 1102 1 4 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.409 0.381 18227 1103 1 4 . 1 1 9 9 ASN C C 9 174.974 174.974 175.737 -0.763 18227 1104 1 4 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.806 -1.070 18227 1105 1 4 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.254 0.316 18227 1106 1 4 . 1 1 9 9 ASN H H 9 8.080 8.080 8.447 -0.367 18227 1107 1 4 . 1 1 10 10 TYR N N 10 119.580 119.580 121.469 -1.889 18227 1108 1 4 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.065 0.561 18227 1109 1 4 . 1 1 10 10 TYR C C 10 175.935 175.935 175.599 0.336 18227 1110 1 4 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.796 -0.017 18227 1111 1 4 . 1 1 10 10 TYR CB C 10 38.514 38.514 35.916 2.598 18227 1112 1 4 . 1 1 10 10 TYR H H 10 7.869 7.869 7.492 0.377 18227 1113 1 4 . 1 1 11 11 TYR N N 11 120.254 120.254 119.099 1.155 18227 1114 1 4 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.161 0.458 18227 1115 1 4 . 1 1 11 11 TYR C C 11 176.666 176.666 176.080 0.586 18227 1116 1 4 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.085 -0.229 18227 1117 1 4 . 1 1 11 11 TYR CB C 11 38.488 38.488 35.053 3.435 18227 1118 1 4 . 1 1 11 11 TYR H H 11 7.906 7.906 8.480 -0.574 18227 1119 1 4 . 1 1 12 12 GLY N N 12 108.226 108.226 104.475 3.751 18227 1120 1 4 . 1 1 12 12 GLY C C 12 174.314 174.314 173.964 0.350 18227 1121 1 4 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.866 -0.086 18227 1122 1 4 . 1 1 12 12 GLY H H 12 7.817 7.817 8.032 -0.215 18227 1123 1 4 . 1 1 13 13 ALA N N 13 122.970 122.970 121.859 1.111 18227 1124 1 4 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.423 0.047 18227 1125 1 4 . 1 1 13 13 ALA C C 13 178.137 178.137 177.561 0.576 18227 1126 1 4 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.906 0.544 18227 1127 1 4 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.132 -1.449 18227 1128 1 4 . 1 1 13 13 ALA H H 13 7.913 7.913 8.118 -0.205 18227 1129 1 4 . 1 1 14 14 ASP N N 14 116.374 116.374 119.418 -3.044 18227 1130 1 4 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.453 0.422 18227 1131 1 4 . 1 1 14 14 ASP C C 14 175.450 175.450 177.348 -1.898 18227 1132 1 4 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.880 -2.240 18227 1133 1 4 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.625 -2.763 18227 1134 1 4 . 1 1 14 14 ASP H H 14 8.348 8.348 7.987 0.361 18227 1135 1 4 . 1 1 15 15 ASN N N 15 118.423 118.423 118.867 -0.444 18227 1136 1 4 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.423 0.447 18227 1137 1 4 . 1 1 15 15 ASN C C 15 176.054 176.054 175.630 0.424 18227 1138 1 4 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.111 -1.683 18227 1139 1 4 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.128 0.554 18227 1140 1 4 . 1 1 15 15 ASN H H 15 8.272 8.272 8.940 -0.668 18227 1141 1 4 . 1 1 16 16 GLN N N 16 120.129 120.129 115.063 5.066 18227 1142 1 4 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.429 -0.013 18227 1143 1 4 . 1 1 16 16 GLN C C 16 177.337 177.337 175.050 2.287 18227 1144 1 4 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.859 1.397 18227 1145 1 4 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.640 0.144 18227 1146 1 4 . 1 1 16 16 GLN H H 16 8.481 8.481 8.281 0.200 18227 1147 1 4 . 1 1 17 17 SER N N 17 115.051 115.051 117.919 -2.868 18227 1148 1 4 . 1 1 17 17 SER HA H 17 4.505 4.505 4.432 0.073 18227 1149 1 4 . 1 1 17 17 SER C C 17 175.596 175.596 176.435 -0.839 18227 1150 1 4 . 1 1 17 17 SER CA C 17 60.767 60.767 59.881 0.886 18227 1151 1 4 . 1 1 17 17 SER CB C 17 63.325 63.325 64.631 -1.306 18227 1152 1 4 . 1 1 17 17 SER H H 17 8.380 8.380 7.924 0.456 18227 1153 1 4 . 1 1 18 18 GLU N N 18 120.901 120.901 122.761 -1.860 18227 1154 1 4 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.076 0.383 18227 1155 1 4 . 1 1 18 18 GLU C C 18 177.867 177.867 178.294 -0.427 18227 1156 1 4 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.562 -1.339 18227 1157 1 4 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.114 -1.049 18227 1158 1 4 . 1 1 18 18 GLU H H 18 8.233 8.233 8.949 -0.716 18227 1159 1 4 . 1 1 19 19 CYS N N 19 118.899 118.899 116.109 2.790 18227 1160 1 4 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.338 0.138 18227 1161 1 4 . 1 1 19 19 CYS C C 19 175.896 175.896 176.264 -0.368 18227 1162 1 4 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.907 -0.645 18227 1163 1 4 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.326 -0.267 18227 1164 1 4 . 1 1 19 19 CYS H H 19 8.245 8.245 8.300 -0.055 18227 1165 1 4 . 1 1 20 20 GLU N N 20 120.324 120.324 119.041 1.283 18227 1166 1 4 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.333 -0.006 18227 1167 1 4 . 1 1 20 20 GLU C C 20 177.163 177.163 177.760 -0.597 18227 1168 1 4 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.778 0.594 18227 1169 1 4 . 1 1 20 20 GLU CB C 20 28.044 28.044 30.049 -2.005 18227 1170 1 4 . 1 1 20 20 GLU H H 20 8.299 8.299 8.313 -0.014 18227 1171 1 4 . 1 1 21 21 TYR N N 21 118.601 118.601 121.912 -3.311 18227 1172 1 4 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.332 0.273 18227 1173 1 4 . 1 1 21 21 TYR C C 21 177.166 177.166 177.282 -0.116 18227 1174 1 4 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.911 -1.505 18227 1175 1 4 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.816 -0.338 18227 1176 1 4 . 1 1 21 21 TYR H H 21 8.165 8.165 8.414 -0.249 18227 1177 1 4 . 1 1 22 22 THR N N 22 112.362 112.362 110.540 1.822 18227 1178 1 4 . 1 1 22 22 THR HA H 22 4.203 4.203 4.293 -0.090 18227 1179 1 4 . 1 1 22 22 THR C C 22 176.226 176.226 175.062 1.164 18227 1180 1 4 . 1 1 22 22 THR CA C 22 64.825 64.825 65.060 -0.235 18227 1181 1 4 . 1 1 22 22 THR CB C 22 69.471 69.471 68.483 0.988 18227 1182 1 4 . 1 1 22 22 THR H H 22 8.063 8.063 7.959 0.104 18227 1183 1 4 . 1 1 23 23 ASP N N 23 121.414 121.414 122.185 -0.771 18227 1184 1 4 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.684 0.059 18227 1185 1 4 . 1 1 23 23 ASP C C 23 176.664 176.664 177.486 -0.822 18227 1186 1 4 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.666 -1.507 18227 1187 1 4 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.414 -3.939 18227 1188 1 4 . 1 1 23 23 ASP H H 23 8.355 8.355 7.684 0.671 18227 1189 1 4 . 1 1 24 24 TRP N N 24 121.858 121.858 123.331 -1.473 18227 1190 1 4 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.171 0.469 18227 1191 1 4 . 1 1 24 24 TRP C C 24 178.311 178.311 177.782 0.529 18227 1192 1 4 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.711 -1.067 18227 1193 1 4 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.257 -0.514 18227 1194 1 4 . 1 1 24 24 TRP H H 24 8.363 8.363 8.803 -0.440 18227 1195 1 4 . 1 1 25 25 LYS N N 25 120.099 120.099 117.534 2.565 18227 1196 1 4 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.336 1.740 18227 1197 1 4 . 1 1 25 25 LYS C C 25 177.946 177.946 177.971 -0.025 18227 1198 1 4 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.103 0.031 18227 1199 1 4 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.543 0.728 18227 1200 1 4 . 1 1 25 25 LYS H H 25 8.291 8.291 7.280 1.011 18227 1201 1 4 . 1 1 26 26 SER N N 26 113.558 113.558 113.001 0.557 18227 1202 1 4 . 1 1 26 26 SER HA H 26 4.541 4.541 4.370 0.171 18227 1203 1 4 . 1 1 26 26 SER C C 26 175.212 175.212 176.037 -0.825 18227 1204 1 4 . 1 1 26 26 SER CA C 26 59.813 59.813 60.094 -0.281 18227 1205 1 4 . 1 1 26 26 SER CB C 26 63.672 63.672 63.990 -0.318 18227 1206 1 4 . 1 1 26 26 SER H H 26 8.088 8.088 7.878 0.210 18227 1207 1 4 . 1 1 27 27 SER N N 27 116.456 116.456 116.982 -0.526 18227 1208 1 4 . 1 1 27 27 SER HA H 27 4.534 4.534 4.415 0.119 18227 1209 1 4 . 1 1 27 27 SER C C 27 175.216 175.216 176.582 -1.366 18227 1210 1 4 . 1 1 27 27 SER CA C 27 60.042 60.042 60.125 -0.083 18227 1211 1 4 . 1 1 27 27 SER CB C 27 63.782 63.782 62.785 0.997 18227 1212 1 4 . 1 1 27 27 SER H H 27 8.025 8.025 8.487 -0.462 18227 1213 1 4 . 1 1 28 28 GLY N N 28 108.769 108.769 109.052 -0.283 18227 1214 1 4 . 1 1 28 28 GLY C C 28 174.198 174.198 174.016 0.182 18227 1215 1 4 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.462 1.413 18227 1216 1 4 . 1 1 28 28 GLY H H 28 8.051 8.051 7.881 0.170 18227 1217 1 4 . 1 1 29 29 ALA N N 29 121.719 121.719 123.009 -1.290 18227 1218 1 4 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.481 -0.070 18227 1219 1 4 . 1 1 29 29 ALA C C 29 177.554 177.554 176.639 0.915 18227 1220 1 4 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.329 0.756 18227 1221 1 4 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.305 0.469 18227 1222 1 4 . 1 1 29 29 ALA H H 29 7.749 7.749 7.524 0.225 18227 1223 1 4 . 1 1 30 30 LEU N N 30 118.220 118.220 111.839 6.381 18227 1224 1 4 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.500 0.046 18227 1225 1 4 . 1 1 30 30 LEU C C 30 176.978 176.978 177.109 -0.131 18227 1226 1 4 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.980 -0.313 18227 1227 1 4 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.138 0.619 18227 1228 1 4 . 1 1 30 30 LEU H H 30 7.660 7.660 7.502 0.158 18227 1229 1 4 . 1 1 31 31 ILE N N 31 118.934 118.934 121.515 -2.581 18227 1230 1 4 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.260 0.125 18227 1231 1 4 . 1 1 31 31 ILE C C 31 175.025 175.025 174.884 0.141 18227 1232 1 4 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.740 -2.064 18227 1233 1 4 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.149 2.422 18227 1234 1 4 . 1 1 31 31 ILE H H 31 7.446 7.446 7.642 -0.196 18227 1235 1 4 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.262 0.217 18227 1236 1 4 . 1 1 32 32 PRO C C 32 177.601 177.601 178.084 -0.483 18227 1237 1 4 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.447 -0.127 18227 1238 1 4 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.805 0.430 18227 1239 1 4 . 1 1 33 33 ALA N N 33 118.822 118.822 121.296 -2.474 18227 1240 1 4 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.095 0.272 18227 1241 1 4 . 1 1 33 33 ALA C C 33 179.269 179.269 179.536 -0.267 18227 1242 1 4 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.049 -0.232 18227 1243 1 4 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.271 -0.379 18227 1244 1 4 . 1 1 33 33 ALA H H 33 7.293 7.293 7.395 -0.102 18227 1245 1 4 . 1 1 34 34 ILE N N 34 116.953 116.953 119.468 -2.515 18227 1246 1 4 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.655 0.435 18227 1247 1 4 . 1 1 34 34 ILE C C 34 177.061 177.061 178.154 -1.093 18227 1248 1 4 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.384 -0.399 18227 1249 1 4 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.521 0.598 18227 1250 1 4 . 1 1 34 34 ILE H H 34 7.766 7.766 7.943 -0.177 18227 1251 1 4 . 1 1 35 35 TYR N N 35 118.432 118.432 118.460 -0.028 18227 1252 1 4 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.009 0.359 18227 1253 1 4 . 1 1 35 35 TYR C C 35 178.052 178.052 178.095 -0.043 18227 1254 1 4 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.344 -1.222 18227 1255 1 4 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.194 -0.258 18227 1256 1 4 . 1 1 35 35 TYR H H 35 7.988 7.988 7.726 0.262 18227 1257 1 4 . 1 1 36 36 MET N N 36 117.042 117.042 118.206 -1.164 18227 1258 1 4 . 1 1 36 36 MET HA H 36 4.534 4.534 4.202 0.332 18227 1259 1 4 . 1 1 36 36 MET C C 36 177.734 177.734 178.543 -0.809 18227 1260 1 4 . 1 1 36 36 MET CA C 36 58.272 58.272 57.704 0.568 18227 1261 1 4 . 1 1 36 36 MET CB C 36 31.979 31.979 32.003 -0.024 18227 1262 1 4 . 1 1 36 36 MET H H 36 7.934 7.934 8.199 -0.265 18227 1263 1 4 . 1 1 37 37 LEU N N 37 120.539 120.539 119.890 0.649 18227 1264 1 4 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.055 0.288 18227 1265 1 4 . 1 1 37 37 LEU C C 37 178.746 178.746 178.422 0.324 18227 1266 1 4 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.874 0.838 18227 1267 1 4 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.004 0.034 18227 1268 1 4 . 1 1 37 37 LEU H H 37 8.013 8.013 8.158 -0.145 18227 1269 1 4 . 1 1 38 38 VAL N N 38 117.729 117.729 117.073 0.656 18227 1270 1 4 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.885 -0.108 18227 1271 1 4 . 1 1 38 38 VAL C C 38 179.009 179.009 176.962 2.047 18227 1272 1 4 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.557 2.642 18227 1273 1 4 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.477 -0.812 18227 1274 1 4 . 1 1 38 38 VAL H H 38 8.360 8.360 7.654 0.706 18227 1275 1 4 . 1 1 39 39 PHE N N 39 120.549 120.549 123.111 -2.562 18227 1276 1 4 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.515 -0.090 18227 1277 1 4 . 1 1 39 39 PHE C C 39 179.129 179.129 176.533 2.596 18227 1278 1 4 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.202 0.320 18227 1279 1 4 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.605 -1.502 18227 1280 1 4 . 1 1 39 39 PHE H H 39 8.225 8.225 8.190 0.035 18227 1281 1 4 . 1 1 40 40 LEU N N 40 122.778 122.778 115.926 6.852 18227 1282 1 4 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.456 -0.289 18227 1283 1 4 . 1 1 40 40 LEU C C 40 180.673 180.673 176.810 3.863 18227 1284 1 4 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.148 1.490 18227 1285 1 4 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.084 1.080 18227 1286 1 4 . 1 1 40 40 LEU H H 40 8.874 8.874 8.257 0.617 18227 1287 1 4 . 1 1 41 41 LEU N N 41 122.144 122.144 119.114 3.030 18227 1288 1 4 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.484 -0.248 18227 1289 1 4 . 1 1 41 41 LEU C C 41 180.709 180.709 178.314 2.395 18227 1290 1 4 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.419 2.051 18227 1291 1 4 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.123 -1.345 18227 1292 1 4 . 1 1 41 41 LEU H H 41 9.193 9.193 7.579 1.614 18227 1293 1 4 . 1 1 42 42 GLY N N 42 107.124 107.124 104.127 2.997 18227 1294 1 4 . 1 1 42 42 GLY C C 42 176.537 176.537 174.592 1.945 18227 1295 1 4 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.867 0.866 18227 1296 1 4 . 1 1 42 42 GLY H H 42 8.755 8.755 7.780 0.975 18227 1297 1 4 . 1 1 43 43 THR N N 43 113.411 113.411 114.783 -1.372 18227 1298 1 4 . 1 1 43 43 THR HA H 43 4.299 4.299 4.471 -0.172 18227 1299 1 4 . 1 1 43 43 THR C C 43 176.797 176.797 173.805 2.992 18227 1300 1 4 . 1 1 43 43 THR CA C 43 64.990 64.990 60.895 4.095 18227 1301 1 4 . 1 1 43 43 THR CB C 43 69.731 69.731 68.749 0.982 18227 1302 1 4 . 1 1 43 43 THR H H 43 8.179 8.179 7.638 0.541 18227 1303 1 4 . 1 1 44 44 THR N N 44 114.667 114.667 117.120 -2.453 18227 1304 1 4 . 1 1 44 44 THR HA H 44 4.366 4.366 4.508 -0.142 18227 1305 1 4 . 1 1 44 44 THR C C 44 176.375 176.375 175.209 1.166 18227 1306 1 4 . 1 1 44 44 THR CA C 44 64.833 64.833 64.538 0.295 18227 1307 1 4 . 1 1 44 44 THR CB C 44 69.988 69.988 70.819 -0.831 18227 1308 1 4 . 1 1 44 44 THR H H 44 8.026 8.026 7.718 0.308 18227 1309 1 4 . 1 1 45 45 GLY N N 45 109.336 109.336 109.276 0.060 18227 1310 1 4 . 1 1 45 45 GLY C C 45 174.924 174.924 175.183 -0.259 18227 1311 1 4 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.977 1.750 18227 1312 1 4 . 1 1 45 45 GLY H H 45 8.261 8.261 8.060 0.201 18227 1313 1 4 . 1 1 46 46 ASN N N 46 117.547 117.547 120.210 -2.663 18227 1314 1 4 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.574 0.165 18227 1315 1 4 . 1 1 46 46 ASN C C 46 176.815 176.815 176.961 -0.146 18227 1316 1 4 . 1 1 46 46 ASN CA C 46 55.350 55.350 56.010 -0.660 18227 1317 1 4 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.338 0.155 18227 1318 1 4 . 1 1 46 46 ASN H H 46 8.083 8.083 7.988 0.095 18227 1319 1 4 . 1 1 47 47 GLY N N 47 106.960 106.960 108.696 -1.736 18227 1320 1 4 . 1 1 47 47 GLY C C 47 175.001 175.001 176.201 -1.200 18227 1321 1 4 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.615 0.372 18227 1322 1 4 . 1 1 47 47 GLY H H 47 8.318 8.318 8.341 -0.023 18227 1323 1 4 . 1 1 48 48 LEU N N 48 120.991 120.991 122.014 -1.023 18227 1324 1 4 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.108 0.381 18227 1325 1 4 . 1 1 48 48 LEU C C 48 180.375 180.375 178.810 1.565 18227 1326 1 4 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.864 0.384 18227 1327 1 4 . 1 1 48 48 LEU CB C 48 42.047 42.047 42.036 0.011 18227 1328 1 4 . 1 1 48 48 LEU H H 48 7.999 7.999 7.786 0.213 18227 1329 1 4 . 1 1 49 49 VAL N N 49 121.040 121.040 119.001 2.039 18227 1330 1 4 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.658 0.175 18227 1331 1 4 . 1 1 49 49 VAL C C 49 178.016 178.016 178.103 -0.087 18227 1332 1 4 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.927 0.290 18227 1333 1 4 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.446 0.494 18227 1334 1 4 . 1 1 49 49 VAL H H 49 7.989 7.989 7.426 0.563 18227 1335 1 4 . 1 1 50 50 LEU N N 50 119.986 119.986 119.242 0.744 18227 1336 1 4 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.061 0.136 18227 1337 1 4 . 1 1 50 50 LEU C C 50 178.823 178.823 179.555 -0.732 18227 1338 1 4 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.052 0.638 18227 1339 1 4 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.539 0.126 18227 1340 1 4 . 1 1 50 50 LEU H H 50 7.926 7.926 7.991 -0.065 18227 1341 1 4 . 1 1 51 51 TRP N N 51 117.842 117.842 120.790 -2.948 18227 1342 1 4 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.440 0.247 18227 1343 1 4 . 1 1 51 51 TRP C C 51 178.729 178.729 177.805 0.924 18227 1344 1 4 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.814 -0.434 18227 1345 1 4 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.059 -0.518 18227 1346 1 4 . 1 1 51 51 TRP H H 51 8.525 8.525 8.256 0.269 18227 1347 1 4 . 1 1 52 52 THR N N 52 114.722 114.722 116.035 -1.313 18227 1348 1 4 . 1 1 52 52 THR HA H 52 4.007 4.007 3.711 0.296 18227 1349 1 4 . 1 1 52 52 THR C C 52 176.228 176.228 177.226 -0.998 18227 1350 1 4 . 1 1 52 52 THR CA C 52 67.517 67.517 67.303 0.214 18227 1351 1 4 . 1 1 52 52 THR CB C 52 69.051 69.051 69.022 0.029 18227 1352 1 4 . 1 1 52 52 THR H H 52 8.248 8.248 8.617 -0.369 18227 1353 1 4 . 1 1 53 53 VAL N N 53 123.008 123.008 121.952 1.056 18227 1354 1 4 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.670 0.078 18227 1355 1 4 . 1 1 53 53 VAL C C 53 178.474 178.474 177.239 1.235 18227 1356 1 4 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.206 0.249 18227 1357 1 4 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.241 0.599 18227 1358 1 4 . 1 1 53 53 VAL H H 53 8.634 8.634 8.839 -0.205 18227 1359 1 4 . 1 1 54 54 PHE N N 54 119.554 119.554 118.259 1.295 18227 1360 1 4 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.092 0.318 18227 1361 1 4 . 1 1 54 54 PHE C C 54 179.173 179.173 177.030 2.143 18227 1362 1 4 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.669 -0.582 18227 1363 1 4 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.464 0.326 18227 1364 1 4 . 1 1 54 54 PHE H H 54 8.860 8.860 7.786 1.074 18227 1365 1 4 . 1 1 55 55 ARG N N 55 118.355 118.355 116.894 1.461 18227 1366 1 4 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.221 -0.101 18227 1367 1 4 . 1 1 55 55 ARG C C 55 178.719 178.719 176.651 2.068 18227 1368 1 4 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.370 1.606 18227 1369 1 4 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.632 -0.554 18227 1370 1 4 . 1 1 55 55 ARG H H 55 8.296 8.296 7.667 0.629 18227 1371 1 4 . 1 1 56 56 LYS N N 56 119.698 119.698 119.507 0.191 18227 1372 1 4 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.318 -0.025 18227 1373 1 4 . 1 1 56 56 LYS C C 56 178.742 178.742 177.764 0.978 18227 1374 1 4 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.935 1.116 18227 1375 1 4 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.666 -0.895 18227 1376 1 4 . 1 1 56 56 LYS H H 56 8.377 8.377 7.974 0.403 18227 1377 1 4 . 1 1 57 57 LYS N N 57 119.104 119.104 118.475 0.629 18227 1378 1 4 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.412 -0.067 18227 1379 1 4 . 1 1 57 57 LYS C C 57 178.311 178.311 177.362 0.949 18227 1380 1 4 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.608 0.524 18227 1381 1 4 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.558 -0.868 18227 1382 1 4 . 1 1 57 57 LYS H H 57 8.610 8.610 8.275 0.335 18227 1383 1 4 . 1 1 58 58 GLY N N 58 106.684 106.684 106.038 0.646 18227 1384 1 4 . 1 1 58 58 GLY C C 58 174.451 174.451 174.801 -0.350 18227 1385 1 4 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.673 0.240 18227 1386 1 4 . 1 1 58 58 GLY H H 58 8.154 8.154 7.296 0.858 18227 1387 1 4 . 1 1 59 59 HIS N N 59 116.995 116.995 118.181 -1.186 18227 1388 1 4 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.203 0.572 18227 1389 1 4 . 1 1 59 59 HIS C C 59 174.529 174.529 175.609 -1.080 18227 1390 1 4 . 1 1 59 59 HIS CA C 59 56.140 56.140 59.172 -3.032 18227 1391 1 4 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.860 -1.233 18227 1392 1 4 . 1 1 59 59 HIS H H 59 8.106 8.106 8.096 0.010 18227 1393 1 4 . 1 1 60 60 HIS N N 60 117.887 117.887 117.627 0.260 18227 1394 1 4 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.567 0.279 18227 1395 1 4 . 1 1 60 60 HIS C C 60 174.247 174.247 175.094 -0.847 18227 1396 1 4 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.917 0.990 18227 1397 1 4 . 1 1 60 60 HIS CB C 60 29.050 29.050 28.660 0.390 18227 1398 1 4 . 1 1 60 60 HIS H H 60 8.425 8.425 7.689 0.736 18227 1399 1 4 . 1 1 61 61 HIS N N 61 118.329 118.329 123.550 -5.221 18227 1400 1 4 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.431 0.442 18227 1401 1 4 . 1 1 61 61 HIS C C 61 174.139 174.139 175.790 -1.651 18227 1402 1 4 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.072 -1.278 18227 1403 1 4 . 1 1 61 61 HIS CB C 61 29.270 29.270 29.855 -0.585 18227 1404 1 4 . 1 1 61 61 HIS H H 61 8.573 8.573 8.058 0.515 18227 1405 1 4 . 1 1 62 62 HIS N N 62 118.968 118.968 115.594 3.374 18227 1406 1 4 . 1 1 62 62 HIS HA H 62 4.875 4.875 3.757 1.118 18227 1407 1 4 . 1 1 62 62 HIS C C 62 173.827 173.827 174.275 -0.448 18227 1408 1 4 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.522 -1.754 18227 1409 1 4 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.721 0.547 18227 1410 1 4 . 1 1 62 62 HIS H H 62 8.662 8.662 8.057 0.605 18227 1411 1 4 . 1 1 63 63 HIS N N 63 118.949 118.949 117.358 1.591 18227 1412 1 4 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.706 0.144 18227 1413 1 4 . 1 1 63 63 HIS C C 63 173.433 173.433 174.196 -0.763 18227 1414 1 4 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.019 0.770 18227 1415 1 4 . 1 1 63 63 HIS CB C 63 29.462 29.462 30.089 -0.627 18227 1416 1 4 . 1 1 63 63 HIS H H 63 8.518 8.518 7.912 0.606 18227 1417 1 5 . 1 1 2 2 GLU N N 2 122.322 122.322 123.538 -1.216 18227 1418 1 5 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.662 0.016 18227 1419 1 5 . 1 1 2 2 GLU C C 2 175.160 175.160 175.899 -0.739 18227 1420 1 5 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.848 -0.755 18227 1421 1 5 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.945 -1.770 18227 1422 1 5 . 1 1 2 2 GLU H H 2 8.641 8.641 9.007 -0.366 18227 1423 1 5 . 1 1 3 3 GLU N N 3 121.391 121.391 119.634 1.757 18227 1424 1 5 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.881 -0.251 18227 1425 1 5 . 1 1 3 3 GLU C C 3 176.097 176.097 175.874 0.223 18227 1426 1 5 . 1 1 3 3 GLU CA C 3 56.087 56.087 55.551 0.536 18227 1427 1 5 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.488 -1.304 18227 1428 1 5 . 1 1 3 3 GLU H H 3 8.448 8.448 8.791 -0.343 18227 1429 1 5 . 1 1 4 4 GLY N N 4 109.002 109.002 108.222 0.780 18227 1430 1 5 . 1 1 4 4 GLY C C 4 174.407 174.407 173.903 0.504 18227 1431 1 5 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.038 0.407 18227 1432 1 5 . 1 1 4 4 GLY H H 4 8.333 8.333 8.587 -0.254 18227 1433 1 5 . 1 1 5 5 GLY N N 5 107.419 107.419 108.133 -0.714 18227 1434 1 5 . 1 1 5 5 GLY C C 5 173.914 173.914 173.755 0.159 18227 1435 1 5 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.818 0.672 18227 1436 1 5 . 1 1 5 5 GLY H H 5 8.120 8.120 8.151 -0.031 18227 1437 1 5 . 1 1 6 6 ASP N N 6 117.918 117.918 120.593 -2.675 18227 1438 1 5 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.536 0.370 18227 1439 1 5 . 1 1 6 6 ASP C C 6 175.114 175.114 176.136 -1.022 18227 1440 1 5 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.458 -1.339 18227 1441 1 5 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.761 -2.801 18227 1442 1 5 . 1 1 6 6 ASP H H 6 8.204 8.204 8.563 -0.359 18227 1443 1 5 . 1 1 7 7 PHE N N 7 119.801 119.801 119.568 0.233 18227 1444 1 5 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.344 0.366 18227 1445 1 5 . 1 1 7 7 PHE C C 7 175.789 175.789 175.206 0.583 18227 1446 1 5 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.942 -0.266 18227 1447 1 5 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.945 -0.776 18227 1448 1 5 . 1 1 7 7 PHE H H 7 8.072 8.072 8.117 -0.045 18227 1449 1 5 . 1 1 8 8 ASP N N 8 117.963 117.963 123.368 -5.405 18227 1450 1 5 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.755 0.022 18227 1451 1 5 . 1 1 8 8 ASP C C 8 174.919 174.919 176.127 -1.208 18227 1452 1 5 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.935 -0.355 18227 1453 1 5 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.449 -2.725 18227 1454 1 5 . 1 1 8 8 ASP H H 8 8.184 8.184 8.530 -0.346 18227 1455 1 5 . 1 1 9 9 ASN N N 9 117.736 117.736 118.460 -0.724 18227 1456 1 5 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.433 0.357 18227 1457 1 5 . 1 1 9 9 ASN C C 9 174.974 174.974 175.876 -0.902 18227 1458 1 5 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.731 -0.995 18227 1459 1 5 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.685 0.885 18227 1460 1 5 . 1 1 9 9 ASN H H 9 8.080 8.080 8.453 -0.373 18227 1461 1 5 . 1 1 10 10 TYR N N 10 119.580 119.580 120.742 -1.162 18227 1462 1 5 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.184 0.442 18227 1463 1 5 . 1 1 10 10 TYR C C 10 175.935 175.935 176.776 -0.841 18227 1464 1 5 . 1 1 10 10 TYR CA C 10 58.779 58.779 60.324 -1.545 18227 1465 1 5 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.383 0.131 18227 1466 1 5 . 1 1 10 10 TYR H H 10 7.869 7.869 7.766 0.103 18227 1467 1 5 . 1 1 11 11 TYR N N 11 120.254 120.254 120.411 -0.157 18227 1468 1 5 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.191 0.428 18227 1469 1 5 . 1 1 11 11 TYR C C 11 176.666 176.666 174.899 1.767 18227 1470 1 5 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.220 -0.364 18227 1471 1 5 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.771 1.717 18227 1472 1 5 . 1 1 11 11 TYR H H 11 7.906 7.906 8.743 -0.837 18227 1473 1 5 . 1 1 12 12 GLY N N 12 108.226 108.226 104.468 3.758 18227 1474 1 5 . 1 1 12 12 GLY C C 12 174.314 174.314 173.725 0.589 18227 1475 1 5 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.561 0.219 18227 1476 1 5 . 1 1 12 12 GLY H H 12 7.817 7.817 7.883 -0.066 18227 1477 1 5 . 1 1 13 13 ALA N N 13 122.970 122.970 123.831 -0.861 18227 1478 1 5 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.385 0.085 18227 1479 1 5 . 1 1 13 13 ALA C C 13 178.137 178.137 177.369 0.768 18227 1480 1 5 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.687 -0.237 18227 1481 1 5 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.588 -0.905 18227 1482 1 5 . 1 1 13 13 ALA H H 13 7.913 7.913 8.474 -0.561 18227 1483 1 5 . 1 1 14 14 ASP N N 14 116.374 116.374 117.359 -0.985 18227 1484 1 5 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.578 0.297 18227 1485 1 5 . 1 1 14 14 ASP C C 14 175.450 175.450 177.368 -1.918 18227 1486 1 5 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.555 -0.915 18227 1487 1 5 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.657 -2.795 18227 1488 1 5 . 1 1 14 14 ASP H H 14 8.348 8.348 8.256 0.092 18227 1489 1 5 . 1 1 15 15 ASN N N 15 118.423 118.423 118.224 0.199 18227 1490 1 5 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.271 0.599 18227 1491 1 5 . 1 1 15 15 ASN C C 15 176.054 176.054 176.698 -0.644 18227 1492 1 5 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.682 -1.254 18227 1493 1 5 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.400 0.282 18227 1494 1 5 . 1 1 15 15 ASN H H 15 8.272 8.272 8.653 -0.381 18227 1495 1 5 . 1 1 16 16 GLN N N 16 120.129 120.129 116.917 3.212 18227 1496 1 5 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.218 0.198 18227 1497 1 5 . 1 1 16 16 GLN C C 16 177.337 177.337 176.579 0.758 18227 1498 1 5 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.650 0.606 18227 1499 1 5 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.909 -0.125 18227 1500 1 5 . 1 1 16 16 GLN H H 16 8.481 8.481 8.227 0.254 18227 1501 1 5 . 1 1 17 17 SER N N 17 115.051 115.051 116.515 -1.464 18227 1502 1 5 . 1 1 17 17 SER HA H 17 4.505 4.505 4.504 0.001 18227 1503 1 5 . 1 1 17 17 SER C C 17 175.596 175.596 176.639 -1.043 18227 1504 1 5 . 1 1 17 17 SER CA C 17 60.767 60.767 60.899 -0.132 18227 1505 1 5 . 1 1 17 17 SER CB C 17 63.325 63.325 64.550 -1.225 18227 1506 1 5 . 1 1 17 17 SER H H 17 8.380 8.380 8.171 0.209 18227 1507 1 5 . 1 1 18 18 GLU N N 18 120.901 120.901 122.247 -1.346 18227 1508 1 5 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.156 0.303 18227 1509 1 5 . 1 1 18 18 GLU C C 18 177.867 177.867 179.010 -1.143 18227 1510 1 5 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.941 -0.718 18227 1511 1 5 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.293 -0.228 18227 1512 1 5 . 1 1 18 18 GLU H H 18 8.233 8.233 8.356 -0.123 18227 1513 1 5 . 1 1 19 19 CYS N N 19 118.899 118.899 118.936 -0.037 18227 1514 1 5 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.275 0.201 18227 1515 1 5 . 1 1 19 19 CYS C C 19 175.896 175.896 175.951 -0.055 18227 1516 1 5 . 1 1 19 19 CYS CA C 19 61.262 61.262 60.698 0.564 18227 1517 1 5 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.791 0.268 18227 1518 1 5 . 1 1 19 19 CYS H H 19 8.245 8.245 8.192 0.053 18227 1519 1 5 . 1 1 20 20 GLU N N 20 120.324 120.324 118.432 1.892 18227 1520 1 5 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.359 -0.032 18227 1521 1 5 . 1 1 20 20 GLU C C 20 177.163 177.163 176.791 0.372 18227 1522 1 5 . 1 1 20 20 GLU CA C 20 58.372 58.372 56.530 1.842 18227 1523 1 5 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.518 -0.474 18227 1524 1 5 . 1 1 20 20 GLU H H 20 8.299 8.299 8.649 -0.350 18227 1525 1 5 . 1 1 21 21 TYR N N 21 118.601 118.601 123.121 -4.520 18227 1526 1 5 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.388 0.217 18227 1527 1 5 . 1 1 21 21 TYR C C 21 177.166 177.166 176.820 0.346 18227 1528 1 5 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.903 -2.497 18227 1529 1 5 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.577 -0.098 18227 1530 1 5 . 1 1 21 21 TYR H H 21 8.165 8.165 7.810 0.355 18227 1531 1 5 . 1 1 22 22 THR N N 22 112.362 112.362 111.273 1.089 18227 1532 1 5 . 1 1 22 22 THR HA H 22 4.203 4.203 4.179 0.024 18227 1533 1 5 . 1 1 22 22 THR C C 22 176.226 176.226 175.899 0.327 18227 1534 1 5 . 1 1 22 22 THR CA C 22 64.825 64.825 65.318 -0.493 18227 1535 1 5 . 1 1 22 22 THR CB C 22 69.471 69.471 68.232 1.239 18227 1536 1 5 . 1 1 22 22 THR H H 22 8.063 8.063 8.534 -0.471 18227 1537 1 5 . 1 1 23 23 ASP N N 23 121.414 121.414 120.803 0.611 18227 1538 1 5 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.602 0.141 18227 1539 1 5 . 1 1 23 23 ASP C C 23 176.664 176.664 177.504 -0.840 18227 1540 1 5 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.867 -0.708 18227 1541 1 5 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.243 -3.768 18227 1542 1 5 . 1 1 23 23 ASP H H 23 8.355 8.355 7.923 0.432 18227 1543 1 5 . 1 1 24 24 TRP N N 24 121.858 121.858 122.838 -0.980 18227 1544 1 5 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.033 0.607 18227 1545 1 5 . 1 1 24 24 TRP C C 24 178.311 178.311 177.653 0.658 18227 1546 1 5 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.632 -1.988 18227 1547 1 5 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.313 -0.570 18227 1548 1 5 . 1 1 24 24 TRP H H 24 8.363 8.363 8.563 -0.200 18227 1549 1 5 . 1 1 25 25 LYS N N 25 120.099 120.099 116.757 3.342 18227 1550 1 5 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.914 1.162 18227 1551 1 5 . 1 1 25 25 LYS C C 25 177.946 177.946 178.331 -0.385 18227 1552 1 5 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.442 -0.308 18227 1553 1 5 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.735 0.534 18227 1554 1 5 . 1 1 25 25 LYS H H 25 8.291 8.291 7.452 0.839 18227 1555 1 5 . 1 1 26 26 SER N N 26 113.558 113.558 114.042 -0.484 18227 1556 1 5 . 1 1 26 26 SER HA H 26 4.541 4.541 4.390 0.151 18227 1557 1 5 . 1 1 26 26 SER C C 26 175.212 175.212 175.782 -0.570 18227 1558 1 5 . 1 1 26 26 SER CA C 26 59.813 59.813 60.456 -0.643 18227 1559 1 5 . 1 1 26 26 SER CB C 26 63.672 63.672 63.967 -0.295 18227 1560 1 5 . 1 1 26 26 SER H H 26 8.088 8.088 7.783 0.305 18227 1561 1 5 . 1 1 27 27 SER N N 27 116.456 116.456 115.949 0.507 18227 1562 1 5 . 1 1 27 27 SER HA H 27 4.534 4.534 4.412 0.122 18227 1563 1 5 . 1 1 27 27 SER C C 27 175.216 175.216 174.776 0.440 18227 1564 1 5 . 1 1 27 27 SER CA C 27 60.042 60.042 59.526 0.516 18227 1565 1 5 . 1 1 27 27 SER CB C 27 63.782 63.782 63.392 0.390 18227 1566 1 5 . 1 1 27 27 SER H H 27 8.025 8.025 8.399 -0.374 18227 1567 1 5 . 1 1 28 28 GLY N N 28 108.769 108.769 107.752 1.017 18227 1568 1 5 . 1 1 28 28 GLY C C 28 174.198 174.198 172.961 1.237 18227 1569 1 5 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.470 1.405 18227 1570 1 5 . 1 1 28 28 GLY H H 28 8.051 8.051 7.654 0.397 18227 1571 1 5 . 1 1 29 29 ALA N N 29 121.719 121.719 121.877 -0.158 18227 1572 1 5 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.453 -0.042 18227 1573 1 5 . 1 1 29 29 ALA C C 29 177.554 177.554 176.695 0.859 18227 1574 1 5 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.311 -0.226 18227 1575 1 5 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.568 -0.794 18227 1576 1 5 . 1 1 29 29 ALA H H 29 7.749 7.749 7.713 0.036 18227 1577 1 5 . 1 1 30 30 LEU N N 30 118.220 118.220 113.861 4.359 18227 1578 1 5 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.541 0.005 18227 1579 1 5 . 1 1 30 30 LEU C C 30 176.978 176.978 177.722 -0.744 18227 1580 1 5 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.036 -0.369 18227 1581 1 5 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.182 0.574 18227 1582 1 5 . 1 1 30 30 LEU H H 30 7.660 7.660 7.588 0.072 18227 1583 1 5 . 1 1 31 31 ILE N N 31 118.934 118.934 120.047 -1.113 18227 1584 1 5 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.173 0.212 18227 1585 1 5 . 1 1 31 31 ILE C C 31 175.025 175.025 174.991 0.034 18227 1586 1 5 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.854 -3.178 18227 1587 1 5 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.417 2.154 18227 1588 1 5 . 1 1 31 31 ILE H H 31 7.446 7.446 8.294 -0.848 18227 1589 1 5 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.301 0.178 18227 1590 1 5 . 1 1 32 32 PRO C C 32 177.601 177.601 178.197 -0.596 18227 1591 1 5 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.910 -0.590 18227 1592 1 5 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.740 0.495 18227 1593 1 5 . 1 1 33 33 ALA N N 33 118.822 118.822 121.941 -3.119 18227 1594 1 5 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.130 0.237 18227 1595 1 5 . 1 1 33 33 ALA C C 33 179.269 179.269 179.948 -0.679 18227 1596 1 5 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.001 -0.183 18227 1597 1 5 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.312 -0.420 18227 1598 1 5 . 1 1 33 33 ALA H H 33 7.293 7.293 8.164 -0.871 18227 1599 1 5 . 1 1 34 34 ILE N N 34 116.953 116.953 119.067 -2.114 18227 1600 1 5 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.634 0.456 18227 1601 1 5 . 1 1 34 34 ILE C C 34 177.061 177.061 178.418 -1.357 18227 1602 1 5 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.011 -1.026 18227 1603 1 5 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.090 1.029 18227 1604 1 5 . 1 1 34 34 ILE H H 34 7.766 7.766 7.869 -0.103 18227 1605 1 5 . 1 1 35 35 TYR N N 35 118.432 118.432 119.006 -0.574 18227 1606 1 5 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.046 0.322 18227 1607 1 5 . 1 1 35 35 TYR C C 35 178.052 178.052 178.663 -0.611 18227 1608 1 5 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.497 -1.375 18227 1609 1 5 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.345 -0.409 18227 1610 1 5 . 1 1 35 35 TYR H H 35 7.988 7.988 7.834 0.154 18227 1611 1 5 . 1 1 36 36 MET N N 36 117.042 117.042 117.866 -0.824 18227 1612 1 5 . 1 1 36 36 MET HA H 36 4.534 4.534 4.232 0.302 18227 1613 1 5 . 1 1 36 36 MET C C 36 177.734 177.734 178.904 -1.170 18227 1614 1 5 . 1 1 36 36 MET CA C 36 58.272 58.272 57.801 0.471 18227 1615 1 5 . 1 1 36 36 MET CB C 36 31.979 31.979 32.069 -0.090 18227 1616 1 5 . 1 1 36 36 MET H H 36 7.934 7.934 8.670 -0.736 18227 1617 1 5 . 1 1 37 37 LEU N N 37 120.539 120.539 119.429 1.110 18227 1618 1 5 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.051 0.292 18227 1619 1 5 . 1 1 37 37 LEU C C 37 178.746 178.746 178.315 0.431 18227 1620 1 5 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.101 0.611 18227 1621 1 5 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.919 0.119 18227 1622 1 5 . 1 1 37 37 LEU H H 37 8.013 8.013 8.755 -0.742 18227 1623 1 5 . 1 1 38 38 VAL N N 38 117.729 117.729 116.652 1.077 18227 1624 1 5 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.000 -0.223 18227 1625 1 5 . 1 1 38 38 VAL C C 38 179.009 179.009 177.245 1.764 18227 1626 1 5 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.674 2.526 18227 1627 1 5 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.293 -0.628 18227 1628 1 5 . 1 1 38 38 VAL H H 38 8.360 8.360 7.663 0.697 18227 1629 1 5 . 1 1 39 39 PHE N N 39 120.549 120.549 122.640 -2.091 18227 1630 1 5 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.207 0.218 18227 1631 1 5 . 1 1 39 39 PHE C C 39 179.129 179.129 176.644 2.485 18227 1632 1 5 . 1 1 39 39 PHE CA C 39 61.522 61.522 62.804 -1.282 18227 1633 1 5 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.741 -0.638 18227 1634 1 5 . 1 1 39 39 PHE H H 39 8.225 8.225 8.329 -0.104 18227 1635 1 5 . 1 1 40 40 LEU N N 40 122.778 122.778 118.502 4.276 18227 1636 1 5 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.131 0.036 18227 1637 1 5 . 1 1 40 40 LEU C C 40 180.673 180.673 178.499 2.174 18227 1638 1 5 . 1 1 40 40 LEU CA C 40 58.638 58.638 58.234 0.404 18227 1639 1 5 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.166 0.998 18227 1640 1 5 . 1 1 40 40 LEU H H 40 8.874 8.874 8.428 0.446 18227 1641 1 5 . 1 1 41 41 LEU N N 41 122.144 122.144 119.778 2.366 18227 1642 1 5 . 1 1 41 41 LEU HA H 41 4.236 4.236 3.857 0.379 18227 1643 1 5 . 1 1 41 41 LEU C C 41 180.709 180.709 179.164 1.545 18227 1644 1 5 . 1 1 41 41 LEU CA C 41 58.470 58.470 57.768 0.702 18227 1645 1 5 . 1 1 41 41 LEU CB C 41 41.778 41.778 41.458 0.320 18227 1646 1 5 . 1 1 41 41 LEU H H 41 9.193 9.193 7.533 1.660 18227 1647 1 5 . 1 1 42 42 GLY N N 42 107.124 107.124 104.987 2.137 18227 1648 1 5 . 1 1 42 42 GLY C C 42 176.537 176.537 175.976 0.561 18227 1649 1 5 . 1 1 42 42 GLY CA C 42 46.733 46.733 47.233 -0.500 18227 1650 1 5 . 1 1 42 42 GLY H H 42 8.755 8.755 7.713 1.042 18227 1651 1 5 . 1 1 43 43 THR N N 43 113.411 113.411 116.588 -3.177 18227 1652 1 5 . 1 1 43 43 THR HA H 43 4.299 4.299 3.840 0.459 18227 1653 1 5 . 1 1 43 43 THR C C 43 176.797 176.797 175.820 0.977 18227 1654 1 5 . 1 1 43 43 THR CA C 43 64.990 64.990 66.673 -1.683 18227 1655 1 5 . 1 1 43 43 THR CB C 43 69.731 69.731 68.483 1.248 18227 1656 1 5 . 1 1 43 43 THR H H 43 8.179 8.179 7.855 0.324 18227 1657 1 5 . 1 1 44 44 THR N N 44 114.667 114.667 114.990 -0.323 18227 1658 1 5 . 1 1 44 44 THR HA H 44 4.366 4.366 4.440 -0.074 18227 1659 1 5 . 1 1 44 44 THR C C 44 176.375 176.375 175.465 0.910 18227 1660 1 5 . 1 1 44 44 THR CA C 44 64.833 64.833 63.856 0.977 18227 1661 1 5 . 1 1 44 44 THR CB C 44 69.988 69.988 69.672 0.316 18227 1662 1 5 . 1 1 44 44 THR H H 44 8.026 8.026 7.504 0.522 18227 1663 1 5 . 1 1 45 45 GLY N N 45 109.336 109.336 108.830 0.506 18227 1664 1 5 . 1 1 45 45 GLY C C 45 174.924 174.924 174.417 0.507 18227 1665 1 5 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.296 1.431 18227 1666 1 5 . 1 1 45 45 GLY H H 45 8.261 8.261 8.164 0.097 18227 1667 1 5 . 1 1 46 46 ASN N N 46 117.547 117.547 118.074 -0.527 18227 1668 1 5 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.841 -0.102 18227 1669 1 5 . 1 1 46 46 ASN C C 46 176.815 176.815 177.120 -0.305 18227 1670 1 5 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.356 0.994 18227 1671 1 5 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.872 -1.379 18227 1672 1 5 . 1 1 46 46 ASN H H 46 8.083 8.083 8.314 -0.231 18227 1673 1 5 . 1 1 47 47 GLY N N 47 106.960 106.960 109.131 -2.171 18227 1674 1 5 . 1 1 47 47 GLY C C 47 175.001 175.001 175.941 -0.940 18227 1675 1 5 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.058 -0.071 18227 1676 1 5 . 1 1 47 47 GLY H H 47 8.318 8.318 7.827 0.491 18227 1677 1 5 . 1 1 48 48 LEU N N 48 120.991 120.991 122.712 -1.721 18227 1678 1 5 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.017 0.472 18227 1679 1 5 . 1 1 48 48 LEU C C 48 180.375 180.375 178.625 1.750 18227 1680 1 5 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.560 0.688 18227 1681 1 5 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.779 0.268 18227 1682 1 5 . 1 1 48 48 LEU H H 48 7.999 7.999 7.680 0.319 18227 1683 1 5 . 1 1 49 49 VAL N N 49 121.040 121.040 118.214 2.826 18227 1684 1 5 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.645 0.188 18227 1685 1 5 . 1 1 49 49 VAL C C 49 178.016 178.016 177.988 0.028 18227 1686 1 5 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.713 0.504 18227 1687 1 5 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.866 0.074 18227 1688 1 5 . 1 1 49 49 VAL H H 49 7.989 7.989 7.603 0.386 18227 1689 1 5 . 1 1 50 50 LEU N N 50 119.986 119.986 119.391 0.595 18227 1690 1 5 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.901 0.296 18227 1691 1 5 . 1 1 50 50 LEU C C 50 178.823 178.823 179.232 -0.409 18227 1692 1 5 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.822 0.868 18227 1693 1 5 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.487 0.178 18227 1694 1 5 . 1 1 50 50 LEU H H 50 7.926 7.926 7.698 0.228 18227 1695 1 5 . 1 1 51 51 TRP N N 51 117.842 117.842 120.645 -2.803 18227 1696 1 5 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.271 0.416 18227 1697 1 5 . 1 1 51 51 TRP C C 51 178.729 178.729 178.326 0.403 18227 1698 1 5 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.140 -0.760 18227 1699 1 5 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.654 -0.113 18227 1700 1 5 . 1 1 51 51 TRP H H 51 8.525 8.525 8.598 -0.073 18227 1701 1 5 . 1 1 52 52 THR N N 52 114.722 114.722 117.156 -2.434 18227 1702 1 5 . 1 1 52 52 THR HA H 52 4.007 4.007 3.714 0.293 18227 1703 1 5 . 1 1 52 52 THR C C 52 176.228 176.228 176.488 -0.260 18227 1704 1 5 . 1 1 52 52 THR CA C 52 67.517 67.517 67.325 0.192 18227 1705 1 5 . 1 1 52 52 THR CB C 52 69.051 69.051 68.784 0.267 18227 1706 1 5 . 1 1 52 52 THR H H 52 8.248 8.248 8.543 -0.295 18227 1707 1 5 . 1 1 53 53 VAL N N 53 123.008 123.008 121.104 1.904 18227 1708 1 5 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.570 0.178 18227 1709 1 5 . 1 1 53 53 VAL C C 53 178.474 178.474 177.733 0.741 18227 1710 1 5 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.790 0.665 18227 1711 1 5 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.730 0.110 18227 1712 1 5 . 1 1 53 53 VAL H H 53 8.634 8.634 8.516 0.118 18227 1713 1 5 . 1 1 54 54 PHE N N 54 119.554 119.554 119.034 0.520 18227 1714 1 5 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.164 0.246 18227 1715 1 5 . 1 1 54 54 PHE C C 54 179.173 179.173 177.952 1.221 18227 1716 1 5 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.520 -0.433 18227 1717 1 5 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.457 0.333 18227 1718 1 5 . 1 1 54 54 PHE H H 54 8.860 8.860 7.639 1.221 18227 1719 1 5 . 1 1 55 55 ARG N N 55 118.355 118.355 117.175 1.180 18227 1720 1 5 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.953 0.167 18227 1721 1 5 . 1 1 55 55 ARG C C 55 178.719 178.719 178.373 0.346 18227 1722 1 5 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.673 0.303 18227 1723 1 5 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.676 0.402 18227 1724 1 5 . 1 1 55 55 ARG H H 55 8.296 8.296 7.613 0.683 18227 1725 1 5 . 1 1 56 56 LYS N N 56 119.698 119.698 120.175 -0.477 18227 1726 1 5 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.208 0.085 18227 1727 1 5 . 1 1 56 56 LYS C C 56 178.742 178.742 177.938 0.804 18227 1728 1 5 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.845 0.206 18227 1729 1 5 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.687 0.084 18227 1730 1 5 . 1 1 56 56 LYS H H 56 8.377 8.377 8.241 0.136 18227 1731 1 5 . 1 1 57 57 LYS N N 57 119.104 119.104 117.325 1.779 18227 1732 1 5 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.208 0.137 18227 1733 1 5 . 1 1 57 57 LYS C C 57 178.311 178.311 179.195 -0.884 18227 1734 1 5 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.587 -0.455 18227 1735 1 5 . 1 1 57 57 LYS CB C 57 32.690 32.690 31.975 0.715 18227 1736 1 5 . 1 1 57 57 LYS H H 57 8.610 8.610 8.264 0.346 18227 1737 1 5 . 1 1 58 58 GLY N N 58 106.684 106.684 107.814 -1.130 18227 1738 1 5 . 1 1 58 58 GLY C C 58 174.451 174.451 175.230 -0.779 18227 1739 1 5 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.525 -0.612 18227 1740 1 5 . 1 1 58 58 GLY H H 58 8.154 8.154 8.263 -0.109 18227 1741 1 5 . 1 1 59 59 HIS N N 59 116.995 116.995 120.403 -3.408 18227 1742 1 5 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.344 0.431 18227 1743 1 5 . 1 1 59 59 HIS C C 59 174.529 174.529 175.427 -0.898 18227 1744 1 5 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.731 -1.591 18227 1745 1 5 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.031 -0.404 18227 1746 1 5 . 1 1 59 59 HIS H H 59 8.106 8.106 7.709 0.397 18227 1747 1 5 . 1 1 60 60 HIS N N 60 117.887 117.887 117.878 0.009 18227 1748 1 5 . 1 1 60 60 HIS HA H 60 4.846 4.846 3.906 0.940 18227 1749 1 5 . 1 1 60 60 HIS C C 60 174.247 174.247 174.694 -0.447 18227 1750 1 5 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.528 0.379 18227 1751 1 5 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.848 -0.798 18227 1752 1 5 . 1 1 60 60 HIS H H 60 8.425 8.425 7.539 0.886 18227 1753 1 5 . 1 1 61 61 HIS N N 61 118.329 118.329 117.304 1.025 18227 1754 1 5 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.346 0.527 18227 1755 1 5 . 1 1 61 61 HIS C C 61 174.139 174.139 174.687 -0.548 18227 1756 1 5 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.842 0.952 18227 1757 1 5 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.114 -1.844 18227 1758 1 5 . 1 1 61 61 HIS H H 61 8.573 8.573 7.812 0.761 18227 1759 1 5 . 1 1 62 62 HIS N N 62 118.968 118.968 118.508 0.460 18227 1760 1 5 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.279 0.596 18227 1761 1 5 . 1 1 62 62 HIS C C 62 173.827 173.827 176.381 -2.554 18227 1762 1 5 . 1 1 62 62 HIS CA C 62 55.768 55.768 58.001 -2.233 18227 1763 1 5 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.801 -0.533 18227 1764 1 5 . 1 1 62 62 HIS H H 62 8.662 8.662 8.585 0.077 18227 1765 1 5 . 1 1 63 63 HIS N N 63 118.949 118.949 118.605 0.344 18227 1766 1 5 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.616 0.234 18227 1767 1 5 . 1 1 63 63 HIS C C 63 173.433 173.433 174.112 -0.679 18227 1768 1 5 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.286 0.503 18227 1769 1 5 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.251 1.211 18227 1770 1 5 . 1 1 63 63 HIS H H 63 8.518 8.518 8.548 -0.030 18227 1771 1 6 . 1 1 2 2 GLU N N 2 122.322 122.322 121.479 0.843 18227 1772 1 6 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.938 -0.260 18227 1773 1 6 . 1 1 2 2 GLU C C 2 175.160 175.160 175.045 0.115 18227 1774 1 6 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.621 -0.528 18227 1775 1 6 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.670 -1.495 18227 1776 1 6 . 1 1 2 2 GLU H H 2 8.641 8.641 8.982 -0.341 18227 1777 1 6 . 1 1 3 3 GLU N N 3 121.391 121.391 117.732 3.659 18227 1778 1 6 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.812 -0.182 18227 1779 1 6 . 1 1 3 3 GLU C C 3 176.097 176.097 174.601 1.496 18227 1780 1 6 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.223 -0.136 18227 1781 1 6 . 1 1 3 3 GLU CB C 3 29.184 29.184 31.504 -2.320 18227 1782 1 6 . 1 1 3 3 GLU H H 3 8.448 8.448 8.831 -0.383 18227 1783 1 6 . 1 1 4 4 GLY N N 4 109.002 109.002 109.259 -0.257 18227 1784 1 6 . 1 1 4 4 GLY C C 4 174.407 174.407 173.526 0.881 18227 1785 1 6 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.322 0.124 18227 1786 1 6 . 1 1 4 4 GLY H H 4 8.333 8.333 8.853 -0.520 18227 1787 1 6 . 1 1 5 5 GLY N N 5 107.419 107.419 108.973 -1.554 18227 1788 1 6 . 1 1 5 5 GLY C C 5 173.914 173.914 173.451 0.463 18227 1789 1 6 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.008 0.482 18227 1790 1 6 . 1 1 5 5 GLY H H 5 8.120 8.120 8.310 -0.190 18227 1791 1 6 . 1 1 6 6 ASP N N 6 117.918 117.918 119.619 -1.701 18227 1792 1 6 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.748 0.158 18227 1793 1 6 . 1 1 6 6 ASP C C 6 175.114 175.114 175.139 -0.025 18227 1794 1 6 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.364 -0.245 18227 1795 1 6 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.364 -3.405 18227 1796 1 6 . 1 1 6 6 ASP H H 6 8.204 8.204 7.607 0.597 18227 1797 1 6 . 1 1 7 7 PHE N N 7 119.801 119.801 119.698 0.103 18227 1798 1 6 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.803 -0.093 18227 1799 1 6 . 1 1 7 7 PHE C C 7 175.789 175.789 176.411 -0.622 18227 1800 1 6 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.369 1.307 18227 1801 1 6 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.983 -0.813 18227 1802 1 6 . 1 1 7 7 PHE H H 7 8.072 8.072 7.894 0.178 18227 1803 1 6 . 1 1 8 8 ASP N N 8 117.963 117.963 119.876 -1.913 18227 1804 1 6 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.685 0.092 18227 1805 1 6 . 1 1 8 8 ASP C C 8 174.919 174.919 175.432 -0.513 18227 1806 1 6 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.450 -0.869 18227 1807 1 6 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.934 -2.211 18227 1808 1 6 . 1 1 8 8 ASP H H 8 8.184 8.184 8.630 -0.446 18227 1809 1 6 . 1 1 9 9 ASN N N 9 117.736 117.736 117.427 0.309 18227 1810 1 6 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.555 0.235 18227 1811 1 6 . 1 1 9 9 ASN C C 9 174.974 174.974 176.109 -1.135 18227 1812 1 6 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.652 0.084 18227 1813 1 6 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.532 0.037 18227 1814 1 6 . 1 1 9 9 ASN H H 9 8.080 8.080 7.953 0.127 18227 1815 1 6 . 1 1 10 10 TYR N N 10 119.580 119.580 115.539 4.041 18227 1816 1 6 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.171 0.455 18227 1817 1 6 . 1 1 10 10 TYR C C 10 175.935 175.935 174.402 1.533 18227 1818 1 6 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.923 -1.144 18227 1819 1 6 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.167 1.347 18227 1820 1 6 . 1 1 10 10 TYR H H 10 7.869 7.869 8.900 -1.031 18227 1821 1 6 . 1 1 11 11 TYR N N 11 120.254 120.254 118.464 1.790 18227 1822 1 6 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.467 0.152 18227 1823 1 6 . 1 1 11 11 TYR C C 11 176.666 176.666 174.311 2.355 18227 1824 1 6 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.793 0.063 18227 1825 1 6 . 1 1 11 11 TYR CB C 11 38.488 38.488 38.969 -0.481 18227 1826 1 6 . 1 1 11 11 TYR H H 11 7.906 7.906 7.864 0.042 18227 1827 1 6 . 1 1 12 12 GLY N N 12 108.226 108.226 105.526 2.700 18227 1828 1 6 . 1 1 12 12 GLY C C 12 174.314 174.314 173.273 1.041 18227 1829 1 6 . 1 1 12 12 GLY CA C 12 45.780 45.780 46.141 -0.361 18227 1830 1 6 . 1 1 12 12 GLY H H 12 7.817 7.817 8.100 -0.283 18227 1831 1 6 . 1 1 13 13 ALA N N 13 122.970 122.970 121.712 1.258 18227 1832 1 6 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.651 -0.181 18227 1833 1 6 . 1 1 13 13 ALA C C 13 178.137 178.137 177.352 0.785 18227 1834 1 6 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.014 1.436 18227 1835 1 6 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.033 -1.350 18227 1836 1 6 . 1 1 13 13 ALA H H 13 7.913 7.913 8.008 -0.095 18227 1837 1 6 . 1 1 14 14 ASP N N 14 116.374 116.374 118.706 -2.332 18227 1838 1 6 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.662 0.213 18227 1839 1 6 . 1 1 14 14 ASP C C 14 175.450 175.450 177.014 -1.564 18227 1840 1 6 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.624 -1.984 18227 1841 1 6 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.904 -3.042 18227 1842 1 6 . 1 1 14 14 ASP H H 14 8.348 8.348 8.219 0.129 18227 1843 1 6 . 1 1 15 15 ASN N N 15 118.423 118.423 117.902 0.521 18227 1844 1 6 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.367 0.503 18227 1845 1 6 . 1 1 15 15 ASN C C 15 176.054 176.054 176.914 -0.860 18227 1846 1 6 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.433 -2.005 18227 1847 1 6 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.245 0.437 18227 1848 1 6 . 1 1 15 15 ASN H H 15 8.272 8.272 8.618 -0.346 18227 1849 1 6 . 1 1 16 16 GLN N N 16 120.129 120.129 115.892 4.237 18227 1850 1 6 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.266 0.150 18227 1851 1 6 . 1 1 16 16 GLN C C 16 177.337 177.337 177.507 -0.170 18227 1852 1 6 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.407 -0.151 18227 1853 1 6 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.340 0.444 18227 1854 1 6 . 1 1 16 16 GLN H H 16 8.481 8.481 8.470 0.011 18227 1855 1 6 . 1 1 17 17 SER N N 17 115.051 115.051 116.421 -1.370 18227 1856 1 6 . 1 1 17 17 SER HA H 17 4.505 4.505 4.219 0.286 18227 1857 1 6 . 1 1 17 17 SER C C 17 175.596 175.596 176.614 -1.018 18227 1858 1 6 . 1 1 17 17 SER CA C 17 60.767 60.767 61.179 -0.413 18227 1859 1 6 . 1 1 17 17 SER CB C 17 63.325 63.325 62.904 0.421 18227 1860 1 6 . 1 1 17 17 SER H H 17 8.380 8.380 7.479 0.901 18227 1861 1 6 . 1 1 18 18 GLU N N 18 120.901 120.901 123.117 -2.216 18227 1862 1 6 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.977 0.482 18227 1863 1 6 . 1 1 18 18 GLU C C 18 177.867 177.867 178.413 -0.546 18227 1864 1 6 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.832 -1.609 18227 1865 1 6 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.784 -1.718 18227 1866 1 6 . 1 1 18 18 GLU H H 18 8.233 8.233 8.538 -0.305 18227 1867 1 6 . 1 1 19 19 CYS N N 19 118.899 118.899 115.247 3.652 18227 1868 1 6 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.202 0.274 18227 1869 1 6 . 1 1 19 19 CYS C C 19 175.896 175.896 176.748 -0.852 18227 1870 1 6 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.859 -1.597 18227 1871 1 6 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.823 0.236 18227 1872 1 6 . 1 1 19 19 CYS H H 19 8.245 8.245 8.356 -0.111 18227 1873 1 6 . 1 1 20 20 GLU N N 20 120.324 120.324 119.173 1.151 18227 1874 1 6 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.294 0.033 18227 1875 1 6 . 1 1 20 20 GLU C C 20 177.163 177.163 177.897 -0.734 18227 1876 1 6 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.580 -0.208 18227 1877 1 6 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.892 -1.848 18227 1878 1 6 . 1 1 20 20 GLU H H 20 8.299 8.299 7.711 0.588 18227 1879 1 6 . 1 1 21 21 TYR N N 21 118.601 118.601 120.959 -2.358 18227 1880 1 6 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.502 0.103 18227 1881 1 6 . 1 1 21 21 TYR C C 21 177.166 177.166 177.813 -0.647 18227 1882 1 6 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.577 -1.171 18227 1883 1 6 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.680 -0.202 18227 1884 1 6 . 1 1 21 21 TYR H H 21 8.165 8.165 8.684 -0.519 18227 1885 1 6 . 1 1 22 22 THR N N 22 112.362 112.362 112.768 -0.406 18227 1886 1 6 . 1 1 22 22 THR HA H 22 4.203 4.203 4.116 0.087 18227 1887 1 6 . 1 1 22 22 THR C C 22 176.226 176.226 174.409 1.817 18227 1888 1 6 . 1 1 22 22 THR CA C 22 64.825 64.825 64.555 0.270 18227 1889 1 6 . 1 1 22 22 THR CB C 22 69.471 69.471 68.867 0.604 18227 1890 1 6 . 1 1 22 22 THR H H 22 8.063 8.063 8.114 -0.051 18227 1891 1 6 . 1 1 23 23 ASP N N 23 121.414 121.414 119.675 1.739 18227 1892 1 6 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.585 0.158 18227 1893 1 6 . 1 1 23 23 ASP C C 23 176.664 176.664 177.916 -1.252 18227 1894 1 6 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.662 -2.503 18227 1895 1 6 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.529 -4.054 18227 1896 1 6 . 1 1 23 23 ASP H H 23 8.355 8.355 7.243 1.112 18227 1897 1 6 . 1 1 24 24 TRP N N 24 121.858 121.858 122.884 -1.026 18227 1898 1 6 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.080 0.560 18227 1899 1 6 . 1 1 24 24 TRP C C 24 178.311 178.311 177.707 0.604 18227 1900 1 6 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.353 -1.709 18227 1901 1 6 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.360 -0.617 18227 1902 1 6 . 1 1 24 24 TRP H H 24 8.363 8.363 8.854 -0.491 18227 1903 1 6 . 1 1 25 25 LYS N N 25 120.099 120.099 117.416 2.683 18227 1904 1 6 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.429 1.647 18227 1905 1 6 . 1 1 25 25 LYS C C 25 177.946 177.946 177.594 0.352 18227 1906 1 6 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.037 0.097 18227 1907 1 6 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.628 0.642 18227 1908 1 6 . 1 1 25 25 LYS H H 25 8.291 8.291 7.297 0.994 18227 1909 1 6 . 1 1 26 26 SER N N 26 113.558 113.558 112.281 1.277 18227 1910 1 6 . 1 1 26 26 SER HA H 26 4.541 4.541 4.343 0.198 18227 1911 1 6 . 1 1 26 26 SER C C 26 175.212 175.212 175.265 -0.053 18227 1912 1 6 . 1 1 26 26 SER CA C 26 59.813 59.813 59.791 0.022 18227 1913 1 6 . 1 1 26 26 SER CB C 26 63.672 63.672 64.520 -0.848 18227 1914 1 6 . 1 1 26 26 SER H H 26 8.088 8.088 7.925 0.163 18227 1915 1 6 . 1 1 27 27 SER N N 27 116.456 116.456 117.368 -0.912 18227 1916 1 6 . 1 1 27 27 SER HA H 27 4.534 4.534 4.487 0.047 18227 1917 1 6 . 1 1 27 27 SER C C 27 175.216 175.216 174.842 0.374 18227 1918 1 6 . 1 1 27 27 SER CA C 27 60.042 60.042 58.942 1.100 18227 1919 1 6 . 1 1 27 27 SER CB C 27 63.782 63.782 62.997 0.785 18227 1920 1 6 . 1 1 27 27 SER H H 27 8.025 8.025 8.396 -0.371 18227 1921 1 6 . 1 1 28 28 GLY N N 28 108.769 108.769 107.749 1.020 18227 1922 1 6 . 1 1 28 28 GLY C C 28 174.198 174.198 172.869 1.329 18227 1923 1 6 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.024 0.851 18227 1924 1 6 . 1 1 28 28 GLY H H 28 8.051 8.051 7.656 0.395 18227 1925 1 6 . 1 1 29 29 ALA N N 29 121.719 121.719 121.561 0.158 18227 1926 1 6 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.527 -0.116 18227 1927 1 6 . 1 1 29 29 ALA C C 29 177.554 177.554 176.412 1.142 18227 1928 1 6 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.339 -0.254 18227 1929 1 6 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.833 -0.059 18227 1930 1 6 . 1 1 29 29 ALA H H 29 7.749 7.749 7.609 0.140 18227 1931 1 6 . 1 1 30 30 LEU N N 30 118.220 118.220 113.508 4.712 18227 1932 1 6 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.495 0.051 18227 1933 1 6 . 1 1 30 30 LEU C C 30 176.978 176.978 177.906 -0.928 18227 1934 1 6 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.715 -0.048 18227 1935 1 6 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.044 0.712 18227 1936 1 6 . 1 1 30 30 LEU H H 30 7.660 7.660 7.723 -0.063 18227 1937 1 6 . 1 1 31 31 ILE N N 31 118.934 118.934 119.975 -1.041 18227 1938 1 6 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.180 0.205 18227 1939 1 6 . 1 1 31 31 ILE C C 31 175.025 175.025 175.163 -0.138 18227 1940 1 6 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.888 -3.212 18227 1941 1 6 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.511 2.059 18227 1942 1 6 . 1 1 31 31 ILE H H 31 7.446 7.446 8.228 -0.782 18227 1943 1 6 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.331 0.148 18227 1944 1 6 . 1 1 32 32 PRO C C 32 177.601 177.601 178.303 -0.702 18227 1945 1 6 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.897 -0.577 18227 1946 1 6 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.832 0.403 18227 1947 1 6 . 1 1 33 33 ALA N N 33 118.822 118.822 122.023 -3.201 18227 1948 1 6 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.155 0.212 18227 1949 1 6 . 1 1 33 33 ALA C C 33 179.269 179.269 179.962 -0.693 18227 1950 1 6 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.042 -0.225 18227 1951 1 6 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.304 -0.412 18227 1952 1 6 . 1 1 33 33 ALA H H 33 7.293 7.293 8.193 -0.900 18227 1953 1 6 . 1 1 34 34 ILE N N 34 116.953 116.953 118.858 -1.905 18227 1954 1 6 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.665 0.425 18227 1955 1 6 . 1 1 34 34 ILE C C 34 177.061 177.061 178.462 -1.401 18227 1956 1 6 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.939 -0.954 18227 1957 1 6 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.080 1.039 18227 1958 1 6 . 1 1 34 34 ILE H H 34 7.766 7.766 7.795 -0.029 18227 1959 1 6 . 1 1 35 35 TYR N N 35 118.432 118.432 119.775 -1.343 18227 1960 1 6 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.064 0.304 18227 1961 1 6 . 1 1 35 35 TYR C C 35 178.052 178.052 178.310 -0.258 18227 1962 1 6 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.509 -1.387 18227 1963 1 6 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.359 -0.423 18227 1964 1 6 . 1 1 35 35 TYR H H 35 7.988 7.988 7.801 0.187 18227 1965 1 6 . 1 1 36 36 MET N N 36 117.042 117.042 118.087 -1.045 18227 1966 1 6 . 1 1 36 36 MET HA H 36 4.534 4.534 4.173 0.361 18227 1967 1 6 . 1 1 36 36 MET C C 36 177.734 177.734 178.489 -0.755 18227 1968 1 6 . 1 1 36 36 MET CA C 36 58.272 58.272 57.899 0.373 18227 1969 1 6 . 1 1 36 36 MET CB C 36 31.979 31.979 32.044 -0.065 18227 1970 1 6 . 1 1 36 36 MET H H 36 7.934 7.934 8.713 -0.779 18227 1971 1 6 . 1 1 37 37 LEU N N 37 120.539 120.539 119.922 0.617 18227 1972 1 6 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.060 0.283 18227 1973 1 6 . 1 1 37 37 LEU C C 37 178.746 178.746 178.597 0.149 18227 1974 1 6 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.386 0.326 18227 1975 1 6 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.109 -0.071 18227 1976 1 6 . 1 1 37 37 LEU H H 37 8.013 8.013 8.529 -0.516 18227 1977 1 6 . 1 1 38 38 VAL N N 38 117.729 117.729 116.674 1.055 18227 1978 1 6 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.914 -0.137 18227 1979 1 6 . 1 1 38 38 VAL C C 38 179.009 179.009 176.463 2.546 18227 1980 1 6 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.522 2.678 18227 1981 1 6 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.947 -0.282 18227 1982 1 6 . 1 1 38 38 VAL H H 38 8.360 8.360 7.768 0.592 18227 1983 1 6 . 1 1 39 39 PHE N N 39 120.549 120.549 122.059 -1.510 18227 1984 1 6 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.419 0.006 18227 1985 1 6 . 1 1 39 39 PHE C C 39 179.129 179.129 177.197 1.932 18227 1986 1 6 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.580 -0.057 18227 1987 1 6 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.897 -1.794 18227 1988 1 6 . 1 1 39 39 PHE H H 39 8.225 8.225 8.180 0.045 18227 1989 1 6 . 1 1 40 40 LEU N N 40 122.778 122.778 113.461 9.317 18227 1990 1 6 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.421 -0.254 18227 1991 1 6 . 1 1 40 40 LEU C C 40 180.673 180.673 177.104 3.569 18227 1992 1 6 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.827 1.811 18227 1993 1 6 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.653 0.511 18227 1994 1 6 . 1 1 40 40 LEU H H 40 8.874 8.874 8.268 0.606 18227 1995 1 6 . 1 1 41 41 LEU N N 41 122.144 122.144 116.524 5.620 18227 1996 1 6 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.578 -0.342 18227 1997 1 6 . 1 1 41 41 LEU C C 41 180.709 180.709 177.255 3.454 18227 1998 1 6 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.733 3.737 18227 1999 1 6 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.119 -1.341 18227 2000 1 6 . 1 1 41 41 LEU H H 41 9.193 9.193 7.737 1.456 18227 2001 1 6 . 1 1 42 42 GLY N N 42 107.124 107.124 106.205 0.919 18227 2002 1 6 . 1 1 42 42 GLY C C 42 176.537 176.537 174.465 2.072 18227 2003 1 6 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.614 1.119 18227 2004 1 6 . 1 1 42 42 GLY H H 42 8.755 8.755 7.411 1.344 18227 2005 1 6 . 1 1 43 43 THR N N 43 113.411 113.411 113.032 0.379 18227 2006 1 6 . 1 1 43 43 THR HA H 43 4.299 4.299 4.273 0.026 18227 2007 1 6 . 1 1 43 43 THR C C 43 176.797 176.797 173.703 3.094 18227 2008 1 6 . 1 1 43 43 THR CA C 43 64.990 64.990 61.875 3.115 18227 2009 1 6 . 1 1 43 43 THR CB C 43 69.731 69.731 68.884 0.847 18227 2010 1 6 . 1 1 43 43 THR H H 43 8.179 8.179 7.908 0.271 18227 2011 1 6 . 1 1 44 44 THR N N 44 114.667 114.667 115.619 -0.952 18227 2012 1 6 . 1 1 44 44 THR HA H 44 4.366 4.366 4.415 -0.049 18227 2013 1 6 . 1 1 44 44 THR C C 44 176.375 176.375 174.973 1.402 18227 2014 1 6 . 1 1 44 44 THR CA C 44 64.833 64.833 63.088 1.745 18227 2015 1 6 . 1 1 44 44 THR CB C 44 69.988 69.988 69.944 0.044 18227 2016 1 6 . 1 1 44 44 THR H H 44 8.026 8.026 7.723 0.303 18227 2017 1 6 . 1 1 45 45 GLY N N 45 109.336 109.336 109.096 0.240 18227 2018 1 6 . 1 1 45 45 GLY C C 45 174.924 174.924 174.290 0.634 18227 2019 1 6 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.472 2.255 18227 2020 1 6 . 1 1 45 45 GLY H H 45 8.261 8.261 8.525 -0.264 18227 2021 1 6 . 1 1 46 46 ASN N N 46 117.547 117.547 118.702 -1.155 18227 2022 1 6 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.735 0.004 18227 2023 1 6 . 1 1 46 46 ASN C C 46 176.815 176.815 176.460 0.355 18227 2024 1 6 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.451 -0.101 18227 2025 1 6 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.330 -0.836 18227 2026 1 6 . 1 1 46 46 ASN H H 46 8.083 8.083 7.873 0.210 18227 2027 1 6 . 1 1 47 47 GLY N N 47 106.960 106.960 110.075 -3.115 18227 2028 1 6 . 1 1 47 47 GLY C C 47 175.001 175.001 176.259 -1.258 18227 2029 1 6 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.829 0.158 18227 2030 1 6 . 1 1 47 47 GLY H H 47 8.318 8.318 8.444 -0.126 18227 2031 1 6 . 1 1 48 48 LEU N N 48 120.991 120.991 121.931 -0.940 18227 2032 1 6 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.102 0.387 18227 2033 1 6 . 1 1 48 48 LEU C C 48 180.375 180.375 178.849 1.526 18227 2034 1 6 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.583 0.666 18227 2035 1 6 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.717 0.330 18227 2036 1 6 . 1 1 48 48 LEU H H 48 7.999 7.999 8.096 -0.097 18227 2037 1 6 . 1 1 49 49 VAL N N 49 121.040 121.040 117.963 3.077 18227 2038 1 6 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.616 0.217 18227 2039 1 6 . 1 1 49 49 VAL C C 49 178.016 178.016 178.085 -0.069 18227 2040 1 6 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.846 0.371 18227 2041 1 6 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.624 0.316 18227 2042 1 6 . 1 1 49 49 VAL H H 49 7.989 7.989 7.789 0.200 18227 2043 1 6 . 1 1 50 50 LEU N N 50 119.986 119.986 119.286 0.700 18227 2044 1 6 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.888 0.309 18227 2045 1 6 . 1 1 50 50 LEU C C 50 178.823 178.823 179.102 -0.279 18227 2046 1 6 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.842 0.848 18227 2047 1 6 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.393 0.272 18227 2048 1 6 . 1 1 50 50 LEU H H 50 7.926 7.926 7.746 0.180 18227 2049 1 6 . 1 1 51 51 TRP N N 51 117.842 117.842 120.264 -2.422 18227 2050 1 6 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.293 0.394 18227 2051 1 6 . 1 1 51 51 TRP C C 51 178.729 178.729 177.718 1.011 18227 2052 1 6 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.738 -0.358 18227 2053 1 6 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.809 -0.268 18227 2054 1 6 . 1 1 51 51 TRP H H 51 8.525 8.525 8.136 0.389 18227 2055 1 6 . 1 1 52 52 THR N N 52 114.722 114.722 115.779 -1.057 18227 2056 1 6 . 1 1 52 52 THR HA H 52 4.007 4.007 3.669 0.338 18227 2057 1 6 . 1 1 52 52 THR C C 52 176.228 176.228 177.089 -0.861 18227 2058 1 6 . 1 1 52 52 THR CA C 52 67.517 67.517 67.161 0.356 18227 2059 1 6 . 1 1 52 52 THR CB C 52 69.051 69.051 69.050 0.001 18227 2060 1 6 . 1 1 52 52 THR H H 52 8.248 8.248 8.497 -0.249 18227 2061 1 6 . 1 1 53 53 VAL N N 53 123.008 123.008 122.346 0.662 18227 2062 1 6 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.765 -0.017 18227 2063 1 6 . 1 1 53 53 VAL C C 53 178.474 178.474 177.348 1.126 18227 2064 1 6 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.521 0.934 18227 2065 1 6 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.402 0.438 18227 2066 1 6 . 1 1 53 53 VAL H H 53 8.634 8.634 8.790 -0.156 18227 2067 1 6 . 1 1 54 54 PHE N N 54 119.554 119.554 116.932 2.622 18227 2068 1 6 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.121 0.289 18227 2069 1 6 . 1 1 54 54 PHE C C 54 179.173 179.173 176.938 2.235 18227 2070 1 6 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.996 0.091 18227 2071 1 6 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.041 0.749 18227 2072 1 6 . 1 1 54 54 PHE H H 54 8.860 8.860 8.061 0.799 18227 2073 1 6 . 1 1 55 55 ARG N N 55 118.355 118.355 116.161 2.194 18227 2074 1 6 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.206 -0.086 18227 2075 1 6 . 1 1 55 55 ARG C C 55 178.719 178.719 177.063 1.656 18227 2076 1 6 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.130 1.846 18227 2077 1 6 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.801 -0.723 18227 2078 1 6 . 1 1 55 55 ARG H H 55 8.296 8.296 7.465 0.831 18227 2079 1 6 . 1 1 56 56 LYS N N 56 119.698 119.698 117.657 2.041 18227 2080 1 6 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.476 -0.183 18227 2081 1 6 . 1 1 56 56 LYS C C 56 178.742 178.742 177.584 1.158 18227 2082 1 6 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.320 0.731 18227 2083 1 6 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.255 -0.484 18227 2084 1 6 . 1 1 56 56 LYS H H 56 8.377 8.377 8.091 0.286 18227 2085 1 6 . 1 1 57 57 LYS N N 57 119.104 119.104 119.958 -0.854 18227 2086 1 6 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.459 -0.114 18227 2087 1 6 . 1 1 57 57 LYS C C 57 178.311 178.311 178.126 0.185 18227 2088 1 6 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.523 1.609 18227 2089 1 6 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.499 -0.809 18227 2090 1 6 . 1 1 57 57 LYS H H 57 8.610 8.610 8.527 0.083 18227 2091 1 6 . 1 1 58 58 GLY N N 58 106.684 106.684 108.677 -1.993 18227 2092 1 6 . 1 1 58 58 GLY C C 58 174.451 174.451 175.339 -0.888 18227 2093 1 6 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.242 -0.329 18227 2094 1 6 . 1 1 58 58 GLY H H 58 8.154 8.154 7.863 0.291 18227 2095 1 6 . 1 1 59 59 HIS N N 59 116.995 116.995 117.848 -0.853 18227 2096 1 6 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.298 0.477 18227 2097 1 6 . 1 1 59 59 HIS C C 59 174.529 174.529 175.406 -0.877 18227 2098 1 6 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.058 -1.918 18227 2099 1 6 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.680 -1.053 18227 2100 1 6 . 1 1 59 59 HIS H H 59 8.106 8.106 8.009 0.097 18227 2101 1 6 . 1 1 60 60 HIS N N 60 117.887 117.887 117.430 0.457 18227 2102 1 6 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.783 0.063 18227 2103 1 6 . 1 1 60 60 HIS C C 60 174.247 174.247 173.638 0.609 18227 2104 1 6 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.487 0.420 18227 2105 1 6 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.697 -0.647 18227 2106 1 6 . 1 1 60 60 HIS H H 60 8.425 8.425 7.393 1.032 18227 2107 1 6 . 1 1 61 61 HIS N N 61 118.329 118.329 120.573 -2.244 18227 2108 1 6 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.752 0.121 18227 2109 1 6 . 1 1 61 61 HIS C C 61 174.139 174.139 175.183 -1.044 18227 2110 1 6 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.589 0.205 18227 2111 1 6 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.725 -2.455 18227 2112 1 6 . 1 1 61 61 HIS H H 61 8.573 8.573 8.331 0.242 18227 2113 1 6 . 1 1 62 62 HIS N N 62 118.968 118.968 122.911 -3.943 18227 2114 1 6 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.230 0.645 18227 2115 1 6 . 1 1 62 62 HIS C C 62 173.827 173.827 174.250 -0.423 18227 2116 1 6 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.594 -0.826 18227 2117 1 6 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.982 -0.714 18227 2118 1 6 . 1 1 62 62 HIS H H 62 8.662 8.662 8.887 -0.225 18227 2119 1 6 . 1 1 63 63 HIS N N 63 118.949 118.949 120.398 -1.449 18227 2120 1 6 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.329 0.521 18227 2121 1 6 . 1 1 63 63 HIS C C 63 173.433 173.433 174.697 -1.264 18227 2122 1 6 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.793 -1.004 18227 2123 1 6 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.981 0.481 18227 2124 1 6 . 1 1 63 63 HIS H H 63 8.518 8.518 8.842 -0.324 18227 2125 1 7 . 1 1 2 2 GLU N N 2 122.322 122.322 122.790 -0.468 18227 2126 1 7 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.445 0.233 18227 2127 1 7 . 1 1 2 2 GLU C C 2 175.160 175.160 176.267 -1.107 18227 2128 1 7 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.026 0.067 18227 2129 1 7 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.190 0.985 18227 2130 1 7 . 1 1 2 2 GLU H H 2 8.641 8.641 8.554 0.087 18227 2131 1 7 . 1 1 3 3 GLU N N 3 121.391 121.391 122.642 -1.251 18227 2132 1 7 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.164 0.466 18227 2133 1 7 . 1 1 3 3 GLU C C 3 176.097 176.097 176.153 -0.056 18227 2134 1 7 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.569 -0.482 18227 2135 1 7 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.305 -1.121 18227 2136 1 7 . 1 1 3 3 GLU H H 3 8.448 8.448 8.165 0.283 18227 2137 1 7 . 1 1 4 4 GLY N N 4 109.002 109.002 110.512 -1.510 18227 2138 1 7 . 1 1 4 4 GLY C C 4 174.407 174.407 174.021 0.386 18227 2139 1 7 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.258 0.187 18227 2140 1 7 . 1 1 4 4 GLY H H 4 8.333 8.333 8.602 -0.269 18227 2141 1 7 . 1 1 5 5 GLY N N 5 107.419 107.419 109.763 -2.344 18227 2142 1 7 . 1 1 5 5 GLY C C 5 173.914 173.914 173.311 0.603 18227 2143 1 7 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.805 0.685 18227 2144 1 7 . 1 1 5 5 GLY H H 5 8.120 8.120 8.141 -0.021 18227 2145 1 7 . 1 1 6 6 ASP N N 6 117.918 117.918 117.140 0.778 18227 2146 1 7 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.541 0.365 18227 2147 1 7 . 1 1 6 6 ASP C C 6 175.114 175.114 174.945 0.169 18227 2148 1 7 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.711 -0.592 18227 2149 1 7 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.768 -2.809 18227 2150 1 7 . 1 1 6 6 ASP H H 6 8.204 8.204 8.391 -0.187 18227 2151 1 7 . 1 1 7 7 PHE N N 7 119.801 119.801 119.881 -0.080 18227 2152 1 7 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.131 0.579 18227 2153 1 7 . 1 1 7 7 PHE C C 7 175.789 175.789 173.460 2.329 18227 2154 1 7 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.729 -0.053 18227 2155 1 7 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.703 -0.534 18227 2156 1 7 . 1 1 7 7 PHE H H 7 8.072 8.072 7.878 0.194 18227 2157 1 7 . 1 1 8 8 ASP N N 8 117.963 117.963 124.099 -6.136 18227 2158 1 7 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.804 -0.027 18227 2159 1 7 . 1 1 8 8 ASP C C 8 174.919 174.919 174.606 0.313 18227 2160 1 7 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.709 -0.129 18227 2161 1 7 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.150 -3.427 18227 2162 1 7 . 1 1 8 8 ASP H H 8 8.184 8.184 8.543 -0.359 18227 2163 1 7 . 1 1 9 9 ASN N N 9 117.736 117.736 115.511 2.225 18227 2164 1 7 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.510 0.280 18227 2165 1 7 . 1 1 9 9 ASN C C 9 174.974 174.974 175.165 -0.191 18227 2166 1 7 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.746 -1.010 18227 2167 1 7 . 1 1 9 9 ASN CB C 9 38.570 38.570 39.024 -0.454 18227 2168 1 7 . 1 1 9 9 ASN H H 9 8.080 8.080 8.667 -0.587 18227 2169 1 7 . 1 1 10 10 TYR N N 10 119.580 119.580 123.323 -3.743 18227 2170 1 7 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.300 0.326 18227 2171 1 7 . 1 1 10 10 TYR C C 10 175.935 175.935 176.252 -0.317 18227 2172 1 7 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.227 -0.448 18227 2173 1 7 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.597 0.917 18227 2174 1 7 . 1 1 10 10 TYR H H 10 7.869 7.869 8.693 -0.824 18227 2175 1 7 . 1 1 11 11 TYR N N 11 120.254 120.254 127.686 -7.432 18227 2176 1 7 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.994 0.625 18227 2177 1 7 . 1 1 11 11 TYR C C 11 176.666 176.666 175.082 1.584 18227 2178 1 7 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.974 -0.118 18227 2179 1 7 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.624 1.864 18227 2180 1 7 . 1 1 11 11 TYR H H 11 7.906 7.906 8.514 -0.608 18227 2181 1 7 . 1 1 12 12 GLY N N 12 108.226 108.226 104.312 3.914 18227 2182 1 7 . 1 1 12 12 GLY C C 12 174.314 174.314 174.188 0.126 18227 2183 1 7 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.780 0.000 18227 2184 1 7 . 1 1 12 12 GLY H H 12 7.817 7.817 8.229 -0.412 18227 2185 1 7 . 1 1 13 13 ALA N N 13 122.970 122.970 121.690 1.280 18227 2186 1 7 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.451 0.019 18227 2187 1 7 . 1 1 13 13 ALA C C 13 178.137 178.137 177.921 0.216 18227 2188 1 7 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.249 0.201 18227 2189 1 7 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.152 -1.469 18227 2190 1 7 . 1 1 13 13 ALA H H 13 7.913 7.913 8.358 -0.445 18227 2191 1 7 . 1 1 14 14 ASP N N 14 116.374 116.374 117.664 -1.290 18227 2192 1 7 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.575 0.300 18227 2193 1 7 . 1 1 14 14 ASP C C 14 175.450 175.450 177.518 -2.068 18227 2194 1 7 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.818 -2.178 18227 2195 1 7 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.581 -2.719 18227 2196 1 7 . 1 1 14 14 ASP H H 14 8.348 8.348 7.911 0.437 18227 2197 1 7 . 1 1 15 15 ASN N N 15 118.423 118.423 118.248 0.175 18227 2198 1 7 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.724 0.146 18227 2199 1 7 . 1 1 15 15 ASN C C 15 176.054 176.054 176.334 -0.280 18227 2200 1 7 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.653 -1.225 18227 2201 1 7 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.365 0.317 18227 2202 1 7 . 1 1 15 15 ASN H H 15 8.272 8.272 8.804 -0.532 18227 2203 1 7 . 1 1 16 16 GLN N N 16 120.129 120.129 115.593 4.536 18227 2204 1 7 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.434 -0.018 18227 2205 1 7 . 1 1 16 16 GLN C C 16 177.337 177.337 177.401 -0.064 18227 2206 1 7 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.031 1.225 18227 2207 1 7 . 1 1 16 16 GLN CB C 16 28.784 28.784 29.304 -0.520 18227 2208 1 7 . 1 1 16 16 GLN H H 16 8.481 8.481 7.842 0.639 18227 2209 1 7 . 1 1 17 17 SER N N 17 115.051 115.051 117.917 -2.866 18227 2210 1 7 . 1 1 17 17 SER HA H 17 4.505 4.505 4.314 0.191 18227 2211 1 7 . 1 1 17 17 SER C C 17 175.596 175.596 176.642 -1.046 18227 2212 1 7 . 1 1 17 17 SER CA C 17 60.767 60.767 61.157 -0.390 18227 2213 1 7 . 1 1 17 17 SER CB C 17 63.325 63.325 63.180 0.145 18227 2214 1 7 . 1 1 17 17 SER H H 17 8.380 8.380 8.408 -0.028 18227 2215 1 7 . 1 1 18 18 GLU N N 18 120.901 120.901 121.351 -0.450 18227 2216 1 7 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.107 0.352 18227 2217 1 7 . 1 1 18 18 GLU C C 18 177.867 177.867 178.032 -0.165 18227 2218 1 7 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.093 -0.870 18227 2219 1 7 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.616 -0.551 18227 2220 1 7 . 1 1 18 18 GLU H H 18 8.233 8.233 8.530 -0.297 18227 2221 1 7 . 1 1 19 19 CYS N N 19 118.899 118.899 118.648 0.251 18227 2222 1 7 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.239 0.237 18227 2223 1 7 . 1 1 19 19 CYS C C 19 175.896 175.896 176.330 -0.434 18227 2224 1 7 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.555 -0.293 18227 2225 1 7 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.591 -0.532 18227 2226 1 7 . 1 1 19 19 CYS H H 19 8.245 8.245 7.516 0.729 18227 2227 1 7 . 1 1 20 20 GLU N N 20 120.324 120.324 117.855 2.469 18227 2228 1 7 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.306 0.021 18227 2229 1 7 . 1 1 20 20 GLU C C 20 177.163 177.163 177.878 -0.715 18227 2230 1 7 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.537 0.835 18227 2231 1 7 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.874 -0.830 18227 2232 1 7 . 1 1 20 20 GLU H H 20 8.299 8.299 8.758 -0.459 18227 2233 1 7 . 1 1 21 21 TYR N N 21 118.601 118.601 121.876 -3.275 18227 2234 1 7 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.814 -0.209 18227 2235 1 7 . 1 1 21 21 TYR C C 21 177.166 177.166 177.173 -0.007 18227 2236 1 7 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.219 -0.813 18227 2237 1 7 . 1 1 21 21 TYR CB C 21 38.478 38.478 39.447 -0.968 18227 2238 1 7 . 1 1 21 21 TYR H H 21 8.165 8.165 7.768 0.397 18227 2239 1 7 . 1 1 22 22 THR N N 22 112.362 112.362 114.423 -2.061 18227 2240 1 7 . 1 1 22 22 THR HA H 22 4.203 4.203 3.548 0.655 18227 2241 1 7 . 1 1 22 22 THR C C 22 176.226 176.226 175.979 0.247 18227 2242 1 7 . 1 1 22 22 THR CA C 22 64.825 64.825 65.739 -0.914 18227 2243 1 7 . 1 1 22 22 THR CB C 22 69.471 69.471 68.691 0.780 18227 2244 1 7 . 1 1 22 22 THR H H 22 8.063 8.063 8.141 -0.078 18227 2245 1 7 . 1 1 23 23 ASP N N 23 121.414 121.414 120.079 1.335 18227 2246 1 7 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.728 0.015 18227 2247 1 7 . 1 1 23 23 ASP C C 23 176.664 176.664 177.089 -0.425 18227 2248 1 7 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.064 -1.905 18227 2249 1 7 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.155 -3.680 18227 2250 1 7 . 1 1 23 23 ASP H H 23 8.355 8.355 7.654 0.701 18227 2251 1 7 . 1 1 24 24 TRP N N 24 121.858 121.858 122.324 -0.466 18227 2252 1 7 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.173 0.467 18227 2253 1 7 . 1 1 24 24 TRP C C 24 178.311 178.311 177.653 0.658 18227 2254 1 7 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.023 -1.379 18227 2255 1 7 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.461 -0.718 18227 2256 1 7 . 1 1 24 24 TRP H H 24 8.363 8.363 7.560 0.803 18227 2257 1 7 . 1 1 25 25 LYS N N 25 120.099 120.099 119.376 0.723 18227 2258 1 7 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.552 1.524 18227 2259 1 7 . 1 1 25 25 LYS C C 25 177.946 177.946 177.485 0.461 18227 2260 1 7 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.751 -0.617 18227 2261 1 7 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.313 0.957 18227 2262 1 7 . 1 1 25 25 LYS H H 25 8.291 8.291 7.464 0.827 18227 2263 1 7 . 1 1 26 26 SER N N 26 113.558 113.558 113.295 0.263 18227 2264 1 7 . 1 1 26 26 SER HA H 26 4.541 4.541 4.219 0.322 18227 2265 1 7 . 1 1 26 26 SER C C 26 175.212 175.212 176.646 -1.434 18227 2266 1 7 . 1 1 26 26 SER CA C 26 59.813 59.813 60.629 -0.816 18227 2267 1 7 . 1 1 26 26 SER CB C 26 63.672 63.672 63.472 0.200 18227 2268 1 7 . 1 1 26 26 SER H H 26 8.088 8.088 7.089 0.999 18227 2269 1 7 . 1 1 27 27 SER N N 27 116.456 116.456 118.586 -2.130 18227 2270 1 7 . 1 1 27 27 SER HA H 27 4.534 4.534 4.311 0.223 18227 2271 1 7 . 1 1 27 27 SER C C 27 175.216 175.216 177.048 -1.832 18227 2272 1 7 . 1 1 27 27 SER CA C 27 60.042 60.042 61.139 -1.097 18227 2273 1 7 . 1 1 27 27 SER CB C 27 63.782 63.782 63.022 0.761 18227 2274 1 7 . 1 1 27 27 SER H H 27 8.025 8.025 8.461 -0.436 18227 2275 1 7 . 1 1 28 28 GLY N N 28 108.769 108.769 107.801 0.968 18227 2276 1 7 . 1 1 28 28 GLY C C 28 174.198 174.198 174.134 0.064 18227 2277 1 7 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.790 0.085 18227 2278 1 7 . 1 1 28 28 GLY H H 28 8.051 8.051 8.487 -0.436 18227 2279 1 7 . 1 1 29 29 ALA N N 29 121.719 121.719 122.895 -1.176 18227 2280 1 7 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.370 0.041 18227 2281 1 7 . 1 1 29 29 ALA C C 29 177.554 177.554 177.178 0.376 18227 2282 1 7 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.563 0.522 18227 2283 1 7 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.645 -0.872 18227 2284 1 7 . 1 1 29 29 ALA H H 29 7.749 7.749 7.559 0.190 18227 2285 1 7 . 1 1 30 30 LEU N N 30 118.220 118.220 112.237 5.983 18227 2286 1 7 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.790 -0.244 18227 2287 1 7 . 1 1 30 30 LEU C C 30 176.978 176.978 177.421 -0.443 18227 2288 1 7 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.568 0.099 18227 2289 1 7 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.458 -0.702 18227 2290 1 7 . 1 1 30 30 LEU H H 30 7.660 7.660 7.519 0.141 18227 2291 1 7 . 1 1 31 31 ILE N N 31 118.934 118.934 122.242 -3.308 18227 2292 1 7 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.181 0.204 18227 2293 1 7 . 1 1 31 31 ILE C C 31 175.025 175.025 175.081 -0.056 18227 2294 1 7 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.352 -1.676 18227 2295 1 7 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.566 2.006 18227 2296 1 7 . 1 1 31 31 ILE H H 31 7.446 7.446 8.338 -0.892 18227 2297 1 7 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.263 0.216 18227 2298 1 7 . 1 1 32 32 PRO C C 32 177.601 177.601 178.109 -0.508 18227 2299 1 7 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.439 -0.119 18227 2300 1 7 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.818 0.417 18227 2301 1 7 . 1 1 33 33 ALA N N 33 118.822 118.822 121.904 -3.082 18227 2302 1 7 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.090 0.277 18227 2303 1 7 . 1 1 33 33 ALA C C 33 179.269 179.269 179.651 -0.382 18227 2304 1 7 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.176 -0.359 18227 2305 1 7 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.251 -0.359 18227 2306 1 7 . 1 1 33 33 ALA H H 33 7.293 7.293 7.481 -0.188 18227 2307 1 7 . 1 1 34 34 ILE N N 34 116.953 116.953 118.951 -1.998 18227 2308 1 7 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.670 0.420 18227 2309 1 7 . 1 1 34 34 ILE C C 34 177.061 177.061 178.514 -1.453 18227 2310 1 7 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.938 -0.953 18227 2311 1 7 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.099 1.020 18227 2312 1 7 . 1 1 34 34 ILE H H 34 7.766 7.766 8.094 -0.328 18227 2313 1 7 . 1 1 35 35 TYR N N 35 118.432 118.432 119.396 -0.964 18227 2314 1 7 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.096 0.272 18227 2315 1 7 . 1 1 35 35 TYR C C 35 178.052 178.052 178.303 -0.251 18227 2316 1 7 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.486 -1.363 18227 2317 1 7 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.289 -0.353 18227 2318 1 7 . 1 1 35 35 TYR H H 35 7.988 7.988 7.627 0.361 18227 2319 1 7 . 1 1 36 36 MET N N 36 117.042 117.042 118.413 -1.371 18227 2320 1 7 . 1 1 36 36 MET HA H 36 4.534 4.534 4.189 0.345 18227 2321 1 7 . 1 1 36 36 MET C C 36 177.734 177.734 178.502 -0.768 18227 2322 1 7 . 1 1 36 36 MET CA C 36 58.272 58.272 57.711 0.562 18227 2323 1 7 . 1 1 36 36 MET CB C 36 31.979 31.979 32.059 -0.079 18227 2324 1 7 . 1 1 36 36 MET H H 36 7.934 7.934 8.766 -0.832 18227 2325 1 7 . 1 1 37 37 LEU N N 37 120.539 120.539 120.060 0.479 18227 2326 1 7 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.056 0.287 18227 2327 1 7 . 1 1 37 37 LEU C C 37 178.746 178.746 178.469 0.277 18227 2328 1 7 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.234 0.478 18227 2329 1 7 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.101 -0.063 18227 2330 1 7 . 1 1 37 37 LEU H H 37 8.013 8.013 8.586 -0.573 18227 2331 1 7 . 1 1 38 38 VAL N N 38 117.729 117.729 117.033 0.696 18227 2332 1 7 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.836 -0.059 18227 2333 1 7 . 1 1 38 38 VAL C C 38 179.009 179.009 176.989 2.020 18227 2334 1 7 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.711 2.488 18227 2335 1 7 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.205 -0.540 18227 2336 1 7 . 1 1 38 38 VAL H H 38 8.360 8.360 7.661 0.699 18227 2337 1 7 . 1 1 39 39 PHE N N 39 120.549 120.549 122.984 -2.435 18227 2338 1 7 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.486 -0.061 18227 2339 1 7 . 1 1 39 39 PHE C C 39 179.129 179.129 176.638 2.491 18227 2340 1 7 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.196 0.326 18227 2341 1 7 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.524 -1.421 18227 2342 1 7 . 1 1 39 39 PHE H H 39 8.225 8.225 8.035 0.190 18227 2343 1 7 . 1 1 40 40 LEU N N 40 122.778 122.778 115.971 6.807 18227 2344 1 7 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.426 -0.259 18227 2345 1 7 . 1 1 40 40 LEU C C 40 180.673 180.673 176.820 3.853 18227 2346 1 7 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.171 1.467 18227 2347 1 7 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.110 1.054 18227 2348 1 7 . 1 1 40 40 LEU H H 40 8.874 8.874 8.356 0.518 18227 2349 1 7 . 1 1 41 41 LEU N N 41 122.144 122.144 119.194 2.950 18227 2350 1 7 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.460 -0.224 18227 2351 1 7 . 1 1 41 41 LEU C C 41 180.709 180.709 178.340 2.369 18227 2352 1 7 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.490 1.980 18227 2353 1 7 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.966 -1.188 18227 2354 1 7 . 1 1 41 41 LEU H H 41 9.193 9.193 7.531 1.662 18227 2355 1 7 . 1 1 42 42 GLY N N 42 107.124 107.124 103.965 3.159 18227 2356 1 7 . 1 1 42 42 GLY C C 42 176.537 176.537 174.618 1.919 18227 2357 1 7 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.874 0.859 18227 2358 1 7 . 1 1 42 42 GLY H H 42 8.755 8.755 7.761 0.994 18227 2359 1 7 . 1 1 43 43 THR N N 43 113.411 113.411 114.752 -1.341 18227 2360 1 7 . 1 1 43 43 THR HA H 43 4.299 4.299 4.475 -0.176 18227 2361 1 7 . 1 1 43 43 THR C C 43 176.797 176.797 173.858 2.939 18227 2362 1 7 . 1 1 43 43 THR CA C 43 64.990 64.990 60.911 4.079 18227 2363 1 7 . 1 1 43 43 THR CB C 43 69.731 69.731 68.800 0.931 18227 2364 1 7 . 1 1 43 43 THR H H 43 8.179 8.179 7.662 0.517 18227 2365 1 7 . 1 1 44 44 THR N N 44 114.667 114.667 117.216 -2.549 18227 2366 1 7 . 1 1 44 44 THR HA H 44 4.366 4.366 4.517 -0.151 18227 2367 1 7 . 1 1 44 44 THR C C 44 176.375 176.375 175.203 1.172 18227 2368 1 7 . 1 1 44 44 THR CA C 44 64.833 64.833 64.514 0.319 18227 2369 1 7 . 1 1 44 44 THR CB C 44 69.988 69.988 70.854 -0.866 18227 2370 1 7 . 1 1 44 44 THR H H 44 8.026 8.026 7.701 0.325 18227 2371 1 7 . 1 1 45 45 GLY N N 45 109.336 109.336 109.244 0.092 18227 2372 1 7 . 1 1 45 45 GLY C C 45 174.924 174.924 174.878 0.046 18227 2373 1 7 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.982 1.745 18227 2374 1 7 . 1 1 45 45 GLY H H 45 8.261 8.261 7.999 0.262 18227 2375 1 7 . 1 1 46 46 ASN N N 46 117.547 117.547 119.632 -2.085 18227 2376 1 7 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.632 0.107 18227 2377 1 7 . 1 1 46 46 ASN C C 46 176.815 176.815 176.761 0.054 18227 2378 1 7 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.681 -0.331 18227 2379 1 7 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.539 -0.047 18227 2380 1 7 . 1 1 46 46 ASN H H 46 8.083 8.083 7.985 0.098 18227 2381 1 7 . 1 1 47 47 GLY N N 47 106.960 106.960 108.389 -1.429 18227 2382 1 7 . 1 1 47 47 GLY C C 47 175.001 175.001 176.188 -1.187 18227 2383 1 7 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.478 0.509 18227 2384 1 7 . 1 1 47 47 GLY H H 47 8.318 8.318 8.313 0.005 18227 2385 1 7 . 1 1 48 48 LEU N N 48 120.991 120.991 121.964 -0.973 18227 2386 1 7 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.083 0.406 18227 2387 1 7 . 1 1 48 48 LEU C C 48 180.375 180.375 178.646 1.729 18227 2388 1 7 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.622 0.626 18227 2389 1 7 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.919 0.128 18227 2390 1 7 . 1 1 48 48 LEU H H 48 7.999 7.999 7.735 0.264 18227 2391 1 7 . 1 1 49 49 VAL N N 49 121.040 121.040 118.492 2.548 18227 2392 1 7 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.675 0.158 18227 2393 1 7 . 1 1 49 49 VAL C C 49 178.016 178.016 178.124 -0.108 18227 2394 1 7 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.786 0.431 18227 2395 1 7 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.314 0.626 18227 2396 1 7 . 1 1 49 49 VAL H H 49 7.989 7.989 7.346 0.643 18227 2397 1 7 . 1 1 50 50 LEU N N 50 119.986 119.986 119.375 0.611 18227 2398 1 7 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.900 0.297 18227 2399 1 7 . 1 1 50 50 LEU C C 50 178.823 178.823 179.357 -0.534 18227 2400 1 7 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.909 0.781 18227 2401 1 7 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.365 0.300 18227 2402 1 7 . 1 1 50 50 LEU H H 50 7.926 7.926 7.754 0.172 18227 2403 1 7 . 1 1 51 51 TRP N N 51 117.842 117.842 120.754 -2.912 18227 2404 1 7 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.322 0.365 18227 2405 1 7 . 1 1 51 51 TRP C C 51 178.729 178.729 178.508 0.221 18227 2406 1 7 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.024 -0.644 18227 2407 1 7 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.822 -0.281 18227 2408 1 7 . 1 1 51 51 TRP H H 51 8.525 8.525 8.241 0.284 18227 2409 1 7 . 1 1 52 52 THR N N 52 114.722 114.722 117.697 -2.975 18227 2410 1 7 . 1 1 52 52 THR HA H 52 4.007 4.007 3.637 0.370 18227 2411 1 7 . 1 1 52 52 THR C C 52 176.228 176.228 176.926 -0.698 18227 2412 1 7 . 1 1 52 52 THR CA C 52 67.517 67.517 67.293 0.223 18227 2413 1 7 . 1 1 52 52 THR CB C 52 69.051 69.051 69.027 0.024 18227 2414 1 7 . 1 1 52 52 THR H H 52 8.248 8.248 8.661 -0.413 18227 2415 1 7 . 1 1 53 53 VAL N N 53 123.008 123.008 122.253 0.755 18227 2416 1 7 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.712 0.036 18227 2417 1 7 . 1 1 53 53 VAL C C 53 178.474 178.474 177.110 1.364 18227 2418 1 7 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.454 1.000 18227 2419 1 7 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.388 0.452 18227 2420 1 7 . 1 1 53 53 VAL H H 53 8.634 8.634 8.831 -0.197 18227 2421 1 7 . 1 1 54 54 PHE N N 54 119.554 119.554 117.244 2.310 18227 2422 1 7 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.196 0.214 18227 2423 1 7 . 1 1 54 54 PHE C C 54 179.173 179.173 176.894 2.279 18227 2424 1 7 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.633 0.454 18227 2425 1 7 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.379 0.411 18227 2426 1 7 . 1 1 54 54 PHE H H 54 8.860 8.860 7.776 1.084 18227 2427 1 7 . 1 1 55 55 ARG N N 55 118.355 118.355 116.350 2.005 18227 2428 1 7 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.249 -0.129 18227 2429 1 7 . 1 1 55 55 ARG C C 55 178.719 178.719 176.151 2.568 18227 2430 1 7 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.629 2.347 18227 2431 1 7 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.387 -0.309 18227 2432 1 7 . 1 1 55 55 ARG H H 55 8.296 8.296 7.691 0.605 18227 2433 1 7 . 1 1 56 56 LYS N N 56 119.698 119.698 117.932 1.766 18227 2434 1 7 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.424 -0.131 18227 2435 1 7 . 1 1 56 56 LYS C C 56 178.742 178.742 177.342 1.400 18227 2436 1 7 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.391 1.660 18227 2437 1 7 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.082 -1.311 18227 2438 1 7 . 1 1 56 56 LYS H H 56 8.377 8.377 8.159 0.218 18227 2439 1 7 . 1 1 57 57 LYS N N 57 119.104 119.104 119.924 -0.820 18227 2440 1 7 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.415 -0.070 18227 2441 1 7 . 1 1 57 57 LYS C C 57 178.311 178.311 177.852 0.459 18227 2442 1 7 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.807 0.325 18227 2443 1 7 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.381 -0.691 18227 2444 1 7 . 1 1 57 57 LYS H H 57 8.610 8.610 8.318 0.292 18227 2445 1 7 . 1 1 58 58 GLY N N 58 106.684 106.684 106.124 0.560 18227 2446 1 7 . 1 1 58 58 GLY C C 58 174.451 174.451 175.503 -1.052 18227 2447 1 7 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.205 -0.291 18227 2448 1 7 . 1 1 58 58 GLY H H 58 8.154 8.154 7.948 0.206 18227 2449 1 7 . 1 1 59 59 HIS N N 59 116.995 116.995 119.570 -2.575 18227 2450 1 7 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.097 0.678 18227 2451 1 7 . 1 1 59 59 HIS C C 59 174.529 174.529 176.555 -2.026 18227 2452 1 7 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.008 -1.868 18227 2453 1 7 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.326 -0.699 18227 2454 1 7 . 1 1 59 59 HIS H H 59 8.106 8.106 8.233 -0.127 18227 2455 1 7 . 1 1 60 60 HIS N N 60 117.887 117.887 117.086 0.801 18227 2456 1 7 . 1 1 60 60 HIS HA H 60 4.846 4.846 3.647 1.199 18227 2457 1 7 . 1 1 60 60 HIS C C 60 174.247 174.247 175.378 -1.131 18227 2458 1 7 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.585 -1.678 18227 2459 1 7 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.024 -0.974 18227 2460 1 7 . 1 1 60 60 HIS H H 60 8.425 8.425 8.425 -0.000 18227 2461 1 7 . 1 1 61 61 HIS N N 61 118.329 118.329 112.820 5.509 18227 2462 1 7 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.524 0.349 18227 2463 1 7 . 1 1 61 61 HIS C C 61 174.139 174.139 175.183 -1.044 18227 2464 1 7 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.514 1.280 18227 2465 1 7 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.846 -2.576 18227 2466 1 7 . 1 1 61 61 HIS H H 61 8.573 8.573 7.645 0.928 18227 2467 1 7 . 1 1 62 62 HIS N N 62 118.968 118.968 120.033 -1.065 18227 2468 1 7 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.232 0.643 18227 2469 1 7 . 1 1 62 62 HIS C C 62 173.827 173.827 176.212 -2.385 18227 2470 1 7 . 1 1 62 62 HIS CA C 62 55.768 55.768 58.797 -3.029 18227 2471 1 7 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.752 -0.484 18227 2472 1 7 . 1 1 62 62 HIS H H 62 8.662 8.662 6.937 1.725 18227 2473 1 7 . 1 1 63 63 HIS N N 63 118.949 118.949 117.856 1.093 18227 2474 1 7 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.289 0.561 18227 2475 1 7 . 1 1 63 63 HIS C C 63 173.433 173.433 174.172 -0.739 18227 2476 1 7 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.943 -0.154 18227 2477 1 7 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.624 1.838 18227 2478 1 7 . 1 1 63 63 HIS H H 63 8.518 8.518 8.584 -0.066 18227 2479 1 8 . 1 1 2 2 GLU N N 2 122.322 122.322 122.494 -0.172 18227 2480 1 8 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.516 0.162 18227 2481 1 8 . 1 1 2 2 GLU C C 2 175.160 175.160 175.678 -0.518 18227 2482 1 8 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.354 -0.261 18227 2483 1 8 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.589 -0.414 18227 2484 1 8 . 1 1 2 2 GLU H H 2 8.641 8.641 8.370 0.271 18227 2485 1 8 . 1 1 3 3 GLU N N 3 121.391 121.391 120.844 0.547 18227 2486 1 8 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.618 0.012 18227 2487 1 8 . 1 1 3 3 GLU C C 3 176.097 176.097 175.262 0.835 18227 2488 1 8 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.511 -0.424 18227 2489 1 8 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.803 -1.619 18227 2490 1 8 . 1 1 3 3 GLU H H 3 8.448 8.448 8.316 0.132 18227 2491 1 8 . 1 1 4 4 GLY N N 4 109.002 109.002 107.900 1.102 18227 2492 1 8 . 1 1 4 4 GLY C C 4 174.407 174.407 173.514 0.893 18227 2493 1 8 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.781 -0.336 18227 2494 1 8 . 1 1 4 4 GLY H H 4 8.333 8.333 8.468 -0.135 18227 2495 1 8 . 1 1 5 5 GLY N N 5 107.419 107.419 109.592 -2.173 18227 2496 1 8 . 1 1 5 5 GLY C C 5 173.914 173.914 172.421 1.493 18227 2497 1 8 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.919 -0.429 18227 2498 1 8 . 1 1 5 5 GLY H H 5 8.120 8.120 8.200 -0.080 18227 2499 1 8 . 1 1 6 6 ASP N N 6 117.918 117.918 121.669 -3.751 18227 2500 1 8 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.456 0.450 18227 2501 1 8 . 1 1 6 6 ASP C C 6 175.114 175.114 175.506 -0.392 18227 2502 1 8 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.687 -0.568 18227 2503 1 8 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.331 -3.372 18227 2504 1 8 . 1 1 6 6 ASP H H 6 8.204 8.204 7.986 0.218 18227 2505 1 8 . 1 1 7 7 PHE N N 7 119.801 119.801 117.602 2.199 18227 2506 1 8 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.138 0.572 18227 2507 1 8 . 1 1 7 7 PHE C C 7 175.789 175.789 175.344 0.445 18227 2508 1 8 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.670 1.006 18227 2509 1 8 . 1 1 7 7 PHE CB C 7 39.169 39.169 37.296 1.873 18227 2510 1 8 . 1 1 7 7 PHE H H 7 8.072 8.072 7.751 0.321 18227 2511 1 8 . 1 1 8 8 ASP N N 8 117.963 117.963 118.398 -0.435 18227 2512 1 8 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.644 0.133 18227 2513 1 8 . 1 1 8 8 ASP C C 8 174.919 174.919 175.790 -0.871 18227 2514 1 8 . 1 1 8 8 ASP CA C 8 53.580 53.580 52.767 0.813 18227 2515 1 8 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.113 -1.390 18227 2516 1 8 . 1 1 8 8 ASP H H 8 8.184 8.184 8.369 -0.185 18227 2517 1 8 . 1 1 9 9 ASN N N 9 117.736 117.736 118.885 -1.149 18227 2518 1 8 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.607 0.183 18227 2519 1 8 . 1 1 9 9 ASN C C 9 174.974 174.974 175.700 -0.726 18227 2520 1 8 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.370 -0.634 18227 2521 1 8 . 1 1 9 9 ASN CB C 9 38.570 38.570 39.219 -0.649 18227 2522 1 8 . 1 1 9 9 ASN H H 9 8.080 8.080 7.787 0.293 18227 2523 1 8 . 1 1 10 10 TYR N N 10 119.580 119.580 118.700 0.880 18227 2524 1 8 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.184 0.442 18227 2525 1 8 . 1 1 10 10 TYR C C 10 175.935 175.935 175.312 0.623 18227 2526 1 8 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.278 -0.499 18227 2527 1 8 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.682 -0.168 18227 2528 1 8 . 1 1 10 10 TYR H H 10 7.869 7.869 8.484 -0.615 18227 2529 1 8 . 1 1 11 11 TYR N N 11 120.254 120.254 122.395 -2.141 18227 2530 1 8 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.039 0.580 18227 2531 1 8 . 1 1 11 11 TYR C C 11 176.666 176.666 174.058 2.608 18227 2532 1 8 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.320 -0.464 18227 2533 1 8 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.747 0.741 18227 2534 1 8 . 1 1 11 11 TYR H H 11 7.906 7.906 8.095 -0.189 18227 2535 1 8 . 1 1 12 12 GLY N N 12 108.226 108.226 103.444 4.782 18227 2536 1 8 . 1 1 12 12 GLY C C 12 174.314 174.314 172.744 1.570 18227 2537 1 8 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.168 0.612 18227 2538 1 8 . 1 1 12 12 GLY H H 12 7.817 7.817 7.884 -0.067 18227 2539 1 8 . 1 1 13 13 ALA N N 13 122.970 122.970 122.511 0.459 18227 2540 1 8 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.848 -0.378 18227 2541 1 8 . 1 1 13 13 ALA C C 13 178.137 178.137 176.705 1.432 18227 2542 1 8 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.138 1.312 18227 2543 1 8 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.667 -0.984 18227 2544 1 8 . 1 1 13 13 ALA H H 13 7.913 7.913 7.906 0.007 18227 2545 1 8 . 1 1 14 14 ASP N N 14 116.374 116.374 118.491 -2.117 18227 2546 1 8 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.654 0.221 18227 2547 1 8 . 1 1 14 14 ASP C C 14 175.450 175.450 177.553 -2.103 18227 2548 1 8 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.912 -1.272 18227 2549 1 8 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.429 -2.567 18227 2550 1 8 . 1 1 14 14 ASP H H 14 8.348 8.348 8.198 0.150 18227 2551 1 8 . 1 1 15 15 ASN N N 15 118.423 118.423 118.494 -0.071 18227 2552 1 8 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.598 0.272 18227 2553 1 8 . 1 1 15 15 ASN C C 15 176.054 176.054 176.557 -0.503 18227 2554 1 8 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.546 -1.118 18227 2555 1 8 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.307 0.375 18227 2556 1 8 . 1 1 15 15 ASN H H 15 8.272 8.272 8.566 -0.294 18227 2557 1 8 . 1 1 16 16 GLN N N 16 120.129 120.129 115.741 4.388 18227 2558 1 8 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.340 0.076 18227 2559 1 8 . 1 1 16 16 GLN C C 16 177.337 177.337 177.046 0.291 18227 2560 1 8 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.244 1.012 18227 2561 1 8 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.991 -0.207 18227 2562 1 8 . 1 1 16 16 GLN H H 16 8.481 8.481 8.232 0.249 18227 2563 1 8 . 1 1 17 17 SER N N 17 115.051 115.051 118.753 -3.702 18227 2564 1 8 . 1 1 17 17 SER HA H 17 4.505 4.505 4.323 0.182 18227 2565 1 8 . 1 1 17 17 SER C C 17 175.596 175.596 176.218 -0.622 18227 2566 1 8 . 1 1 17 17 SER CA C 17 60.767 60.767 60.905 -0.138 18227 2567 1 8 . 1 1 17 17 SER CB C 17 63.325 63.325 63.601 -0.276 18227 2568 1 8 . 1 1 17 17 SER H H 17 8.380 8.380 8.188 0.192 18227 2569 1 8 . 1 1 18 18 GLU N N 18 120.901 120.901 121.553 -0.652 18227 2570 1 8 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.068 0.391 18227 2571 1 8 . 1 1 18 18 GLU C C 18 177.867 177.867 178.240 -0.373 18227 2572 1 8 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.876 -0.653 18227 2573 1 8 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.601 -0.536 18227 2574 1 8 . 1 1 18 18 GLU H H 18 8.233 8.233 8.527 -0.294 18227 2575 1 8 . 1 1 19 19 CYS N N 19 118.899 118.899 118.045 0.854 18227 2576 1 8 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.257 0.219 18227 2577 1 8 . 1 1 19 19 CYS C C 19 175.896 175.896 176.157 -0.261 18227 2578 1 8 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.041 0.221 18227 2579 1 8 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.707 -0.648 18227 2580 1 8 . 1 1 19 19 CYS H H 19 8.245 8.245 7.364 0.881 18227 2581 1 8 . 1 1 20 20 GLU N N 20 120.324 120.324 119.837 0.487 18227 2582 1 8 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.241 0.086 18227 2583 1 8 . 1 1 20 20 GLU C C 20 177.163 177.163 177.573 -0.410 18227 2584 1 8 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.229 0.143 18227 2585 1 8 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.391 -1.347 18227 2586 1 8 . 1 1 20 20 GLU H H 20 8.299 8.299 8.584 -0.285 18227 2587 1 8 . 1 1 21 21 TYR N N 21 118.601 118.601 122.580 -3.979 18227 2588 1 8 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.300 0.305 18227 2589 1 8 . 1 1 21 21 TYR C C 21 177.166 177.166 177.218 -0.052 18227 2590 1 8 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.010 -1.604 18227 2591 1 8 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.594 -0.116 18227 2592 1 8 . 1 1 21 21 TYR H H 21 8.165 8.165 7.720 0.445 18227 2593 1 8 . 1 1 22 22 THR N N 22 112.362 112.362 110.532 1.830 18227 2594 1 8 . 1 1 22 22 THR HA H 22 4.203 4.203 4.139 0.064 18227 2595 1 8 . 1 1 22 22 THR C C 22 176.226 176.226 175.774 0.452 18227 2596 1 8 . 1 1 22 22 THR CA C 22 64.825 64.825 64.809 0.016 18227 2597 1 8 . 1 1 22 22 THR CB C 22 69.471 69.471 68.524 0.947 18227 2598 1 8 . 1 1 22 22 THR H H 22 8.063 8.063 8.007 0.056 18227 2599 1 8 . 1 1 23 23 ASP N N 23 121.414 121.414 121.796 -0.382 18227 2600 1 8 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.688 0.055 18227 2601 1 8 . 1 1 23 23 ASP C C 23 176.664 176.664 177.391 -0.727 18227 2602 1 8 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.546 -2.387 18227 2603 1 8 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.666 -4.191 18227 2604 1 8 . 1 1 23 23 ASP H H 23 8.355 8.355 7.592 0.763 18227 2605 1 8 . 1 1 24 24 TRP N N 24 121.858 121.858 122.444 -0.586 18227 2606 1 8 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.050 0.590 18227 2607 1 8 . 1 1 24 24 TRP C C 24 178.311 178.311 177.745 0.566 18227 2608 1 8 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.228 -1.584 18227 2609 1 8 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.401 -0.658 18227 2610 1 8 . 1 1 24 24 TRP H H 24 8.363 8.363 8.766 -0.403 18227 2611 1 8 . 1 1 25 25 LYS N N 25 120.099 120.099 117.755 2.344 18227 2612 1 8 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.508 1.568 18227 2613 1 8 . 1 1 25 25 LYS C C 25 177.946 177.946 177.849 0.097 18227 2614 1 8 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.281 -0.147 18227 2615 1 8 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.662 0.608 18227 2616 1 8 . 1 1 25 25 LYS H H 25 8.291 8.291 7.287 1.004 18227 2617 1 8 . 1 1 26 26 SER N N 26 113.558 113.558 114.243 -0.685 18227 2618 1 8 . 1 1 26 26 SER HA H 26 4.541 4.541 4.284 0.257 18227 2619 1 8 . 1 1 26 26 SER C C 26 175.212 175.212 176.356 -1.144 18227 2620 1 8 . 1 1 26 26 SER CA C 26 59.813 59.813 60.824 -1.011 18227 2621 1 8 . 1 1 26 26 SER CB C 26 63.672 63.672 63.563 0.109 18227 2622 1 8 . 1 1 26 26 SER H H 26 8.088 8.088 7.914 0.174 18227 2623 1 8 . 1 1 27 27 SER N N 27 116.456 116.456 117.669 -1.213 18227 2624 1 8 . 1 1 27 27 SER HA H 27 4.534 4.534 4.428 0.106 18227 2625 1 8 . 1 1 27 27 SER C C 27 175.216 175.216 176.221 -1.005 18227 2626 1 8 . 1 1 27 27 SER CA C 27 60.042 60.042 60.243 -0.201 18227 2627 1 8 . 1 1 27 27 SER CB C 27 63.782 63.782 62.870 0.913 18227 2628 1 8 . 1 1 27 27 SER H H 27 8.025 8.025 8.559 -0.534 18227 2629 1 8 . 1 1 28 28 GLY N N 28 108.769 108.769 108.528 0.241 18227 2630 1 8 . 1 1 28 28 GLY C C 28 174.198 174.198 173.973 0.225 18227 2631 1 8 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.626 1.249 18227 2632 1 8 . 1 1 28 28 GLY H H 28 8.051 8.051 7.921 0.130 18227 2633 1 8 . 1 1 29 29 ALA N N 29 121.719 121.719 122.537 -0.818 18227 2634 1 8 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.392 0.019 18227 2635 1 8 . 1 1 29 29 ALA C C 29 177.554 177.554 177.498 0.056 18227 2636 1 8 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.904 0.181 18227 2637 1 8 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.050 -0.276 18227 2638 1 8 . 1 1 29 29 ALA H H 29 7.749 7.749 7.510 0.239 18227 2639 1 8 . 1 1 30 30 LEU N N 30 118.220 118.220 112.786 5.434 18227 2640 1 8 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.715 -0.169 18227 2641 1 8 . 1 1 30 30 LEU C C 30 176.978 176.978 177.297 -0.319 18227 2642 1 8 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.615 0.052 18227 2643 1 8 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.048 -0.292 18227 2644 1 8 . 1 1 30 30 LEU H H 30 7.660 7.660 7.281 0.379 18227 2645 1 8 . 1 1 31 31 ILE N N 31 118.934 118.934 122.423 -3.489 18227 2646 1 8 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.155 0.230 18227 2647 1 8 . 1 1 31 31 ILE C C 31 175.025 175.025 174.648 0.377 18227 2648 1 8 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.920 -3.244 18227 2649 1 8 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.047 1.524 18227 2650 1 8 . 1 1 31 31 ILE H H 31 7.446 7.446 7.466 -0.020 18227 2651 1 8 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.224 0.255 18227 2652 1 8 . 1 1 32 32 PRO C C 32 177.601 177.601 177.830 -0.229 18227 2653 1 8 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.661 -0.341 18227 2654 1 8 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.717 0.518 18227 2655 1 8 . 1 1 33 33 ALA N N 33 118.822 118.822 121.526 -2.704 18227 2656 1 8 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.089 0.278 18227 2657 1 8 . 1 1 33 33 ALA C C 33 179.269 179.269 179.594 -0.325 18227 2658 1 8 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.059 -0.242 18227 2659 1 8 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.320 -0.428 18227 2660 1 8 . 1 1 33 33 ALA H H 33 7.293 7.293 7.516 -0.223 18227 2661 1 8 . 1 1 34 34 ILE N N 34 116.953 116.953 119.411 -2.458 18227 2662 1 8 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.676 0.414 18227 2663 1 8 . 1 1 34 34 ILE C C 34 177.061 177.061 178.080 -1.019 18227 2664 1 8 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.163 -0.178 18227 2665 1 8 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.497 0.622 18227 2666 1 8 . 1 1 34 34 ILE H H 34 7.766 7.766 8.016 -0.250 18227 2667 1 8 . 1 1 35 35 TYR N N 35 118.432 118.432 118.598 -0.166 18227 2668 1 8 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.978 0.390 18227 2669 1 8 . 1 1 35 35 TYR C C 35 178.052 178.052 178.383 -0.331 18227 2670 1 8 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.254 -1.132 18227 2671 1 8 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.313 -0.377 18227 2672 1 8 . 1 1 35 35 TYR H H 35 7.988 7.988 7.726 0.262 18227 2673 1 8 . 1 1 36 36 MET N N 36 117.042 117.042 117.347 -0.305 18227 2674 1 8 . 1 1 36 36 MET HA H 36 4.534 4.534 4.216 0.318 18227 2675 1 8 . 1 1 36 36 MET C C 36 177.734 177.734 178.679 -0.945 18227 2676 1 8 . 1 1 36 36 MET CA C 36 58.272 58.272 57.822 0.450 18227 2677 1 8 . 1 1 36 36 MET CB C 36 31.979 31.979 32.185 -0.206 18227 2678 1 8 . 1 1 36 36 MET H H 36 7.934 7.934 8.309 -0.375 18227 2679 1 8 . 1 1 37 37 LEU N N 37 120.539 120.539 118.610 1.929 18227 2680 1 8 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.111 0.232 18227 2681 1 8 . 1 1 37 37 LEU C C 37 178.746 178.746 177.888 0.858 18227 2682 1 8 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.926 0.786 18227 2683 1 8 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.986 0.052 18227 2684 1 8 . 1 1 37 37 LEU H H 37 8.013 8.013 8.267 -0.254 18227 2685 1 8 . 1 1 38 38 VAL N N 38 117.729 117.729 116.241 1.488 18227 2686 1 8 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.982 -0.204 18227 2687 1 8 . 1 1 38 38 VAL C C 38 179.009 179.009 175.817 3.192 18227 2688 1 8 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.310 3.889 18227 2689 1 8 . 1 1 38 38 VAL CB C 38 31.665 31.665 33.375 -1.710 18227 2690 1 8 . 1 1 38 38 VAL H H 38 8.360 8.360 7.406 0.954 18227 2691 1 8 . 1 1 39 39 PHE N N 39 120.549 120.549 120.264 0.285 18227 2692 1 8 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.468 -0.043 18227 2693 1 8 . 1 1 39 39 PHE C C 39 179.129 179.129 175.460 3.669 18227 2694 1 8 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.063 2.459 18227 2695 1 8 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.274 -2.171 18227 2696 1 8 . 1 1 39 39 PHE H H 39 8.225 8.225 8.103 0.122 18227 2697 1 8 . 1 1 40 40 LEU N N 40 122.778 122.778 114.008 8.770 18227 2698 1 8 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.651 -0.484 18227 2699 1 8 . 1 1 40 40 LEU C C 40 180.673 180.673 176.167 4.506 18227 2700 1 8 . 1 1 40 40 LEU CA C 40 58.638 58.638 54.593 4.045 18227 2701 1 8 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.603 -0.439 18227 2702 1 8 . 1 1 40 40 LEU H H 40 8.874 8.874 7.945 0.929 18227 2703 1 8 . 1 1 41 41 LEU N N 41 122.144 122.144 119.356 2.788 18227 2704 1 8 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.455 -0.219 18227 2705 1 8 . 1 1 41 41 LEU C C 41 180.709 180.709 178.095 2.614 18227 2706 1 8 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.240 2.230 18227 2707 1 8 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.259 -1.481 18227 2708 1 8 . 1 1 41 41 LEU H H 41 9.193 9.193 7.639 1.554 18227 2709 1 8 . 1 1 42 42 GLY N N 42 107.124 107.124 105.635 1.489 18227 2710 1 8 . 1 1 42 42 GLY C C 42 176.537 176.537 174.208 2.329 18227 2711 1 8 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.679 1.054 18227 2712 1 8 . 1 1 42 42 GLY H H 42 8.755 8.755 7.816 0.939 18227 2713 1 8 . 1 1 43 43 THR N N 43 113.411 113.411 112.850 0.561 18227 2714 1 8 . 1 1 43 43 THR HA H 43 4.299 4.299 4.473 -0.174 18227 2715 1 8 . 1 1 43 43 THR C C 43 176.797 176.797 173.826 2.971 18227 2716 1 8 . 1 1 43 43 THR CA C 43 64.990 64.990 61.144 3.846 18227 2717 1 8 . 1 1 43 43 THR CB C 43 69.731 69.731 68.993 0.738 18227 2718 1 8 . 1 1 43 43 THR H H 43 8.179 8.179 7.616 0.563 18227 2719 1 8 . 1 1 44 44 THR N N 44 114.667 114.667 116.085 -1.418 18227 2720 1 8 . 1 1 44 44 THR HA H 44 4.366 4.366 4.312 0.054 18227 2721 1 8 . 1 1 44 44 THR C C 44 176.375 176.375 174.717 1.658 18227 2722 1 8 . 1 1 44 44 THR CA C 44 64.833 64.833 63.984 0.849 18227 2723 1 8 . 1 1 44 44 THR CB C 44 69.988 69.988 70.778 -0.790 18227 2724 1 8 . 1 1 44 44 THR H H 44 8.026 8.026 7.769 0.257 18227 2725 1 8 . 1 1 45 45 GLY N N 45 109.336 109.336 108.645 0.691 18227 2726 1 8 . 1 1 45 45 GLY C C 45 174.924 174.924 174.872 0.052 18227 2727 1 8 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.347 1.380 18227 2728 1 8 . 1 1 45 45 GLY H H 45 8.261 8.261 8.232 0.029 18227 2729 1 8 . 1 1 46 46 ASN N N 46 117.547 117.547 118.974 -1.427 18227 2730 1 8 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.722 0.017 18227 2731 1 8 . 1 1 46 46 ASN C C 46 176.815 176.815 177.471 -0.656 18227 2732 1 8 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.963 0.387 18227 2733 1 8 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.208 -0.715 18227 2734 1 8 . 1 1 46 46 ASN H H 46 8.083 8.083 8.397 -0.314 18227 2735 1 8 . 1 1 47 47 GLY N N 47 106.960 106.960 108.648 -1.688 18227 2736 1 8 . 1 1 47 47 GLY C C 47 175.001 175.001 176.467 -1.466 18227 2737 1 8 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.979 0.008 18227 2738 1 8 . 1 1 47 47 GLY H H 47 8.318 8.318 8.512 -0.194 18227 2739 1 8 . 1 1 48 48 LEU N N 48 120.991 120.991 121.831 -0.840 18227 2740 1 8 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.108 0.381 18227 2741 1 8 . 1 1 48 48 LEU C C 48 180.375 180.375 178.648 1.727 18227 2742 1 8 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.620 0.628 18227 2743 1 8 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.920 0.127 18227 2744 1 8 . 1 1 48 48 LEU H H 48 7.999 7.999 7.565 0.434 18227 2745 1 8 . 1 1 49 49 VAL N N 49 121.040 121.040 118.694 2.346 18227 2746 1 8 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.670 0.163 18227 2747 1 8 . 1 1 49 49 VAL C C 49 178.016 178.016 178.104 -0.088 18227 2748 1 8 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.891 0.327 18227 2749 1 8 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.375 0.565 18227 2750 1 8 . 1 1 49 49 VAL H H 49 7.989 7.989 7.380 0.609 18227 2751 1 8 . 1 1 50 50 LEU N N 50 119.986 119.986 119.166 0.820 18227 2752 1 8 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.900 0.297 18227 2753 1 8 . 1 1 50 50 LEU C C 50 178.823 178.823 179.244 -0.421 18227 2754 1 8 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.947 0.743 18227 2755 1 8 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.275 0.390 18227 2756 1 8 . 1 1 50 50 LEU H H 50 7.926 7.926 7.829 0.097 18227 2757 1 8 . 1 1 51 51 TRP N N 51 117.842 117.842 120.331 -2.489 18227 2758 1 8 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.290 0.397 18227 2759 1 8 . 1 1 51 51 TRP C C 51 178.729 178.729 177.820 0.909 18227 2760 1 8 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.770 -0.390 18227 2761 1 8 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.753 -0.212 18227 2762 1 8 . 1 1 51 51 TRP H H 51 8.525 8.525 7.949 0.576 18227 2763 1 8 . 1 1 52 52 THR N N 52 114.722 114.722 115.727 -1.005 18227 2764 1 8 . 1 1 52 52 THR HA H 52 4.007 4.007 3.663 0.344 18227 2765 1 8 . 1 1 52 52 THR C C 52 176.228 176.228 177.133 -0.905 18227 2766 1 8 . 1 1 52 52 THR CA C 52 67.517 67.517 67.075 0.442 18227 2767 1 8 . 1 1 52 52 THR CB C 52 69.051 69.051 68.968 0.083 18227 2768 1 8 . 1 1 52 52 THR H H 52 8.248 8.248 8.536 -0.288 18227 2769 1 8 . 1 1 53 53 VAL N N 53 123.008 123.008 122.282 0.726 18227 2770 1 8 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.771 -0.023 18227 2771 1 8 . 1 1 53 53 VAL C C 53 178.474 178.474 177.336 1.138 18227 2772 1 8 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.475 0.980 18227 2773 1 8 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.407 0.433 18227 2774 1 8 . 1 1 53 53 VAL H H 53 8.634 8.634 8.749 -0.115 18227 2775 1 8 . 1 1 54 54 PHE N N 54 119.554 119.554 117.570 1.984 18227 2776 1 8 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.126 0.284 18227 2777 1 8 . 1 1 54 54 PHE C C 54 179.173 179.173 177.135 2.038 18227 2778 1 8 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.947 0.140 18227 2779 1 8 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.060 0.730 18227 2780 1 8 . 1 1 54 54 PHE H H 54 8.860 8.860 8.092 0.768 18227 2781 1 8 . 1 1 55 55 ARG N N 55 118.355 118.355 116.252 2.103 18227 2782 1 8 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.130 -0.010 18227 2783 1 8 . 1 1 55 55 ARG C C 55 178.719 178.719 177.412 1.307 18227 2784 1 8 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.300 1.676 18227 2785 1 8 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.699 -0.621 18227 2786 1 8 . 1 1 55 55 ARG H H 55 8.296 8.296 7.448 0.848 18227 2787 1 8 . 1 1 56 56 LYS N N 56 119.698 119.698 118.344 1.354 18227 2788 1 8 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.431 -0.138 18227 2789 1 8 . 1 1 56 56 LYS C C 56 178.742 178.742 177.723 1.019 18227 2790 1 8 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.577 0.474 18227 2791 1 8 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.815 -0.044 18227 2792 1 8 . 1 1 56 56 LYS H H 56 8.377 8.377 8.189 0.188 18227 2793 1 8 . 1 1 57 57 LYS N N 57 119.104 119.104 119.118 -0.014 18227 2794 1 8 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.518 -0.173 18227 2795 1 8 . 1 1 57 57 LYS C C 57 178.311 178.311 177.860 0.451 18227 2796 1 8 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.969 1.163 18227 2797 1 8 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.472 -0.782 18227 2798 1 8 . 1 1 57 57 LYS H H 57 8.610 8.610 8.542 0.068 18227 2799 1 8 . 1 1 58 58 GLY N N 58 106.684 106.684 107.873 -1.189 18227 2800 1 8 . 1 1 58 58 GLY C C 58 174.451 174.451 175.579 -1.128 18227 2801 1 8 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.184 -0.271 18227 2802 1 8 . 1 1 58 58 GLY H H 58 8.154 8.154 7.933 0.221 18227 2803 1 8 . 1 1 59 59 HIS N N 59 116.995 116.995 119.783 -2.788 18227 2804 1 8 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.389 0.386 18227 2805 1 8 . 1 1 59 59 HIS C C 59 174.529 174.529 176.056 -1.527 18227 2806 1 8 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.208 -2.068 18227 2807 1 8 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.428 -0.801 18227 2808 1 8 . 1 1 59 59 HIS H H 59 8.106 8.106 7.872 0.234 18227 2809 1 8 . 1 1 60 60 HIS N N 60 117.887 117.887 116.203 1.684 18227 2810 1 8 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.693 0.153 18227 2811 1 8 . 1 1 60 60 HIS C C 60 174.247 174.247 175.088 -0.841 18227 2812 1 8 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.471 -0.563 18227 2813 1 8 . 1 1 60 60 HIS CB C 60 29.050 29.050 28.802 0.248 18227 2814 1 8 . 1 1 60 60 HIS H H 60 8.425 8.425 7.838 0.587 18227 2815 1 8 . 1 1 61 61 HIS N N 61 118.329 118.329 119.235 -0.906 18227 2816 1 8 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.692 0.181 18227 2817 1 8 . 1 1 61 61 HIS C C 61 174.139 174.139 175.399 -1.260 18227 2818 1 8 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.040 -0.246 18227 2819 1 8 . 1 1 61 61 HIS CB C 61 29.270 29.270 29.637 -0.367 18227 2820 1 8 . 1 1 61 61 HIS H H 61 8.573 8.573 7.917 0.656 18227 2821 1 8 . 1 1 62 62 HIS N N 62 118.968 118.968 119.005 -0.037 18227 2822 1 8 . 1 1 62 62 HIS HA H 62 4.875 4.875 3.997 0.878 18227 2823 1 8 . 1 1 62 62 HIS C C 62 173.827 173.827 174.962 -1.135 18227 2824 1 8 . 1 1 62 62 HIS CA C 62 55.768 55.768 58.617 -2.849 18227 2825 1 8 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.817 0.451 18227 2826 1 8 . 1 1 62 62 HIS H H 62 8.662 8.662 8.622 0.040 18227 2827 1 8 . 1 1 63 63 HIS N N 63 118.949 118.949 120.900 -1.951 18227 2828 1 8 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.621 0.229 18227 2829 1 8 . 1 1 63 63 HIS C C 63 173.433 173.433 175.866 -2.433 18227 2830 1 8 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.723 1.066 18227 2831 1 8 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.549 1.913 18227 2832 1 8 . 1 1 63 63 HIS H H 63 8.518 8.518 8.425 0.093 18227 2833 1 9 . 1 1 2 2 GLU N N 2 122.322 122.322 122.495 -0.173 18227 2834 1 9 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.567 0.111 18227 2835 1 9 . 1 1 2 2 GLU C C 2 175.160 175.160 175.760 -0.600 18227 2836 1 9 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.832 -0.739 18227 2837 1 9 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.794 -1.619 18227 2838 1 9 . 1 1 2 2 GLU H H 2 8.641 8.641 8.426 0.215 18227 2839 1 9 . 1 1 3 3 GLU N N 3 121.391 121.391 122.347 -0.956 18227 2840 1 9 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.214 0.416 18227 2841 1 9 . 1 1 3 3 GLU C C 3 176.097 176.097 176.154 -0.057 18227 2842 1 9 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.305 -1.218 18227 2843 1 9 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.067 -0.883 18227 2844 1 9 . 1 1 3 3 GLU H H 3 8.448 8.448 8.552 -0.104 18227 2845 1 9 . 1 1 4 4 GLY N N 4 109.002 109.002 111.828 -2.826 18227 2846 1 9 . 1 1 4 4 GLY C C 4 174.407 174.407 173.451 0.956 18227 2847 1 9 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.942 0.503 18227 2848 1 9 . 1 1 4 4 GLY H H 4 8.333 8.333 8.339 -0.006 18227 2849 1 9 . 1 1 5 5 GLY N N 5 107.419 107.419 111.885 -4.466 18227 2850 1 9 . 1 1 5 5 GLY C C 5 173.914 173.914 172.441 1.473 18227 2851 1 9 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.609 0.881 18227 2852 1 9 . 1 1 5 5 GLY H H 5 8.120 8.120 7.989 0.131 18227 2853 1 9 . 1 1 6 6 ASP N N 6 117.918 117.918 119.097 -1.179 18227 2854 1 9 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.380 0.526 18227 2855 1 9 . 1 1 6 6 ASP C C 6 175.114 175.114 174.520 0.594 18227 2856 1 9 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.801 -0.682 18227 2857 1 9 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.039 -3.080 18227 2858 1 9 . 1 1 6 6 ASP H H 6 8.204 8.204 6.187 2.017 18227 2859 1 9 . 1 1 7 7 PHE N N 7 119.801 119.801 118.809 0.992 18227 2860 1 9 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.824 -0.114 18227 2861 1 9 . 1 1 7 7 PHE C C 7 175.789 175.789 175.570 0.219 18227 2862 1 9 . 1 1 7 7 PHE CA C 7 58.676 58.676 56.599 2.077 18227 2863 1 9 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.775 -0.606 18227 2864 1 9 . 1 1 7 7 PHE H H 7 8.072 8.072 7.037 1.035 18227 2865 1 9 . 1 1 8 8 ASP N N 8 117.963 117.963 118.837 -0.874 18227 2866 1 9 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.101 0.676 18227 2867 1 9 . 1 1 8 8 ASP C C 8 174.919 174.919 175.571 -0.652 18227 2868 1 9 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.603 -1.023 18227 2869 1 9 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.516 -2.793 18227 2870 1 9 . 1 1 8 8 ASP H H 8 8.184 8.184 8.721 -0.537 18227 2871 1 9 . 1 1 9 9 ASN N N 9 117.736 117.736 117.230 0.506 18227 2872 1 9 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.354 0.436 18227 2873 1 9 . 1 1 9 9 ASN C C 9 174.974 174.974 174.780 0.194 18227 2874 1 9 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.224 -1.488 18227 2875 1 9 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.584 -0.014 18227 2876 1 9 . 1 1 9 9 ASN H H 9 8.080 8.080 8.020 0.060 18227 2877 1 9 . 1 1 10 10 TYR N N 10 119.580 119.580 118.970 0.610 18227 2878 1 9 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.152 0.474 18227 2879 1 9 . 1 1 10 10 TYR C C 10 175.935 175.935 175.428 0.507 18227 2880 1 9 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.817 -1.038 18227 2881 1 9 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.786 0.728 18227 2882 1 9 . 1 1 10 10 TYR H H 10 7.869 7.869 7.858 0.011 18227 2883 1 9 . 1 1 11 11 TYR N N 11 120.254 120.254 125.442 -5.188 18227 2884 1 9 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.870 0.749 18227 2885 1 9 . 1 1 11 11 TYR C C 11 176.666 176.666 174.206 2.460 18227 2886 1 9 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.059 0.797 18227 2887 1 9 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.355 2.133 18227 2888 1 9 . 1 1 11 11 TYR H H 11 7.906 7.906 8.857 -0.951 18227 2889 1 9 . 1 1 12 12 GLY N N 12 108.226 108.226 105.650 2.576 18227 2890 1 9 . 1 1 12 12 GLY C C 12 174.314 174.314 172.983 1.331 18227 2891 1 9 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.662 0.118 18227 2892 1 9 . 1 1 12 12 GLY H H 12 7.817 7.817 8.071 -0.254 18227 2893 1 9 . 1 1 13 13 ALA N N 13 122.970 122.970 122.077 0.893 18227 2894 1 9 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.502 -0.032 18227 2895 1 9 . 1 1 13 13 ALA C C 13 178.137 178.137 177.278 0.859 18227 2896 1 9 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.808 0.642 18227 2897 1 9 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.236 -1.553 18227 2898 1 9 . 1 1 13 13 ALA H H 13 7.913 7.913 7.673 0.240 18227 2899 1 9 . 1 1 14 14 ASP N N 14 116.374 116.374 119.654 -3.280 18227 2900 1 9 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.605 0.270 18227 2901 1 9 . 1 1 14 14 ASP C C 14 175.450 175.450 177.563 -2.113 18227 2902 1 9 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.509 -2.869 18227 2903 1 9 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.100 -3.238 18227 2904 1 9 . 1 1 14 14 ASP H H 14 8.348 8.348 8.452 -0.104 18227 2905 1 9 . 1 1 15 15 ASN N N 15 118.423 118.423 118.034 0.389 18227 2906 1 9 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.236 0.634 18227 2907 1 9 . 1 1 15 15 ASN C C 15 176.054 176.054 176.606 -0.552 18227 2908 1 9 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.769 -1.341 18227 2909 1 9 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.303 0.379 18227 2910 1 9 . 1 1 15 15 ASN H H 15 8.272 8.272 8.605 -0.333 18227 2911 1 9 . 1 1 16 16 GLN N N 16 120.129 120.129 114.769 5.360 18227 2912 1 9 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.204 0.212 18227 2913 1 9 . 1 1 16 16 GLN C C 16 177.337 177.337 177.725 -0.388 18227 2914 1 9 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.850 0.406 18227 2915 1 9 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.315 0.469 18227 2916 1 9 . 1 1 16 16 GLN H H 16 8.481 8.481 8.254 0.227 18227 2917 1 9 . 1 1 17 17 SER N N 17 115.051 115.051 116.728 -1.677 18227 2918 1 9 . 1 1 17 17 SER HA H 17 4.505 4.505 4.226 0.279 18227 2919 1 9 . 1 1 17 17 SER C C 17 175.596 175.596 176.498 -0.902 18227 2920 1 9 . 1 1 17 17 SER CA C 17 60.767 60.767 61.131 -0.364 18227 2921 1 9 . 1 1 17 17 SER CB C 17 63.325 63.325 62.925 0.400 18227 2922 1 9 . 1 1 17 17 SER H H 17 8.380 8.380 8.126 0.254 18227 2923 1 9 . 1 1 18 18 GLU N N 18 120.901 120.901 120.713 0.188 18227 2924 1 9 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.068 0.391 18227 2925 1 9 . 1 1 18 18 GLU C C 18 177.867 177.867 178.521 -0.654 18227 2926 1 9 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.026 -0.803 18227 2927 1 9 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.334 -1.269 18227 2928 1 9 . 1 1 18 18 GLU H H 18 8.233 8.233 8.237 -0.004 18227 2929 1 9 . 1 1 19 19 CYS N N 19 118.899 118.899 115.271 3.628 18227 2930 1 9 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.487 -0.011 18227 2931 1 9 . 1 1 19 19 CYS C C 19 175.896 175.896 176.194 -0.298 18227 2932 1 9 . 1 1 19 19 CYS CA C 19 61.262 61.262 60.526 0.736 18227 2933 1 9 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.474 -1.415 18227 2934 1 9 . 1 1 19 19 CYS H H 19 8.245 8.245 7.352 0.893 18227 2935 1 9 . 1 1 20 20 GLU N N 20 120.324 120.324 120.630 -0.306 18227 2936 1 9 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.318 0.009 18227 2937 1 9 . 1 1 20 20 GLU C C 20 177.163 177.163 178.728 -1.565 18227 2938 1 9 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.592 -0.220 18227 2939 1 9 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.896 -1.852 18227 2940 1 9 . 1 1 20 20 GLU H H 20 8.299 8.299 8.502 -0.203 18227 2941 1 9 . 1 1 21 21 TYR N N 21 118.601 118.601 121.285 -2.684 18227 2942 1 9 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.357 0.248 18227 2943 1 9 . 1 1 21 21 TYR C C 21 177.166 177.166 177.431 -0.265 18227 2944 1 9 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.436 -2.030 18227 2945 1 9 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.640 -0.162 18227 2946 1 9 . 1 1 21 21 TYR H H 21 8.165 8.165 8.990 -0.825 18227 2947 1 9 . 1 1 22 22 THR N N 22 112.362 112.362 110.455 1.907 18227 2948 1 9 . 1 1 22 22 THR HA H 22 4.203 4.203 4.250 -0.047 18227 2949 1 9 . 1 1 22 22 THR C C 22 176.226 176.226 175.597 0.629 18227 2950 1 9 . 1 1 22 22 THR CA C 22 64.825 64.825 64.328 0.497 18227 2951 1 9 . 1 1 22 22 THR CB C 22 69.471 69.471 68.245 1.226 18227 2952 1 9 . 1 1 22 22 THR H H 22 8.063 8.063 8.353 -0.290 18227 2953 1 9 . 1 1 23 23 ASP N N 23 121.414 121.414 121.807 -0.393 18227 2954 1 9 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.721 0.022 18227 2955 1 9 . 1 1 23 23 ASP C C 23 176.664 176.664 177.409 -0.745 18227 2956 1 9 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.904 -1.745 18227 2957 1 9 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.416 -3.941 18227 2958 1 9 . 1 1 23 23 ASP H H 23 8.355 8.355 8.061 0.294 18227 2959 1 9 . 1 1 24 24 TRP N N 24 121.858 121.858 122.579 -0.721 18227 2960 1 9 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.079 0.561 18227 2961 1 9 . 1 1 24 24 TRP C C 24 178.311 178.311 177.500 0.811 18227 2962 1 9 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.919 -1.275 18227 2963 1 9 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.381 -0.638 18227 2964 1 9 . 1 1 24 24 TRP H H 24 8.363 8.363 8.750 -0.387 18227 2965 1 9 . 1 1 25 25 LYS N N 25 120.099 120.099 116.565 3.534 18227 2966 1 9 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.456 1.620 18227 2967 1 9 . 1 1 25 25 LYS C C 25 177.946 177.946 177.955 -0.009 18227 2968 1 9 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.188 -0.054 18227 2969 1 9 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.524 0.746 18227 2970 1 9 . 1 1 25 25 LYS H H 25 8.291 8.291 7.289 1.002 18227 2971 1 9 . 1 1 26 26 SER N N 26 113.558 113.558 111.561 1.997 18227 2972 1 9 . 1 1 26 26 SER HA H 26 4.541 4.541 4.350 0.191 18227 2973 1 9 . 1 1 26 26 SER C C 26 175.212 175.212 176.135 -0.923 18227 2974 1 9 . 1 1 26 26 SER CA C 26 59.813 59.813 59.665 0.148 18227 2975 1 9 . 1 1 26 26 SER CB C 26 63.672 63.672 63.917 -0.245 18227 2976 1 9 . 1 1 26 26 SER H H 26 8.088 8.088 8.013 0.075 18227 2977 1 9 . 1 1 27 27 SER N N 27 116.456 116.456 117.766 -1.310 18227 2978 1 9 . 1 1 27 27 SER HA H 27 4.534 4.534 4.480 0.054 18227 2979 1 9 . 1 1 27 27 SER C C 27 175.216 175.216 175.756 -0.540 18227 2980 1 9 . 1 1 27 27 SER CA C 27 60.042 60.042 59.190 0.853 18227 2981 1 9 . 1 1 27 27 SER CB C 27 63.782 63.782 62.691 1.091 18227 2982 1 9 . 1 1 27 27 SER H H 27 8.025 8.025 8.485 -0.460 18227 2983 1 9 . 1 1 28 28 GLY N N 28 108.769 108.769 108.791 -0.022 18227 2984 1 9 . 1 1 28 28 GLY C C 28 174.198 174.198 173.969 0.229 18227 2985 1 9 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.965 0.910 18227 2986 1 9 . 1 1 28 28 GLY H H 28 8.051 8.051 7.683 0.368 18227 2987 1 9 . 1 1 29 29 ALA N N 29 121.719 121.719 123.906 -2.187 18227 2988 1 9 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.458 -0.047 18227 2989 1 9 . 1 1 29 29 ALA C C 29 177.554 177.554 176.393 1.161 18227 2990 1 9 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.300 0.785 18227 2991 1 9 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.401 1.373 18227 2992 1 9 . 1 1 29 29 ALA H H 29 7.749 7.749 7.609 0.140 18227 2993 1 9 . 1 1 30 30 LEU N N 30 118.220 118.220 112.142 6.078 18227 2994 1 9 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.500 0.046 18227 2995 1 9 . 1 1 30 30 LEU C C 30 176.978 176.978 177.115 -0.137 18227 2996 1 9 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.002 -0.335 18227 2997 1 9 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.245 0.511 18227 2998 1 9 . 1 1 30 30 LEU H H 30 7.660 7.660 7.330 0.330 18227 2999 1 9 . 1 1 31 31 ILE N N 31 118.934 118.934 122.352 -3.418 18227 3000 1 9 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.138 0.247 18227 3001 1 9 . 1 1 31 31 ILE C C 31 175.025 175.025 174.757 0.268 18227 3002 1 9 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.596 -3.920 18227 3003 1 9 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.135 1.436 18227 3004 1 9 . 1 1 31 31 ILE H H 31 7.446 7.446 7.573 -0.127 18227 3005 1 9 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.297 0.182 18227 3006 1 9 . 1 1 32 32 PRO C C 32 177.601 177.601 177.880 -0.279 18227 3007 1 9 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.778 -0.457 18227 3008 1 9 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.727 0.508 18227 3009 1 9 . 1 1 33 33 ALA N N 33 118.822 118.822 121.656 -2.834 18227 3010 1 9 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.077 0.290 18227 3011 1 9 . 1 1 33 33 ALA C C 33 179.269 179.269 179.657 -0.388 18227 3012 1 9 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.133 -0.315 18227 3013 1 9 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.270 -0.378 18227 3014 1 9 . 1 1 33 33 ALA H H 33 7.293 7.293 7.423 -0.130 18227 3015 1 9 . 1 1 34 34 ILE N N 34 116.953 116.953 119.462 -2.509 18227 3016 1 9 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.622 0.468 18227 3017 1 9 . 1 1 34 34 ILE C C 34 177.061 177.061 177.782 -0.721 18227 3018 1 9 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.264 -1.279 18227 3019 1 9 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.978 0.141 18227 3020 1 9 . 1 1 34 34 ILE H H 34 7.766 7.766 7.855 -0.089 18227 3021 1 9 . 1 1 35 35 TYR N N 35 118.432 118.432 119.964 -1.532 18227 3022 1 9 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.965 0.403 18227 3023 1 9 . 1 1 35 35 TYR C C 35 178.052 178.052 178.235 -0.183 18227 3024 1 9 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.450 -1.328 18227 3025 1 9 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.452 -0.516 18227 3026 1 9 . 1 1 35 35 TYR H H 35 7.988 7.988 7.915 0.073 18227 3027 1 9 . 1 1 36 36 MET N N 36 117.042 117.042 117.620 -0.578 18227 3028 1 9 . 1 1 36 36 MET HA H 36 4.534 4.534 4.229 0.305 18227 3029 1 9 . 1 1 36 36 MET C C 36 177.734 177.734 178.630 -0.896 18227 3030 1 9 . 1 1 36 36 MET CA C 36 58.272 58.272 57.785 0.487 18227 3031 1 9 . 1 1 36 36 MET CB C 36 31.979 31.979 32.127 -0.148 18227 3032 1 9 . 1 1 36 36 MET H H 36 7.934 7.934 8.381 -0.447 18227 3033 1 9 . 1 1 37 37 LEU N N 37 120.539 120.539 120.499 0.040 18227 3034 1 9 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.063 0.280 18227 3035 1 9 . 1 1 37 37 LEU C C 37 178.746 178.746 178.557 0.189 18227 3036 1 9 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.949 0.763 18227 3037 1 9 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.946 0.092 18227 3038 1 9 . 1 1 37 37 LEU H H 37 8.013 8.013 8.156 -0.143 18227 3039 1 9 . 1 1 38 38 VAL N N 38 117.729 117.729 115.957 1.772 18227 3040 1 9 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.902 -0.125 18227 3041 1 9 . 1 1 38 38 VAL C C 38 179.009 179.009 177.533 1.476 18227 3042 1 9 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.470 1.729 18227 3043 1 9 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.209 -0.544 18227 3044 1 9 . 1 1 38 38 VAL H H 38 8.360 8.360 8.438 -0.078 18227 3045 1 9 . 1 1 39 39 PHE N N 39 120.549 120.549 122.974 -2.425 18227 3046 1 9 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.302 0.123 18227 3047 1 9 . 1 1 39 39 PHE C C 39 179.129 179.129 177.150 1.979 18227 3048 1 9 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.823 -0.301 18227 3049 1 9 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.750 -0.647 18227 3050 1 9 . 1 1 39 39 PHE H H 39 8.225 8.225 8.048 0.177 18227 3051 1 9 . 1 1 40 40 LEU N N 40 122.778 122.778 115.997 6.781 18227 3052 1 9 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.420 -0.253 18227 3053 1 9 . 1 1 40 40 LEU C C 40 180.673 180.673 176.793 3.880 18227 3054 1 9 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.172 1.466 18227 3055 1 9 . 1 1 40 40 LEU CB C 40 42.164 42.164 40.987 1.177 18227 3056 1 9 . 1 1 40 40 LEU H H 40 8.874 8.874 8.466 0.408 18227 3057 1 9 . 1 1 41 41 LEU N N 41 122.144 122.144 119.443 2.701 18227 3058 1 9 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.424 -0.188 18227 3059 1 9 . 1 1 41 41 LEU C C 41 180.709 180.709 178.583 2.126 18227 3060 1 9 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.663 1.807 18227 3061 1 9 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.774 -0.996 18227 3062 1 9 . 1 1 41 41 LEU H H 41 9.193 9.193 7.492 1.701 18227 3063 1 9 . 1 1 42 42 GLY N N 42 107.124 107.124 104.219 2.905 18227 3064 1 9 . 1 1 42 42 GLY C C 42 176.537 176.537 174.756 1.781 18227 3065 1 9 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.069 0.664 18227 3066 1 9 . 1 1 42 42 GLY H H 42 8.755 8.755 7.884 0.871 18227 3067 1 9 . 1 1 43 43 THR N N 43 113.411 113.411 115.686 -2.275 18227 3068 1 9 . 1 1 43 43 THR HA H 43 4.299 4.299 4.527 -0.228 18227 3069 1 9 . 1 1 43 43 THR C C 43 176.797 176.797 173.733 3.064 18227 3070 1 9 . 1 1 43 43 THR CA C 43 64.990 64.990 61.008 3.982 18227 3071 1 9 . 1 1 43 43 THR CB C 43 69.731 69.731 68.551 1.180 18227 3072 1 9 . 1 1 43 43 THR H H 43 8.179 8.179 7.771 0.408 18227 3073 1 9 . 1 1 44 44 THR N N 44 114.667 114.667 117.799 -3.132 18227 3074 1 9 . 1 1 44 44 THR HA H 44 4.366 4.366 4.504 -0.138 18227 3075 1 9 . 1 1 44 44 THR C C 44 176.375 176.375 175.265 1.110 18227 3076 1 9 . 1 1 44 44 THR CA C 44 64.833 64.833 64.492 0.341 18227 3077 1 9 . 1 1 44 44 THR CB C 44 69.988 69.988 70.344 -0.355 18227 3078 1 9 . 1 1 44 44 THR H H 44 8.026 8.026 7.778 0.248 18227 3079 1 9 . 1 1 45 45 GLY N N 45 109.336 109.336 109.549 -0.213 18227 3080 1 9 . 1 1 45 45 GLY C C 45 174.924 174.924 175.310 -0.386 18227 3081 1 9 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.071 1.656 18227 3082 1 9 . 1 1 45 45 GLY H H 45 8.261 8.261 8.012 0.249 18227 3083 1 9 . 1 1 46 46 ASN N N 46 117.547 117.547 120.381 -2.834 18227 3084 1 9 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.506 0.233 18227 3085 1 9 . 1 1 46 46 ASN C C 46 176.815 176.815 176.946 -0.131 18227 3086 1 9 . 1 1 46 46 ASN CA C 46 55.350 55.350 56.356 -1.006 18227 3087 1 9 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.262 0.231 18227 3088 1 9 . 1 1 46 46 ASN H H 46 8.083 8.083 8.062 0.021 18227 3089 1 9 . 1 1 47 47 GLY N N 47 106.960 106.960 107.566 -0.606 18227 3090 1 9 . 1 1 47 47 GLY C C 47 175.001 175.001 176.209 -1.208 18227 3091 1 9 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.476 0.511 18227 3092 1 9 . 1 1 47 47 GLY H H 47 8.318 8.318 8.298 0.020 18227 3093 1 9 . 1 1 48 48 LEU N N 48 120.991 120.991 122.308 -1.317 18227 3094 1 9 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.118 0.371 18227 3095 1 9 . 1 1 48 48 LEU C C 48 180.375 180.375 178.658 1.717 18227 3096 1 9 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.486 0.762 18227 3097 1 9 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.986 0.061 18227 3098 1 9 . 1 1 48 48 LEU H H 48 7.999 7.999 7.610 0.389 18227 3099 1 9 . 1 1 49 49 VAL N N 49 121.040 121.040 119.183 1.857 18227 3100 1 9 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.663 0.170 18227 3101 1 9 . 1 1 49 49 VAL C C 49 178.016 178.016 178.085 -0.069 18227 3102 1 9 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.094 0.123 18227 3103 1 9 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.325 0.615 18227 3104 1 9 . 1 1 49 49 VAL H H 49 7.989 7.989 7.732 0.257 18227 3105 1 9 . 1 1 50 50 LEU N N 50 119.986 119.986 119.296 0.690 18227 3106 1 9 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.006 0.191 18227 3107 1 9 . 1 1 50 50 LEU C C 50 178.823 178.823 179.500 -0.677 18227 3108 1 9 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.095 0.595 18227 3109 1 9 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.562 0.103 18227 3110 1 9 . 1 1 50 50 LEU H H 50 7.926 7.926 7.872 0.054 18227 3111 1 9 . 1 1 51 51 TRP N N 51 117.842 117.842 120.368 -2.526 18227 3112 1 9 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.454 0.233 18227 3113 1 9 . 1 1 51 51 TRP C C 51 178.729 178.729 178.048 0.681 18227 3114 1 9 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.895 -0.515 18227 3115 1 9 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.862 -0.321 18227 3116 1 9 . 1 1 51 51 TRP H H 51 8.525 8.525 8.098 0.427 18227 3117 1 9 . 1 1 52 52 THR N N 52 114.722 114.722 116.151 -1.429 18227 3118 1 9 . 1 1 52 52 THR HA H 52 4.007 4.007 3.608 0.399 18227 3119 1 9 . 1 1 52 52 THR C C 52 176.228 176.228 177.102 -0.874 18227 3120 1 9 . 1 1 52 52 THR CA C 52 67.517 67.517 67.166 0.351 18227 3121 1 9 . 1 1 52 52 THR CB C 52 69.051 69.051 68.881 0.170 18227 3122 1 9 . 1 1 52 52 THR H H 52 8.248 8.248 8.597 -0.349 18227 3123 1 9 . 1 1 53 53 VAL N N 53 123.008 123.008 122.227 0.781 18227 3124 1 9 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.692 0.056 18227 3125 1 9 . 1 1 53 53 VAL C C 53 178.474 178.474 176.984 1.490 18227 3126 1 9 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.410 1.045 18227 3127 1 9 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.293 0.548 18227 3128 1 9 . 1 1 53 53 VAL H H 53 8.634 8.634 8.670 -0.036 18227 3129 1 9 . 1 1 54 54 PHE N N 54 119.554 119.554 118.062 1.492 18227 3130 1 9 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.082 0.328 18227 3131 1 9 . 1 1 54 54 PHE C C 54 179.173 179.173 176.898 2.275 18227 3132 1 9 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.643 -0.556 18227 3133 1 9 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.766 0.024 18227 3134 1 9 . 1 1 54 54 PHE H H 54 8.860 8.860 7.798 1.062 18227 3135 1 9 . 1 1 55 55 ARG N N 55 118.355 118.355 116.837 1.518 18227 3136 1 9 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.229 -0.109 18227 3137 1 9 . 1 1 55 55 ARG C C 55 178.719 178.719 176.618 2.101 18227 3138 1 9 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.333 1.643 18227 3139 1 9 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.655 -0.577 18227 3140 1 9 . 1 1 55 55 ARG H H 55 8.296 8.296 7.471 0.825 18227 3141 1 9 . 1 1 56 56 LYS N N 56 119.698 119.698 118.528 1.170 18227 3142 1 9 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.291 0.002 18227 3143 1 9 . 1 1 56 56 LYS C C 56 178.742 178.742 177.619 1.123 18227 3144 1 9 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.972 1.079 18227 3145 1 9 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.815 -1.044 18227 3146 1 9 . 1 1 56 56 LYS H H 56 8.377 8.377 7.989 0.388 18227 3147 1 9 . 1 1 57 57 LYS N N 57 119.104 119.104 119.715 -0.611 18227 3148 1 9 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.368 -0.023 18227 3149 1 9 . 1 1 57 57 LYS C C 57 178.311 178.311 178.576 -0.265 18227 3150 1 9 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.703 0.429 18227 3151 1 9 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.418 -0.728 18227 3152 1 9 . 1 1 57 57 LYS H H 57 8.610 8.610 8.486 0.124 18227 3153 1 9 . 1 1 58 58 GLY N N 58 106.684 106.684 107.978 -1.294 18227 3154 1 9 . 1 1 58 58 GLY C C 58 174.451 174.451 174.735 -0.284 18227 3155 1 9 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.583 -0.670 18227 3156 1 9 . 1 1 58 58 GLY H H 58 8.154 8.154 7.631 0.523 18227 3157 1 9 . 1 1 59 59 HIS N N 59 116.995 116.995 118.826 -1.831 18227 3158 1 9 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.257 0.518 18227 3159 1 9 . 1 1 59 59 HIS C C 59 174.529 174.529 175.218 -0.689 18227 3160 1 9 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.245 -1.105 18227 3161 1 9 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.550 -0.923 18227 3162 1 9 . 1 1 59 59 HIS H H 59 8.106 8.106 8.127 -0.021 18227 3163 1 9 . 1 1 60 60 HIS N N 60 117.887 117.887 118.236 -0.349 18227 3164 1 9 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.283 0.563 18227 3165 1 9 . 1 1 60 60 HIS C C 60 174.247 174.247 173.662 0.585 18227 3166 1 9 . 1 1 60 60 HIS CA C 60 55.907 55.907 53.874 2.033 18227 3167 1 9 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.078 -1.028 18227 3168 1 9 . 1 1 60 60 HIS H H 60 8.425 8.425 7.255 1.170 18227 3169 1 9 . 1 1 61 61 HIS N N 61 118.329 118.329 124.468 -6.139 18227 3170 1 9 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.189 0.684 18227 3171 1 9 . 1 1 61 61 HIS C C 61 174.139 174.139 174.850 -0.711 18227 3172 1 9 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.655 -0.861 18227 3173 1 9 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.631 -1.361 18227 3174 1 9 . 1 1 61 61 HIS H H 61 8.573 8.573 8.326 0.247 18227 3175 1 9 . 1 1 62 62 HIS N N 62 118.968 118.968 116.294 2.674 18227 3176 1 9 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.039 0.836 18227 3177 1 9 . 1 1 62 62 HIS C C 62 173.827 173.827 175.059 -1.232 18227 3178 1 9 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.748 -1.980 18227 3179 1 9 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.202 -0.934 18227 3180 1 9 . 1 1 62 62 HIS H H 62 8.662 8.662 7.870 0.792 18227 3181 1 9 . 1 1 63 63 HIS N N 63 118.949 118.949 115.744 3.205 18227 3182 1 9 . 1 1 63 63 HIS HA H 63 4.850 4.850 5.067 -0.217 18227 3183 1 9 . 1 1 63 63 HIS C C 63 173.433 173.433 174.917 -1.484 18227 3184 1 9 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.257 0.532 18227 3185 1 9 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.003 0.459 18227 3186 1 9 . 1 1 63 63 HIS H H 63 8.518 8.518 8.238 0.280 18227 3187 1 10 . 1 1 2 2 GLU N N 2 122.322 122.322 122.867 -0.545 18227 3188 1 10 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.474 0.204 18227 3189 1 10 . 1 1 2 2 GLU C C 2 175.160 175.160 176.702 -1.542 18227 3190 1 10 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.737 0.356 18227 3191 1 10 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.007 1.168 18227 3192 1 10 . 1 1 2 2 GLU H H 2 8.641 8.641 8.367 0.274 18227 3193 1 10 . 1 1 3 3 GLU N N 3 121.391 121.391 123.952 -2.561 18227 3194 1 10 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.168 0.462 18227 3195 1 10 . 1 1 3 3 GLU C C 3 176.097 176.097 177.317 -1.220 18227 3196 1 10 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.443 -0.356 18227 3197 1 10 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.968 -0.784 18227 3198 1 10 . 1 1 3 3 GLU H H 3 8.448 8.448 8.077 0.371 18227 3199 1 10 . 1 1 4 4 GLY N N 4 109.002 109.002 108.232 0.770 18227 3200 1 10 . 1 1 4 4 GLY C C 4 174.407 174.407 175.186 -0.779 18227 3201 1 10 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.007 1.438 18227 3202 1 10 . 1 1 4 4 GLY H H 4 8.333 8.333 8.160 0.173 18227 3203 1 10 . 1 1 5 5 GLY N N 5 107.419 107.419 110.850 -3.431 18227 3204 1 10 . 1 1 5 5 GLY C C 5 173.914 173.914 173.518 0.396 18227 3205 1 10 . 1 1 5 5 GLY CA C 5 45.490 45.490 46.152 -0.662 18227 3206 1 10 . 1 1 5 5 GLY H H 5 8.120 8.120 8.585 -0.465 18227 3207 1 10 . 1 1 6 6 ASP N N 6 117.918 117.918 118.092 -0.174 18227 3208 1 10 . 1 1 6 6 ASP HA H 6 4.906 4.906 3.837 1.069 18227 3209 1 10 . 1 1 6 6 ASP C C 6 175.114 175.114 174.551 0.563 18227 3210 1 10 . 1 1 6 6 ASP CA C 6 53.119 53.119 52.630 0.489 18227 3211 1 10 . 1 1 6 6 ASP CB C 6 37.959 37.959 39.298 -1.339 18227 3212 1 10 . 1 1 6 6 ASP H H 6 8.204 8.204 7.977 0.227 18227 3213 1 10 . 1 1 7 7 PHE N N 7 119.801 119.801 117.851 1.950 18227 3214 1 10 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.197 0.513 18227 3215 1 10 . 1 1 7 7 PHE C C 7 175.789 175.789 175.361 0.428 18227 3216 1 10 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.577 1.099 18227 3217 1 10 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.011 1.158 18227 3218 1 10 . 1 1 7 7 PHE H H 7 8.072 8.072 8.103 -0.031 18227 3219 1 10 . 1 1 8 8 ASP N N 8 117.963 117.963 121.433 -3.470 18227 3220 1 10 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.704 0.073 18227 3221 1 10 . 1 1 8 8 ASP C C 8 174.919 174.919 176.149 -1.230 18227 3222 1 10 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.703 -0.123 18227 3223 1 10 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.262 -2.539 18227 3224 1 10 . 1 1 8 8 ASP H H 8 8.184 8.184 8.734 -0.550 18227 3225 1 10 . 1 1 9 9 ASN N N 9 117.736 117.736 118.929 -1.193 18227 3226 1 10 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.468 0.322 18227 3227 1 10 . 1 1 9 9 ASN C C 9 174.974 174.974 175.279 -0.305 18227 3228 1 10 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.725 0.011 18227 3229 1 10 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.842 -0.272 18227 3230 1 10 . 1 1 9 9 ASN H H 9 8.080 8.080 7.836 0.244 18227 3231 1 10 . 1 1 10 10 TYR N N 10 119.580 119.580 120.165 -0.585 18227 3232 1 10 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.172 0.454 18227 3233 1 10 . 1 1 10 10 TYR C C 10 175.935 175.935 173.881 2.054 18227 3234 1 10 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.177 -0.398 18227 3235 1 10 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.674 1.840 18227 3236 1 10 . 1 1 10 10 TYR H H 10 7.869 7.869 8.382 -0.513 18227 3237 1 10 . 1 1 11 11 TYR N N 11 120.254 120.254 124.709 -4.455 18227 3238 1 10 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.022 0.597 18227 3239 1 10 . 1 1 11 11 TYR C C 11 176.666 176.666 174.471 2.195 18227 3240 1 10 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.378 0.478 18227 3241 1 10 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.830 1.658 18227 3242 1 10 . 1 1 11 11 TYR H H 11 7.906 7.906 8.944 -1.038 18227 3243 1 10 . 1 1 12 12 GLY N N 12 108.226 108.226 105.394 2.832 18227 3244 1 10 . 1 1 12 12 GLY C C 12 174.314 174.314 172.486 1.828 18227 3245 1 10 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.608 0.172 18227 3246 1 10 . 1 1 12 12 GLY H H 12 7.817 7.817 8.397 -0.580 18227 3247 1 10 . 1 1 13 13 ALA N N 13 122.970 122.970 121.551 1.419 18227 3248 1 10 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.822 -0.352 18227 3249 1 10 . 1 1 13 13 ALA C C 13 178.137 178.137 176.504 1.633 18227 3250 1 10 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.114 1.336 18227 3251 1 10 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.653 -0.970 18227 3252 1 10 . 1 1 13 13 ALA H H 13 7.913 7.913 7.852 0.061 18227 3253 1 10 . 1 1 14 14 ASP N N 14 116.374 116.374 119.003 -2.629 18227 3254 1 10 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.568 0.307 18227 3255 1 10 . 1 1 14 14 ASP C C 14 175.450 175.450 177.512 -2.062 18227 3256 1 10 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.536 -1.896 18227 3257 1 10 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.236 -3.374 18227 3258 1 10 . 1 1 14 14 ASP H H 14 8.348 8.348 8.420 -0.072 18227 3259 1 10 . 1 1 15 15 ASN N N 15 118.423 118.423 118.572 -0.149 18227 3260 1 10 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.495 0.375 18227 3261 1 10 . 1 1 15 15 ASN C C 15 176.054 176.054 176.655 -0.601 18227 3262 1 10 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.810 -1.382 18227 3263 1 10 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.307 0.375 18227 3264 1 10 . 1 1 15 15 ASN H H 15 8.272 8.272 8.606 -0.334 18227 3265 1 10 . 1 1 16 16 GLN N N 16 120.129 120.129 111.968 8.161 18227 3266 1 10 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.396 0.020 18227 3267 1 10 . 1 1 16 16 GLN C C 16 177.337 177.337 176.095 1.242 18227 3268 1 10 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.019 1.237 18227 3269 1 10 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.732 0.052 18227 3270 1 10 . 1 1 16 16 GLN H H 16 8.481 8.481 8.330 0.151 18227 3271 1 10 . 1 1 17 17 SER N N 17 115.051 115.051 116.279 -1.228 18227 3272 1 10 . 1 1 17 17 SER HA H 17 4.505 4.505 4.450 0.055 18227 3273 1 10 . 1 1 17 17 SER C C 17 175.596 175.596 176.005 -0.409 18227 3274 1 10 . 1 1 17 17 SER CA C 17 60.767 60.767 60.281 0.486 18227 3275 1 10 . 1 1 17 17 SER CB C 17 63.325 63.325 64.939 -1.614 18227 3276 1 10 . 1 1 17 17 SER H H 17 8.380 8.380 8.109 0.271 18227 3277 1 10 . 1 1 18 18 GLU N N 18 120.901 120.901 123.243 -2.342 18227 3278 1 10 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.078 0.381 18227 3279 1 10 . 1 1 18 18 GLU C C 18 177.867 177.867 178.688 -0.821 18227 3280 1 10 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.544 -1.321 18227 3281 1 10 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.484 -1.419 18227 3282 1 10 . 1 1 18 18 GLU H H 18 8.233 8.233 8.712 -0.479 18227 3283 1 10 . 1 1 19 19 CYS N N 19 118.899 118.899 115.326 3.573 18227 3284 1 10 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.158 0.318 18227 3285 1 10 . 1 1 19 19 CYS C C 19 175.896 175.896 176.860 -0.964 18227 3286 1 10 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.879 -1.617 18227 3287 1 10 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.658 0.401 18227 3288 1 10 . 1 1 19 19 CYS H H 19 8.245 8.245 8.560 -0.315 18227 3289 1 10 . 1 1 20 20 GLU N N 20 120.324 120.324 118.790 1.534 18227 3290 1 10 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.315 0.012 18227 3291 1 10 . 1 1 20 20 GLU C C 20 177.163 177.163 178.519 -1.356 18227 3292 1 10 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.083 0.289 18227 3293 1 10 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.518 -1.474 18227 3294 1 10 . 1 1 20 20 GLU H H 20 8.299 8.299 7.415 0.884 18227 3295 1 10 . 1 1 21 21 TYR N N 21 118.601 118.601 122.073 -3.472 18227 3296 1 10 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.327 0.278 18227 3297 1 10 . 1 1 21 21 TYR C C 21 177.166 177.166 177.766 -0.600 18227 3298 1 10 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.006 -1.600 18227 3299 1 10 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.441 0.037 18227 3300 1 10 . 1 1 21 21 TYR H H 21 8.165 8.165 8.734 -0.569 18227 3301 1 10 . 1 1 22 22 THR N N 22 112.362 112.362 110.671 1.691 18227 3302 1 10 . 1 1 22 22 THR HA H 22 4.203 4.203 4.187 0.016 18227 3303 1 10 . 1 1 22 22 THR C C 22 176.226 176.226 175.674 0.552 18227 3304 1 10 . 1 1 22 22 THR CA C 22 64.825 64.825 65.475 -0.650 18227 3305 1 10 . 1 1 22 22 THR CB C 22 69.471 69.471 68.724 0.747 18227 3306 1 10 . 1 1 22 22 THR H H 22 8.063 8.063 7.933 0.130 18227 3307 1 10 . 1 1 23 23 ASP N N 23 121.414 121.414 122.477 -1.063 18227 3308 1 10 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.717 0.026 18227 3309 1 10 . 1 1 23 23 ASP C C 23 176.664 176.664 177.505 -0.841 18227 3310 1 10 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.129 -1.970 18227 3311 1 10 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.566 -4.091 18227 3312 1 10 . 1 1 23 23 ASP H H 23 8.355 8.355 8.155 0.200 18227 3313 1 10 . 1 1 24 24 TRP N N 24 121.858 121.858 121.394 0.464 18227 3314 1 10 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.193 0.447 18227 3315 1 10 . 1 1 24 24 TRP C C 24 178.311 178.311 176.644 1.667 18227 3316 1 10 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.061 -1.417 18227 3317 1 10 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.382 -0.639 18227 3318 1 10 . 1 1 24 24 TRP H H 24 8.363 8.363 8.568 -0.205 18227 3319 1 10 . 1 1 25 25 LYS N N 25 120.099 120.099 116.646 3.453 18227 3320 1 10 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.897 1.179 18227 3321 1 10 . 1 1 25 25 LYS C C 25 177.946 177.946 177.363 0.583 18227 3322 1 10 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.546 0.588 18227 3323 1 10 . 1 1 25 25 LYS CB C 25 32.270 32.270 32.201 0.069 18227 3324 1 10 . 1 1 25 25 LYS H H 25 8.291 8.291 7.396 0.895 18227 3325 1 10 . 1 1 26 26 SER N N 26 113.558 113.558 112.427 1.131 18227 3326 1 10 . 1 1 26 26 SER HA H 26 4.541 4.541 4.360 0.181 18227 3327 1 10 . 1 1 26 26 SER C C 26 175.212 175.212 174.744 0.468 18227 3328 1 10 . 1 1 26 26 SER CA C 26 59.813 59.813 59.851 -0.038 18227 3329 1 10 . 1 1 26 26 SER CB C 26 63.672 63.672 64.079 -0.407 18227 3330 1 10 . 1 1 26 26 SER H H 26 8.088 8.088 7.910 0.178 18227 3331 1 10 . 1 1 27 27 SER N N 27 116.456 116.456 115.761 0.695 18227 3332 1 10 . 1 1 27 27 SER HA H 27 4.534 4.534 4.629 -0.095 18227 3333 1 10 . 1 1 27 27 SER C C 27 175.216 175.216 175.639 -0.423 18227 3334 1 10 . 1 1 27 27 SER CA C 27 60.042 60.042 59.623 0.419 18227 3335 1 10 . 1 1 27 27 SER CB C 27 63.782 63.782 64.203 -0.421 18227 3336 1 10 . 1 1 27 27 SER H H 27 8.025 8.025 8.253 -0.228 18227 3337 1 10 . 1 1 28 28 GLY N N 28 108.769 108.769 109.754 -0.985 18227 3338 1 10 . 1 1 28 28 GLY C C 28 174.198 174.198 174.266 -0.068 18227 3339 1 10 . 1 1 28 28 GLY CA C 28 45.875 45.875 46.686 -0.811 18227 3340 1 10 . 1 1 28 28 GLY H H 28 8.051 8.051 7.690 0.361 18227 3341 1 10 . 1 1 29 29 ALA N N 29 121.719 121.719 120.864 0.855 18227 3342 1 10 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.218 0.193 18227 3343 1 10 . 1 1 29 29 ALA C C 29 177.554 177.554 177.319 0.235 18227 3344 1 10 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.754 0.331 18227 3345 1 10 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.736 0.038 18227 3346 1 10 . 1 1 29 29 ALA H H 29 7.749 7.749 7.734 0.015 18227 3347 1 10 . 1 1 30 30 LEU N N 30 118.220 118.220 111.734 6.486 18227 3348 1 10 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.754 -0.208 18227 3349 1 10 . 1 1 30 30 LEU C C 30 176.978 176.978 177.164 -0.186 18227 3350 1 10 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.459 0.207 18227 3351 1 10 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.311 -0.555 18227 3352 1 10 . 1 1 30 30 LEU H H 30 7.660 7.660 7.759 -0.099 18227 3353 1 10 . 1 1 31 31 ILE N N 31 118.934 118.934 122.422 -3.488 18227 3354 1 10 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.168 0.217 18227 3355 1 10 . 1 1 31 31 ILE C C 31 175.025 175.025 174.946 0.079 18227 3356 1 10 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.247 -1.571 18227 3357 1 10 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.603 1.968 18227 3358 1 10 . 1 1 31 31 ILE H H 31 7.446 7.446 8.377 -0.931 18227 3359 1 10 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.286 0.193 18227 3360 1 10 . 1 1 32 32 PRO C C 32 177.601 177.601 177.967 -0.366 18227 3361 1 10 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.254 0.066 18227 3362 1 10 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.714 0.521 18227 3363 1 10 . 1 1 33 33 ALA N N 33 118.822 118.822 122.098 -3.276 18227 3364 1 10 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.059 0.308 18227 3365 1 10 . 1 1 33 33 ALA C C 33 179.269 179.269 179.507 -0.238 18227 3366 1 10 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.412 -0.595 18227 3367 1 10 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.050 -0.158 18227 3368 1 10 . 1 1 33 33 ALA H H 33 7.293 7.293 7.460 -0.167 18227 3369 1 10 . 1 1 34 34 ILE N N 34 116.953 116.953 119.577 -2.624 18227 3370 1 10 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.749 0.341 18227 3371 1 10 . 1 1 34 34 ILE C C 34 177.061 177.061 178.146 -1.085 18227 3372 1 10 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.767 0.218 18227 3373 1 10 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.593 0.526 18227 3374 1 10 . 1 1 34 34 ILE H H 34 7.766 7.766 7.880 -0.114 18227 3375 1 10 . 1 1 35 35 TYR N N 35 118.432 118.432 119.297 -0.865 18227 3376 1 10 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.063 0.305 18227 3377 1 10 . 1 1 35 35 TYR C C 35 178.052 178.052 177.947 0.105 18227 3378 1 10 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.417 -1.295 18227 3379 1 10 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.455 -0.519 18227 3380 1 10 . 1 1 35 35 TYR H H 35 7.988 7.988 7.608 0.380 18227 3381 1 10 . 1 1 36 36 MET N N 36 117.042 117.042 118.466 -1.424 18227 3382 1 10 . 1 1 36 36 MET HA H 36 4.534 4.534 4.187 0.347 18227 3383 1 10 . 1 1 36 36 MET C C 36 177.734 177.734 178.436 -0.702 18227 3384 1 10 . 1 1 36 36 MET CA C 36 58.272 58.272 57.773 0.499 18227 3385 1 10 . 1 1 36 36 MET CB C 36 31.979 31.979 32.035 -0.056 18227 3386 1 10 . 1 1 36 36 MET H H 36 7.934 7.934 8.550 -0.616 18227 3387 1 10 . 1 1 37 37 LEU N N 37 120.539 120.539 119.917 0.622 18227 3388 1 10 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.075 0.268 18227 3389 1 10 . 1 1 37 37 LEU C C 37 178.746 178.746 177.844 0.902 18227 3390 1 10 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.267 0.445 18227 3391 1 10 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.143 -0.105 18227 3392 1 10 . 1 1 37 37 LEU H H 37 8.013 8.013 8.448 -0.435 18227 3393 1 10 . 1 1 38 38 VAL N N 38 117.729 117.729 116.119 1.610 18227 3394 1 10 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.003 -0.226 18227 3395 1 10 . 1 1 38 38 VAL C C 38 179.009 179.009 176.146 2.863 18227 3396 1 10 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.162 3.037 18227 3397 1 10 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.299 -0.634 18227 3398 1 10 . 1 1 38 38 VAL H H 38 8.360 8.360 7.299 1.061 18227 3399 1 10 . 1 1 39 39 PHE N N 39 120.549 120.549 121.778 -1.229 18227 3400 1 10 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.465 -0.040 18227 3401 1 10 . 1 1 39 39 PHE C C 39 179.129 179.129 177.144 1.985 18227 3402 1 10 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.381 0.141 18227 3403 1 10 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.866 -1.763 18227 3404 1 10 . 1 1 39 39 PHE H H 39 8.225 8.225 8.107 0.118 18227 3405 1 10 . 1 1 40 40 LEU N N 40 122.778 122.778 113.077 9.701 18227 3406 1 10 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.463 -0.296 18227 3407 1 10 . 1 1 40 40 LEU C C 40 180.673 180.673 177.012 3.661 18227 3408 1 10 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.581 2.057 18227 3409 1 10 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.771 0.393 18227 3410 1 10 . 1 1 40 40 LEU H H 40 8.874 8.874 8.221 0.653 18227 3411 1 10 . 1 1 41 41 LEU N N 41 122.144 122.144 117.188 4.956 18227 3412 1 10 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.577 -0.341 18227 3413 1 10 . 1 1 41 41 LEU C C 41 180.709 180.709 177.423 3.286 18227 3414 1 10 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.853 3.617 18227 3415 1 10 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.081 -1.303 18227 3416 1 10 . 1 1 41 41 LEU H H 41 9.193 9.193 7.587 1.606 18227 3417 1 10 . 1 1 42 42 GLY N N 42 107.124 107.124 106.489 0.635 18227 3418 1 10 . 1 1 42 42 GLY C C 42 176.537 176.537 174.319 2.218 18227 3419 1 10 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.611 1.122 18227 3420 1 10 . 1 1 42 42 GLY H H 42 8.755 8.755 7.386 1.369 18227 3421 1 10 . 1 1 43 43 THR N N 43 113.411 113.411 114.066 -0.655 18227 3422 1 10 . 1 1 43 43 THR HA H 43 4.299 4.299 4.374 -0.075 18227 3423 1 10 . 1 1 43 43 THR C C 43 176.797 176.797 173.995 2.802 18227 3424 1 10 . 1 1 43 43 THR CA C 43 64.990 64.990 61.746 3.244 18227 3425 1 10 . 1 1 43 43 THR CB C 43 69.731 69.731 69.434 0.297 18227 3426 1 10 . 1 1 43 43 THR H H 43 8.179 8.179 7.670 0.509 18227 3427 1 10 . 1 1 44 44 THR N N 44 114.667 114.667 116.071 -1.404 18227 3428 1 10 . 1 1 44 44 THR HA H 44 4.366 4.366 4.430 -0.064 18227 3429 1 10 . 1 1 44 44 THR C C 44 176.375 176.375 175.317 1.058 18227 3430 1 10 . 1 1 44 44 THR CA C 44 64.833 64.833 64.053 0.780 18227 3431 1 10 . 1 1 44 44 THR CB C 44 69.988 69.988 69.806 0.182 18227 3432 1 10 . 1 1 44 44 THR H H 44 8.026 8.026 7.935 0.091 18227 3433 1 10 . 1 1 45 45 GLY N N 45 109.336 109.336 109.704 -0.368 18227 3434 1 10 . 1 1 45 45 GLY C C 45 174.924 174.924 174.684 0.240 18227 3435 1 10 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.733 1.994 18227 3436 1 10 . 1 1 45 45 GLY H H 45 8.261 8.261 8.666 -0.405 18227 3437 1 10 . 1 1 46 46 ASN N N 46 117.547 117.547 118.507 -0.960 18227 3438 1 10 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.613 0.126 18227 3439 1 10 . 1 1 46 46 ASN C C 46 176.815 176.815 177.017 -0.202 18227 3440 1 10 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.258 1.092 18227 3441 1 10 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.132 0.361 18227 3442 1 10 . 1 1 46 46 ASN H H 46 8.083 8.083 7.800 0.283 18227 3443 1 10 . 1 1 47 47 GLY N N 47 106.960 106.960 109.038 -2.078 18227 3444 1 10 . 1 1 47 47 GLY C C 47 175.001 175.001 176.064 -1.063 18227 3445 1 10 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.727 0.260 18227 3446 1 10 . 1 1 47 47 GLY H H 47 8.318 8.318 8.355 -0.037 18227 3447 1 10 . 1 1 48 48 LEU N N 48 120.991 120.991 121.723 -0.732 18227 3448 1 10 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.066 0.423 18227 3449 1 10 . 1 1 48 48 LEU C C 48 180.375 180.375 178.806 1.569 18227 3450 1 10 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.832 0.416 18227 3451 1 10 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.865 0.182 18227 3452 1 10 . 1 1 48 48 LEU H H 48 7.999 7.999 7.763 0.236 18227 3453 1 10 . 1 1 49 49 VAL N N 49 121.040 121.040 118.249 2.791 18227 3454 1 10 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.712 0.121 18227 3455 1 10 . 1 1 49 49 VAL C C 49 178.016 178.016 178.142 -0.126 18227 3456 1 10 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.836 0.381 18227 3457 1 10 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.453 0.487 18227 3458 1 10 . 1 1 49 49 VAL H H 49 7.989 7.989 7.445 0.544 18227 3459 1 10 . 1 1 50 50 LEU N N 50 119.986 119.986 118.814 1.172 18227 3460 1 10 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.028 0.169 18227 3461 1 10 . 1 1 50 50 LEU C C 50 178.823 178.823 179.715 -0.892 18227 3462 1 10 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.807 0.883 18227 3463 1 10 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.249 0.416 18227 3464 1 10 . 1 1 50 50 LEU H H 50 7.926 7.926 8.015 -0.089 18227 3465 1 10 . 1 1 51 51 TRP N N 51 117.842 117.842 121.582 -3.740 18227 3466 1 10 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.559 0.128 18227 3467 1 10 . 1 1 51 51 TRP C C 51 178.729 178.729 177.498 1.231 18227 3468 1 10 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.890 -0.510 18227 3469 1 10 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.985 -0.444 18227 3470 1 10 . 1 1 51 51 TRP H H 51 8.525 8.525 8.570 -0.045 18227 3471 1 10 . 1 1 52 52 THR N N 52 114.722 114.722 116.131 -1.409 18227 3472 1 10 . 1 1 52 52 THR HA H 52 4.007 4.007 3.850 0.157 18227 3473 1 10 . 1 1 52 52 THR C C 52 176.228 176.228 176.690 -0.462 18227 3474 1 10 . 1 1 52 52 THR CA C 52 67.517 67.517 66.866 0.651 18227 3475 1 10 . 1 1 52 52 THR CB C 52 69.051 69.051 68.840 0.212 18227 3476 1 10 . 1 1 52 52 THR H H 52 8.248 8.248 8.548 -0.300 18227 3477 1 10 . 1 1 53 53 VAL N N 53 123.008 123.008 120.985 2.023 18227 3478 1 10 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.647 0.101 18227 3479 1 10 . 1 1 53 53 VAL C C 53 178.474 178.474 177.253 1.221 18227 3480 1 10 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.157 0.298 18227 3481 1 10 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.350 0.490 18227 3482 1 10 . 1 1 53 53 VAL H H 53 8.634 8.634 8.730 -0.096 18227 3483 1 10 . 1 1 54 54 PHE N N 54 119.554 119.554 118.166 1.388 18227 3484 1 10 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.062 0.348 18227 3485 1 10 . 1 1 54 54 PHE C C 54 179.173 179.173 176.986 2.187 18227 3486 1 10 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.729 -0.642 18227 3487 1 10 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.588 0.202 18227 3488 1 10 . 1 1 54 54 PHE H H 54 8.860 8.860 7.713 1.147 18227 3489 1 10 . 1 1 55 55 ARG N N 55 118.355 118.355 116.328 2.027 18227 3490 1 10 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.230 -0.110 18227 3491 1 10 . 1 1 55 55 ARG C C 55 178.719 178.719 177.359 1.360 18227 3492 1 10 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.571 1.405 18227 3493 1 10 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.541 -0.463 18227 3494 1 10 . 1 1 55 55 ARG H H 55 8.296 8.296 7.507 0.789 18227 3495 1 10 . 1 1 56 56 LYS N N 56 119.698 119.698 118.832 0.866 18227 3496 1 10 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.302 -0.009 18227 3497 1 10 . 1 1 56 56 LYS C C 56 178.742 178.742 177.751 0.991 18227 3498 1 10 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.433 0.618 18227 3499 1 10 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.018 -0.247 18227 3500 1 10 . 1 1 56 56 LYS H H 56 8.377 8.377 8.051 0.326 18227 3501 1 10 . 1 1 57 57 LYS N N 57 119.104 119.104 119.222 -0.118 18227 3502 1 10 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.429 -0.084 18227 3503 1 10 . 1 1 57 57 LYS C C 57 178.311 178.311 177.215 1.096 18227 3504 1 10 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.816 1.316 18227 3505 1 10 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.651 -0.961 18227 3506 1 10 . 1 1 57 57 LYS H H 57 8.610 8.610 8.384 0.226 18227 3507 1 10 . 1 1 58 58 GLY N N 58 106.684 106.684 106.343 0.341 18227 3508 1 10 . 1 1 58 58 GLY C C 58 174.451 174.451 174.941 -0.490 18227 3509 1 10 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.077 -0.164 18227 3510 1 10 . 1 1 58 58 GLY H H 58 8.154 8.154 7.723 0.431 18227 3511 1 10 . 1 1 59 59 HIS N N 59 116.995 116.995 118.607 -1.612 18227 3512 1 10 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.312 0.463 18227 3513 1 10 . 1 1 59 59 HIS C C 59 174.529 174.529 174.967 -0.438 18227 3514 1 10 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.417 -1.277 18227 3515 1 10 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.745 -1.119 18227 3516 1 10 . 1 1 59 59 HIS H H 59 8.106 8.106 7.799 0.307 18227 3517 1 10 . 1 1 60 60 HIS N N 60 117.887 117.887 118.239 -0.352 18227 3518 1 10 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.401 0.445 18227 3519 1 10 . 1 1 60 60 HIS C C 60 174.247 174.247 173.508 0.739 18227 3520 1 10 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.885 1.022 18227 3521 1 10 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.528 -0.478 18227 3522 1 10 . 1 1 60 60 HIS H H 60 8.425 8.425 7.331 1.094 18227 3523 1 10 . 1 1 61 61 HIS N N 61 118.329 118.329 122.501 -4.172 18227 3524 1 10 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.297 0.576 18227 3525 1 10 . 1 1 61 61 HIS C C 61 174.139 174.139 174.890 -0.751 18227 3526 1 10 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.309 -0.515 18227 3527 1 10 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.893 -1.623 18227 3528 1 10 . 1 1 61 61 HIS H H 61 8.573 8.573 8.176 0.397 18227 3529 1 10 . 1 1 62 62 HIS N N 62 118.968 118.968 117.581 1.387 18227 3530 1 10 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.119 0.756 18227 3531 1 10 . 1 1 62 62 HIS C C 62 173.827 173.827 175.169 -1.342 18227 3532 1 10 . 1 1 62 62 HIS CA C 62 55.768 55.768 58.459 -2.691 18227 3533 1 10 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.006 -0.738 18227 3534 1 10 . 1 1 62 62 HIS H H 62 8.662 8.662 8.308 0.354 18227 3535 1 10 . 1 1 63 63 HIS N N 63 118.949 118.949 115.747 3.202 18227 3536 1 10 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.522 0.328 18227 3537 1 10 . 1 1 63 63 HIS C C 63 173.433 173.433 174.530 -1.097 18227 3538 1 10 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.064 0.725 18227 3539 1 10 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.342 0.120 18227 3540 1 10 . 1 1 63 63 HIS H H 63 8.518 8.518 8.270 0.248 18227 3541 1 11 . 1 1 2 2 GLU N N 2 122.322 122.322 120.220 2.102 18227 3542 1 11 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.641 0.037 18227 3543 1 11 . 1 1 2 2 GLU C C 2 175.160 175.160 175.724 -0.564 18227 3544 1 11 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.176 -0.083 18227 3545 1 11 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.269 -1.094 18227 3546 1 11 . 1 1 2 2 GLU H H 2 8.641 8.641 8.150 0.491 18227 3547 1 11 . 1 1 3 3 GLU N N 3 121.391 121.391 121.764 -0.373 18227 3548 1 11 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.086 0.544 18227 3549 1 11 . 1 1 3 3 GLU C C 3 176.097 176.097 175.677 0.420 18227 3550 1 11 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.856 -0.769 18227 3551 1 11 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.666 -0.482 18227 3552 1 11 . 1 1 3 3 GLU H H 3 8.448 8.448 8.665 -0.217 18227 3553 1 11 . 1 1 4 4 GLY N N 4 109.002 109.002 107.774 1.228 18227 3554 1 11 . 1 1 4 4 GLY C C 4 174.407 174.407 173.063 1.344 18227 3555 1 11 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.903 0.542 18227 3556 1 11 . 1 1 4 4 GLY H H 4 8.333 8.333 8.315 0.018 18227 3557 1 11 . 1 1 5 5 GLY N N 5 107.419 107.419 108.013 -0.594 18227 3558 1 11 . 1 1 5 5 GLY C C 5 173.914 173.914 173.034 0.880 18227 3559 1 11 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.745 -0.255 18227 3560 1 11 . 1 1 5 5 GLY H H 5 8.120 8.120 8.024 0.096 18227 3561 1 11 . 1 1 6 6 ASP N N 6 117.918 117.918 121.952 -4.034 18227 3562 1 11 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.571 0.335 18227 3563 1 11 . 1 1 6 6 ASP C C 6 175.114 175.114 174.516 0.598 18227 3564 1 11 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.594 -0.475 18227 3565 1 11 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.569 -3.610 18227 3566 1 11 . 1 1 6 6 ASP H H 6 8.204 8.204 7.346 0.858 18227 3567 1 11 . 1 1 7 7 PHE N N 7 119.801 119.801 119.295 0.506 18227 3568 1 11 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.703 0.007 18227 3569 1 11 . 1 1 7 7 PHE C C 7 175.789 175.789 176.143 -0.354 18227 3570 1 11 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.069 1.607 18227 3571 1 11 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.285 -1.115 18227 3572 1 11 . 1 1 7 7 PHE H H 7 8.072 8.072 7.707 0.365 18227 3573 1 11 . 1 1 8 8 ASP N N 8 117.963 117.963 121.733 -3.770 18227 3574 1 11 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.474 0.303 18227 3575 1 11 . 1 1 8 8 ASP C C 8 174.919 174.919 176.157 -1.238 18227 3576 1 11 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.334 0.246 18227 3577 1 11 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.896 -3.173 18227 3578 1 11 . 1 1 8 8 ASP H H 8 8.184 8.184 8.813 -0.629 18227 3579 1 11 . 1 1 9 9 ASN N N 9 117.736 117.736 116.385 1.351 18227 3580 1 11 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.247 0.543 18227 3581 1 11 . 1 1 9 9 ASN C C 9 174.974 174.974 174.945 0.029 18227 3582 1 11 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.173 -1.437 18227 3583 1 11 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.581 -0.011 18227 3584 1 11 . 1 1 9 9 ASN H H 9 8.080 8.080 7.818 0.262 18227 3585 1 11 . 1 1 10 10 TYR N N 10 119.580 119.580 115.490 4.090 18227 3586 1 11 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.336 0.290 18227 3587 1 11 . 1 1 10 10 TYR C C 10 175.935 175.935 175.992 -0.057 18227 3588 1 11 . 1 1 10 10 TYR CA C 10 58.779 58.779 57.718 1.061 18227 3589 1 11 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.760 0.754 18227 3590 1 11 . 1 1 10 10 TYR H H 10 7.869 7.869 7.490 0.379 18227 3591 1 11 . 1 1 11 11 TYR N N 11 120.254 120.254 122.300 -2.046 18227 3592 1 11 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.249 0.370 18227 3593 1 11 . 1 1 11 11 TYR C C 11 176.666 176.666 174.849 1.817 18227 3594 1 11 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.644 0.212 18227 3595 1 11 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.693 0.795 18227 3596 1 11 . 1 1 11 11 TYR H H 11 7.906 7.906 8.949 -1.043 18227 3597 1 11 . 1 1 12 12 GLY N N 12 108.226 108.226 104.107 4.119 18227 3598 1 11 . 1 1 12 12 GLY C C 12 174.314 174.314 173.004 1.310 18227 3599 1 11 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.839 -0.059 18227 3600 1 11 . 1 1 12 12 GLY H H 12 7.817 7.817 7.927 -0.110 18227 3601 1 11 . 1 1 13 13 ALA N N 13 122.970 122.970 121.656 1.314 18227 3602 1 11 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.518 -0.048 18227 3603 1 11 . 1 1 13 13 ALA C C 13 178.137 178.137 177.138 0.999 18227 3604 1 11 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.274 0.176 18227 3605 1 11 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.516 -0.833 18227 3606 1 11 . 1 1 13 13 ALA H H 13 7.913 7.913 7.964 -0.051 18227 3607 1 11 . 1 1 14 14 ASP N N 14 116.374 116.374 119.473 -3.099 18227 3608 1 11 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.573 0.302 18227 3609 1 11 . 1 1 14 14 ASP C C 14 175.450 175.450 177.374 -1.924 18227 3610 1 11 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.422 -1.782 18227 3611 1 11 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.036 -3.174 18227 3612 1 11 . 1 1 14 14 ASP H H 14 8.348 8.348 8.317 0.031 18227 3613 1 11 . 1 1 15 15 ASN N N 15 118.423 118.423 118.090 0.333 18227 3614 1 11 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.487 0.383 18227 3615 1 11 . 1 1 15 15 ASN C C 15 176.054 176.054 176.424 -0.370 18227 3616 1 11 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.535 -2.107 18227 3617 1 11 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.399 0.283 18227 3618 1 11 . 1 1 15 15 ASN H H 15 8.272 8.272 8.793 -0.521 18227 3619 1 11 . 1 1 16 16 GLN N N 16 120.129 120.129 113.651 6.478 18227 3620 1 11 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.339 0.077 18227 3621 1 11 . 1 1 16 16 GLN C C 16 177.337 177.337 176.888 0.449 18227 3622 1 11 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.396 0.860 18227 3623 1 11 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.201 0.583 18227 3624 1 11 . 1 1 16 16 GLN H H 16 8.481 8.481 8.386 0.095 18227 3625 1 11 . 1 1 17 17 SER N N 17 115.051 115.051 116.106 -1.055 18227 3626 1 11 . 1 1 17 17 SER HA H 17 4.505 4.505 4.459 0.046 18227 3627 1 11 . 1 1 17 17 SER C C 17 175.596 175.596 175.897 -0.301 18227 3628 1 11 . 1 1 17 17 SER CA C 17 60.767 60.767 60.767 0.000 18227 3629 1 11 . 1 1 17 17 SER CB C 17 63.325 63.325 64.181 -0.856 18227 3630 1 11 . 1 1 17 17 SER H H 17 8.380 8.380 8.166 0.214 18227 3631 1 11 . 1 1 18 18 GLU N N 18 120.901 120.901 121.773 -0.872 18227 3632 1 11 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.115 0.344 18227 3633 1 11 . 1 1 18 18 GLU C C 18 177.867 177.867 178.822 -0.955 18227 3634 1 11 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.604 -1.381 18227 3635 1 11 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.917 -0.852 18227 3636 1 11 . 1 1 18 18 GLU H H 18 8.233 8.233 8.419 -0.186 18227 3637 1 11 . 1 1 19 19 CYS N N 19 118.899 118.899 116.891 2.008 18227 3638 1 11 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.357 0.119 18227 3639 1 11 . 1 1 19 19 CYS C C 19 175.896 175.896 176.445 -0.549 18227 3640 1 11 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.586 -0.324 18227 3641 1 11 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.886 -0.827 18227 3642 1 11 . 1 1 19 19 CYS H H 19 8.245 8.245 8.127 0.118 18227 3643 1 11 . 1 1 20 20 GLU N N 20 120.324 120.324 120.343 -0.019 18227 3644 1 11 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.327 -0.000 18227 3645 1 11 . 1 1 20 20 GLU C C 20 177.163 177.163 178.174 -1.011 18227 3646 1 11 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.880 0.492 18227 3647 1 11 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.765 -1.721 18227 3648 1 11 . 1 1 20 20 GLU H H 20 8.299 8.299 7.879 0.420 18227 3649 1 11 . 1 1 21 21 TYR N N 21 118.601 118.601 122.177 -3.576 18227 3650 1 11 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.249 0.356 18227 3651 1 11 . 1 1 21 21 TYR C C 21 177.166 177.166 177.445 -0.279 18227 3652 1 11 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.030 -1.624 18227 3653 1 11 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.435 0.043 18227 3654 1 11 . 1 1 21 21 TYR H H 21 8.165 8.165 9.184 -1.019 18227 3655 1 11 . 1 1 22 22 THR N N 22 112.362 112.362 112.372 -0.010 18227 3656 1 11 . 1 1 22 22 THR HA H 22 4.203 4.203 4.050 0.153 18227 3657 1 11 . 1 1 22 22 THR C C 22 176.226 176.226 175.044 1.182 18227 3658 1 11 . 1 1 22 22 THR CA C 22 64.825 64.825 64.504 0.321 18227 3659 1 11 . 1 1 22 22 THR CB C 22 69.471 69.471 68.512 0.959 18227 3660 1 11 . 1 1 22 22 THR H H 22 8.063 8.063 8.028 0.035 18227 3661 1 11 . 1 1 23 23 ASP N N 23 121.414 121.414 121.290 0.124 18227 3662 1 11 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.709 0.034 18227 3663 1 11 . 1 1 23 23 ASP C C 23 176.664 176.664 177.338 -0.674 18227 3664 1 11 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.684 -0.526 18227 3665 1 11 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.399 -3.924 18227 3666 1 11 . 1 1 23 23 ASP H H 23 8.355 8.355 8.112 0.243 18227 3667 1 11 . 1 1 24 24 TRP N N 24 121.858 121.858 122.802 -0.944 18227 3668 1 11 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.015 0.625 18227 3669 1 11 . 1 1 24 24 TRP C C 24 178.311 178.311 177.611 0.700 18227 3670 1 11 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.511 -1.867 18227 3671 1 11 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.417 -0.674 18227 3672 1 11 . 1 1 24 24 TRP H H 24 8.363 8.363 8.655 -0.292 18227 3673 1 11 . 1 1 25 25 LYS N N 25 120.099 120.099 116.458 3.641 18227 3674 1 11 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.914 1.162 18227 3675 1 11 . 1 1 25 25 LYS C C 25 177.946 177.946 178.277 -0.331 18227 3676 1 11 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.312 -0.178 18227 3677 1 11 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.669 0.601 18227 3678 1 11 . 1 1 25 25 LYS H H 25 8.291 8.291 7.276 1.015 18227 3679 1 11 . 1 1 26 26 SER N N 26 113.558 113.558 113.325 0.233 18227 3680 1 11 . 1 1 26 26 SER HA H 26 4.541 4.541 4.331 0.210 18227 3681 1 11 . 1 1 26 26 SER C C 26 175.212 175.212 175.928 -0.716 18227 3682 1 11 . 1 1 26 26 SER CA C 26 59.813 59.813 60.279 -0.466 18227 3683 1 11 . 1 1 26 26 SER CB C 26 63.672 63.672 63.875 -0.203 18227 3684 1 11 . 1 1 26 26 SER H H 26 8.088 8.088 7.935 0.153 18227 3685 1 11 . 1 1 27 27 SER N N 27 116.456 116.456 116.788 -0.332 18227 3686 1 11 . 1 1 27 27 SER HA H 27 4.534 4.534 4.420 0.114 18227 3687 1 11 . 1 1 27 27 SER C C 27 175.216 175.216 175.059 0.157 18227 3688 1 11 . 1 1 27 27 SER CA C 27 60.042 60.042 59.303 0.739 18227 3689 1 11 . 1 1 27 27 SER CB C 27 63.782 63.782 63.081 0.701 18227 3690 1 11 . 1 1 27 27 SER H H 27 8.025 8.025 8.380 -0.355 18227 3691 1 11 . 1 1 28 28 GLY N N 28 108.769 108.769 107.399 1.370 18227 3692 1 11 . 1 1 28 28 GLY C C 28 174.198 174.198 172.812 1.386 18227 3693 1 11 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.438 1.437 18227 3694 1 11 . 1 1 28 28 GLY H H 28 8.051 8.051 7.696 0.355 18227 3695 1 11 . 1 1 29 29 ALA N N 29 121.719 121.719 121.861 -0.142 18227 3696 1 11 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.441 -0.030 18227 3697 1 11 . 1 1 29 29 ALA C C 29 177.554 177.554 176.680 0.874 18227 3698 1 11 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.306 -0.221 18227 3699 1 11 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.553 -0.779 18227 3700 1 11 . 1 1 29 29 ALA H H 29 7.749 7.749 7.712 0.037 18227 3701 1 11 . 1 1 30 30 LEU N N 30 118.220 118.220 113.861 4.359 18227 3702 1 11 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.536 0.010 18227 3703 1 11 . 1 1 30 30 LEU C C 30 176.978 176.978 177.662 -0.684 18227 3704 1 11 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.036 -0.369 18227 3705 1 11 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.230 0.526 18227 3706 1 11 . 1 1 30 30 LEU H H 30 7.660 7.660 7.578 0.082 18227 3707 1 11 . 1 1 31 31 ILE N N 31 118.934 118.934 119.954 -1.020 18227 3708 1 11 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.160 0.225 18227 3709 1 11 . 1 1 31 31 ILE C C 31 175.025 175.025 174.888 0.137 18227 3710 1 11 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.755 -3.079 18227 3711 1 11 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.405 2.166 18227 3712 1 11 . 1 1 31 31 ILE H H 31 7.446 7.446 8.263 -0.817 18227 3713 1 11 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.300 0.179 18227 3714 1 11 . 1 1 32 32 PRO C C 32 177.601 177.601 178.310 -0.709 18227 3715 1 11 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.760 -0.440 18227 3716 1 11 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.796 0.440 18227 3717 1 11 . 1 1 33 33 ALA N N 33 118.822 118.822 121.465 -2.643 18227 3718 1 11 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.116 0.251 18227 3719 1 11 . 1 1 33 33 ALA C C 33 179.269 179.269 179.965 -0.696 18227 3720 1 11 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.998 -0.181 18227 3721 1 11 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.333 -0.441 18227 3722 1 11 . 1 1 33 33 ALA H H 33 7.293 7.293 8.130 -0.837 18227 3723 1 11 . 1 1 34 34 ILE N N 34 116.953 116.953 119.651 -2.698 18227 3724 1 11 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.574 0.516 18227 3725 1 11 . 1 1 34 34 ILE C C 34 177.061 177.061 177.925 -0.864 18227 3726 1 11 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.439 -1.454 18227 3727 1 11 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.930 0.189 18227 3728 1 11 . 1 1 34 34 ILE H H 34 7.766 7.766 7.853 -0.087 18227 3729 1 11 . 1 1 35 35 TYR N N 35 118.432 118.432 119.276 -0.844 18227 3730 1 11 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.973 0.395 18227 3731 1 11 . 1 1 35 35 TYR C C 35 178.052 178.052 178.215 -0.163 18227 3732 1 11 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.391 -1.269 18227 3733 1 11 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.160 -0.224 18227 3734 1 11 . 1 1 35 35 TYR H H 35 7.988 7.988 7.806 0.182 18227 3735 1 11 . 1 1 36 36 MET N N 36 117.042 117.042 117.482 -0.440 18227 3736 1 11 . 1 1 36 36 MET HA H 36 4.534 4.534 4.178 0.356 18227 3737 1 11 . 1 1 36 36 MET C C 36 177.734 177.734 178.381 -0.647 18227 3738 1 11 . 1 1 36 36 MET CA C 36 58.272 58.272 57.761 0.510 18227 3739 1 11 . 1 1 36 36 MET CB C 36 31.979 31.979 32.020 -0.041 18227 3740 1 11 . 1 1 36 36 MET H H 36 7.934 7.934 8.358 -0.424 18227 3741 1 11 . 1 1 37 37 LEU N N 37 120.539 120.539 120.443 0.096 18227 3742 1 11 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.020 0.323 18227 3743 1 11 . 1 1 37 37 LEU C C 37 178.746 178.746 178.690 0.056 18227 3744 1 11 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.470 0.242 18227 3745 1 11 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.054 -0.016 18227 3746 1 11 . 1 1 37 37 LEU H H 37 8.013 8.013 8.206 -0.193 18227 3747 1 11 . 1 1 38 38 VAL N N 38 117.729 117.729 115.784 1.945 18227 3748 1 11 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.720 0.057 18227 3749 1 11 . 1 1 38 38 VAL C C 38 179.009 179.009 176.777 2.232 18227 3750 1 11 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.252 1.946 18227 3751 1 11 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.924 -0.259 18227 3752 1 11 . 1 1 38 38 VAL H H 38 8.360 8.360 8.509 -0.149 18227 3753 1 11 . 1 1 39 39 PHE N N 39 120.549 120.549 121.602 -1.053 18227 3754 1 11 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.396 0.029 18227 3755 1 11 . 1 1 39 39 PHE C C 39 179.129 179.129 176.957 2.172 18227 3756 1 11 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.095 0.427 18227 3757 1 11 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.644 -1.541 18227 3758 1 11 . 1 1 39 39 PHE H H 39 8.225 8.225 7.859 0.366 18227 3759 1 11 . 1 1 40 40 LEU N N 40 122.778 122.778 113.979 8.799 18227 3760 1 11 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.399 -0.232 18227 3761 1 11 . 1 1 40 40 LEU C C 40 180.673 180.673 176.748 3.925 18227 3762 1 11 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.160 1.478 18227 3763 1 11 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.646 0.518 18227 3764 1 11 . 1 1 40 40 LEU H H 40 8.874 8.874 8.314 0.560 18227 3765 1 11 . 1 1 41 41 LEU N N 41 122.144 122.144 115.944 6.200 18227 3766 1 11 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.468 -0.232 18227 3767 1 11 . 1 1 41 41 LEU C C 41 180.709 180.709 177.008 3.701 18227 3768 1 11 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.320 4.150 18227 3769 1 11 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.886 -1.108 18227 3770 1 11 . 1 1 41 41 LEU H H 41 9.193 9.193 7.387 1.806 18227 3771 1 11 . 1 1 42 42 GLY N N 42 107.124 107.124 104.430 2.694 18227 3772 1 11 . 1 1 42 42 GLY C C 42 176.537 176.537 174.299 2.238 18227 3773 1 11 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.500 1.233 18227 3774 1 11 . 1 1 42 42 GLY H H 42 8.755 8.755 7.557 1.198 18227 3775 1 11 . 1 1 43 43 THR N N 43 113.411 113.411 113.451 -0.040 18227 3776 1 11 . 1 1 43 43 THR HA H 43 4.299 4.299 4.242 0.057 18227 3777 1 11 . 1 1 43 43 THR C C 43 176.797 176.797 174.198 2.599 18227 3778 1 11 . 1 1 43 43 THR CA C 43 64.990 64.990 61.422 3.568 18227 3779 1 11 . 1 1 43 43 THR CB C 43 69.731 69.731 69.030 0.701 18227 3780 1 11 . 1 1 43 43 THR H H 43 8.179 8.179 7.996 0.183 18227 3781 1 11 . 1 1 44 44 THR N N 44 114.667 114.667 116.081 -1.414 18227 3782 1 11 . 1 1 44 44 THR HA H 44 4.366 4.366 4.431 -0.065 18227 3783 1 11 . 1 1 44 44 THR C C 44 176.375 176.375 175.099 1.276 18227 3784 1 11 . 1 1 44 44 THR CA C 44 64.833 64.833 63.580 1.253 18227 3785 1 11 . 1 1 44 44 THR CB C 44 69.988 69.988 69.800 0.188 18227 3786 1 11 . 1 1 44 44 THR H H 44 8.026 8.026 7.676 0.350 18227 3787 1 11 . 1 1 45 45 GLY N N 45 109.336 109.336 109.434 -0.098 18227 3788 1 11 . 1 1 45 45 GLY C C 45 174.924 174.924 174.658 0.266 18227 3789 1 11 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.837 1.890 18227 3790 1 11 . 1 1 45 45 GLY H H 45 8.261 8.261 8.710 -0.449 18227 3791 1 11 . 1 1 46 46 ASN N N 46 117.547 117.547 119.136 -1.589 18227 3792 1 11 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.547 0.192 18227 3793 1 11 . 1 1 46 46 ASN C C 46 176.815 176.815 176.554 0.261 18227 3794 1 11 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.818 0.532 18227 3795 1 11 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.207 0.286 18227 3796 1 11 . 1 1 46 46 ASN H H 46 8.083 8.083 7.952 0.131 18227 3797 1 11 . 1 1 47 47 GLY N N 47 106.960 106.960 108.771 -1.811 18227 3798 1 11 . 1 1 47 47 GLY C C 47 175.001 175.001 175.975 -0.974 18227 3799 1 11 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.624 0.363 18227 3800 1 11 . 1 1 47 47 GLY H H 47 8.318 8.318 8.373 -0.055 18227 3801 1 11 . 1 1 48 48 LEU N N 48 120.991 120.991 121.879 -0.888 18227 3802 1 11 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.100 0.389 18227 3803 1 11 . 1 1 48 48 LEU C C 48 180.375 180.375 178.626 1.749 18227 3804 1 11 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.671 0.577 18227 3805 1 11 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.905 0.142 18227 3806 1 11 . 1 1 48 48 LEU H H 48 7.999 7.999 7.711 0.288 18227 3807 1 11 . 1 1 49 49 VAL N N 49 121.040 121.040 118.861 2.179 18227 3808 1 11 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.708 0.125 18227 3809 1 11 . 1 1 49 49 VAL C C 49 178.016 178.016 177.939 0.077 18227 3810 1 11 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.710 0.507 18227 3811 1 11 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.563 0.377 18227 3812 1 11 . 1 1 49 49 VAL H H 49 7.989 7.989 7.362 0.627 18227 3813 1 11 . 1 1 50 50 LEU N N 50 119.986 119.986 119.457 0.529 18227 3814 1 11 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.887 0.310 18227 3815 1 11 . 1 1 50 50 LEU C C 50 178.823 178.823 179.251 -0.428 18227 3816 1 11 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.998 0.692 18227 3817 1 11 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.411 0.254 18227 3818 1 11 . 1 1 50 50 LEU H H 50 7.926 7.926 7.813 0.113 18227 3819 1 11 . 1 1 51 51 TRP N N 51 117.842 117.842 120.769 -2.927 18227 3820 1 11 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.345 0.342 18227 3821 1 11 . 1 1 51 51 TRP C C 51 178.729 178.729 178.466 0.263 18227 3822 1 11 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.133 -0.753 18227 3823 1 11 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.644 -0.103 18227 3824 1 11 . 1 1 51 51 TRP H H 51 8.525 8.525 8.170 0.355 18227 3825 1 11 . 1 1 52 52 THR N N 52 114.722 114.722 117.323 -2.601 18227 3826 1 11 . 1 1 52 52 THR HA H 52 4.007 4.007 3.678 0.329 18227 3827 1 11 . 1 1 52 52 THR C C 52 176.228 176.228 177.038 -0.810 18227 3828 1 11 . 1 1 52 52 THR CA C 52 67.517 67.517 67.215 0.302 18227 3829 1 11 . 1 1 52 52 THR CB C 52 69.051 69.051 68.776 0.275 18227 3830 1 11 . 1 1 52 52 THR H H 52 8.248 8.248 8.625 -0.377 18227 3831 1 11 . 1 1 53 53 VAL N N 53 123.008 123.008 122.378 0.630 18227 3832 1 11 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.587 0.161 18227 3833 1 11 . 1 1 53 53 VAL C C 53 178.474 178.474 177.025 1.449 18227 3834 1 11 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.924 0.531 18227 3835 1 11 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.805 0.035 18227 3836 1 11 . 1 1 53 53 VAL H H 53 8.634 8.634 8.869 -0.235 18227 3837 1 11 . 1 1 54 54 PHE N N 54 119.554 119.554 118.005 1.549 18227 3838 1 11 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.257 0.153 18227 3839 1 11 . 1 1 54 54 PHE C C 54 179.173 179.173 177.097 2.076 18227 3840 1 11 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.933 0.154 18227 3841 1 11 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.522 0.268 18227 3842 1 11 . 1 1 54 54 PHE H H 54 8.860 8.860 7.899 0.961 18227 3843 1 11 . 1 1 55 55 ARG N N 55 118.355 118.355 116.529 1.826 18227 3844 1 11 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.306 -0.186 18227 3845 1 11 . 1 1 55 55 ARG C C 55 178.719 178.719 176.008 2.711 18227 3846 1 11 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.632 2.344 18227 3847 1 11 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.789 -0.711 18227 3848 1 11 . 1 1 55 55 ARG H H 55 8.296 8.296 7.741 0.555 18227 3849 1 11 . 1 1 56 56 LYS N N 56 119.698 119.698 117.539 2.159 18227 3850 1 11 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.392 -0.099 18227 3851 1 11 . 1 1 56 56 LYS C C 56 178.742 178.742 177.124 1.618 18227 3852 1 11 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.713 1.338 18227 3853 1 11 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.210 -1.439 18227 3854 1 11 . 1 1 56 56 LYS H H 56 8.377 8.377 8.187 0.190 18227 3855 1 11 . 1 1 57 57 LYS N N 57 119.104 119.104 119.844 -0.740 18227 3856 1 11 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.209 0.136 18227 3857 1 11 . 1 1 57 57 LYS C C 57 178.311 178.311 177.616 0.695 18227 3858 1 11 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.427 0.705 18227 3859 1 11 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.534 -0.844 18227 3860 1 11 . 1 1 57 57 LYS H H 57 8.610 8.610 8.432 0.178 18227 3861 1 11 . 1 1 58 58 GLY N N 58 106.684 106.684 107.316 -0.632 18227 3862 1 11 . 1 1 58 58 GLY C C 58 174.451 174.451 175.153 -0.702 18227 3863 1 11 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.271 -0.358 18227 3864 1 11 . 1 1 58 58 GLY H H 58 8.154 8.154 7.719 0.435 18227 3865 1 11 . 1 1 59 59 HIS N N 59 116.995 116.995 120.524 -3.529 18227 3866 1 11 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.111 0.664 18227 3867 1 11 . 1 1 59 59 HIS C C 59 174.529 174.529 176.444 -1.915 18227 3868 1 11 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.783 -1.643 18227 3869 1 11 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.106 -0.479 18227 3870 1 11 . 1 1 59 59 HIS H H 59 8.106 8.106 8.463 -0.357 18227 3871 1 11 . 1 1 60 60 HIS N N 60 117.887 117.887 117.977 -0.090 18227 3872 1 11 . 1 1 60 60 HIS HA H 60 4.846 4.846 3.954 0.892 18227 3873 1 11 . 1 1 60 60 HIS C C 60 174.247 174.247 175.711 -1.464 18227 3874 1 11 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.312 -1.405 18227 3875 1 11 . 1 1 60 60 HIS CB C 60 29.050 29.050 28.421 0.629 18227 3876 1 11 . 1 1 60 60 HIS H H 60 8.425 8.425 7.993 0.432 18227 3877 1 11 . 1 1 61 61 HIS N N 61 118.329 118.329 116.796 1.533 18227 3878 1 11 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.266 0.607 18227 3879 1 11 . 1 1 61 61 HIS C C 61 174.139 174.139 174.547 -0.408 18227 3880 1 11 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.661 0.133 18227 3881 1 11 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.624 -1.354 18227 3882 1 11 . 1 1 61 61 HIS H H 61 8.573 8.573 8.109 0.464 18227 3883 1 11 . 1 1 62 62 HIS N N 62 118.968 118.968 117.878 1.090 18227 3884 1 11 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.022 0.853 18227 3885 1 11 . 1 1 62 62 HIS C C 62 173.827 173.827 175.098 -1.271 18227 3886 1 11 . 1 1 62 62 HIS CA C 62 55.768 55.768 59.749 -3.981 18227 3887 1 11 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.311 0.957 18227 3888 1 11 . 1 1 62 62 HIS H H 62 8.662 8.662 7.721 0.941 18227 3889 1 11 . 1 1 63 63 HIS N N 63 118.949 118.949 119.093 -0.144 18227 3890 1 11 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.688 0.162 18227 3891 1 11 . 1 1 63 63 HIS C C 63 173.433 173.433 175.237 -1.804 18227 3892 1 11 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.394 0.396 18227 3893 1 11 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.607 -0.145 18227 3894 1 11 . 1 1 63 63 HIS H H 63 8.518 8.518 8.461 0.057 18227 3895 1 12 . 1 1 2 2 GLU N N 2 122.322 122.322 121.040 1.282 18227 3896 1 12 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.652 0.026 18227 3897 1 12 . 1 1 2 2 GLU C C 2 175.160 175.160 175.885 -0.725 18227 3898 1 12 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.119 -0.026 18227 3899 1 12 . 1 1 2 2 GLU CB C 2 29.175 29.175 31.121 -1.946 18227 3900 1 12 . 1 1 2 2 GLU H H 2 8.641 8.641 7.959 0.682 18227 3901 1 12 . 1 1 3 3 GLU N N 3 121.391 121.391 123.994 -2.603 18227 3902 1 12 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.421 0.209 18227 3903 1 12 . 1 1 3 3 GLU C C 3 176.097 176.097 174.683 1.414 18227 3904 1 12 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.191 -0.104 18227 3905 1 12 . 1 1 3 3 GLU CB C 3 29.184 29.184 32.609 -3.425 18227 3906 1 12 . 1 1 3 3 GLU H H 3 8.448 8.448 8.371 0.077 18227 3907 1 12 . 1 1 4 4 GLY N N 4 109.002 109.002 108.312 0.690 18227 3908 1 12 . 1 1 4 4 GLY C C 4 174.407 174.407 173.326 1.081 18227 3909 1 12 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.512 0.933 18227 3910 1 12 . 1 1 4 4 GLY H H 4 8.333 8.333 8.318 0.015 18227 3911 1 12 . 1 1 5 5 GLY N N 5 107.419 107.419 109.977 -2.558 18227 3912 1 12 . 1 1 5 5 GLY C C 5 173.914 173.914 172.602 1.312 18227 3913 1 12 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.718 0.772 18227 3914 1 12 . 1 1 5 5 GLY H H 5 8.120 8.120 7.829 0.291 18227 3915 1 12 . 1 1 6 6 ASP N N 6 117.918 117.918 121.336 -3.418 18227 3916 1 12 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.342 0.564 18227 3917 1 12 . 1 1 6 6 ASP C C 6 175.114 175.114 174.998 0.116 18227 3918 1 12 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.143 -0.024 18227 3919 1 12 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.030 -3.071 18227 3920 1 12 . 1 1 6 6 ASP H H 6 8.204 8.204 7.378 0.826 18227 3921 1 12 . 1 1 7 7 PHE N N 7 119.801 119.801 119.031 0.770 18227 3922 1 12 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.898 -0.188 18227 3923 1 12 . 1 1 7 7 PHE C C 7 175.789 175.789 175.802 -0.013 18227 3924 1 12 . 1 1 7 7 PHE CA C 7 58.676 58.676 56.905 1.771 18227 3925 1 12 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.054 -0.885 18227 3926 1 12 . 1 1 7 7 PHE H H 7 8.072 8.072 6.639 1.433 18227 3927 1 12 . 1 1 8 8 ASP N N 8 117.963 117.963 121.718 -3.755 18227 3928 1 12 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.678 0.099 18227 3929 1 12 . 1 1 8 8 ASP C C 8 174.919 174.919 176.461 -1.542 18227 3930 1 12 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.667 -1.087 18227 3931 1 12 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.539 -3.816 18227 3932 1 12 . 1 1 8 8 ASP H H 8 8.184 8.184 8.852 -0.668 18227 3933 1 12 . 1 1 9 9 ASN N N 9 117.736 117.736 115.616 2.120 18227 3934 1 12 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.267 0.523 18227 3935 1 12 . 1 1 9 9 ASN C C 9 174.974 174.974 174.471 0.503 18227 3936 1 12 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.935 -1.199 18227 3937 1 12 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.540 1.030 18227 3938 1 12 . 1 1 9 9 ASN H H 9 8.080 8.080 8.454 -0.374 18227 3939 1 12 . 1 1 10 10 TYR N N 10 119.580 119.580 121.078 -1.498 18227 3940 1 12 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.272 0.354 18227 3941 1 12 . 1 1 10 10 TYR C C 10 175.935 175.935 175.596 0.339 18227 3942 1 12 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.455 -0.675 18227 3943 1 12 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.583 -0.069 18227 3944 1 12 . 1 1 10 10 TYR H H 10 7.869 7.869 8.349 -0.480 18227 3945 1 12 . 1 1 11 11 TYR N N 11 120.254 120.254 122.703 -2.449 18227 3946 1 12 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.859 0.760 18227 3947 1 12 . 1 1 11 11 TYR C C 11 176.666 176.666 174.504 2.162 18227 3948 1 12 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.256 0.600 18227 3949 1 12 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.286 1.202 18227 3950 1 12 . 1 1 11 11 TYR H H 11 7.906 7.906 8.173 -0.267 18227 3951 1 12 . 1 1 12 12 GLY N N 12 108.226 108.226 103.737 4.489 18227 3952 1 12 . 1 1 12 12 GLY C C 12 174.314 174.314 172.940 1.374 18227 3953 1 12 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.855 -0.076 18227 3954 1 12 . 1 1 12 12 GLY H H 12 7.817 7.817 7.781 0.036 18227 3955 1 12 . 1 1 13 13 ALA N N 13 122.970 122.970 121.547 1.423 18227 3956 1 12 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.570 -0.100 18227 3957 1 12 . 1 1 13 13 ALA C C 13 178.137 178.137 177.171 0.966 18227 3958 1 12 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.804 0.646 18227 3959 1 12 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.906 -1.223 18227 3960 1 12 . 1 1 13 13 ALA H H 13 7.913 7.913 7.949 -0.036 18227 3961 1 12 . 1 1 14 14 ASP N N 14 116.374 116.374 118.871 -2.497 18227 3962 1 12 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.583 0.292 18227 3963 1 12 . 1 1 14 14 ASP C C 14 175.450 175.450 178.100 -2.650 18227 3964 1 12 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.789 -2.149 18227 3965 1 12 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.220 -3.358 18227 3966 1 12 . 1 1 14 14 ASP H H 14 8.348 8.348 8.465 -0.117 18227 3967 1 12 . 1 1 15 15 ASN N N 15 118.423 118.423 117.791 0.632 18227 3968 1 12 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.335 0.535 18227 3969 1 12 . 1 1 15 15 ASN C C 15 176.054 176.054 176.301 -0.247 18227 3970 1 12 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.612 -1.184 18227 3971 1 12 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.138 0.544 18227 3972 1 12 . 1 1 15 15 ASN H H 15 8.272 8.272 8.683 -0.411 18227 3973 1 12 . 1 1 16 16 GLN N N 16 120.129 120.129 112.573 7.556 18227 3974 1 12 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.326 0.090 18227 3975 1 12 . 1 1 16 16 GLN C C 16 177.337 177.337 175.913 1.424 18227 3976 1 12 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.703 1.553 18227 3977 1 12 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.445 0.340 18227 3978 1 12 . 1 1 16 16 GLN H H 16 8.481 8.481 8.274 0.207 18227 3979 1 12 . 1 1 17 17 SER N N 17 115.051 115.051 116.396 -1.345 18227 3980 1 12 . 1 1 17 17 SER HA H 17 4.505 4.505 4.444 0.061 18227 3981 1 12 . 1 1 17 17 SER C C 17 175.596 175.596 175.893 -0.297 18227 3982 1 12 . 1 1 17 17 SER CA C 17 60.767 60.767 59.686 1.081 18227 3983 1 12 . 1 1 17 17 SER CB C 17 63.325 63.325 64.250 -0.925 18227 3984 1 12 . 1 1 17 17 SER H H 17 8.380 8.380 8.167 0.213 18227 3985 1 12 . 1 1 18 18 GLU N N 18 120.901 120.901 122.016 -1.115 18227 3986 1 12 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.866 0.593 18227 3987 1 12 . 1 1 18 18 GLU C C 18 177.867 177.867 178.076 -0.209 18227 3988 1 12 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.716 -1.493 18227 3989 1 12 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.292 -1.227 18227 3990 1 12 . 1 1 18 18 GLU H H 18 8.233 8.233 8.289 -0.056 18227 3991 1 12 . 1 1 19 19 CYS N N 19 118.899 118.899 114.749 4.150 18227 3992 1 12 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.321 0.155 18227 3993 1 12 . 1 1 19 19 CYS C C 19 175.896 175.896 176.113 -0.217 18227 3994 1 12 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.399 -0.137 18227 3995 1 12 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.142 -0.083 18227 3996 1 12 . 1 1 19 19 CYS H H 19 8.245 8.245 8.374 -0.129 18227 3997 1 12 . 1 1 20 20 GLU N N 20 120.324 120.324 118.105 2.219 18227 3998 1 12 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.592 -0.265 18227 3999 1 12 . 1 1 20 20 GLU C C 20 177.163 177.163 177.294 -0.131 18227 4000 1 12 . 1 1 20 20 GLU CA C 20 58.372 58.372 55.693 2.679 18227 4001 1 12 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.936 -0.891 18227 4002 1 12 . 1 1 20 20 GLU H H 20 8.299 8.299 8.466 -0.168 18227 4003 1 12 . 1 1 21 21 TYR N N 21 118.601 118.601 122.710 -4.109 18227 4004 1 12 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.404 0.201 18227 4005 1 12 . 1 1 21 21 TYR C C 21 177.166 177.166 177.231 -0.065 18227 4006 1 12 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.182 -1.776 18227 4007 1 12 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.775 -0.297 18227 4008 1 12 . 1 1 21 21 TYR H H 21 8.165 8.165 8.632 -0.467 18227 4009 1 12 . 1 1 22 22 THR N N 22 112.362 112.362 108.703 3.659 18227 4010 1 12 . 1 1 22 22 THR HA H 22 4.203 4.203 4.209 -0.006 18227 4011 1 12 . 1 1 22 22 THR C C 22 176.226 176.226 175.400 0.826 18227 4012 1 12 . 1 1 22 22 THR CA C 22 64.825 64.825 63.461 1.364 18227 4013 1 12 . 1 1 22 22 THR CB C 22 69.471 69.471 68.746 0.725 18227 4014 1 12 . 1 1 22 22 THR H H 22 8.063 8.063 8.358 -0.295 18227 4015 1 12 . 1 1 23 23 ASP N N 23 121.414 121.414 120.899 0.515 18227 4016 1 12 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.790 -0.047 18227 4017 1 12 . 1 1 23 23 ASP C C 23 176.664 176.664 177.539 -0.875 18227 4018 1 12 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.338 -1.179 18227 4019 1 12 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.206 -4.731 18227 4020 1 12 . 1 1 23 23 ASP H H 23 8.355 8.355 7.631 0.724 18227 4021 1 12 . 1 1 24 24 TRP N N 24 121.858 121.858 122.608 -0.750 18227 4022 1 12 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.037 0.603 18227 4023 1 12 . 1 1 24 24 TRP C C 24 178.311 178.311 177.526 0.785 18227 4024 1 12 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.942 -1.298 18227 4025 1 12 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.331 -0.588 18227 4026 1 12 . 1 1 24 24 TRP H H 24 8.363 8.363 8.835 -0.472 18227 4027 1 12 . 1 1 25 25 LYS N N 25 120.099 120.099 117.584 2.515 18227 4028 1 12 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.383 1.693 18227 4029 1 12 . 1 1 25 25 LYS C C 25 177.946 177.946 177.886 0.060 18227 4030 1 12 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.162 -0.028 18227 4031 1 12 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.723 0.547 18227 4032 1 12 . 1 1 25 25 LYS H H 25 8.291 8.291 7.353 0.938 18227 4033 1 12 . 1 1 26 26 SER N N 26 113.558 113.558 111.108 2.450 18227 4034 1 12 . 1 1 26 26 SER HA H 26 4.541 4.541 4.384 0.157 18227 4035 1 12 . 1 1 26 26 SER C C 26 175.212 175.212 174.990 0.222 18227 4036 1 12 . 1 1 26 26 SER CA C 26 59.813 59.813 59.357 0.456 18227 4037 1 12 . 1 1 26 26 SER CB C 26 63.672 63.672 64.160 -0.488 18227 4038 1 12 . 1 1 26 26 SER H H 26 8.088 8.088 8.160 -0.072 18227 4039 1 12 . 1 1 27 27 SER N N 27 116.456 116.456 116.684 -0.228 18227 4040 1 12 . 1 1 27 27 SER HA H 27 4.534 4.534 4.634 -0.100 18227 4041 1 12 . 1 1 27 27 SER C C 27 175.216 175.216 175.108 0.108 18227 4042 1 12 . 1 1 27 27 SER CA C 27 60.042 60.042 58.216 1.826 18227 4043 1 12 . 1 1 27 27 SER CB C 27 63.782 63.782 63.166 0.616 18227 4044 1 12 . 1 1 27 27 SER H H 27 8.025 8.025 8.414 -0.389 18227 4045 1 12 . 1 1 28 28 GLY N N 28 108.769 108.769 109.023 -0.254 18227 4046 1 12 . 1 1 28 28 GLY C C 28 174.198 174.198 173.889 0.309 18227 4047 1 12 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.841 1.034 18227 4048 1 12 . 1 1 28 28 GLY H H 28 8.051 8.051 7.772 0.279 18227 4049 1 12 . 1 1 29 29 ALA N N 29 121.719 121.719 122.702 -0.983 18227 4050 1 12 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.438 -0.027 18227 4051 1 12 . 1 1 29 29 ALA C C 29 177.554 177.554 176.625 0.929 18227 4052 1 12 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.197 0.888 18227 4053 1 12 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.852 0.922 18227 4054 1 12 . 1 1 29 29 ALA H H 29 7.749 7.749 8.004 -0.255 18227 4055 1 12 . 1 1 30 30 LEU N N 30 118.220 118.220 110.769 7.451 18227 4056 1 12 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.490 0.056 18227 4057 1 12 . 1 1 30 30 LEU C C 30 176.978 176.978 177.351 -0.373 18227 4058 1 12 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.976 -0.309 18227 4059 1 12 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.188 0.568 18227 4060 1 12 . 1 1 30 30 LEU H H 30 7.660 7.660 7.476 0.184 18227 4061 1 12 . 1 1 31 31 ILE N N 31 118.934 118.934 121.843 -2.909 18227 4062 1 12 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.233 0.152 18227 4063 1 12 . 1 1 31 31 ILE C C 31 175.025 175.025 174.871 0.154 18227 4064 1 12 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.211 -2.535 18227 4065 1 12 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.344 2.227 18227 4066 1 12 . 1 1 31 31 ILE H H 31 7.446 7.446 7.890 -0.444 18227 4067 1 12 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.316 0.163 18227 4068 1 12 . 1 1 32 32 PRO C C 32 177.601 177.601 177.781 -0.180 18227 4069 1 12 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.624 -0.304 18227 4070 1 12 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.624 0.611 18227 4071 1 12 . 1 1 33 33 ALA N N 33 118.822 118.822 121.679 -2.857 18227 4072 1 12 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.114 0.253 18227 4073 1 12 . 1 1 33 33 ALA C C 33 179.269 179.269 179.457 -0.188 18227 4074 1 12 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.061 -0.244 18227 4075 1 12 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.301 -0.409 18227 4076 1 12 . 1 1 33 33 ALA H H 33 7.293 7.293 7.451 -0.158 18227 4077 1 12 . 1 1 34 34 ILE N N 34 116.953 116.953 119.448 -2.495 18227 4078 1 12 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.751 0.339 18227 4079 1 12 . 1 1 34 34 ILE C C 34 177.061 177.061 178.074 -1.013 18227 4080 1 12 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.779 0.206 18227 4081 1 12 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.524 0.595 18227 4082 1 12 . 1 1 34 34 ILE H H 34 7.766 7.766 8.003 -0.237 18227 4083 1 12 . 1 1 35 35 TYR N N 35 118.432 118.432 119.302 -0.870 18227 4084 1 12 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.006 0.362 18227 4085 1 12 . 1 1 35 35 TYR C C 35 178.052 178.052 178.198 -0.146 18227 4086 1 12 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.434 -1.312 18227 4087 1 12 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.357 -0.421 18227 4088 1 12 . 1 1 35 35 TYR H H 35 7.988 7.988 8.008 -0.020 18227 4089 1 12 . 1 1 36 36 MET N N 36 117.042 117.042 117.554 -0.512 18227 4090 1 12 . 1 1 36 36 MET HA H 36 4.534 4.534 4.246 0.288 18227 4091 1 12 . 1 1 36 36 MET C C 36 177.734 177.734 178.710 -0.976 18227 4092 1 12 . 1 1 36 36 MET CA C 36 58.272 58.272 57.927 0.345 18227 4093 1 12 . 1 1 36 36 MET CB C 36 31.979 31.979 32.115 -0.136 18227 4094 1 12 . 1 1 36 36 MET H H 36 7.934 7.934 7.995 -0.061 18227 4095 1 12 . 1 1 37 37 LEU N N 37 120.539 120.539 119.448 1.091 18227 4096 1 12 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.134 0.209 18227 4097 1 12 . 1 1 37 37 LEU C C 37 178.746 178.746 178.255 0.491 18227 4098 1 12 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.921 0.791 18227 4099 1 12 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.049 -0.011 18227 4100 1 12 . 1 1 37 37 LEU H H 37 8.013 8.013 7.877 0.136 18227 4101 1 12 . 1 1 38 38 VAL N N 38 117.729 117.729 116.942 0.787 18227 4102 1 12 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.017 -0.240 18227 4103 1 12 . 1 1 38 38 VAL C C 38 179.009 179.009 176.264 2.745 18227 4104 1 12 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.763 3.436 18227 4105 1 12 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.896 -1.231 18227 4106 1 12 . 1 1 38 38 VAL H H 38 8.360 8.360 7.646 0.714 18227 4107 1 12 . 1 1 39 39 PHE N N 39 120.549 120.549 122.082 -1.533 18227 4108 1 12 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.407 0.018 18227 4109 1 12 . 1 1 39 39 PHE C C 39 179.129 179.129 176.320 2.809 18227 4110 1 12 . 1 1 39 39 PHE CA C 39 61.522 61.522 60.587 0.935 18227 4111 1 12 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.010 -1.907 18227 4112 1 12 . 1 1 39 39 PHE H H 39 8.225 8.225 8.077 0.148 18227 4113 1 12 . 1 1 40 40 LEU N N 40 122.778 122.778 118.445 4.333 18227 4114 1 12 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.208 -0.041 18227 4115 1 12 . 1 1 40 40 LEU C C 40 180.673 180.673 177.798 2.875 18227 4116 1 12 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.459 1.179 18227 4117 1 12 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.322 0.842 18227 4118 1 12 . 1 1 40 40 LEU H H 40 8.874 8.874 8.488 0.386 18227 4119 1 12 . 1 1 41 41 LEU N N 41 122.144 122.144 118.477 3.667 18227 4120 1 12 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.171 0.065 18227 4121 1 12 . 1 1 41 41 LEU C C 41 180.709 180.709 178.258 2.451 18227 4122 1 12 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.816 1.654 18227 4123 1 12 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.116 -0.338 18227 4124 1 12 . 1 1 41 41 LEU H H 41 9.193 9.193 7.727 1.466 18227 4125 1 12 . 1 1 42 42 GLY N N 42 107.124 107.124 105.355 1.769 18227 4126 1 12 . 1 1 42 42 GLY C C 42 176.537 176.537 175.842 0.695 18227 4127 1 12 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.569 0.164 18227 4128 1 12 . 1 1 42 42 GLY H H 42 8.755 8.755 7.412 1.343 18227 4129 1 12 . 1 1 43 43 THR N N 43 113.411 113.411 117.374 -3.963 18227 4130 1 12 . 1 1 43 43 THR HA H 43 4.299 4.299 3.765 0.534 18227 4131 1 12 . 1 1 43 43 THR C C 43 176.797 176.797 176.146 0.651 18227 4132 1 12 . 1 1 43 43 THR CA C 43 64.990 64.990 66.652 -1.662 18227 4133 1 12 . 1 1 43 43 THR CB C 43 69.731 69.731 67.919 1.812 18227 4134 1 12 . 1 1 43 43 THR H H 43 8.179 8.179 8.043 0.136 18227 4135 1 12 . 1 1 44 44 THR N N 44 114.667 114.667 112.623 2.044 18227 4136 1 12 . 1 1 44 44 THR HA H 44 4.366 4.366 4.734 -0.368 18227 4137 1 12 . 1 1 44 44 THR C C 44 176.375 176.375 175.065 1.310 18227 4138 1 12 . 1 1 44 44 THR CA C 44 64.833 64.833 63.129 1.704 18227 4139 1 12 . 1 1 44 44 THR CB C 44 69.988 69.988 69.684 0.304 18227 4140 1 12 . 1 1 44 44 THR H H 44 8.026 8.026 7.839 0.187 18227 4141 1 12 . 1 1 45 45 GLY N N 45 109.336 109.336 107.195 2.141 18227 4142 1 12 . 1 1 45 45 GLY C C 45 174.924 174.924 173.472 1.452 18227 4143 1 12 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.037 1.690 18227 4144 1 12 . 1 1 45 45 GLY H H 45 8.261 8.261 8.064 0.197 18227 4145 1 12 . 1 1 46 46 ASN N N 46 117.547 117.547 117.928 -0.381 18227 4146 1 12 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.917 -0.178 18227 4147 1 12 . 1 1 46 46 ASN C C 46 176.815 176.815 176.761 0.054 18227 4148 1 12 . 1 1 46 46 ASN CA C 46 55.350 55.350 53.889 1.460 18227 4149 1 12 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.226 -0.733 18227 4150 1 12 . 1 1 46 46 ASN H H 46 8.083 8.083 8.344 -0.261 18227 4151 1 12 . 1 1 47 47 GLY N N 47 106.960 106.960 109.459 -2.499 18227 4152 1 12 . 1 1 47 47 GLY C C 47 175.001 175.001 175.932 -0.931 18227 4153 1 12 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.248 -0.261 18227 4154 1 12 . 1 1 47 47 GLY H H 47 8.318 8.318 7.772 0.546 18227 4155 1 12 . 1 1 48 48 LEU N N 48 120.991 120.991 121.932 -0.941 18227 4156 1 12 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.068 0.421 18227 4157 1 12 . 1 1 48 48 LEU C C 48 180.375 180.375 178.615 1.760 18227 4158 1 12 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.480 0.768 18227 4159 1 12 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.683 0.364 18227 4160 1 12 . 1 1 48 48 LEU H H 48 7.999 7.999 7.871 0.128 18227 4161 1 12 . 1 1 49 49 VAL N N 49 121.040 121.040 118.482 2.558 18227 4162 1 12 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.666 0.167 18227 4163 1 12 . 1 1 49 49 VAL C C 49 178.016 178.016 177.951 0.065 18227 4164 1 12 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.775 0.442 18227 4165 1 12 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.887 0.053 18227 4166 1 12 . 1 1 49 49 VAL H H 49 7.989 7.989 7.592 0.397 18227 4167 1 12 . 1 1 50 50 LEU N N 50 119.986 119.986 119.401 0.585 18227 4168 1 12 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.032 0.165 18227 4169 1 12 . 1 1 50 50 LEU C C 50 178.823 178.823 179.236 -0.413 18227 4170 1 12 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.009 0.681 18227 4171 1 12 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.642 0.022 18227 4172 1 12 . 1 1 50 50 LEU H H 50 7.926 7.926 7.945 -0.019 18227 4173 1 12 . 1 1 51 51 TRP N N 51 117.842 117.842 121.206 -3.364 18227 4174 1 12 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.295 0.392 18227 4175 1 12 . 1 1 51 51 TRP C C 51 178.729 178.729 177.813 0.916 18227 4176 1 12 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.692 -1.312 18227 4177 1 12 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.601 -0.060 18227 4178 1 12 . 1 1 51 51 TRP H H 51 8.525 8.525 8.282 0.243 18227 4179 1 12 . 1 1 52 52 THR N N 52 114.722 114.722 117.775 -3.053 18227 4180 1 12 . 1 1 52 52 THR HA H 52 4.007 4.007 3.581 0.426 18227 4181 1 12 . 1 1 52 52 THR C C 52 176.228 176.228 176.707 -0.479 18227 4182 1 12 . 1 1 52 52 THR CA C 52 67.517 67.517 67.739 -0.222 18227 4183 1 12 . 1 1 52 52 THR CB C 52 69.051 69.051 69.014 0.037 18227 4184 1 12 . 1 1 52 52 THR H H 52 8.248 8.248 8.559 -0.311 18227 4185 1 12 . 1 1 53 53 VAL N N 53 123.008 123.008 121.201 1.807 18227 4186 1 12 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.557 0.191 18227 4187 1 12 . 1 1 53 53 VAL C C 53 178.474 178.474 177.670 0.804 18227 4188 1 12 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.370 0.085 18227 4189 1 12 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.263 0.577 18227 4190 1 12 . 1 1 53 53 VAL H H 53 8.634 8.634 8.593 0.041 18227 4191 1 12 . 1 1 54 54 PHE N N 54 119.554 119.554 118.858 0.696 18227 4192 1 12 . 1 1 54 54 PHE HA H 54 4.410 4.410 3.976 0.434 18227 4193 1 12 . 1 1 54 54 PHE C C 54 179.173 179.173 177.736 1.437 18227 4194 1 12 . 1 1 54 54 PHE CA C 54 61.087 61.087 62.412 -1.325 18227 4195 1 12 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.478 0.312 18227 4196 1 12 . 1 1 54 54 PHE H H 54 8.860 8.860 7.833 1.027 18227 4197 1 12 . 1 1 55 55 ARG N N 55 118.355 118.355 117.402 0.953 18227 4198 1 12 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.825 0.295 18227 4199 1 12 . 1 1 55 55 ARG C C 55 178.719 178.719 178.537 0.182 18227 4200 1 12 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.681 0.295 18227 4201 1 12 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.799 0.279 18227 4202 1 12 . 1 1 55 55 ARG H H 55 8.296 8.296 7.584 0.712 18227 4203 1 12 . 1 1 56 56 LYS N N 56 119.698 119.698 121.083 -1.385 18227 4204 1 12 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.117 0.176 18227 4205 1 12 . 1 1 56 56 LYS C C 56 178.742 178.742 178.532 0.210 18227 4206 1 12 . 1 1 56 56 LYS CA C 56 59.051 59.051 59.353 -0.302 18227 4207 1 12 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.336 0.435 18227 4208 1 12 . 1 1 56 56 LYS H H 56 8.377 8.377 8.300 0.077 18227 4209 1 12 . 1 1 57 57 LYS N N 57 119.104 119.104 115.575 3.529 18227 4210 1 12 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.154 0.191 18227 4211 1 12 . 1 1 57 57 LYS C C 57 178.311 178.311 177.740 0.571 18227 4212 1 12 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.105 0.027 18227 4213 1 12 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.765 -0.075 18227 4214 1 12 . 1 1 57 57 LYS H H 57 8.610 8.610 8.183 0.427 18227 4215 1 12 . 1 1 58 58 GLY N N 58 106.684 106.684 106.323 0.361 18227 4216 1 12 . 1 1 58 58 GLY C C 58 174.451 174.451 176.340 -1.889 18227 4217 1 12 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.219 -0.306 18227 4218 1 12 . 1 1 58 58 GLY H H 58 8.154 8.154 7.628 0.526 18227 4219 1 12 . 1 1 59 59 HIS N N 59 116.995 116.995 119.186 -2.191 18227 4220 1 12 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.408 0.367 18227 4221 1 12 . 1 1 59 59 HIS C C 59 174.529 174.529 175.208 -0.679 18227 4222 1 12 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.968 -1.828 18227 4223 1 12 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.761 -1.134 18227 4224 1 12 . 1 1 59 59 HIS H H 59 8.106 8.106 7.835 0.271 18227 4225 1 12 . 1 1 60 60 HIS N N 60 117.887 117.887 116.357 1.530 18227 4226 1 12 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.710 0.136 18227 4227 1 12 . 1 1 60 60 HIS C C 60 174.247 174.247 173.953 0.294 18227 4228 1 12 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.843 1.064 18227 4229 1 12 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.479 -1.429 18227 4230 1 12 . 1 1 60 60 HIS H H 60 8.425 8.425 7.467 0.958 18227 4231 1 12 . 1 1 61 61 HIS N N 61 118.329 118.329 120.106 -1.777 18227 4232 1 12 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.249 0.624 18227 4233 1 12 . 1 1 61 61 HIS C C 61 174.139 174.139 175.137 -0.998 18227 4234 1 12 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.901 -1.107 18227 4235 1 12 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.692 -1.422 18227 4236 1 12 . 1 1 61 61 HIS H H 61 8.573 8.573 7.632 0.941 18227 4237 1 12 . 1 1 62 62 HIS N N 62 118.968 118.968 117.815 1.153 18227 4238 1 12 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.438 0.437 18227 4239 1 12 . 1 1 62 62 HIS C C 62 173.827 173.827 175.358 -1.531 18227 4240 1 12 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.381 -1.613 18227 4241 1 12 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.930 -0.662 18227 4242 1 12 . 1 1 62 62 HIS H H 62 8.662 8.662 7.445 1.217 18227 4243 1 12 . 1 1 63 63 HIS N N 63 118.949 118.949 118.196 0.753 18227 4244 1 12 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.221 0.629 18227 4245 1 12 . 1 1 63 63 HIS C C 63 173.433 173.433 173.860 -0.427 18227 4246 1 12 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.866 0.923 18227 4247 1 12 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.352 1.110 18227 4248 1 12 . 1 1 63 63 HIS H H 63 8.518 8.518 8.574 -0.056 18227 4249 1 13 . 1 1 2 2 GLU N N 2 122.322 122.322 122.693 -0.371 18227 4250 1 13 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.216 0.462 18227 4251 1 13 . 1 1 2 2 GLU C C 2 175.160 175.160 176.120 -0.960 18227 4252 1 13 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.548 -0.455 18227 4253 1 13 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.181 -1.006 18227 4254 1 13 . 1 1 2 2 GLU H H 2 8.641 8.641 8.291 0.350 18227 4255 1 13 . 1 1 3 3 GLU N N 3 121.391 121.391 119.614 1.777 18227 4256 1 13 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.156 0.474 18227 4257 1 13 . 1 1 3 3 GLU C C 3 176.097 176.097 175.363 0.734 18227 4258 1 13 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.189 -0.102 18227 4259 1 13 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.222 -0.038 18227 4260 1 13 . 1 1 3 3 GLU H H 3 8.448 8.448 8.714 -0.266 18227 4261 1 13 . 1 1 4 4 GLY N N 4 109.002 109.002 109.780 -0.778 18227 4262 1 13 . 1 1 4 4 GLY C C 4 174.407 174.407 173.836 0.571 18227 4263 1 13 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.437 0.008 18227 4264 1 13 . 1 1 4 4 GLY H H 4 8.333 8.333 8.336 -0.003 18227 4265 1 13 . 1 1 5 5 GLY N N 5 107.419 107.419 109.747 -2.328 18227 4266 1 13 . 1 1 5 5 GLY C C 5 173.914 173.914 172.866 1.048 18227 4267 1 13 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.858 0.632 18227 4268 1 13 . 1 1 5 5 GLY H H 5 8.120 8.120 7.746 0.374 18227 4269 1 13 . 1 1 6 6 ASP N N 6 117.918 117.918 118.947 -1.029 18227 4270 1 13 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.453 0.453 18227 4271 1 13 . 1 1 6 6 ASP C C 6 175.114 175.114 175.508 -0.394 18227 4272 1 13 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.318 -1.199 18227 4273 1 13 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.135 -2.175 18227 4274 1 13 . 1 1 6 6 ASP H H 6 8.204 8.204 8.327 -0.123 18227 4275 1 13 . 1 1 7 7 PHE N N 7 119.801 119.801 119.764 0.037 18227 4276 1 13 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.419 0.291 18227 4277 1 13 . 1 1 7 7 PHE C C 7 175.789 175.789 174.506 1.283 18227 4278 1 13 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.545 1.131 18227 4279 1 13 . 1 1 7 7 PHE CB C 7 39.169 39.169 37.939 1.230 18227 4280 1 13 . 1 1 7 7 PHE H H 7 8.072 8.072 8.496 -0.424 18227 4281 1 13 . 1 1 8 8 ASP N N 8 117.963 117.963 119.324 -1.361 18227 4282 1 13 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.980 -0.203 18227 4283 1 13 . 1 1 8 8 ASP C C 8 174.919 174.919 176.474 -1.555 18227 4284 1 13 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.241 -0.661 18227 4285 1 13 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.798 -4.075 18227 4286 1 13 . 1 1 8 8 ASP H H 8 8.184 8.184 8.012 0.172 18227 4287 1 13 . 1 1 9 9 ASN N N 9 117.736 117.736 120.619 -2.883 18227 4288 1 13 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.457 0.333 18227 4289 1 13 . 1 1 9 9 ASN C C 9 174.974 174.974 176.715 -1.741 18227 4290 1 13 . 1 1 9 9 ASN CA C 9 53.736 53.736 56.473 -2.737 18227 4291 1 13 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.578 -0.008 18227 4292 1 13 . 1 1 9 9 ASN H H 9 8.080 8.080 7.823 0.257 18227 4293 1 13 . 1 1 10 10 TYR N N 10 119.580 119.580 118.710 0.870 18227 4294 1 13 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.494 0.132 18227 4295 1 13 . 1 1 10 10 TYR C C 10 175.935 175.935 175.186 0.749 18227 4296 1 13 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.215 0.564 18227 4297 1 13 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.836 1.678 18227 4298 1 13 . 1 1 10 10 TYR H H 10 7.869 7.869 8.498 -0.629 18227 4299 1 13 . 1 1 11 11 TYR N N 11 120.254 120.254 118.972 1.282 18227 4300 1 13 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.669 -0.050 18227 4301 1 13 . 1 1 11 11 TYR C C 11 176.666 176.666 175.032 1.634 18227 4302 1 13 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.293 0.563 18227 4303 1 13 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.252 -0.764 18227 4304 1 13 . 1 1 11 11 TYR H H 11 7.906 7.906 8.014 -0.108 18227 4305 1 13 . 1 1 12 12 GLY N N 12 108.226 108.226 106.144 2.082 18227 4306 1 13 . 1 1 12 12 GLY C C 12 174.314 174.314 173.197 1.117 18227 4307 1 13 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.529 0.251 18227 4308 1 13 . 1 1 12 12 GLY H H 12 7.817 7.817 7.804 0.013 18227 4309 1 13 . 1 1 13 13 ALA N N 13 122.970 122.970 122.678 0.292 18227 4310 1 13 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.479 -0.009 18227 4311 1 13 . 1 1 13 13 ALA C C 13 178.137 178.137 178.154 -0.017 18227 4312 1 13 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.656 0.794 18227 4313 1 13 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.811 -1.128 18227 4314 1 13 . 1 1 13 13 ALA H H 13 7.913 7.913 7.861 0.052 18227 4315 1 13 . 1 1 14 14 ASP N N 14 116.374 116.374 119.734 -3.360 18227 4316 1 13 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.424 0.451 18227 4317 1 13 . 1 1 14 14 ASP C C 14 175.450 175.450 177.527 -2.077 18227 4318 1 13 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.299 -2.659 18227 4319 1 13 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.971 -3.109 18227 4320 1 13 . 1 1 14 14 ASP H H 14 8.348 8.348 8.606 -0.258 18227 4321 1 13 . 1 1 15 15 ASN N N 15 118.423 118.423 116.648 1.775 18227 4322 1 13 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.600 0.270 18227 4323 1 13 . 1 1 15 15 ASN C C 15 176.054 176.054 176.414 -0.360 18227 4324 1 13 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.783 -1.355 18227 4325 1 13 . 1 1 15 15 ASN CB C 15 38.682 38.682 37.715 0.967 18227 4326 1 13 . 1 1 15 15 ASN H H 15 8.272 8.272 8.618 -0.346 18227 4327 1 13 . 1 1 16 16 GLN N N 16 120.129 120.129 116.862 3.267 18227 4328 1 13 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.272 0.144 18227 4329 1 13 . 1 1 16 16 GLN C C 16 177.337 177.337 177.404 -0.067 18227 4330 1 13 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.945 -0.689 18227 4331 1 13 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.907 -0.123 18227 4332 1 13 . 1 1 16 16 GLN H H 16 8.481 8.481 8.102 0.379 18227 4333 1 13 . 1 1 17 17 SER N N 17 115.051 115.051 117.643 -2.592 18227 4334 1 13 . 1 1 17 17 SER HA H 17 4.505 4.505 4.332 0.173 18227 4335 1 13 . 1 1 17 17 SER C C 17 175.596 175.596 176.487 -0.891 18227 4336 1 13 . 1 1 17 17 SER CA C 17 60.767 60.767 61.522 -0.755 18227 4337 1 13 . 1 1 17 17 SER CB C 17 63.325 63.325 62.317 1.008 18227 4338 1 13 . 1 1 17 17 SER H H 17 8.380 8.380 7.619 0.761 18227 4339 1 13 . 1 1 18 18 GLU N N 18 120.901 120.901 119.689 1.212 18227 4340 1 13 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.155 0.304 18227 4341 1 13 . 1 1 18 18 GLU C C 18 177.867 177.867 177.580 0.287 18227 4342 1 13 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.762 -0.539 18227 4343 1 13 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.002 -0.937 18227 4344 1 13 . 1 1 18 18 GLU H H 18 8.233 8.233 8.271 -0.038 18227 4345 1 13 . 1 1 19 19 CYS N N 19 118.899 118.899 117.646 1.253 18227 4346 1 13 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.618 -0.142 18227 4347 1 13 . 1 1 19 19 CYS C C 19 175.896 175.896 175.671 0.225 18227 4348 1 13 . 1 1 19 19 CYS CA C 19 61.262 61.262 59.918 1.344 18227 4349 1 13 . 1 1 19 19 CYS CB C 19 27.059 27.059 30.663 -3.604 18227 4350 1 13 . 1 1 19 19 CYS H H 19 8.245 8.245 7.685 0.560 18227 4351 1 13 . 1 1 20 20 GLU N N 20 120.324 120.324 121.582 -1.258 18227 4352 1 13 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.153 0.174 18227 4353 1 13 . 1 1 20 20 GLU C C 20 177.163 177.163 178.352 -1.189 18227 4354 1 13 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.812 -0.440 18227 4355 1 13 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.220 -1.176 18227 4356 1 13 . 1 1 20 20 GLU H H 20 8.299 8.299 8.292 0.007 18227 4357 1 13 . 1 1 21 21 TYR N N 21 118.601 118.601 122.322 -3.721 18227 4358 1 13 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.355 0.250 18227 4359 1 13 . 1 1 21 21 TYR C C 21 177.166 177.166 177.135 0.031 18227 4360 1 13 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.433 -2.027 18227 4361 1 13 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.462 0.016 18227 4362 1 13 . 1 1 21 21 TYR H H 21 8.165 8.165 9.013 -0.848 18227 4363 1 13 . 1 1 22 22 THR N N 22 112.362 112.362 109.984 2.378 18227 4364 1 13 . 1 1 22 22 THR HA H 22 4.203 4.203 3.879 0.324 18227 4365 1 13 . 1 1 22 22 THR C C 22 176.226 176.226 175.409 0.817 18227 4366 1 13 . 1 1 22 22 THR CA C 22 64.825 64.825 64.840 -0.015 18227 4367 1 13 . 1 1 22 22 THR CB C 22 69.471 69.471 68.024 1.447 18227 4368 1 13 . 1 1 22 22 THR H H 22 8.063 8.063 8.476 -0.413 18227 4369 1 13 . 1 1 23 23 ASP N N 23 121.414 121.414 121.645 -0.231 18227 4370 1 13 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.687 0.056 18227 4371 1 13 . 1 1 23 23 ASP C C 23 176.664 176.664 177.299 -0.635 18227 4372 1 13 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.568 -2.409 18227 4373 1 13 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.883 -4.407 18227 4374 1 13 . 1 1 23 23 ASP H H 23 8.355 8.355 7.989 0.366 18227 4375 1 13 . 1 1 24 24 TRP N N 24 121.858 121.858 122.637 -0.779 18227 4376 1 13 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.065 0.575 18227 4377 1 13 . 1 1 24 24 TRP C C 24 178.311 178.311 177.727 0.584 18227 4378 1 13 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.036 -1.392 18227 4379 1 13 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.454 -0.711 18227 4380 1 13 . 1 1 24 24 TRP H H 24 8.363 8.363 8.722 -0.359 18227 4381 1 13 . 1 1 25 25 LYS N N 25 120.099 120.099 117.221 2.878 18227 4382 1 13 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.440 1.636 18227 4383 1 13 . 1 1 25 25 LYS C C 25 177.946 177.946 178.075 -0.129 18227 4384 1 13 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.222 -0.088 18227 4385 1 13 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.620 0.650 18227 4386 1 13 . 1 1 25 25 LYS H H 25 8.291 8.291 7.321 0.970 18227 4387 1 13 . 1 1 26 26 SER N N 26 113.558 113.558 113.133 0.425 18227 4388 1 13 . 1 1 26 26 SER HA H 26 4.541 4.541 4.286 0.255 18227 4389 1 13 . 1 1 26 26 SER C C 26 175.212 175.212 176.078 -0.866 18227 4390 1 13 . 1 1 26 26 SER CA C 26 59.813 59.813 60.221 -0.408 18227 4391 1 13 . 1 1 26 26 SER CB C 26 63.672 63.672 64.177 -0.505 18227 4392 1 13 . 1 1 26 26 SER H H 26 8.088 8.088 7.868 0.220 18227 4393 1 13 . 1 1 27 27 SER N N 27 116.456 116.456 117.551 -1.095 18227 4394 1 13 . 1 1 27 27 SER HA H 27 4.534 4.534 4.400 0.134 18227 4395 1 13 . 1 1 27 27 SER C C 27 175.216 175.216 175.740 -0.524 18227 4396 1 13 . 1 1 27 27 SER CA C 27 60.042 60.042 59.893 0.149 18227 4397 1 13 . 1 1 27 27 SER CB C 27 63.782 63.782 63.107 0.675 18227 4398 1 13 . 1 1 27 27 SER H H 27 8.025 8.025 8.479 -0.454 18227 4399 1 13 . 1 1 28 28 GLY N N 28 108.769 108.769 107.677 1.092 18227 4400 1 13 . 1 1 28 28 GLY C C 28 174.198 174.198 173.825 0.373 18227 4401 1 13 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.497 1.378 18227 4402 1 13 . 1 1 28 28 GLY H H 28 8.051 8.051 7.552 0.499 18227 4403 1 13 . 1 1 29 29 ALA N N 29 121.719 121.719 122.576 -0.857 18227 4404 1 13 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.491 -0.080 18227 4405 1 13 . 1 1 29 29 ALA C C 29 177.554 177.554 176.968 0.586 18227 4406 1 13 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.341 0.744 18227 4407 1 13 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.687 0.087 18227 4408 1 13 . 1 1 29 29 ALA H H 29 7.749 7.749 7.579 0.170 18227 4409 1 13 . 1 1 30 30 LEU N N 30 118.220 118.220 113.565 4.655 18227 4410 1 13 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.682 -0.136 18227 4411 1 13 . 1 1 30 30 LEU C C 30 176.978 176.978 177.679 -0.701 18227 4412 1 13 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.115 -0.448 18227 4413 1 13 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.806 -0.050 18227 4414 1 13 . 1 1 30 30 LEU H H 30 7.660 7.660 7.405 0.255 18227 4415 1 13 . 1 1 31 31 ILE N N 31 118.934 118.934 120.769 -1.835 18227 4416 1 13 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.173 0.212 18227 4417 1 13 . 1 1 31 31 ILE C C 31 175.025 175.025 174.973 0.052 18227 4418 1 13 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.169 -3.493 18227 4419 1 13 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.222 2.349 18227 4420 1 13 . 1 1 31 31 ILE H H 31 7.446 7.446 7.648 -0.202 18227 4421 1 13 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.271 0.208 18227 4422 1 13 . 1 1 32 32 PRO C C 32 177.601 177.601 178.172 -0.571 18227 4423 1 13 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.990 -0.670 18227 4424 1 13 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.695 0.540 18227 4425 1 13 . 1 1 33 33 ALA N N 33 118.822 118.822 121.913 -3.091 18227 4426 1 13 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.133 0.234 18227 4427 1 13 . 1 1 33 33 ALA C C 33 179.269 179.269 179.798 -0.529 18227 4428 1 13 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.113 -0.296 18227 4429 1 13 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.343 -0.451 18227 4430 1 13 . 1 1 33 33 ALA H H 33 7.293 7.293 7.507 -0.214 18227 4431 1 13 . 1 1 34 34 ILE N N 34 116.953 116.953 118.973 -2.020 18227 4432 1 13 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.683 0.407 18227 4433 1 13 . 1 1 34 34 ILE C C 34 177.061 177.061 178.464 -1.403 18227 4434 1 13 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.940 -0.955 18227 4435 1 13 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.120 0.999 18227 4436 1 13 . 1 1 34 34 ILE H H 34 7.766 7.766 7.698 0.068 18227 4437 1 13 . 1 1 35 35 TYR N N 35 118.432 118.432 119.674 -1.242 18227 4438 1 13 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.078 0.290 18227 4439 1 13 . 1 1 35 35 TYR C C 35 178.052 178.052 178.585 -0.533 18227 4440 1 13 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.461 -1.339 18227 4441 1 13 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.410 -0.474 18227 4442 1 13 . 1 1 35 35 TYR H H 35 7.988 7.988 7.969 0.019 18227 4443 1 13 . 1 1 36 36 MET N N 36 117.042 117.042 117.569 -0.527 18227 4444 1 13 . 1 1 36 36 MET HA H 36 4.534 4.534 4.186 0.348 18227 4445 1 13 . 1 1 36 36 MET C C 36 177.734 177.734 178.837 -1.103 18227 4446 1 13 . 1 1 36 36 MET CA C 36 58.272 58.272 57.858 0.414 18227 4447 1 13 . 1 1 36 36 MET CB C 36 31.979 31.979 32.080 -0.101 18227 4448 1 13 . 1 1 36 36 MET H H 36 7.934 7.934 8.499 -0.565 18227 4449 1 13 . 1 1 37 37 LEU N N 37 120.539 120.539 120.179 0.360 18227 4450 1 13 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.081 0.262 18227 4451 1 13 . 1 1 37 37 LEU C C 37 178.746 178.746 178.602 0.144 18227 4452 1 13 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.369 0.343 18227 4453 1 13 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.113 -0.075 18227 4454 1 13 . 1 1 37 37 LEU H H 37 8.013 8.013 8.436 -0.423 18227 4455 1 13 . 1 1 38 38 VAL N N 38 117.729 117.729 116.502 1.227 18227 4456 1 13 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.935 -0.158 18227 4457 1 13 . 1 1 38 38 VAL C C 38 179.009 179.009 176.336 2.673 18227 4458 1 13 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.480 2.719 18227 4459 1 13 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.117 -0.452 18227 4460 1 13 . 1 1 38 38 VAL H H 38 8.360 8.360 7.802 0.558 18227 4461 1 13 . 1 1 39 39 PHE N N 39 120.549 120.549 122.217 -1.668 18227 4462 1 13 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.476 -0.051 18227 4463 1 13 . 1 1 39 39 PHE C C 39 179.129 179.129 177.330 1.799 18227 4464 1 13 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.431 0.091 18227 4465 1 13 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.993 -1.890 18227 4466 1 13 . 1 1 39 39 PHE H H 39 8.225 8.225 8.195 0.030 18227 4467 1 13 . 1 1 40 40 LEU N N 40 122.778 122.778 116.063 6.715 18227 4468 1 13 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.468 -0.301 18227 4469 1 13 . 1 1 40 40 LEU C C 40 180.673 180.673 177.979 2.694 18227 4470 1 13 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.476 1.162 18227 4471 1 13 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.307 0.857 18227 4472 1 13 . 1 1 40 40 LEU H H 40 8.874 8.874 8.554 0.320 18227 4473 1 13 . 1 1 41 41 LEU N N 41 122.144 122.144 116.937 5.207 18227 4474 1 13 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.514 -0.278 18227 4475 1 13 . 1 1 41 41 LEU C C 41 180.709 180.709 177.657 3.052 18227 4476 1 13 . 1 1 41 41 LEU CA C 41 58.470 58.470 55.371 3.099 18227 4477 1 13 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.698 -0.920 18227 4478 1 13 . 1 1 41 41 LEU H H 41 9.193 9.193 7.777 1.416 18227 4479 1 13 . 1 1 42 42 GLY N N 42 107.124 107.124 105.787 1.337 18227 4480 1 13 . 1 1 42 42 GLY C C 42 176.537 176.537 174.525 2.012 18227 4481 1 13 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.737 0.996 18227 4482 1 13 . 1 1 42 42 GLY H H 42 8.755 8.755 7.724 1.031 18227 4483 1 13 . 1 1 43 43 THR N N 43 113.411 113.411 114.253 -0.842 18227 4484 1 13 . 1 1 43 43 THR HA H 43 4.299 4.299 4.427 -0.128 18227 4485 1 13 . 1 1 43 43 THR C C 43 176.797 176.797 173.619 3.178 18227 4486 1 13 . 1 1 43 43 THR CA C 43 64.990 64.990 60.787 4.203 18227 4487 1 13 . 1 1 43 43 THR CB C 43 69.731 69.731 69.269 0.462 18227 4488 1 13 . 1 1 43 43 THR H H 43 8.179 8.179 7.771 0.408 18227 4489 1 13 . 1 1 44 44 THR N N 44 114.667 114.667 115.769 -1.102 18227 4490 1 13 . 1 1 44 44 THR HA H 44 4.366 4.366 4.445 -0.079 18227 4491 1 13 . 1 1 44 44 THR C C 44 176.375 176.375 175.392 0.983 18227 4492 1 13 . 1 1 44 44 THR CA C 44 64.833 64.833 63.738 1.095 18227 4493 1 13 . 1 1 44 44 THR CB C 44 69.988 69.988 70.392 -0.404 18227 4494 1 13 . 1 1 44 44 THR H H 44 8.026 8.026 7.754 0.272 18227 4495 1 13 . 1 1 45 45 GLY N N 45 109.336 109.336 109.771 -0.435 18227 4496 1 13 . 1 1 45 45 GLY C C 45 174.924 174.924 174.939 -0.015 18227 4497 1 13 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.073 1.654 18227 4498 1 13 . 1 1 45 45 GLY H H 45 8.261 8.261 8.424 -0.163 18227 4499 1 13 . 1 1 46 46 ASN N N 46 117.547 117.547 118.978 -1.431 18227 4500 1 13 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.472 0.267 18227 4501 1 13 . 1 1 46 46 ASN C C 46 176.815 176.815 177.012 -0.197 18227 4502 1 13 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.954 0.396 18227 4503 1 13 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.608 0.885 18227 4504 1 13 . 1 1 46 46 ASN H H 46 8.083 8.083 7.962 0.121 18227 4505 1 13 . 1 1 47 47 GLY N N 47 106.960 106.960 108.553 -1.593 18227 4506 1 13 . 1 1 47 47 GLY C C 47 175.001 175.001 175.808 -0.807 18227 4507 1 13 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.407 0.580 18227 4508 1 13 . 1 1 47 47 GLY H H 47 8.318 8.318 8.142 0.176 18227 4509 1 13 . 1 1 48 48 LEU N N 48 120.991 120.991 122.133 -1.142 18227 4510 1 13 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.072 0.417 18227 4511 1 13 . 1 1 48 48 LEU C C 48 180.375 180.375 178.648 1.727 18227 4512 1 13 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.553 0.695 18227 4513 1 13 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.920 0.127 18227 4514 1 13 . 1 1 48 48 LEU H H 48 7.999 7.999 7.554 0.445 18227 4515 1 13 . 1 1 49 49 VAL N N 49 121.040 121.040 119.210 1.830 18227 4516 1 13 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.697 0.136 18227 4517 1 13 . 1 1 49 49 VAL C C 49 178.016 178.016 177.936 0.080 18227 4518 1 13 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.783 0.434 18227 4519 1 13 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.492 0.448 18227 4520 1 13 . 1 1 49 49 VAL H H 49 7.989 7.989 7.485 0.504 18227 4521 1 13 . 1 1 50 50 LEU N N 50 119.986 119.986 119.391 0.595 18227 4522 1 13 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.929 0.268 18227 4523 1 13 . 1 1 50 50 LEU C C 50 178.823 178.823 179.259 -0.436 18227 4524 1 13 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.890 0.800 18227 4525 1 13 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.419 0.246 18227 4526 1 13 . 1 1 50 50 LEU H H 50 7.926 7.926 7.743 0.183 18227 4527 1 13 . 1 1 51 51 TRP N N 51 117.842 117.842 120.767 -2.925 18227 4528 1 13 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.330 0.357 18227 4529 1 13 . 1 1 51 51 TRP C C 51 178.729 178.729 178.331 0.398 18227 4530 1 13 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.944 -0.564 18227 4531 1 13 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.938 -0.397 18227 4532 1 13 . 1 1 51 51 TRP H H 51 8.525 8.525 7.995 0.530 18227 4533 1 13 . 1 1 52 52 THR N N 52 114.722 114.722 117.769 -3.047 18227 4534 1 13 . 1 1 52 52 THR HA H 52 4.007 4.007 3.642 0.365 18227 4535 1 13 . 1 1 52 52 THR C C 52 176.228 176.228 177.001 -0.773 18227 4536 1 13 . 1 1 52 52 THR CA C 52 67.517 67.517 67.520 -0.003 18227 4537 1 13 . 1 1 52 52 THR CB C 52 69.051 69.051 69.097 -0.046 18227 4538 1 13 . 1 1 52 52 THR H H 52 8.248 8.248 8.624 -0.376 18227 4539 1 13 . 1 1 53 53 VAL N N 53 123.008 123.008 122.293 0.715 18227 4540 1 13 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.614 0.134 18227 4541 1 13 . 1 1 53 53 VAL C C 53 178.474 178.474 177.039 1.435 18227 4542 1 13 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.895 0.560 18227 4543 1 13 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.873 -0.033 18227 4544 1 13 . 1 1 53 53 VAL H H 53 8.634 8.634 8.848 -0.214 18227 4545 1 13 . 1 1 54 54 PHE N N 54 119.554 119.554 117.295 2.259 18227 4546 1 13 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.131 0.279 18227 4547 1 13 . 1 1 54 54 PHE C C 54 179.173 179.173 176.907 2.266 18227 4548 1 13 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.114 -0.027 18227 4549 1 13 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.438 0.352 18227 4550 1 13 . 1 1 54 54 PHE H H 54 8.860 8.860 7.784 1.076 18227 4551 1 13 . 1 1 55 55 ARG N N 55 118.355 118.355 116.571 1.784 18227 4552 1 13 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.211 -0.091 18227 4553 1 13 . 1 1 55 55 ARG C C 55 178.719 178.719 176.449 2.270 18227 4554 1 13 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.861 2.115 18227 4555 1 13 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.375 -0.297 18227 4556 1 13 . 1 1 55 55 ARG H H 55 8.296 8.296 7.458 0.838 18227 4557 1 13 . 1 1 56 56 LYS N N 56 119.698 119.698 116.880 2.818 18227 4558 1 13 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.481 -0.188 18227 4559 1 13 . 1 1 56 56 LYS C C 56 178.742 178.742 177.616 1.126 18227 4560 1 13 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.477 1.574 18227 4561 1 13 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.751 -0.980 18227 4562 1 13 . 1 1 56 56 LYS H H 56 8.377 8.377 8.215 0.162 18227 4563 1 13 . 1 1 57 57 LYS N N 57 119.104 119.104 120.047 -0.943 18227 4564 1 13 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.303 0.042 18227 4565 1 13 . 1 1 57 57 LYS C C 57 178.311 178.311 177.572 0.739 18227 4566 1 13 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.459 0.673 18227 4567 1 13 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.951 -0.261 18227 4568 1 13 . 1 1 57 57 LYS H H 57 8.610 8.610 8.522 0.088 18227 4569 1 13 . 1 1 58 58 GLY N N 58 106.684 106.684 105.849 0.835 18227 4570 1 13 . 1 1 58 58 GLY C C 58 174.451 174.451 175.449 -0.998 18227 4571 1 13 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.594 -0.681 18227 4572 1 13 . 1 1 58 58 GLY H H 58 8.154 8.154 7.516 0.638 18227 4573 1 13 . 1 1 59 59 HIS N N 59 116.995 116.995 118.930 -1.935 18227 4574 1 13 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.329 0.446 18227 4575 1 13 . 1 1 59 59 HIS C C 59 174.529 174.529 175.266 -0.737 18227 4576 1 13 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.168 -1.028 18227 4577 1 13 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.561 -0.934 18227 4578 1 13 . 1 1 59 59 HIS H H 59 8.106 8.106 8.248 -0.142 18227 4579 1 13 . 1 1 60 60 HIS N N 60 117.887 117.887 118.238 -0.351 18227 4580 1 13 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.486 0.360 18227 4581 1 13 . 1 1 60 60 HIS C C 60 174.247 174.247 174.448 -0.201 18227 4582 1 13 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.831 1.075 18227 4583 1 13 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.182 -1.132 18227 4584 1 13 . 1 1 60 60 HIS H H 60 8.425 8.425 7.133 1.292 18227 4585 1 13 . 1 1 61 61 HIS N N 61 118.329 118.329 126.818 -8.489 18227 4586 1 13 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.636 0.237 18227 4587 1 13 . 1 1 61 61 HIS C C 61 174.139 174.139 175.267 -1.128 18227 4588 1 13 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.238 -0.444 18227 4589 1 13 . 1 1 61 61 HIS CB C 61 29.270 29.270 28.942 0.328 18227 4590 1 13 . 1 1 61 61 HIS H H 61 8.573 8.573 8.984 -0.411 18227 4591 1 13 . 1 1 62 62 HIS N N 62 118.968 118.968 118.760 0.208 18227 4592 1 13 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.120 0.755 18227 4593 1 13 . 1 1 62 62 HIS C C 62 173.827 173.827 176.433 -2.606 18227 4594 1 13 . 1 1 62 62 HIS CA C 62 55.768 55.768 59.646 -3.878 18227 4595 1 13 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.293 0.975 18227 4596 1 13 . 1 1 62 62 HIS H H 62 8.662 8.662 8.569 0.093 18227 4597 1 13 . 1 1 63 63 HIS N N 63 118.949 118.949 122.048 -3.099 18227 4598 1 13 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.599 0.251 18227 4599 1 13 . 1 1 63 63 HIS C C 63 173.433 173.433 175.440 -2.007 18227 4600 1 13 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.832 0.957 18227 4601 1 13 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.451 1.011 18227 4602 1 13 . 1 1 63 63 HIS H H 63 8.518 8.518 8.231 0.287 18227 4603 1 14 . 1 1 2 2 GLU N N 2 122.322 122.322 121.310 1.012 18227 4604 1 14 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.005 0.673 18227 4605 1 14 . 1 1 2 2 GLU C C 2 175.160 175.160 175.270 -0.110 18227 4606 1 14 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.200 -1.107 18227 4607 1 14 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.215 0.960 18227 4608 1 14 . 1 1 2 2 GLU H H 2 8.641 8.641 8.503 0.138 18227 4609 1 14 . 1 1 3 3 GLU N N 3 121.391 121.391 115.796 5.595 18227 4610 1 14 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.095 0.535 18227 4611 1 14 . 1 1 3 3 GLU C C 3 176.097 176.097 175.400 0.697 18227 4612 1 14 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.591 -0.504 18227 4613 1 14 . 1 1 3 3 GLU CB C 3 29.184 29.184 28.912 0.272 18227 4614 1 14 . 1 1 3 3 GLU H H 3 8.448 8.448 8.368 0.080 18227 4615 1 14 . 1 1 4 4 GLY N N 4 109.002 109.002 107.405 1.597 18227 4616 1 14 . 1 1 4 4 GLY C C 4 174.407 174.407 173.842 0.565 18227 4617 1 14 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.008 0.437 18227 4618 1 14 . 1 1 4 4 GLY H H 4 8.333 8.333 8.059 0.274 18227 4619 1 14 . 1 1 5 5 GLY N N 5 107.419 107.419 108.519 -1.100 18227 4620 1 14 . 1 1 5 5 GLY C C 5 173.914 173.914 173.277 0.637 18227 4621 1 14 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.714 0.776 18227 4622 1 14 . 1 1 5 5 GLY H H 5 8.120 8.120 8.101 0.019 18227 4623 1 14 . 1 1 6 6 ASP N N 6 117.918 117.918 123.948 -6.030 18227 4624 1 14 . 1 1 6 6 ASP HA H 6 4.906 4.906 3.958 0.948 18227 4625 1 14 . 1 1 6 6 ASP C C 6 175.114 175.114 174.684 0.430 18227 4626 1 14 . 1 1 6 6 ASP CA C 6 53.119 53.119 52.948 0.171 18227 4627 1 14 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.944 -3.985 18227 4628 1 14 . 1 1 6 6 ASP H H 6 8.204 8.204 8.170 0.034 18227 4629 1 14 . 1 1 7 7 PHE N N 7 119.801 119.801 116.624 3.177 18227 4630 1 14 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.174 0.536 18227 4631 1 14 . 1 1 7 7 PHE C C 7 175.789 175.789 175.222 0.567 18227 4632 1 14 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.928 0.748 18227 4633 1 14 . 1 1 7 7 PHE CB C 7 39.169 39.169 35.745 3.424 18227 4634 1 14 . 1 1 7 7 PHE H H 7 8.072 8.072 8.040 0.032 18227 4635 1 14 . 1 1 8 8 ASP N N 8 117.963 117.963 117.733 0.230 18227 4636 1 14 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.778 -0.001 18227 4637 1 14 . 1 1 8 8 ASP C C 8 174.919 174.919 174.956 -0.037 18227 4638 1 14 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.476 0.104 18227 4639 1 14 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.914 -4.191 18227 4640 1 14 . 1 1 8 8 ASP H H 8 8.184 8.184 8.578 -0.394 18227 4641 1 14 . 1 1 9 9 ASN N N 9 117.736 117.736 117.771 -0.035 18227 4642 1 14 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.470 0.320 18227 4643 1 14 . 1 1 9 9 ASN C C 9 174.974 174.974 175.797 -0.823 18227 4644 1 14 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.029 -0.293 18227 4645 1 14 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.729 -0.159 18227 4646 1 14 . 1 1 9 9 ASN H H 9 8.080 8.080 7.725 0.355 18227 4647 1 14 . 1 1 10 10 TYR N N 10 119.580 119.580 117.917 1.663 18227 4648 1 14 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.136 0.490 18227 4649 1 14 . 1 1 10 10 TYR C C 10 175.935 175.935 174.880 1.055 18227 4650 1 14 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.535 -0.756 18227 4651 1 14 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.640 -0.126 18227 4652 1 14 . 1 1 10 10 TYR H H 10 7.869 7.869 8.400 -0.531 18227 4653 1 14 . 1 1 11 11 TYR N N 11 120.254 120.254 122.245 -1.991 18227 4654 1 14 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.008 0.611 18227 4655 1 14 . 1 1 11 11 TYR C C 11 176.666 176.666 174.431 2.235 18227 4656 1 14 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.989 -0.133 18227 4657 1 14 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.197 1.291 18227 4658 1 14 . 1 1 11 11 TYR H H 11 7.906 7.906 8.104 -0.198 18227 4659 1 14 . 1 1 12 12 GLY N N 12 108.226 108.226 105.416 2.810 18227 4660 1 14 . 1 1 12 12 GLY C C 12 174.314 174.314 173.123 1.191 18227 4661 1 14 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.332 0.448 18227 4662 1 14 . 1 1 12 12 GLY H H 12 7.817 7.817 7.928 -0.111 18227 4663 1 14 . 1 1 13 13 ALA N N 13 122.970 122.970 121.681 1.289 18227 4664 1 14 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.877 -0.407 18227 4665 1 14 . 1 1 13 13 ALA C C 13 178.137 178.137 177.054 1.083 18227 4666 1 14 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.114 1.336 18227 4667 1 14 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.007 -1.324 18227 4668 1 14 . 1 1 13 13 ALA H H 13 7.913 7.913 7.789 0.124 18227 4669 1 14 . 1 1 14 14 ASP N N 14 116.374 116.374 117.167 -0.793 18227 4670 1 14 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.597 0.278 18227 4671 1 14 . 1 1 14 14 ASP C C 14 175.450 175.450 177.640 -2.190 18227 4672 1 14 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.702 -1.062 18227 4673 1 14 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.696 -2.834 18227 4674 1 14 . 1 1 14 14 ASP H H 14 8.348 8.348 8.247 0.101 18227 4675 1 14 . 1 1 15 15 ASN N N 15 118.423 118.423 118.692 -0.269 18227 4676 1 14 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.352 0.518 18227 4677 1 14 . 1 1 15 15 ASN C C 15 176.054 176.054 175.579 0.475 18227 4678 1 14 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.511 -1.083 18227 4679 1 14 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.413 0.269 18227 4680 1 14 . 1 1 15 15 ASN H H 15 8.272 8.272 8.524 -0.252 18227 4681 1 14 . 1 1 16 16 GLN N N 16 120.129 120.129 113.162 6.967 18227 4682 1 14 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.433 -0.017 18227 4683 1 14 . 1 1 16 16 GLN C C 16 177.337 177.337 175.694 1.643 18227 4684 1 14 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.707 1.549 18227 4685 1 14 . 1 1 16 16 GLN CB C 16 28.784 28.784 29.017 -0.233 18227 4686 1 14 . 1 1 16 16 GLN H H 16 8.481 8.481 8.210 0.271 18227 4687 1 14 . 1 1 17 17 SER N N 17 115.051 115.051 116.412 -1.361 18227 4688 1 14 . 1 1 17 17 SER HA H 17 4.505 4.505 4.524 -0.019 18227 4689 1 14 . 1 1 17 17 SER C C 17 175.596 175.596 176.263 -0.667 18227 4690 1 14 . 1 1 17 17 SER CA C 17 60.767 60.767 60.295 0.472 18227 4691 1 14 . 1 1 17 17 SER CB C 17 63.325 63.325 65.355 -2.030 18227 4692 1 14 . 1 1 17 17 SER H H 17 8.380 8.380 8.099 0.281 18227 4693 1 14 . 1 1 18 18 GLU N N 18 120.901 120.901 122.419 -1.518 18227 4694 1 14 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.072 0.387 18227 4695 1 14 . 1 1 18 18 GLU C C 18 177.867 177.867 178.436 -0.569 18227 4696 1 14 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.280 -1.057 18227 4697 1 14 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.372 -1.307 18227 4698 1 14 . 1 1 18 18 GLU H H 18 8.233 8.233 8.121 0.112 18227 4699 1 14 . 1 1 19 19 CYS N N 19 118.899 118.899 114.180 4.719 18227 4700 1 14 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.476 0.000 18227 4701 1 14 . 1 1 19 19 CYS C C 19 175.896 175.896 176.231 -0.335 18227 4702 1 14 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.306 -0.044 18227 4703 1 14 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.341 -1.282 18227 4704 1 14 . 1 1 19 19 CYS H H 19 8.245 8.245 8.085 0.160 18227 4705 1 14 . 1 1 20 20 GLU N N 20 120.324 120.324 121.773 -1.449 18227 4706 1 14 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.200 0.127 18227 4707 1 14 . 1 1 20 20 GLU C C 20 177.163 177.163 177.769 -0.606 18227 4708 1 14 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.227 0.145 18227 4709 1 14 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.446 -1.402 18227 4710 1 14 . 1 1 20 20 GLU H H 20 8.299 8.299 8.332 -0.033 18227 4711 1 14 . 1 1 21 21 TYR N N 21 118.601 118.601 121.344 -2.743 18227 4712 1 14 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.318 0.287 18227 4713 1 14 . 1 1 21 21 TYR C C 21 177.166 177.166 177.142 0.024 18227 4714 1 14 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.012 -1.606 18227 4715 1 14 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.706 -0.229 18227 4716 1 14 . 1 1 21 21 TYR H H 21 8.165 8.165 9.025 -0.860 18227 4717 1 14 . 1 1 22 22 THR N N 22 112.362 112.362 109.346 3.016 18227 4718 1 14 . 1 1 22 22 THR HA H 22 4.203 4.203 4.140 0.063 18227 4719 1 14 . 1 1 22 22 THR C C 22 176.226 176.226 175.033 1.193 18227 4720 1 14 . 1 1 22 22 THR CA C 22 64.825 64.825 64.388 0.438 18227 4721 1 14 . 1 1 22 22 THR CB C 22 69.471 69.471 68.301 1.170 18227 4722 1 14 . 1 1 22 22 THR H H 22 8.063 8.063 8.274 -0.211 18227 4723 1 14 . 1 1 23 23 ASP N N 23 121.414 121.414 122.858 -1.444 18227 4724 1 14 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.701 0.042 18227 4725 1 14 . 1 1 23 23 ASP C C 23 176.664 176.664 177.161 -0.497 18227 4726 1 14 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.349 -2.191 18227 4727 1 14 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.071 -4.596 18227 4728 1 14 . 1 1 23 23 ASP H H 23 8.355 8.355 8.257 0.098 18227 4729 1 14 . 1 1 24 24 TRP N N 24 121.858 121.858 123.190 -1.332 18227 4730 1 14 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.120 0.520 18227 4731 1 14 . 1 1 24 24 TRP C C 24 178.311 178.311 177.217 1.094 18227 4732 1 14 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.425 -1.781 18227 4733 1 14 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.367 -0.624 18227 4734 1 14 . 1 1 24 24 TRP H H 24 8.363 8.363 8.891 -0.528 18227 4735 1 14 . 1 1 25 25 LYS N N 25 120.099 120.099 117.450 2.649 18227 4736 1 14 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.408 1.668 18227 4737 1 14 . 1 1 25 25 LYS C C 25 177.946 177.946 177.598 0.348 18227 4738 1 14 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.945 0.189 18227 4739 1 14 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.545 0.725 18227 4740 1 14 . 1 1 25 25 LYS H H 25 8.291 8.291 7.325 0.966 18227 4741 1 14 . 1 1 26 26 SER N N 26 113.558 113.558 113.572 -0.014 18227 4742 1 14 . 1 1 26 26 SER HA H 26 4.541 4.541 4.332 0.209 18227 4743 1 14 . 1 1 26 26 SER C C 26 175.212 175.212 175.301 -0.089 18227 4744 1 14 . 1 1 26 26 SER CA C 26 59.813 59.813 60.683 -0.870 18227 4745 1 14 . 1 1 26 26 SER CB C 26 63.672 63.672 64.448 -0.776 18227 4746 1 14 . 1 1 26 26 SER H H 26 8.088 8.088 7.476 0.612 18227 4747 1 14 . 1 1 27 27 SER N N 27 116.456 116.456 115.984 0.472 18227 4748 1 14 . 1 1 27 27 SER HA H 27 4.534 4.534 4.539 -0.005 18227 4749 1 14 . 1 1 27 27 SER C C 27 175.216 175.216 174.760 0.456 18227 4750 1 14 . 1 1 27 27 SER CA C 27 60.042 60.042 58.829 1.213 18227 4751 1 14 . 1 1 27 27 SER CB C 27 63.782 63.782 62.762 1.020 18227 4752 1 14 . 1 1 27 27 SER H H 27 8.025 8.025 8.485 -0.460 18227 4753 1 14 . 1 1 28 28 GLY N N 28 108.769 108.769 108.419 0.350 18227 4754 1 14 . 1 1 28 28 GLY C C 28 174.198 174.198 172.898 1.300 18227 4755 1 14 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.036 0.839 18227 4756 1 14 . 1 1 28 28 GLY H H 28 8.051 8.051 7.954 0.097 18227 4757 1 14 . 1 1 29 29 ALA N N 29 121.719 121.719 122.344 -0.625 18227 4758 1 14 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.400 0.011 18227 4759 1 14 . 1 1 29 29 ALA C C 29 177.554 177.554 177.326 0.228 18227 4760 1 14 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.777 -0.692 18227 4761 1 14 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.893 -0.119 18227 4762 1 14 . 1 1 29 29 ALA H H 29 7.749 7.749 7.677 0.072 18227 4763 1 14 . 1 1 30 30 LEU N N 30 118.220 118.220 112.358 5.862 18227 4764 1 14 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.504 0.042 18227 4765 1 14 . 1 1 30 30 LEU C C 30 176.978 176.978 177.741 -0.763 18227 4766 1 14 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.746 -0.079 18227 4767 1 14 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.483 0.273 18227 4768 1 14 . 1 1 30 30 LEU H H 30 7.660 7.660 7.607 0.053 18227 4769 1 14 . 1 1 31 31 ILE N N 31 118.934 118.934 120.648 -1.714 18227 4770 1 14 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.286 0.099 18227 4771 1 14 . 1 1 31 31 ILE C C 31 175.025 175.025 175.339 -0.314 18227 4772 1 14 . 1 1 31 31 ILE CA C 31 62.676 62.676 62.022 0.654 18227 4773 1 14 . 1 1 31 31 ILE CB C 31 37.571 37.571 34.789 2.782 18227 4774 1 14 . 1 1 31 31 ILE H H 31 7.446 7.446 8.137 -0.691 18227 4775 1 14 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.316 0.163 18227 4776 1 14 . 1 1 32 32 PRO C C 32 177.601 177.601 178.468 -0.867 18227 4777 1 14 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.694 -0.374 18227 4778 1 14 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.860 0.376 18227 4779 1 14 . 1 1 33 33 ALA N N 33 118.822 118.822 121.938 -3.116 18227 4780 1 14 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.133 0.234 18227 4781 1 14 . 1 1 33 33 ALA C C 33 179.269 179.269 179.889 -0.620 18227 4782 1 14 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.023 -0.206 18227 4783 1 14 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.292 -0.400 18227 4784 1 14 . 1 1 33 33 ALA H H 33 7.293 7.293 8.216 -0.923 18227 4785 1 14 . 1 1 34 34 ILE N N 34 116.953 116.953 118.936 -1.983 18227 4786 1 14 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.652 0.438 18227 4787 1 14 . 1 1 34 34 ILE C C 34 177.061 177.061 178.429 -1.368 18227 4788 1 14 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.931 -0.946 18227 4789 1 14 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.089 1.030 18227 4790 1 14 . 1 1 34 34 ILE H H 34 7.766 7.766 8.034 -0.268 18227 4791 1 14 . 1 1 35 35 TYR N N 35 118.432 118.432 119.420 -0.988 18227 4792 1 14 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.042 0.326 18227 4793 1 14 . 1 1 35 35 TYR C C 35 178.052 178.052 178.335 -0.283 18227 4794 1 14 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.466 -1.344 18227 4795 1 14 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.264 -0.327 18227 4796 1 14 . 1 1 35 35 TYR H H 35 7.988 7.988 7.680 0.308 18227 4797 1 14 . 1 1 36 36 MET N N 36 117.042 117.042 118.098 -1.056 18227 4798 1 14 . 1 1 36 36 MET HA H 36 4.534 4.534 4.187 0.347 18227 4799 1 14 . 1 1 36 36 MET C C 36 177.734 177.734 178.481 -0.747 18227 4800 1 14 . 1 1 36 36 MET CA C 36 58.272 58.272 57.929 0.343 18227 4801 1 14 . 1 1 36 36 MET CB C 36 31.979 31.979 32.079 -0.100 18227 4802 1 14 . 1 1 36 36 MET H H 36 7.934 7.934 8.729 -0.795 18227 4803 1 14 . 1 1 37 37 LEU N N 37 120.539 120.539 120.088 0.451 18227 4804 1 14 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.045 0.298 18227 4805 1 14 . 1 1 37 37 LEU C C 37 178.746 178.746 178.534 0.212 18227 4806 1 14 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.206 0.506 18227 4807 1 14 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.120 -0.082 18227 4808 1 14 . 1 1 37 37 LEU H H 37 8.013 8.013 8.513 -0.500 18227 4809 1 14 . 1 1 38 38 VAL N N 38 117.729 117.729 116.495 1.234 18227 4810 1 14 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.850 -0.073 18227 4811 1 14 . 1 1 38 38 VAL C C 38 179.009 179.009 176.390 2.619 18227 4812 1 14 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.490 2.709 18227 4813 1 14 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.267 -0.602 18227 4814 1 14 . 1 1 38 38 VAL H H 38 8.360 8.360 7.751 0.609 18227 4815 1 14 . 1 1 39 39 PHE N N 39 120.549 120.549 121.840 -1.291 18227 4816 1 14 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.374 0.051 18227 4817 1 14 . 1 1 39 39 PHE C C 39 179.129 179.129 176.870 2.259 18227 4818 1 14 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.051 0.471 18227 4819 1 14 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.803 -1.700 18227 4820 1 14 . 1 1 39 39 PHE H H 39 8.225 8.225 8.133 0.092 18227 4821 1 14 . 1 1 40 40 LEU N N 40 122.778 122.778 113.556 9.222 18227 4822 1 14 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.408 -0.241 18227 4823 1 14 . 1 1 40 40 LEU C C 40 180.673 180.673 177.028 3.645 18227 4824 1 14 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.461 2.177 18227 4825 1 14 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.711 0.453 18227 4826 1 14 . 1 1 40 40 LEU H H 40 8.874 8.874 8.194 0.680 18227 4827 1 14 . 1 1 41 41 LEU N N 41 122.144 122.144 116.932 5.212 18227 4828 1 14 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.569 -0.333 18227 4829 1 14 . 1 1 41 41 LEU C C 41 180.709 180.709 177.330 3.379 18227 4830 1 14 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.744 3.726 18227 4831 1 14 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.072 -1.294 18227 4832 1 14 . 1 1 41 41 LEU H H 41 9.193 9.193 7.536 1.657 18227 4833 1 14 . 1 1 42 42 GLY N N 42 107.124 107.124 106.243 0.881 18227 4834 1 14 . 1 1 42 42 GLY C C 42 176.537 176.537 174.424 2.113 18227 4835 1 14 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.513 1.220 18227 4836 1 14 . 1 1 42 42 GLY H H 42 8.755 8.755 7.311 1.444 18227 4837 1 14 . 1 1 43 43 THR N N 43 113.411 113.411 113.517 -0.106 18227 4838 1 14 . 1 1 43 43 THR HA H 43 4.299 4.299 4.361 -0.062 18227 4839 1 14 . 1 1 43 43 THR C C 43 176.797 176.797 173.952 2.845 18227 4840 1 14 . 1 1 43 43 THR CA C 43 64.990 64.990 61.776 3.214 18227 4841 1 14 . 1 1 43 43 THR CB C 43 69.731 69.731 69.143 0.588 18227 4842 1 14 . 1 1 43 43 THR H H 43 8.179 8.179 7.570 0.609 18227 4843 1 14 . 1 1 44 44 THR N N 44 114.667 114.667 116.214 -1.547 18227 4844 1 14 . 1 1 44 44 THR HA H 44 4.366 4.366 4.431 -0.065 18227 4845 1 14 . 1 1 44 44 THR C C 44 176.375 176.375 175.430 0.945 18227 4846 1 14 . 1 1 44 44 THR CA C 44 64.833 64.833 63.833 1.000 18227 4847 1 14 . 1 1 44 44 THR CB C 44 69.988 69.988 69.906 0.082 18227 4848 1 14 . 1 1 44 44 THR H H 44 8.026 8.026 7.898 0.128 18227 4849 1 14 . 1 1 45 45 GLY N N 45 109.336 109.336 109.113 0.223 18227 4850 1 14 . 1 1 45 45 GLY C C 45 174.924 174.924 174.733 0.191 18227 4851 1 14 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.573 2.154 18227 4852 1 14 . 1 1 45 45 GLY H H 45 8.261 8.261 8.598 -0.337 18227 4853 1 14 . 1 1 46 46 ASN N N 46 117.547 117.547 118.078 -0.531 18227 4854 1 14 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.752 -0.013 18227 4855 1 14 . 1 1 46 46 ASN C C 46 176.815 176.815 176.296 0.519 18227 4856 1 14 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.035 0.315 18227 4857 1 14 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.289 -0.796 18227 4858 1 14 . 1 1 46 46 ASN H H 46 8.083 8.083 8.013 0.070 18227 4859 1 14 . 1 1 47 47 GLY N N 47 106.960 106.960 109.364 -2.404 18227 4860 1 14 . 1 1 47 47 GLY C C 47 175.001 175.001 176.034 -1.033 18227 4861 1 14 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.140 0.847 18227 4862 1 14 . 1 1 47 47 GLY H H 47 8.318 8.318 8.289 0.029 18227 4863 1 14 . 1 1 48 48 LEU N N 48 120.991 120.991 122.373 -1.382 18227 4864 1 14 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.077 0.412 18227 4865 1 14 . 1 1 48 48 LEU C C 48 180.375 180.375 178.516 1.859 18227 4866 1 14 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.468 0.781 18227 4867 1 14 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.825 0.222 18227 4868 1 14 . 1 1 48 48 LEU H H 48 7.999 7.999 7.663 0.336 18227 4869 1 14 . 1 1 49 49 VAL N N 49 121.040 121.040 118.156 2.884 18227 4870 1 14 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.661 0.172 18227 4871 1 14 . 1 1 49 49 VAL C C 49 178.016 178.016 177.886 0.130 18227 4872 1 14 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.729 0.488 18227 4873 1 14 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.858 0.082 18227 4874 1 14 . 1 1 49 49 VAL H H 49 7.989 7.989 7.708 0.281 18227 4875 1 14 . 1 1 50 50 LEU N N 50 119.986 119.986 118.864 1.122 18227 4876 1 14 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.924 0.273 18227 4877 1 14 . 1 1 50 50 LEU C C 50 178.823 178.823 179.276 -0.453 18227 4878 1 14 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.504 1.186 18227 4879 1 14 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.276 0.389 18227 4880 1 14 . 1 1 50 50 LEU H H 50 7.926 7.926 7.603 0.323 18227 4881 1 14 . 1 1 51 51 TRP N N 51 117.842 117.842 121.205 -3.363 18227 4882 1 14 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.376 0.311 18227 4883 1 14 . 1 1 51 51 TRP C C 51 178.729 178.729 178.350 0.379 18227 4884 1 14 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.938 -0.558 18227 4885 1 14 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.940 -0.399 18227 4886 1 14 . 1 1 51 51 TRP H H 51 8.525 8.525 8.126 0.399 18227 4887 1 14 . 1 1 52 52 THR N N 52 114.722 114.722 117.911 -3.189 18227 4888 1 14 . 1 1 52 52 THR HA H 52 4.007 4.007 3.625 0.382 18227 4889 1 14 . 1 1 52 52 THR C C 52 176.228 176.228 176.992 -0.764 18227 4890 1 14 . 1 1 52 52 THR CA C 52 67.517 67.517 67.585 -0.068 18227 4891 1 14 . 1 1 52 52 THR CB C 52 69.051 69.051 69.079 -0.028 18227 4892 1 14 . 1 1 52 52 THR H H 52 8.248 8.248 8.667 -0.419 18227 4893 1 14 . 1 1 53 53 VAL N N 53 123.008 123.008 122.438 0.570 18227 4894 1 14 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.631 0.117 18227 4895 1 14 . 1 1 53 53 VAL C C 53 178.474 178.474 176.977 1.497 18227 4896 1 14 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.955 0.500 18227 4897 1 14 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.878 -0.038 18227 4898 1 14 . 1 1 53 53 VAL H H 53 8.634 8.634 8.879 -0.245 18227 4899 1 14 . 1 1 54 54 PHE N N 54 119.554 119.554 117.360 2.194 18227 4900 1 14 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.173 0.237 18227 4901 1 14 . 1 1 54 54 PHE C C 54 179.173 179.173 176.761 2.412 18227 4902 1 14 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.707 0.380 18227 4903 1 14 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.451 0.339 18227 4904 1 14 . 1 1 54 54 PHE H H 54 8.860 8.860 7.731 1.129 18227 4905 1 14 . 1 1 55 55 ARG N N 55 118.355 118.355 116.181 2.174 18227 4906 1 14 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.215 -0.095 18227 4907 1 14 . 1 1 55 55 ARG C C 55 178.719 178.719 176.207 2.512 18227 4908 1 14 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.725 2.251 18227 4909 1 14 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.519 -0.441 18227 4910 1 14 . 1 1 55 55 ARG H H 55 8.296 8.296 7.640 0.656 18227 4911 1 14 . 1 1 56 56 LYS N N 56 119.698 119.698 118.215 1.483 18227 4912 1 14 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.377 -0.084 18227 4913 1 14 . 1 1 56 56 LYS C C 56 178.742 178.742 177.036 1.706 18227 4914 1 14 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.482 1.569 18227 4915 1 14 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.334 -1.562 18227 4916 1 14 . 1 1 56 56 LYS H H 56 8.377 8.377 8.150 0.227 18227 4917 1 14 . 1 1 57 57 LYS N N 57 119.104 119.104 119.782 -0.678 18227 4918 1 14 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.512 -0.167 18227 4919 1 14 . 1 1 57 57 LYS C C 57 178.311 178.311 177.551 0.760 18227 4920 1 14 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.349 -0.217 18227 4921 1 14 . 1 1 57 57 LYS CB C 57 32.690 32.690 34.321 -1.631 18227 4922 1 14 . 1 1 57 57 LYS H H 57 8.610 8.610 8.182 0.428 18227 4923 1 14 . 1 1 58 58 GLY N N 58 106.684 106.684 106.192 0.492 18227 4924 1 14 . 1 1 58 58 GLY C C 58 174.451 174.451 175.096 -0.645 18227 4925 1 14 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.499 -0.586 18227 4926 1 14 . 1 1 58 58 GLY H H 58 8.154 8.154 7.645 0.509 18227 4927 1 14 . 1 1 59 59 HIS N N 59 116.995 116.995 117.847 -0.852 18227 4928 1 14 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.124 0.651 18227 4929 1 14 . 1 1 59 59 HIS C C 59 174.529 174.529 175.423 -0.894 18227 4930 1 14 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.777 -1.637 18227 4931 1 14 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.249 -0.622 18227 4932 1 14 . 1 1 59 59 HIS H H 59 8.106 8.106 8.395 -0.289 18227 4933 1 14 . 1 1 60 60 HIS N N 60 117.887 117.887 115.477 2.410 18227 4934 1 14 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.136 0.710 18227 4935 1 14 . 1 1 60 60 HIS C C 60 174.247 174.247 174.745 -0.498 18227 4936 1 14 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.258 -0.351 18227 4937 1 14 . 1 1 60 60 HIS CB C 60 29.050 29.050 31.133 -2.083 18227 4938 1 14 . 1 1 60 60 HIS H H 60 8.425 8.425 7.486 0.939 18227 4939 1 14 . 1 1 61 61 HIS N N 61 118.329 118.329 113.787 4.542 18227 4940 1 14 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.695 0.178 18227 4941 1 14 . 1 1 61 61 HIS C C 61 174.139 174.139 174.414 -0.275 18227 4942 1 14 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.037 0.757 18227 4943 1 14 . 1 1 61 61 HIS CB C 61 29.270 29.270 32.502 -3.232 18227 4944 1 14 . 1 1 61 61 HIS H H 61 8.573 8.573 8.111 0.462 18227 4945 1 14 . 1 1 62 62 HIS N N 62 118.968 118.968 121.777 -2.809 18227 4946 1 14 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.492 0.383 18227 4947 1 14 . 1 1 62 62 HIS C C 62 173.827 173.827 175.433 -1.606 18227 4948 1 14 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.358 -1.589 18227 4949 1 14 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.013 0.255 18227 4950 1 14 . 1 1 62 62 HIS H H 62 8.662 8.662 8.755 -0.093 18227 4951 1 14 . 1 1 63 63 HIS N N 63 118.949 118.949 124.599 -5.650 18227 4952 1 14 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.071 0.779 18227 4953 1 14 . 1 1 63 63 HIS C C 63 173.433 173.433 174.098 -0.665 18227 4954 1 14 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.637 -0.848 18227 4955 1 14 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.878 1.584 18227 4956 1 14 . 1 1 63 63 HIS H H 63 8.518 8.518 8.724 -0.206 18227 4957 1 15 . 1 1 2 2 GLU N N 2 122.322 122.322 121.774 0.548 18227 4958 1 15 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.909 -0.231 18227 4959 1 15 . 1 1 2 2 GLU C C 2 175.160 175.160 175.653 -0.493 18227 4960 1 15 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.072 0.021 18227 4961 1 15 . 1 1 2 2 GLU CB C 2 29.175 29.175 31.889 -2.714 18227 4962 1 15 . 1 1 2 2 GLU H H 2 8.641 8.641 8.419 0.222 18227 4963 1 15 . 1 1 3 3 GLU N N 3 121.391 121.391 118.738 2.653 18227 4964 1 15 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.387 0.243 18227 4965 1 15 . 1 1 3 3 GLU C C 3 176.097 176.097 176.205 -0.108 18227 4966 1 15 . 1 1 3 3 GLU CA C 3 56.087 56.087 55.810 0.277 18227 4967 1 15 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.913 -1.728 18227 4968 1 15 . 1 1 3 3 GLU H H 3 8.448 8.448 8.352 0.096 18227 4969 1 15 . 1 1 4 4 GLY N N 4 109.002 109.002 108.590 0.412 18227 4970 1 15 . 1 1 4 4 GLY C C 4 174.407 174.407 173.981 0.426 18227 4971 1 15 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.099 0.346 18227 4972 1 15 . 1 1 4 4 GLY H H 4 8.333 8.333 8.239 0.094 18227 4973 1 15 . 1 1 5 5 GLY N N 5 107.419 107.419 107.211 0.208 18227 4974 1 15 . 1 1 5 5 GLY C C 5 173.914 173.914 173.043 0.871 18227 4975 1 15 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.791 0.699 18227 4976 1 15 . 1 1 5 5 GLY H H 5 8.120 8.120 8.366 -0.246 18227 4977 1 15 . 1 1 6 6 ASP N N 6 117.918 117.918 122.302 -4.384 18227 4978 1 15 . 1 1 6 6 ASP HA H 6 4.906 4.906 5.099 -0.193 18227 4979 1 15 . 1 1 6 6 ASP C C 6 175.114 175.114 175.609 -0.495 18227 4980 1 15 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.095 -0.976 18227 4981 1 15 . 1 1 6 6 ASP CB C 6 37.959 37.959 42.131 -4.172 18227 4982 1 15 . 1 1 6 6 ASP H H 6 8.204 8.204 8.652 -0.448 18227 4983 1 15 . 1 1 7 7 PHE N N 7 119.801 119.801 119.952 -0.151 18227 4984 1 15 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.605 0.105 18227 4985 1 15 . 1 1 7 7 PHE C C 7 175.789 175.789 174.889 0.900 18227 4986 1 15 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.967 0.709 18227 4987 1 15 . 1 1 7 7 PHE CB C 7 39.169 39.169 41.318 -2.149 18227 4988 1 15 . 1 1 7 7 PHE H H 7 8.072 8.072 7.689 0.383 18227 4989 1 15 . 1 1 8 8 ASP N N 8 117.963 117.963 120.597 -2.634 18227 4990 1 15 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.202 0.575 18227 4991 1 15 . 1 1 8 8 ASP C C 8 174.919 174.919 176.300 -1.381 18227 4992 1 15 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.840 -1.260 18227 4993 1 15 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.622 -2.899 18227 4994 1 15 . 1 1 8 8 ASP H H 8 8.184 8.184 8.635 -0.451 18227 4995 1 15 . 1 1 9 9 ASN N N 9 117.736 117.736 115.446 2.290 18227 4996 1 15 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.304 0.486 18227 4997 1 15 . 1 1 9 9 ASN C C 9 174.974 174.974 175.827 -0.853 18227 4998 1 15 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.419 -1.683 18227 4999 1 15 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.623 0.947 18227 5000 1 15 . 1 1 9 9 ASN H H 9 8.080 8.080 8.278 -0.198 18227 5001 1 15 . 1 1 10 10 TYR N N 10 119.580 119.580 117.723 1.857 18227 5002 1 15 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.155 0.471 18227 5003 1 15 . 1 1 10 10 TYR C C 10 175.935 175.935 176.278 -0.343 18227 5004 1 15 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.378 0.401 18227 5005 1 15 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.203 0.311 18227 5006 1 15 . 1 1 10 10 TYR H H 10 7.869 7.869 7.930 -0.061 18227 5007 1 15 . 1 1 11 11 TYR N N 11 120.254 120.254 120.740 -0.486 18227 5008 1 15 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.038 0.581 18227 5009 1 15 . 1 1 11 11 TYR C C 11 176.666 176.666 174.650 2.016 18227 5010 1 15 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.068 -0.212 18227 5011 1 15 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.090 1.398 18227 5012 1 15 . 1 1 11 11 TYR H H 11 7.906 7.906 8.919 -1.013 18227 5013 1 15 . 1 1 12 12 GLY N N 12 108.226 108.226 103.904 4.322 18227 5014 1 15 . 1 1 12 12 GLY C C 12 174.314 174.314 173.571 0.743 18227 5015 1 15 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.329 0.451 18227 5016 1 15 . 1 1 12 12 GLY H H 12 7.817 7.817 7.820 -0.003 18227 5017 1 15 . 1 1 13 13 ALA N N 13 122.970 122.970 123.673 -0.703 18227 5018 1 15 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.310 0.160 18227 5019 1 15 . 1 1 13 13 ALA C C 13 178.137 178.137 177.655 0.482 18227 5020 1 15 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.479 -0.029 18227 5021 1 15 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.618 -0.935 18227 5022 1 15 . 1 1 13 13 ALA H H 13 7.913 7.913 8.248 -0.335 18227 5023 1 15 . 1 1 14 14 ASP N N 14 116.374 116.374 116.660 -0.286 18227 5024 1 15 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.587 0.288 18227 5025 1 15 . 1 1 14 14 ASP C C 14 175.450 175.450 177.510 -2.060 18227 5026 1 15 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.559 -0.919 18227 5027 1 15 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.023 -3.161 18227 5028 1 15 . 1 1 14 14 ASP H H 14 8.348 8.348 8.290 0.058 18227 5029 1 15 . 1 1 15 15 ASN N N 15 118.423 118.423 118.750 -0.327 18227 5030 1 15 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.246 0.624 18227 5031 1 15 . 1 1 15 15 ASN C C 15 176.054 176.054 176.474 -0.420 18227 5032 1 15 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.949 -1.521 18227 5033 1 15 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.126 0.556 18227 5034 1 15 . 1 1 15 15 ASN H H 15 8.272 8.272 8.823 -0.551 18227 5035 1 15 . 1 1 16 16 GLN N N 16 120.129 120.129 116.929 3.200 18227 5036 1 15 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.280 0.136 18227 5037 1 15 . 1 1 16 16 GLN C C 16 177.337 177.337 177.781 -0.444 18227 5038 1 15 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.239 0.017 18227 5039 1 15 . 1 1 16 16 GLN CB C 16 28.784 28.784 29.047 -0.263 18227 5040 1 15 . 1 1 16 16 GLN H H 16 8.481 8.481 8.077 0.404 18227 5041 1 15 . 1 1 17 17 SER N N 17 115.051 115.051 116.492 -1.441 18227 5042 1 15 . 1 1 17 17 SER HA H 17 4.505 4.505 4.137 0.368 18227 5043 1 15 . 1 1 17 17 SER C C 17 175.596 175.596 176.514 -0.918 18227 5044 1 15 . 1 1 17 17 SER CA C 17 60.767 60.767 61.645 -0.878 18227 5045 1 15 . 1 1 17 17 SER CB C 17 63.325 63.325 62.606 0.719 18227 5046 1 15 . 1 1 17 17 SER H H 17 8.380 8.380 8.185 0.195 18227 5047 1 15 . 1 1 18 18 GLU N N 18 120.901 120.901 120.382 0.519 18227 5048 1 15 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.088 0.371 18227 5049 1 15 . 1 1 18 18 GLU C C 18 177.867 177.867 179.117 -1.250 18227 5050 1 15 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.159 -0.936 18227 5051 1 15 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.256 -1.191 18227 5052 1 15 . 1 1 18 18 GLU H H 18 8.233 8.233 8.258 -0.025 18227 5053 1 15 . 1 1 19 19 CYS N N 19 118.899 118.899 116.670 2.229 18227 5054 1 15 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.348 0.128 18227 5055 1 15 . 1 1 19 19 CYS C C 19 175.896 175.896 175.871 0.025 18227 5056 1 15 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.752 -0.490 18227 5057 1 15 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.504 -1.445 18227 5058 1 15 . 1 1 19 19 CYS H H 19 8.245 8.245 7.699 0.546 18227 5059 1 15 . 1 1 20 20 GLU N N 20 120.324 120.324 118.517 1.807 18227 5060 1 15 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.392 -0.065 18227 5061 1 15 . 1 1 20 20 GLU C C 20 177.163 177.163 177.737 -0.574 18227 5062 1 15 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.457 0.915 18227 5063 1 15 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.853 -1.809 18227 5064 1 15 . 1 1 20 20 GLU H H 20 8.299 8.299 8.120 0.179 18227 5065 1 15 . 1 1 21 21 TYR N N 21 118.601 118.601 122.476 -3.875 18227 5066 1 15 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.398 0.207 18227 5067 1 15 . 1 1 21 21 TYR C C 21 177.166 177.166 177.094 0.072 18227 5068 1 15 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.555 -2.149 18227 5069 1 15 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.749 -0.271 18227 5070 1 15 . 1 1 21 21 TYR H H 21 8.165 8.165 8.668 -0.503 18227 5071 1 15 . 1 1 22 22 THR N N 22 112.362 112.362 110.857 1.505 18227 5072 1 15 . 1 1 22 22 THR HA H 22 4.203 4.203 4.182 0.021 18227 5073 1 15 . 1 1 22 22 THR C C 22 176.226 176.226 175.738 0.488 18227 5074 1 15 . 1 1 22 22 THR CA C 22 64.825 64.825 64.883 -0.058 18227 5075 1 15 . 1 1 22 22 THR CB C 22 69.471 69.471 68.531 0.940 18227 5076 1 15 . 1 1 22 22 THR H H 22 8.063 8.063 8.046 0.017 18227 5077 1 15 . 1 1 23 23 ASP N N 23 121.414 121.414 121.336 0.078 18227 5078 1 15 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.656 0.087 18227 5079 1 15 . 1 1 23 23 ASP C C 23 176.664 176.664 177.265 -0.601 18227 5080 1 15 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.720 -0.561 18227 5081 1 15 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.319 -3.844 18227 5082 1 15 . 1 1 23 23 ASP H H 23 8.355 8.355 7.823 0.532 18227 5083 1 15 . 1 1 24 24 TRP N N 24 121.858 121.858 123.254 -1.396 18227 5084 1 15 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.069 0.571 18227 5085 1 15 . 1 1 24 24 TRP C C 24 178.311 178.311 177.665 0.646 18227 5086 1 15 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.178 -1.534 18227 5087 1 15 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.297 -0.554 18227 5088 1 15 . 1 1 24 24 TRP H H 24 8.363 8.363 8.599 -0.236 18227 5089 1 15 . 1 1 25 25 LYS N N 25 120.099 120.099 117.656 2.443 18227 5090 1 15 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.492 1.584 18227 5091 1 15 . 1 1 25 25 LYS C C 25 177.946 177.946 177.867 0.079 18227 5092 1 15 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.216 -0.082 18227 5093 1 15 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.762 0.508 18227 5094 1 15 . 1 1 25 25 LYS H H 25 8.291 8.291 7.270 1.021 18227 5095 1 15 . 1 1 26 26 SER N N 26 113.558 113.558 113.398 0.160 18227 5096 1 15 . 1 1 26 26 SER HA H 26 4.541 4.541 4.279 0.262 18227 5097 1 15 . 1 1 26 26 SER C C 26 175.212 175.212 176.312 -1.100 18227 5098 1 15 . 1 1 26 26 SER CA C 26 59.813 59.813 60.659 -0.846 18227 5099 1 15 . 1 1 26 26 SER CB C 26 63.672 63.672 64.225 -0.553 18227 5100 1 15 . 1 1 26 26 SER H H 26 8.088 8.088 7.915 0.173 18227 5101 1 15 . 1 1 27 27 SER N N 27 116.456 116.456 118.226 -1.770 18227 5102 1 15 . 1 1 27 27 SER HA H 27 4.534 4.534 4.439 0.095 18227 5103 1 15 . 1 1 27 27 SER C C 27 175.216 175.216 176.111 -0.895 18227 5104 1 15 . 1 1 27 27 SER CA C 27 60.042 60.042 59.751 0.291 18227 5105 1 15 . 1 1 27 27 SER CB C 27 63.782 63.782 62.857 0.925 18227 5106 1 15 . 1 1 27 27 SER H H 27 8.025 8.025 8.572 -0.547 18227 5107 1 15 . 1 1 28 28 GLY N N 28 108.769 108.769 108.675 0.094 18227 5108 1 15 . 1 1 28 28 GLY C C 28 174.198 174.198 174.019 0.179 18227 5109 1 15 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.848 1.027 18227 5110 1 15 . 1 1 28 28 GLY H H 28 8.051 8.051 7.789 0.262 18227 5111 1 15 . 1 1 29 29 ALA N N 29 121.719 121.719 122.581 -0.862 18227 5112 1 15 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.449 -0.038 18227 5113 1 15 . 1 1 29 29 ALA C C 29 177.554 177.554 177.453 0.101 18227 5114 1 15 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.832 0.253 18227 5115 1 15 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.930 -0.156 18227 5116 1 15 . 1 1 29 29 ALA H H 29 7.749 7.749 7.636 0.113 18227 5117 1 15 . 1 1 30 30 LEU N N 30 118.220 118.220 112.778 5.442 18227 5118 1 15 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.686 -0.140 18227 5119 1 15 . 1 1 30 30 LEU C C 30 176.978 176.978 177.349 -0.371 18227 5120 1 15 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.695 -0.028 18227 5121 1 15 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.890 -0.134 18227 5122 1 15 . 1 1 30 30 LEU H H 30 7.660 7.660 7.331 0.329 18227 5123 1 15 . 1 1 31 31 ILE N N 31 118.934 118.934 122.577 -3.643 18227 5124 1 15 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.176 0.209 18227 5125 1 15 . 1 1 31 31 ILE C C 31 175.025 175.025 174.832 0.193 18227 5126 1 15 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.065 -3.389 18227 5127 1 15 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.007 1.564 18227 5128 1 15 . 1 1 31 31 ILE H H 31 7.446 7.446 7.877 -0.431 18227 5129 1 15 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.263 0.216 18227 5130 1 15 . 1 1 32 32 PRO C C 32 177.601 177.601 178.166 -0.565 18227 5131 1 15 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.066 -0.746 18227 5132 1 15 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.785 0.450 18227 5133 1 15 . 1 1 33 33 ALA N N 33 118.822 118.822 120.621 -1.799 18227 5134 1 15 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.129 0.238 18227 5135 1 15 . 1 1 33 33 ALA C C 33 179.269 179.269 180.055 -0.786 18227 5136 1 15 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.989 -0.172 18227 5137 1 15 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.309 -0.417 18227 5138 1 15 . 1 1 33 33 ALA H H 33 7.293 7.293 8.159 -0.866 18227 5139 1 15 . 1 1 34 34 ILE N N 34 116.953 116.953 119.103 -2.150 18227 5140 1 15 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.617 0.473 18227 5141 1 15 . 1 1 34 34 ILE C C 34 177.061 177.061 177.751 -0.690 18227 5142 1 15 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.126 -1.141 18227 5143 1 15 . 1 1 34 34 ILE CB C 34 38.119 38.119 38.001 0.118 18227 5144 1 15 . 1 1 34 34 ILE H H 34 7.766 7.766 7.770 -0.004 18227 5145 1 15 . 1 1 35 35 TYR N N 35 118.432 118.432 120.143 -1.711 18227 5146 1 15 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.909 0.459 18227 5147 1 15 . 1 1 35 35 TYR C C 35 178.052 178.052 178.084 -0.032 18227 5148 1 15 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.330 -1.208 18227 5149 1 15 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.406 -0.470 18227 5150 1 15 . 1 1 35 35 TYR H H 35 7.988 7.988 8.007 -0.019 18227 5151 1 15 . 1 1 36 36 MET N N 36 117.042 117.042 116.819 0.223 18227 5152 1 15 . 1 1 36 36 MET HA H 36 4.534 4.534 4.117 0.417 18227 5153 1 15 . 1 1 36 36 MET C C 36 177.734 177.734 178.567 -0.833 18227 5154 1 15 . 1 1 36 36 MET CA C 36 58.272 58.272 59.554 -1.282 18227 5155 1 15 . 1 1 36 36 MET CB C 36 31.979 31.979 32.112 -0.133 18227 5156 1 15 . 1 1 36 36 MET H H 36 7.934 7.934 8.227 -0.293 18227 5157 1 15 . 1 1 37 37 LEU N N 37 120.539 120.539 120.187 0.352 18227 5158 1 15 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.036 0.307 18227 5159 1 15 . 1 1 37 37 LEU C C 37 178.746 178.746 179.480 -0.734 18227 5160 1 15 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.577 0.135 18227 5161 1 15 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.784 0.254 18227 5162 1 15 . 1 1 37 37 LEU H H 37 8.013 8.013 7.701 0.312 18227 5163 1 15 . 1 1 38 38 VAL N N 38 117.729 117.729 117.203 0.526 18227 5164 1 15 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.684 0.093 18227 5165 1 15 . 1 1 38 38 VAL C C 38 179.009 179.009 177.460 1.549 18227 5166 1 15 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.580 1.619 18227 5167 1 15 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.582 0.083 18227 5168 1 15 . 1 1 38 38 VAL H H 38 8.360 8.360 8.646 -0.286 18227 5169 1 15 . 1 1 39 39 PHE N N 39 120.549 120.549 121.030 -0.481 18227 5170 1 15 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.578 -0.153 18227 5171 1 15 . 1 1 39 39 PHE C C 39 179.129 179.129 176.037 3.092 18227 5172 1 15 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.675 1.847 18227 5173 1 15 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.256 -2.153 18227 5174 1 15 . 1 1 39 39 PHE H H 39 8.225 8.225 8.045 0.180 18227 5175 1 15 . 1 1 40 40 LEU N N 40 122.778 122.778 117.033 5.745 18227 5176 1 15 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.275 -0.108 18227 5177 1 15 . 1 1 40 40 LEU C C 40 180.673 180.673 177.695 2.978 18227 5178 1 15 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.554 1.084 18227 5179 1 15 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.153 0.011 18227 5180 1 15 . 1 1 40 40 LEU H H 40 8.874 8.874 8.606 0.268 18227 5181 1 15 . 1 1 41 41 LEU N N 41 122.144 122.144 120.894 1.250 18227 5182 1 15 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.303 -0.067 18227 5183 1 15 . 1 1 41 41 LEU C C 41 180.709 180.709 178.915 1.794 18227 5184 1 15 . 1 1 41 41 LEU CA C 41 58.470 58.470 57.016 1.454 18227 5185 1 15 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.523 -0.745 18227 5186 1 15 . 1 1 41 41 LEU H H 41 9.193 9.193 8.558 0.635 18227 5187 1 15 . 1 1 42 42 GLY N N 42 107.124 107.124 106.459 0.665 18227 5188 1 15 . 1 1 42 42 GLY C C 42 176.537 176.537 175.213 1.324 18227 5189 1 15 . 1 1 42 42 GLY CA C 42 46.733 46.733 47.403 -0.670 18227 5190 1 15 . 1 1 42 42 GLY H H 42 8.755 8.755 8.111 0.644 18227 5191 1 15 . 1 1 43 43 THR N N 43 113.411 113.411 116.434 -3.023 18227 5192 1 15 . 1 1 43 43 THR HA H 43 4.299 4.299 4.005 0.294 18227 5193 1 15 . 1 1 43 43 THR C C 43 176.797 176.797 175.205 1.592 18227 5194 1 15 . 1 1 43 43 THR CA C 43 64.990 64.990 65.046 -0.056 18227 5195 1 15 . 1 1 43 43 THR CB C 43 69.731 69.731 68.189 1.542 18227 5196 1 15 . 1 1 43 43 THR H H 43 8.179 8.179 7.776 0.403 18227 5197 1 15 . 1 1 44 44 THR N N 44 114.667 114.667 115.913 -1.246 18227 5198 1 15 . 1 1 44 44 THR HA H 44 4.366 4.366 4.371 -0.005 18227 5199 1 15 . 1 1 44 44 THR C C 44 176.375 176.375 175.167 1.208 18227 5200 1 15 . 1 1 44 44 THR CA C 44 64.833 64.833 63.527 1.306 18227 5201 1 15 . 1 1 44 44 THR CB C 44 69.988 69.988 70.024 -0.036 18227 5202 1 15 . 1 1 44 44 THR H H 44 8.026 8.026 7.071 0.955 18227 5203 1 15 . 1 1 45 45 GLY N N 45 109.336 109.336 108.772 0.564 18227 5204 1 15 . 1 1 45 45 GLY C C 45 174.924 174.924 174.872 0.052 18227 5205 1 15 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.681 1.046 18227 5206 1 15 . 1 1 45 45 GLY H H 45 8.261 8.261 7.973 0.288 18227 5207 1 15 . 1 1 46 46 ASN N N 46 117.547 117.547 120.671 -3.124 18227 5208 1 15 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.772 -0.033 18227 5209 1 15 . 1 1 46 46 ASN C C 46 176.815 176.815 177.278 -0.463 18227 5210 1 15 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.468 -0.118 18227 5211 1 15 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.741 -1.248 18227 5212 1 15 . 1 1 46 46 ASN H H 46 8.083 8.083 8.578 -0.495 18227 5213 1 15 . 1 1 47 47 GLY N N 47 106.960 106.960 109.533 -2.573 18227 5214 1 15 . 1 1 47 47 GLY C C 47 175.001 175.001 176.245 -1.244 18227 5215 1 15 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.385 -0.398 18227 5216 1 15 . 1 1 47 47 GLY H H 47 8.318 8.318 7.761 0.557 18227 5217 1 15 . 1 1 48 48 LEU N N 48 120.991 120.991 121.392 -0.401 18227 5218 1 15 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.115 0.374 18227 5219 1 15 . 1 1 48 48 LEU C C 48 180.375 180.375 178.632 1.743 18227 5220 1 15 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.674 0.574 18227 5221 1 15 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.909 0.138 18227 5222 1 15 . 1 1 48 48 LEU H H 48 7.999 7.999 7.641 0.358 18227 5223 1 15 . 1 1 49 49 VAL N N 49 121.040 121.040 118.970 2.070 18227 5224 1 15 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.704 0.129 18227 5225 1 15 . 1 1 49 49 VAL C C 49 178.016 178.016 177.929 0.087 18227 5226 1 15 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.787 0.430 18227 5227 1 15 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.599 0.341 18227 5228 1 15 . 1 1 49 49 VAL H H 49 7.989 7.989 7.389 0.600 18227 5229 1 15 . 1 1 50 50 LEU N N 50 119.986 119.986 119.054 0.932 18227 5230 1 15 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.882 0.315 18227 5231 1 15 . 1 1 50 50 LEU C C 50 178.823 178.823 179.277 -0.454 18227 5232 1 15 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.755 0.935 18227 5233 1 15 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.086 0.579 18227 5234 1 15 . 1 1 50 50 LEU H H 50 7.926 7.926 8.130 -0.204 18227 5235 1 15 . 1 1 51 51 TRP N N 51 117.842 117.842 120.592 -2.750 18227 5236 1 15 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.329 0.358 18227 5237 1 15 . 1 1 51 51 TRP C C 51 178.729 178.729 177.607 1.122 18227 5238 1 15 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.611 -0.231 18227 5239 1 15 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.775 -0.234 18227 5240 1 15 . 1 1 51 51 TRP H H 51 8.525 8.525 8.121 0.404 18227 5241 1 15 . 1 1 52 52 THR N N 52 114.722 114.722 115.473 -0.751 18227 5242 1 15 . 1 1 52 52 THR HA H 52 4.007 4.007 3.805 0.202 18227 5243 1 15 . 1 1 52 52 THR C C 52 176.228 176.228 177.147 -0.919 18227 5244 1 15 . 1 1 52 52 THR CA C 52 67.517 67.517 67.016 0.501 18227 5245 1 15 . 1 1 52 52 THR CB C 52 69.051 69.051 69.117 -0.066 18227 5246 1 15 . 1 1 52 52 THR H H 52 8.248 8.248 8.460 -0.212 18227 5247 1 15 . 1 1 53 53 VAL N N 53 123.008 123.008 122.290 0.718 18227 5248 1 15 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.730 0.018 18227 5249 1 15 . 1 1 53 53 VAL C C 53 178.474 178.474 177.490 0.984 18227 5250 1 15 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.301 1.154 18227 5251 1 15 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.133 0.707 18227 5252 1 15 . 1 1 53 53 VAL H H 53 8.634 8.634 8.752 -0.118 18227 5253 1 15 . 1 1 54 54 PHE N N 54 119.554 119.554 117.179 2.375 18227 5254 1 15 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.112 0.298 18227 5255 1 15 . 1 1 54 54 PHE C C 54 179.173 179.173 177.450 1.723 18227 5256 1 15 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.911 0.176 18227 5257 1 15 . 1 1 54 54 PHE CB C 54 38.790 38.790 37.995 0.796 18227 5258 1 15 . 1 1 54 54 PHE H H 54 8.860 8.860 7.992 0.868 18227 5259 1 15 . 1 1 55 55 ARG N N 55 118.355 118.355 117.039 1.316 18227 5260 1 15 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.270 -0.150 18227 5261 1 15 . 1 1 55 55 ARG C C 55 178.719 178.719 176.707 2.012 18227 5262 1 15 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.182 1.794 18227 5263 1 15 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.907 -0.829 18227 5264 1 15 . 1 1 55 55 ARG H H 55 8.296 8.296 7.602 0.694 18227 5265 1 15 . 1 1 56 56 LYS N N 56 119.698 119.698 118.981 0.717 18227 5266 1 15 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.287 0.006 18227 5267 1 15 . 1 1 56 56 LYS C C 56 178.742 178.742 177.541 1.201 18227 5268 1 15 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.879 1.172 18227 5269 1 15 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.758 -0.987 18227 5270 1 15 . 1 1 56 56 LYS H H 56 8.377 8.377 8.019 0.358 18227 5271 1 15 . 1 1 57 57 LYS N N 57 119.104 119.104 119.848 -0.744 18227 5272 1 15 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.415 -0.070 18227 5273 1 15 . 1 1 57 57 LYS C C 57 178.311 178.311 178.338 -0.027 18227 5274 1 15 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.754 0.378 18227 5275 1 15 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.636 -0.946 18227 5276 1 15 . 1 1 57 57 LYS H H 57 8.610 8.610 8.536 0.074 18227 5277 1 15 . 1 1 58 58 GLY N N 58 106.684 106.684 108.729 -2.045 18227 5278 1 15 . 1 1 58 58 GLY C C 58 174.451 174.451 175.802 -1.351 18227 5279 1 15 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.548 -0.635 18227 5280 1 15 . 1 1 58 58 GLY H H 58 8.154 8.154 7.607 0.547 18227 5281 1 15 . 1 1 59 59 HIS N N 59 116.995 116.995 119.279 -2.284 18227 5282 1 15 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.348 0.427 18227 5283 1 15 . 1 1 59 59 HIS C C 59 174.529 174.529 175.044 -0.515 18227 5284 1 15 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.191 -2.051 18227 5285 1 15 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.626 -0.999 18227 5286 1 15 . 1 1 59 59 HIS H H 59 8.106 8.106 8.418 -0.312 18227 5287 1 15 . 1 1 60 60 HIS N N 60 117.887 117.887 115.760 2.127 18227 5288 1 15 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.661 0.185 18227 5289 1 15 . 1 1 60 60 HIS C C 60 174.247 174.247 173.625 0.622 18227 5290 1 15 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.426 0.481 18227 5291 1 15 . 1 1 60 60 HIS CB C 60 29.050 29.050 31.184 -2.134 18227 5292 1 15 . 1 1 60 60 HIS H H 60 8.425 8.425 7.687 0.738 18227 5293 1 15 . 1 1 61 61 HIS N N 61 118.329 118.329 117.726 0.603 18227 5294 1 15 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.585 0.288 18227 5295 1 15 . 1 1 61 61 HIS C C 61 174.139 174.139 173.567 0.572 18227 5296 1 15 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.394 -0.600 18227 5297 1 15 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.903 -2.633 18227 5298 1 15 . 1 1 61 61 HIS H H 61 8.573 8.573 7.838 0.735 18227 5299 1 15 . 1 1 62 62 HIS N N 62 118.968 118.968 117.893 1.075 18227 5300 1 15 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.168 0.707 18227 5301 1 15 . 1 1 62 62 HIS C C 62 173.827 173.827 176.329 -2.502 18227 5302 1 15 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.322 -1.554 18227 5303 1 15 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.103 0.165 18227 5304 1 15 . 1 1 62 62 HIS H H 62 8.662 8.662 7.931 0.731 18227 5305 1 15 . 1 1 63 63 HIS N N 63 118.949 118.949 123.047 -4.098 18227 5306 1 15 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.561 0.289 18227 5307 1 15 . 1 1 63 63 HIS C C 63 173.433 173.433 175.380 -1.947 18227 5308 1 15 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.694 1.095 18227 5309 1 15 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.690 1.772 18227 5310 1 15 . 1 1 63 63 HIS H H 63 8.518 8.518 8.528 -0.010 18227 5311 1 16 . 1 1 2 2 GLU N N 2 122.322 122.322 119.893 2.429 18227 5312 1 16 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.230 0.448 18227 5313 1 16 . 1 1 2 2 GLU C C 2 175.160 175.160 175.868 -0.708 18227 5314 1 16 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.567 0.526 18227 5315 1 16 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.393 -1.218 18227 5316 1 16 . 1 1 2 2 GLU H H 2 8.641 8.641 8.121 0.520 18227 5317 1 16 . 1 1 3 3 GLU N N 3 121.391 121.391 117.891 3.500 18227 5318 1 16 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.120 0.510 18227 5319 1 16 . 1 1 3 3 GLU C C 3 176.097 176.097 174.659 1.438 18227 5320 1 16 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.089 -1.002 18227 5321 1 16 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.580 -0.396 18227 5322 1 16 . 1 1 3 3 GLU H H 3 8.448 8.448 8.848 -0.400 18227 5323 1 16 . 1 1 4 4 GLY N N 4 109.002 109.002 111.748 -2.746 18227 5324 1 16 . 1 1 4 4 GLY C C 4 174.407 174.407 172.980 1.427 18227 5325 1 16 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.650 -0.205 18227 5326 1 16 . 1 1 4 4 GLY H H 4 8.333 8.333 8.333 0.000 18227 5327 1 16 . 1 1 5 5 GLY N N 5 107.419 107.419 109.146 -1.727 18227 5328 1 16 . 1 1 5 5 GLY C C 5 173.914 173.914 173.332 0.582 18227 5329 1 16 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.743 -0.253 18227 5330 1 16 . 1 1 5 5 GLY H H 5 8.120 8.120 8.539 -0.419 18227 5331 1 16 . 1 1 6 6 ASP N N 6 117.918 117.918 121.296 -3.378 18227 5332 1 16 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.714 0.192 18227 5333 1 16 . 1 1 6 6 ASP C C 6 175.114 175.114 175.258 -0.144 18227 5334 1 16 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.389 -1.270 18227 5335 1 16 . 1 1 6 6 ASP CB C 6 37.959 37.959 42.054 -4.095 18227 5336 1 16 . 1 1 6 6 ASP H H 6 8.204 8.204 8.124 0.080 18227 5337 1 16 . 1 1 7 7 PHE N N 7 119.801 119.801 118.799 1.002 18227 5338 1 16 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.280 0.430 18227 5339 1 16 . 1 1 7 7 PHE C C 7 175.789 175.789 174.285 1.504 18227 5340 1 16 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.490 0.186 18227 5341 1 16 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.737 0.432 18227 5342 1 16 . 1 1 7 7 PHE H H 7 8.072 8.072 8.120 -0.048 18227 5343 1 16 . 1 1 8 8 ASP N N 8 117.963 117.963 123.274 -5.311 18227 5344 1 16 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.800 -0.023 18227 5345 1 16 . 1 1 8 8 ASP C C 8 174.919 174.919 175.822 -0.903 18227 5346 1 16 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.099 0.482 18227 5347 1 16 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.730 -4.007 18227 5348 1 16 . 1 1 8 8 ASP H H 8 8.184 8.184 8.398 -0.214 18227 5349 1 16 . 1 1 9 9 ASN N N 9 117.736 117.736 118.293 -0.557 18227 5350 1 16 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.208 0.582 18227 5351 1 16 . 1 1 9 9 ASN C C 9 174.974 174.974 174.442 0.532 18227 5352 1 16 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.183 -1.447 18227 5353 1 16 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.930 0.640 18227 5354 1 16 . 1 1 9 9 ASN H H 9 8.080 8.080 8.392 -0.312 18227 5355 1 16 . 1 1 10 10 TYR N N 10 119.580 119.580 120.419 -0.839 18227 5356 1 16 . 1 1 10 10 TYR HA H 10 4.626 4.626 3.868 0.758 18227 5357 1 16 . 1 1 10 10 TYR C C 10 175.935 175.935 175.806 0.129 18227 5358 1 16 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.855 -1.076 18227 5359 1 16 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.019 0.495 18227 5360 1 16 . 1 1 10 10 TYR H H 10 7.869 7.869 7.902 -0.033 18227 5361 1 16 . 1 1 11 11 TYR N N 11 120.254 120.254 115.264 4.990 18227 5362 1 16 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.107 0.512 18227 5363 1 16 . 1 1 11 11 TYR C C 11 176.666 176.666 175.491 1.175 18227 5364 1 16 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.542 0.314 18227 5365 1 16 . 1 1 11 11 TYR CB C 11 38.488 38.488 35.384 3.104 18227 5366 1 16 . 1 1 11 11 TYR H H 11 7.906 7.906 8.300 -0.394 18227 5367 1 16 . 1 1 12 12 GLY N N 12 108.226 108.226 105.078 3.148 18227 5368 1 16 . 1 1 12 12 GLY C C 12 174.314 174.314 173.377 0.937 18227 5369 1 16 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.697 0.083 18227 5370 1 16 . 1 1 12 12 GLY H H 12 7.817 7.817 7.768 0.049 18227 5371 1 16 . 1 1 13 13 ALA N N 13 122.970 122.970 122.189 0.781 18227 5372 1 16 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.261 0.209 18227 5373 1 16 . 1 1 13 13 ALA C C 13 178.137 178.137 177.037 1.100 18227 5374 1 16 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.276 0.174 18227 5375 1 16 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.907 -1.224 18227 5376 1 16 . 1 1 13 13 ALA H H 13 7.913 7.913 8.269 -0.356 18227 5377 1 16 . 1 1 14 14 ASP N N 14 116.374 116.374 117.668 -1.294 18227 5378 1 16 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.696 0.179 18227 5379 1 16 . 1 1 14 14 ASP C C 14 175.450 175.450 177.707 -2.257 18227 5380 1 16 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.867 -1.227 18227 5381 1 16 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.848 -2.986 18227 5382 1 16 . 1 1 14 14 ASP H H 14 8.348 8.348 8.127 0.221 18227 5383 1 16 . 1 1 15 15 ASN N N 15 118.423 118.423 118.844 -0.421 18227 5384 1 16 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.330 0.540 18227 5385 1 16 . 1 1 15 15 ASN C C 15 176.054 176.054 176.675 -0.621 18227 5386 1 16 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.284 -1.856 18227 5387 1 16 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.619 0.063 18227 5388 1 16 . 1 1 15 15 ASN H H 15 8.272 8.272 8.776 -0.504 18227 5389 1 16 . 1 1 16 16 GLN N N 16 120.129 120.129 116.660 3.469 18227 5390 1 16 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.209 0.207 18227 5391 1 16 . 1 1 16 16 GLN C C 16 177.337 177.337 177.337 0.000 18227 5392 1 16 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.267 -0.011 18227 5393 1 16 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.683 0.101 18227 5394 1 16 . 1 1 16 16 GLN H H 16 8.481 8.481 8.302 0.179 18227 5395 1 16 . 1 1 17 17 SER N N 17 115.051 115.051 116.207 -1.156 18227 5396 1 16 . 1 1 17 17 SER HA H 17 4.505 4.505 4.311 0.194 18227 5397 1 16 . 1 1 17 17 SER C C 17 175.596 175.596 176.675 -1.079 18227 5398 1 16 . 1 1 17 17 SER CA C 17 60.767 60.767 61.330 -0.563 18227 5399 1 16 . 1 1 17 17 SER CB C 17 63.325 63.325 63.874 -0.549 18227 5400 1 16 . 1 1 17 17 SER H H 17 8.380 8.380 8.308 0.072 18227 5401 1 16 . 1 1 18 18 GLU N N 18 120.901 120.901 122.787 -1.886 18227 5402 1 16 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.050 0.409 18227 5403 1 16 . 1 1 18 18 GLU C C 18 177.867 177.867 178.779 -0.912 18227 5404 1 16 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.874 -1.651 18227 5405 1 16 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.933 -0.868 18227 5406 1 16 . 1 1 18 18 GLU H H 18 8.233 8.233 8.169 0.064 18227 5407 1 16 . 1 1 19 19 CYS N N 19 118.899 118.899 116.341 2.558 18227 5408 1 16 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.270 0.206 18227 5409 1 16 . 1 1 19 19 CYS C C 19 175.896 175.896 176.620 -0.724 18227 5410 1 16 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.339 -1.077 18227 5411 1 16 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.998 -0.939 18227 5412 1 16 . 1 1 19 19 CYS H H 19 8.245 8.245 8.138 0.107 18227 5413 1 16 . 1 1 20 20 GLU N N 20 120.324 120.324 119.547 0.777 18227 5414 1 16 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.329 -0.002 18227 5415 1 16 . 1 1 20 20 GLU C C 20 177.163 177.163 177.913 -0.750 18227 5416 1 16 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.508 0.864 18227 5417 1 16 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.650 -1.606 18227 5418 1 16 . 1 1 20 20 GLU H H 20 8.299 8.299 8.543 -0.244 18227 5419 1 16 . 1 1 21 21 TYR N N 21 118.601 118.601 122.274 -3.673 18227 5420 1 16 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.273 0.332 18227 5421 1 16 . 1 1 21 21 TYR C C 21 177.166 177.166 177.263 -0.097 18227 5422 1 16 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.291 -1.885 18227 5423 1 16 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.527 -0.049 18227 5424 1 16 . 1 1 21 21 TYR H H 21 8.165 8.165 8.817 -0.652 18227 5425 1 16 . 1 1 22 22 THR N N 22 112.362 112.362 109.699 2.663 18227 5426 1 16 . 1 1 22 22 THR HA H 22 4.203 4.203 4.065 0.138 18227 5427 1 16 . 1 1 22 22 THR C C 22 176.226 176.226 175.913 0.313 18227 5428 1 16 . 1 1 22 22 THR CA C 22 64.825 64.825 64.832 -0.007 18227 5429 1 16 . 1 1 22 22 THR CB C 22 69.471 69.471 68.581 0.890 18227 5430 1 16 . 1 1 22 22 THR H H 22 8.063 8.063 7.904 0.159 18227 5431 1 16 . 1 1 23 23 ASP N N 23 121.414 121.414 121.491 -0.077 18227 5432 1 16 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.683 0.060 18227 5433 1 16 . 1 1 23 23 ASP C C 23 176.664 176.664 177.590 -0.926 18227 5434 1 16 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.215 -2.056 18227 5435 1 16 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.751 -4.276 18227 5436 1 16 . 1 1 23 23 ASP H H 23 8.355 8.355 7.936 0.419 18227 5437 1 16 . 1 1 24 24 TRP N N 24 121.858 121.858 122.866 -1.008 18227 5438 1 16 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.055 0.585 18227 5439 1 16 . 1 1 24 24 TRP C C 24 178.311 178.311 177.623 0.688 18227 5440 1 16 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.160 -1.516 18227 5441 1 16 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.408 -0.665 18227 5442 1 16 . 1 1 24 24 TRP H H 24 8.363 8.363 8.691 -0.328 18227 5443 1 16 . 1 1 25 25 LYS N N 25 120.099 120.099 117.067 3.032 18227 5444 1 16 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.416 1.660 18227 5445 1 16 . 1 1 25 25 LYS C C 25 177.946 177.946 177.981 -0.035 18227 5446 1 16 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.091 0.043 18227 5447 1 16 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.587 0.683 18227 5448 1 16 . 1 1 25 25 LYS H H 25 8.291 8.291 7.299 0.992 18227 5449 1 16 . 1 1 26 26 SER N N 26 113.558 113.558 113.357 0.201 18227 5450 1 16 . 1 1 26 26 SER HA H 26 4.541 4.541 4.303 0.238 18227 5451 1 16 . 1 1 26 26 SER C C 26 175.212 175.212 175.775 -0.563 18227 5452 1 16 . 1 1 26 26 SER CA C 26 59.813 59.813 60.837 -1.024 18227 5453 1 16 . 1 1 26 26 SER CB C 26 63.672 63.672 64.315 -0.643 18227 5454 1 16 . 1 1 26 26 SER H H 26 8.088 8.088 7.753 0.335 18227 5455 1 16 . 1 1 27 27 SER N N 27 116.456 116.456 117.523 -1.067 18227 5456 1 16 . 1 1 27 27 SER HA H 27 4.534 4.534 4.441 0.093 18227 5457 1 16 . 1 1 27 27 SER C C 27 175.216 175.216 176.098 -0.882 18227 5458 1 16 . 1 1 27 27 SER CA C 27 60.042 60.042 59.362 0.680 18227 5459 1 16 . 1 1 27 27 SER CB C 27 63.782 63.782 63.170 0.612 18227 5460 1 16 . 1 1 27 27 SER H H 27 8.025 8.025 8.496 -0.471 18227 5461 1 16 . 1 1 28 28 GLY N N 28 108.769 108.769 108.963 -0.194 18227 5462 1 16 . 1 1 28 28 GLY C C 28 174.198 174.198 173.864 0.334 18227 5463 1 16 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.805 1.070 18227 5464 1 16 . 1 1 28 28 GLY H H 28 8.051 8.051 7.949 0.102 18227 5465 1 16 . 1 1 29 29 ALA N N 29 121.719 121.719 122.459 -0.740 18227 5466 1 16 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.437 -0.026 18227 5467 1 16 . 1 1 29 29 ALA C C 29 177.554 177.554 177.435 0.119 18227 5468 1 16 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.795 0.290 18227 5469 1 16 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.967 -0.193 18227 5470 1 16 . 1 1 29 29 ALA H H 29 7.749 7.749 7.669 0.080 18227 5471 1 16 . 1 1 30 30 LEU N N 30 118.220 118.220 112.706 5.514 18227 5472 1 16 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.685 -0.139 18227 5473 1 16 . 1 1 30 30 LEU C C 30 176.978 176.978 177.331 -0.353 18227 5474 1 16 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.645 0.022 18227 5475 1 16 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.829 -0.073 18227 5476 1 16 . 1 1 30 30 LEU H H 30 7.660 7.660 7.329 0.331 18227 5477 1 16 . 1 1 31 31 ILE N N 31 118.934 118.934 122.596 -3.662 18227 5478 1 16 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.159 0.226 18227 5479 1 16 . 1 1 31 31 ILE C C 31 175.025 175.025 174.837 0.188 18227 5480 1 16 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.044 -3.368 18227 5481 1 16 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.922 1.649 18227 5482 1 16 . 1 1 31 31 ILE H H 31 7.446 7.446 7.888 -0.442 18227 5483 1 16 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.189 0.290 18227 5484 1 16 . 1 1 32 32 PRO C C 32 177.601 177.601 178.309 -0.708 18227 5485 1 16 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.189 -0.869 18227 5486 1 16 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.805 0.430 18227 5487 1 16 . 1 1 33 33 ALA N N 33 118.822 118.822 120.827 -2.005 18227 5488 1 16 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.079 0.288 18227 5489 1 16 . 1 1 33 33 ALA C C 33 179.269 179.269 180.116 -0.847 18227 5490 1 16 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.063 -0.246 18227 5491 1 16 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.204 -0.312 18227 5492 1 16 . 1 1 33 33 ALA H H 33 7.293 7.293 8.182 -0.889 18227 5493 1 16 . 1 1 34 34 ILE N N 34 116.953 116.953 118.913 -1.960 18227 5494 1 16 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.640 0.450 18227 5495 1 16 . 1 1 34 34 ILE C C 34 177.061 177.061 178.193 -1.132 18227 5496 1 16 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.994 -1.009 18227 5497 1 16 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.112 1.006 18227 5498 1 16 . 1 1 34 34 ILE H H 34 7.766 7.766 7.816 -0.050 18227 5499 1 16 . 1 1 35 35 TYR N N 35 118.432 118.432 118.926 -0.494 18227 5500 1 16 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.017 0.351 18227 5501 1 16 . 1 1 35 35 TYR C C 35 178.052 178.052 178.899 -0.847 18227 5502 1 16 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.248 -1.126 18227 5503 1 16 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.120 -0.184 18227 5504 1 16 . 1 1 35 35 TYR H H 35 7.988 7.988 7.918 0.070 18227 5505 1 16 . 1 1 36 36 MET N N 36 117.042 117.042 118.587 -1.545 18227 5506 1 16 . 1 1 36 36 MET HA H 36 4.534 4.534 4.179 0.355 18227 5507 1 16 . 1 1 36 36 MET C C 36 177.734 177.734 178.742 -1.008 18227 5508 1 16 . 1 1 36 36 MET CA C 36 58.272 58.272 58.457 -0.185 18227 5509 1 16 . 1 1 36 36 MET CB C 36 31.979 31.979 32.156 -0.177 18227 5510 1 16 . 1 1 36 36 MET H H 36 7.934 7.934 8.662 -0.728 18227 5511 1 16 . 1 1 37 37 LEU N N 37 120.539 120.539 119.437 1.102 18227 5512 1 16 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.093 0.250 18227 5513 1 16 . 1 1 37 37 LEU C C 37 178.746 178.746 177.590 1.156 18227 5514 1 16 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.570 1.142 18227 5515 1 16 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.220 -0.182 18227 5516 1 16 . 1 1 37 37 LEU H H 37 8.013 8.013 7.901 0.112 18227 5517 1 16 . 1 1 38 38 VAL N N 38 117.729 117.729 114.991 2.738 18227 5518 1 16 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.079 -0.302 18227 5519 1 16 . 1 1 38 38 VAL C C 38 179.009 179.009 175.449 3.560 18227 5520 1 16 . 1 1 38 38 VAL CA C 38 67.199 67.199 62.804 4.395 18227 5521 1 16 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.767 -0.102 18227 5522 1 16 . 1 1 38 38 VAL H H 38 8.360 8.360 8.103 0.257 18227 5523 1 16 . 1 1 39 39 PHE N N 39 120.549 120.549 118.860 1.689 18227 5524 1 16 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.758 -0.333 18227 5525 1 16 . 1 1 39 39 PHE C C 39 179.129 179.129 175.624 3.505 18227 5526 1 16 . 1 1 39 39 PHE CA C 39 61.522 61.522 58.310 3.212 18227 5527 1 16 . 1 1 39 39 PHE CB C 39 39.103 39.103 42.926 -3.823 18227 5528 1 16 . 1 1 39 39 PHE H H 39 8.225 8.225 8.038 0.187 18227 5529 1 16 . 1 1 40 40 LEU N N 40 122.778 122.778 115.623 7.155 18227 5530 1 16 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.729 -0.562 18227 5531 1 16 . 1 1 40 40 LEU C C 40 180.673 180.673 176.098 4.575 18227 5532 1 16 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.390 3.248 18227 5533 1 16 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.069 0.095 18227 5534 1 16 . 1 1 40 40 LEU H H 40 8.874 8.874 8.227 0.647 18227 5535 1 16 . 1 1 41 41 LEU N N 41 122.144 122.144 119.568 2.576 18227 5536 1 16 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.375 -0.139 18227 5537 1 16 . 1 1 41 41 LEU C C 41 180.709 180.709 178.336 2.373 18227 5538 1 16 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.434 2.036 18227 5539 1 16 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.995 -1.217 18227 5540 1 16 . 1 1 41 41 LEU H H 41 9.193 9.193 7.563 1.630 18227 5541 1 16 . 1 1 42 42 GLY N N 42 107.124 107.124 104.565 2.559 18227 5542 1 16 . 1 1 42 42 GLY C C 42 176.537 176.537 174.436 2.101 18227 5543 1 16 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.261 1.472 18227 5544 1 16 . 1 1 42 42 GLY H H 42 8.755 8.755 8.576 0.179 18227 5545 1 16 . 1 1 43 43 THR N N 43 113.411 113.411 111.688 1.723 18227 5546 1 16 . 1 1 43 43 THR HA H 43 4.299 4.299 4.517 -0.218 18227 5547 1 16 . 1 1 43 43 THR C C 43 176.797 176.797 173.794 3.003 18227 5548 1 16 . 1 1 43 43 THR CA C 43 64.990 64.990 61.218 3.772 18227 5549 1 16 . 1 1 43 43 THR CB C 43 69.731 69.731 68.930 0.801 18227 5550 1 16 . 1 1 43 43 THR H H 43 8.179 8.179 7.743 0.436 18227 5551 1 16 . 1 1 44 44 THR N N 44 114.667 114.667 116.304 -1.637 18227 5552 1 16 . 1 1 44 44 THR HA H 44 4.366 4.366 4.401 -0.035 18227 5553 1 16 . 1 1 44 44 THR C C 44 176.375 176.375 175.253 1.122 18227 5554 1 16 . 1 1 44 44 THR CA C 44 64.833 64.833 64.050 0.783 18227 5555 1 16 . 1 1 44 44 THR CB C 44 69.988 69.988 70.770 -0.782 18227 5556 1 16 . 1 1 44 44 THR H H 44 8.026 8.026 7.801 0.225 18227 5557 1 16 . 1 1 45 45 GLY N N 45 109.336 109.336 108.478 0.858 18227 5558 1 16 . 1 1 45 45 GLY C C 45 174.924 174.924 174.644 0.280 18227 5559 1 16 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.270 1.457 18227 5560 1 16 . 1 1 45 45 GLY H H 45 8.261 8.261 8.322 -0.061 18227 5561 1 16 . 1 1 46 46 ASN N N 46 117.547 117.547 118.921 -1.374 18227 5562 1 16 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.810 -0.071 18227 5563 1 16 . 1 1 46 46 ASN C C 46 176.815 176.815 177.209 -0.394 18227 5564 1 16 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.772 0.578 18227 5565 1 16 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.307 -0.814 18227 5566 1 16 . 1 1 46 46 ASN H H 46 8.083 8.083 8.045 0.038 18227 5567 1 16 . 1 1 47 47 GLY N N 47 106.960 106.960 109.335 -2.375 18227 5568 1 16 . 1 1 47 47 GLY C C 47 175.001 175.001 176.636 -1.635 18227 5569 1 16 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.305 -0.318 18227 5570 1 16 . 1 1 47 47 GLY H H 47 8.318 8.318 8.569 -0.251 18227 5571 1 16 . 1 1 48 48 LEU N N 48 120.991 120.991 121.107 -0.116 18227 5572 1 16 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.146 0.343 18227 5573 1 16 . 1 1 48 48 LEU C C 48 180.375 180.375 178.617 1.758 18227 5574 1 16 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.629 0.619 18227 5575 1 16 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.764 0.284 18227 5576 1 16 . 1 1 48 48 LEU H H 48 7.999 7.999 7.778 0.221 18227 5577 1 16 . 1 1 49 49 VAL N N 49 121.040 121.040 118.704 2.336 18227 5578 1 16 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.722 0.111 18227 5579 1 16 . 1 1 49 49 VAL C C 49 178.016 178.016 178.195 -0.179 18227 5580 1 16 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.916 0.301 18227 5581 1 16 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.464 0.476 18227 5582 1 16 . 1 1 49 49 VAL H H 49 7.989 7.989 7.487 0.502 18227 5583 1 16 . 1 1 50 50 LEU N N 50 119.986 119.986 118.762 1.224 18227 5584 1 16 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.999 0.198 18227 5585 1 16 . 1 1 50 50 LEU C C 50 178.823 178.823 179.652 -0.829 18227 5586 1 16 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.928 0.762 18227 5587 1 16 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.246 0.419 18227 5588 1 16 . 1 1 50 50 LEU H H 50 7.926 7.926 8.254 -0.328 18227 5589 1 16 . 1 1 51 51 TRP N N 51 117.842 117.842 121.465 -3.623 18227 5590 1 16 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.534 0.153 18227 5591 1 16 . 1 1 51 51 TRP C C 51 178.729 178.729 178.414 0.315 18227 5592 1 16 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.147 -0.767 18227 5593 1 16 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.813 -0.272 18227 5594 1 16 . 1 1 51 51 TRP H H 51 8.525 8.525 8.219 0.306 18227 5595 1 16 . 1 1 52 52 THR N N 52 114.722 114.722 117.343 -2.621 18227 5596 1 16 . 1 1 52 52 THR HA H 52 4.007 4.007 3.754 0.253 18227 5597 1 16 . 1 1 52 52 THR C C 52 176.228 176.228 176.987 -0.759 18227 5598 1 16 . 1 1 52 52 THR CA C 52 67.517 67.517 67.088 0.429 18227 5599 1 16 . 1 1 52 52 THR CB C 52 69.051 69.051 68.698 0.353 18227 5600 1 16 . 1 1 52 52 THR H H 52 8.248 8.248 8.777 -0.529 18227 5601 1 16 . 1 1 53 53 VAL N N 53 123.008 123.008 122.405 0.603 18227 5602 1 16 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.682 0.066 18227 5603 1 16 . 1 1 53 53 VAL C C 53 178.474 178.474 176.805 1.669 18227 5604 1 16 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.520 0.935 18227 5605 1 16 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.453 0.387 18227 5606 1 16 . 1 1 53 53 VAL H H 53 8.634 8.634 8.876 -0.242 18227 5607 1 16 . 1 1 54 54 PHE N N 54 119.554 119.554 117.724 1.830 18227 5608 1 16 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.164 0.246 18227 5609 1 16 . 1 1 54 54 PHE C C 54 179.173 179.173 176.738 2.435 18227 5610 1 16 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.427 -0.340 18227 5611 1 16 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.795 -0.005 18227 5612 1 16 . 1 1 54 54 PHE H H 54 8.860 8.860 7.632 1.228 18227 5613 1 16 . 1 1 55 55 ARG N N 55 118.355 118.355 116.135 2.220 18227 5614 1 16 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.297 -0.177 18227 5615 1 16 . 1 1 55 55 ARG C C 55 178.719 178.719 176.198 2.521 18227 5616 1 16 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.800 2.176 18227 5617 1 16 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.516 -0.438 18227 5618 1 16 . 1 1 55 55 ARG H H 55 8.296 8.296 7.478 0.818 18227 5619 1 16 . 1 1 56 56 LYS N N 56 119.698 119.698 117.913 1.785 18227 5620 1 16 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.337 -0.044 18227 5621 1 16 . 1 1 56 56 LYS C C 56 178.742 178.742 176.898 1.844 18227 5622 1 16 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.691 1.360 18227 5623 1 16 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.155 -1.384 18227 5624 1 16 . 1 1 56 56 LYS H H 56 8.377 8.377 8.115 0.262 18227 5625 1 16 . 1 1 57 57 LYS N N 57 119.104 119.104 119.032 0.072 18227 5626 1 16 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.390 -0.045 18227 5627 1 16 . 1 1 57 57 LYS C C 57 178.311 178.311 177.535 0.776 18227 5628 1 16 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.696 0.436 18227 5629 1 16 . 1 1 57 57 LYS CB C 57 32.690 32.690 34.117 -1.427 18227 5630 1 16 . 1 1 57 57 LYS H H 57 8.610 8.610 8.101 0.509 18227 5631 1 16 . 1 1 58 58 GLY N N 58 106.684 106.684 106.332 0.352 18227 5632 1 16 . 1 1 58 58 GLY C C 58 174.451 174.451 175.077 -0.626 18227 5633 1 16 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.501 -0.588 18227 5634 1 16 . 1 1 58 58 GLY H H 58 8.154 8.154 7.646 0.508 18227 5635 1 16 . 1 1 59 59 HIS N N 59 116.995 116.995 118.402 -1.407 18227 5636 1 16 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.317 0.458 18227 5637 1 16 . 1 1 59 59 HIS C C 59 174.529 174.529 175.177 -0.648 18227 5638 1 16 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.205 -1.065 18227 5639 1 16 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.617 -0.990 18227 5640 1 16 . 1 1 59 59 HIS H H 59 8.106 8.106 8.232 -0.126 18227 5641 1 16 . 1 1 60 60 HIS N N 60 117.887 117.887 118.466 -0.579 18227 5642 1 16 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.395 0.451 18227 5643 1 16 . 1 1 60 60 HIS C C 60 174.247 174.247 173.663 0.584 18227 5644 1 16 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.077 1.830 18227 5645 1 16 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.088 -1.038 18227 5646 1 16 . 1 1 60 60 HIS H H 60 8.425 8.425 7.389 1.036 18227 5647 1 16 . 1 1 61 61 HIS N N 61 118.329 118.329 124.257 -5.928 18227 5648 1 16 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.443 0.430 18227 5649 1 16 . 1 1 61 61 HIS C C 61 174.139 174.139 175.049 -0.910 18227 5650 1 16 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.373 -1.579 18227 5651 1 16 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.569 -1.299 18227 5652 1 16 . 1 1 61 61 HIS H H 61 8.573 8.573 8.610 -0.037 18227 5653 1 16 . 1 1 62 62 HIS N N 62 118.968 118.968 119.640 -0.672 18227 5654 1 16 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.396 0.479 18227 5655 1 16 . 1 1 62 62 HIS C C 62 173.827 173.827 176.307 -2.480 18227 5656 1 16 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.984 -2.216 18227 5657 1 16 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.376 -1.108 18227 5658 1 16 . 1 1 62 62 HIS H H 62 8.662 8.662 8.650 0.012 18227 5659 1 16 . 1 1 63 63 HIS N N 63 118.949 118.949 119.347 -0.398 18227 5660 1 16 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.736 0.114 18227 5661 1 16 . 1 1 63 63 HIS C C 63 173.433 173.433 174.858 -1.425 18227 5662 1 16 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.179 -0.390 18227 5663 1 16 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.238 0.224 18227 5664 1 16 . 1 1 63 63 HIS H H 63 8.518 8.518 8.833 -0.315 18227 5665 1 17 . 1 1 2 2 GLU N N 2 122.322 122.322 122.301 0.021 18227 5666 1 17 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.675 0.003 18227 5667 1 17 . 1 1 2 2 GLU C C 2 175.160 175.160 176.656 -1.496 18227 5668 1 17 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.323 -0.230 18227 5669 1 17 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.535 -1.361 18227 5670 1 17 . 1 1 2 2 GLU H H 2 8.641 8.641 8.457 0.184 18227 5671 1 17 . 1 1 3 3 GLU N N 3 121.391 121.391 119.391 2.000 18227 5672 1 17 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.049 0.581 18227 5673 1 17 . 1 1 3 3 GLU C C 3 176.097 176.097 175.697 0.400 18227 5674 1 17 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.017 -0.930 18227 5675 1 17 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.629 -0.445 18227 5676 1 17 . 1 1 3 3 GLU H H 3 8.448 8.448 8.639 -0.191 18227 5677 1 17 . 1 1 4 4 GLY N N 4 109.002 109.002 107.633 1.369 18227 5678 1 17 . 1 1 4 4 GLY C C 4 174.407 174.407 174.527 -0.120 18227 5679 1 17 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.573 -0.128 18227 5680 1 17 . 1 1 4 4 GLY H H 4 8.333 8.333 8.941 -0.608 18227 5681 1 17 . 1 1 5 5 GLY N N 5 107.419 107.419 108.397 -0.978 18227 5682 1 17 . 1 1 5 5 GLY C C 5 173.914 173.914 173.278 0.636 18227 5683 1 17 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.083 0.407 18227 5684 1 17 . 1 1 5 5 GLY H H 5 8.120 8.120 8.328 -0.208 18227 5685 1 17 . 1 1 6 6 ASP N N 6 117.918 117.918 118.529 -0.611 18227 5686 1 17 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.640 0.266 18227 5687 1 17 . 1 1 6 6 ASP C C 6 175.114 175.114 175.006 0.108 18227 5688 1 17 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.722 -0.604 18227 5689 1 17 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.100 -3.141 18227 5690 1 17 . 1 1 6 6 ASP H H 6 8.204 8.204 8.329 -0.125 18227 5691 1 17 . 1 1 7 7 PHE N N 7 119.801 119.801 121.809 -2.008 18227 5692 1 17 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.360 0.350 18227 5693 1 17 . 1 1 7 7 PHE C C 7 175.789 175.789 175.826 -0.037 18227 5694 1 17 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.606 -0.930 18227 5695 1 17 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.951 0.218 18227 5696 1 17 . 1 1 7 7 PHE H H 7 8.072 8.072 8.383 -0.311 18227 5697 1 17 . 1 1 8 8 ASP N N 8 117.963 117.963 124.554 -6.591 18227 5698 1 17 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.700 0.077 18227 5699 1 17 . 1 1 8 8 ASP C C 8 174.919 174.919 176.734 -1.815 18227 5700 1 17 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.520 -0.940 18227 5701 1 17 . 1 1 8 8 ASP CB C 8 37.723 37.723 42.693 -4.970 18227 5702 1 17 . 1 1 8 8 ASP H H 8 8.184 8.184 8.747 -0.563 18227 5703 1 17 . 1 1 9 9 ASN N N 9 117.736 117.736 119.322 -1.586 18227 5704 1 17 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.283 0.507 18227 5705 1 17 . 1 1 9 9 ASN C C 9 174.974 174.974 176.815 -1.841 18227 5706 1 17 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.350 -1.614 18227 5707 1 17 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.427 1.143 18227 5708 1 17 . 1 1 9 9 ASN H H 9 8.080 8.080 8.503 -0.423 18227 5709 1 17 . 1 1 10 10 TYR N N 10 119.580 119.580 124.560 -4.980 18227 5710 1 17 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.502 0.124 18227 5711 1 17 . 1 1 10 10 TYR C C 10 175.935 175.935 174.817 1.118 18227 5712 1 17 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.763 0.016 18227 5713 1 17 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.896 0.618 18227 5714 1 17 . 1 1 10 10 TYR H H 10 7.869 7.869 8.202 -0.333 18227 5715 1 17 . 1 1 11 11 TYR N N 11 120.254 120.254 118.921 1.333 18227 5716 1 17 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.419 0.200 18227 5717 1 17 . 1 1 11 11 TYR C C 11 176.666 176.666 174.618 2.048 18227 5718 1 17 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.265 0.591 18227 5719 1 17 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.924 -1.436 18227 5720 1 17 . 1 1 11 11 TYR H H 11 7.906 7.906 8.040 -0.134 18227 5721 1 17 . 1 1 12 12 GLY N N 12 108.226 108.226 106.776 1.450 18227 5722 1 17 . 1 1 12 12 GLY C C 12 174.314 174.314 173.009 1.305 18227 5723 1 17 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.849 -0.069 18227 5724 1 17 . 1 1 12 12 GLY H H 12 7.817 7.817 7.669 0.148 18227 5725 1 17 . 1 1 13 13 ALA N N 13 122.970 122.970 122.540 0.430 18227 5726 1 17 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.565 -0.095 18227 5727 1 17 . 1 1 13 13 ALA C C 13 178.137 178.137 177.598 0.539 18227 5728 1 17 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.723 0.727 18227 5729 1 17 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.067 -1.385 18227 5730 1 17 . 1 1 13 13 ALA H H 13 7.913 7.913 7.593 0.320 18227 5731 1 17 . 1 1 14 14 ASP N N 14 116.374 116.374 118.284 -1.910 18227 5732 1 17 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.493 0.382 18227 5733 1 17 . 1 1 14 14 ASP C C 14 175.450 175.450 177.483 -2.033 18227 5734 1 17 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.077 -1.437 18227 5735 1 17 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.158 -2.296 18227 5736 1 17 . 1 1 14 14 ASP H H 14 8.348 8.348 8.524 -0.176 18227 5737 1 17 . 1 1 15 15 ASN N N 15 118.423 118.423 116.949 1.474 18227 5738 1 17 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.420 0.450 18227 5739 1 17 . 1 1 15 15 ASN C C 15 176.054 176.054 176.690 -0.636 18227 5740 1 17 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.867 -1.439 18227 5741 1 17 . 1 1 15 15 ASN CB C 15 38.682 38.682 37.632 1.050 18227 5742 1 17 . 1 1 15 15 ASN H H 15 8.272 8.272 8.721 -0.449 18227 5743 1 17 . 1 1 16 16 GLN N N 16 120.129 120.129 115.732 4.397 18227 5744 1 17 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.232 0.184 18227 5745 1 17 . 1 1 16 16 GLN C C 16 177.337 177.337 176.847 0.490 18227 5746 1 17 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.915 0.341 18227 5747 1 17 . 1 1 16 16 GLN CB C 16 28.784 28.784 29.166 -0.382 18227 5748 1 17 . 1 1 16 16 GLN H H 16 8.481 8.481 8.378 0.103 18227 5749 1 17 . 1 1 17 17 SER N N 17 115.051 115.051 117.634 -2.583 18227 5750 1 17 . 1 1 17 17 SER HA H 17 4.505 4.505 4.175 0.330 18227 5751 1 17 . 1 1 17 17 SER C C 17 175.596 175.596 176.431 -0.835 18227 5752 1 17 . 1 1 17 17 SER CA C 17 60.767 60.767 61.661 -0.894 18227 5753 1 17 . 1 1 17 17 SER CB C 17 63.325 63.325 63.169 0.156 18227 5754 1 17 . 1 1 17 17 SER H H 17 8.380 8.380 7.944 0.436 18227 5755 1 17 . 1 1 18 18 GLU N N 18 120.901 120.901 121.366 -0.465 18227 5756 1 17 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.061 0.398 18227 5757 1 17 . 1 1 18 18 GLU C C 18 177.867 177.867 178.851 -0.984 18227 5758 1 17 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.216 -0.993 18227 5759 1 17 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.824 -0.759 18227 5760 1 17 . 1 1 18 18 GLU H H 18 8.233 8.233 8.395 -0.162 18227 5761 1 17 . 1 1 19 19 CYS N N 19 118.899 118.899 116.654 2.245 18227 5762 1 17 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.507 -0.031 18227 5763 1 17 . 1 1 19 19 CYS C C 19 175.896 175.896 176.304 -0.408 18227 5764 1 17 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.392 -0.130 18227 5765 1 17 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.005 0.054 18227 5766 1 17 . 1 1 19 19 CYS H H 19 8.245 8.245 8.093 0.152 18227 5767 1 17 . 1 1 20 20 GLU N N 20 120.324 120.324 119.321 1.003 18227 5768 1 17 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.427 -0.100 18227 5769 1 17 . 1 1 20 20 GLU C C 20 177.163 177.163 178.527 -1.364 18227 5770 1 17 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.877 0.495 18227 5771 1 17 . 1 1 20 20 GLU CB C 20 28.044 28.044 30.095 -2.051 18227 5772 1 17 . 1 1 20 20 GLU H H 20 8.299 8.299 8.435 -0.136 18227 5773 1 17 . 1 1 21 21 TYR N N 21 118.601 118.601 121.776 -3.175 18227 5774 1 17 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.561 0.044 18227 5775 1 17 . 1 1 21 21 TYR C C 21 177.166 177.166 177.266 -0.100 18227 5776 1 17 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.633 -1.228 18227 5777 1 17 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.651 -0.173 18227 5778 1 17 . 1 1 21 21 TYR H H 21 8.165 8.165 8.930 -0.765 18227 5779 1 17 . 1 1 22 22 THR N N 22 112.362 112.362 112.893 -0.531 18227 5780 1 17 . 1 1 22 22 THR HA H 22 4.203 4.203 3.660 0.543 18227 5781 1 17 . 1 1 22 22 THR C C 22 176.226 176.226 175.405 0.821 18227 5782 1 17 . 1 1 22 22 THR CA C 22 64.825 64.825 64.850 -0.025 18227 5783 1 17 . 1 1 22 22 THR CB C 22 69.471 69.471 68.299 1.172 18227 5784 1 17 . 1 1 22 22 THR H H 22 8.063 8.063 7.708 0.355 18227 5785 1 17 . 1 1 23 23 ASP N N 23 121.414 121.414 120.570 0.844 18227 5786 1 17 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.634 0.109 18227 5787 1 17 . 1 1 23 23 ASP C C 23 176.664 176.664 177.497 -0.833 18227 5788 1 17 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.636 -0.477 18227 5789 1 17 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.217 -3.741 18227 5790 1 17 . 1 1 23 23 ASP H H 23 8.355 8.355 7.749 0.606 18227 5791 1 17 . 1 1 24 24 TRP N N 24 121.858 121.858 123.611 -1.753 18227 5792 1 17 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.094 0.546 18227 5793 1 17 . 1 1 24 24 TRP C C 24 178.311 178.311 177.773 0.538 18227 5794 1 17 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.290 -1.646 18227 5795 1 17 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.165 -0.422 18227 5796 1 17 . 1 1 24 24 TRP H H 24 8.363 8.363 8.653 -0.290 18227 5797 1 17 . 1 1 25 25 LYS N N 25 120.099 120.099 115.864 4.235 18227 5798 1 17 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.935 1.141 18227 5799 1 17 . 1 1 25 25 LYS C C 25 177.946 177.946 178.438 -0.492 18227 5800 1 17 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.630 -0.497 18227 5801 1 17 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.384 0.887 18227 5802 1 17 . 1 1 25 25 LYS H H 25 8.291 8.291 7.307 0.984 18227 5803 1 17 . 1 1 26 26 SER N N 26 113.558 113.558 114.064 -0.506 18227 5804 1 17 . 1 1 26 26 SER HA H 26 4.541 4.541 4.362 0.179 18227 5805 1 17 . 1 1 26 26 SER C C 26 175.212 175.212 176.468 -1.256 18227 5806 1 17 . 1 1 26 26 SER CA C 26 59.813 59.813 60.607 -0.794 18227 5807 1 17 . 1 1 26 26 SER CB C 26 63.672 63.672 63.953 -0.281 18227 5808 1 17 . 1 1 26 26 SER H H 26 8.088 8.088 7.769 0.319 18227 5809 1 17 . 1 1 27 27 SER N N 27 116.456 116.456 117.638 -1.182 18227 5810 1 17 . 1 1 27 27 SER HA H 27 4.534 4.534 4.361 0.173 18227 5811 1 17 . 1 1 27 27 SER C C 27 175.216 175.216 175.757 -0.541 18227 5812 1 17 . 1 1 27 27 SER CA C 27 60.042 60.042 60.503 -0.461 18227 5813 1 17 . 1 1 27 27 SER CB C 27 63.782 63.782 63.003 0.779 18227 5814 1 17 . 1 1 27 27 SER H H 27 8.025 8.025 8.686 -0.661 18227 5815 1 17 . 1 1 28 28 GLY N N 28 108.769 108.769 107.555 1.214 18227 5816 1 17 . 1 1 28 28 GLY C C 28 174.198 174.198 174.255 -0.057 18227 5817 1 17 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.936 0.939 18227 5818 1 17 . 1 1 28 28 GLY H H 28 8.051 8.051 7.684 0.367 18227 5819 1 17 . 1 1 29 29 ALA N N 29 121.719 121.719 123.931 -2.212 18227 5820 1 17 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.469 -0.058 18227 5821 1 17 . 1 1 29 29 ALA C C 29 177.554 177.554 176.370 1.184 18227 5822 1 17 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.324 0.761 18227 5823 1 17 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.619 1.155 18227 5824 1 17 . 1 1 29 29 ALA H H 29 7.749 7.749 7.615 0.134 18227 5825 1 17 . 1 1 30 30 LEU N N 30 118.220 118.220 112.167 6.053 18227 5826 1 17 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.501 0.045 18227 5827 1 17 . 1 1 30 30 LEU C C 30 176.978 176.978 177.065 -0.087 18227 5828 1 17 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.966 -0.299 18227 5829 1 17 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.232 0.524 18227 5830 1 17 . 1 1 30 30 LEU H H 30 7.660 7.660 7.290 0.370 18227 5831 1 17 . 1 1 31 31 ILE N N 31 118.934 118.934 122.280 -3.346 18227 5832 1 17 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.156 0.229 18227 5833 1 17 . 1 1 31 31 ILE C C 31 175.025 175.025 174.792 0.233 18227 5834 1 17 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.440 -3.764 18227 5835 1 17 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.101 1.470 18227 5836 1 17 . 1 1 31 31 ILE H H 31 7.446 7.446 7.577 -0.131 18227 5837 1 17 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.253 0.226 18227 5838 1 17 . 1 1 32 32 PRO C C 32 177.601 177.601 177.922 -0.321 18227 5839 1 17 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.949 -0.629 18227 5840 1 17 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.802 0.433 18227 5841 1 17 . 1 1 33 33 ALA N N 33 118.822 118.822 121.853 -3.031 18227 5842 1 17 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.096 0.271 18227 5843 1 17 . 1 1 33 33 ALA C C 33 179.269 179.269 179.780 -0.511 18227 5844 1 17 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.195 -0.378 18227 5845 1 17 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.240 -0.348 18227 5846 1 17 . 1 1 33 33 ALA H H 33 7.293 7.293 7.543 -0.250 18227 5847 1 17 . 1 1 34 34 ILE N N 34 116.953 116.953 118.849 -1.896 18227 5848 1 17 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.694 0.396 18227 5849 1 17 . 1 1 34 34 ILE C C 34 177.061 177.061 178.511 -1.450 18227 5850 1 17 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.910 -0.925 18227 5851 1 17 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.101 1.018 18227 5852 1 17 . 1 1 34 34 ILE H H 34 7.766 7.766 7.977 -0.211 18227 5853 1 17 . 1 1 35 35 TYR N N 35 118.432 118.432 119.654 -1.222 18227 5854 1 17 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.099 0.269 18227 5855 1 17 . 1 1 35 35 TYR C C 35 178.052 178.052 178.544 -0.492 18227 5856 1 17 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.505 -1.383 18227 5857 1 17 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.431 -0.495 18227 5858 1 17 . 1 1 35 35 TYR H H 35 7.988 7.988 7.755 0.233 18227 5859 1 17 . 1 1 36 36 MET N N 36 117.042 117.042 118.191 -1.149 18227 5860 1 17 . 1 1 36 36 MET HA H 36 4.534 4.534 4.216 0.318 18227 5861 1 17 . 1 1 36 36 MET C C 36 177.734 177.734 178.837 -1.103 18227 5862 1 17 . 1 1 36 36 MET CA C 36 58.272 58.272 57.788 0.484 18227 5863 1 17 . 1 1 36 36 MET CB C 36 31.979 31.979 32.117 -0.138 18227 5864 1 17 . 1 1 36 36 MET H H 36 7.934 7.934 8.785 -0.851 18227 5865 1 17 . 1 1 37 37 LEU N N 37 120.539 120.539 120.218 0.321 18227 5866 1 17 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.053 0.290 18227 5867 1 17 . 1 1 37 37 LEU C C 37 178.746 178.746 178.467 0.279 18227 5868 1 17 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.417 0.295 18227 5869 1 17 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.062 -0.024 18227 5870 1 17 . 1 1 37 37 LEU H H 37 8.013 8.013 8.694 -0.681 18227 5871 1 17 . 1 1 38 38 VAL N N 38 117.729 117.729 117.047 0.682 18227 5872 1 17 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.977 -0.200 18227 5873 1 17 . 1 1 38 38 VAL C C 38 179.009 179.009 177.119 1.890 18227 5874 1 17 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.917 2.282 18227 5875 1 17 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.099 -0.434 18227 5876 1 17 . 1 1 38 38 VAL H H 38 8.360 8.360 7.664 0.696 18227 5877 1 17 . 1 1 39 39 PHE N N 39 120.549 120.549 122.527 -1.978 18227 5878 1 17 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.444 -0.019 18227 5879 1 17 . 1 1 39 39 PHE C C 39 179.129 179.129 177.028 2.101 18227 5880 1 17 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.694 -0.172 18227 5881 1 17 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.989 -0.886 18227 5882 1 17 . 1 1 39 39 PHE H H 39 8.225 8.225 7.997 0.228 18227 5883 1 17 . 1 1 40 40 LEU N N 40 122.778 122.778 115.874 6.904 18227 5884 1 17 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.330 -0.163 18227 5885 1 17 . 1 1 40 40 LEU C C 40 180.673 180.673 176.972 3.701 18227 5886 1 17 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.127 1.511 18227 5887 1 17 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.016 1.148 18227 5888 1 17 . 1 1 40 40 LEU H H 40 8.874 8.874 8.334 0.540 18227 5889 1 17 . 1 1 41 41 LEU N N 41 122.144 122.144 119.174 2.970 18227 5890 1 17 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.451 -0.215 18227 5891 1 17 . 1 1 41 41 LEU C C 41 180.709 180.709 178.422 2.287 18227 5892 1 17 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.567 1.903 18227 5893 1 17 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.929 -1.151 18227 5894 1 17 . 1 1 41 41 LEU H H 41 9.193 9.193 7.564 1.629 18227 5895 1 17 . 1 1 42 42 GLY N N 42 107.124 107.124 103.992 3.132 18227 5896 1 17 . 1 1 42 42 GLY C C 42 176.537 176.537 174.451 2.086 18227 5897 1 17 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.587 1.146 18227 5898 1 17 . 1 1 42 42 GLY H H 42 8.755 8.755 7.805 0.950 18227 5899 1 17 . 1 1 43 43 THR N N 43 113.411 113.411 115.270 -1.859 18227 5900 1 17 . 1 1 43 43 THR HA H 43 4.299 4.299 4.497 -0.198 18227 5901 1 17 . 1 1 43 43 THR C C 43 176.797 176.797 174.069 2.728 18227 5902 1 17 . 1 1 43 43 THR CA C 43 64.990 64.990 60.892 4.098 18227 5903 1 17 . 1 1 43 43 THR CB C 43 69.731 69.731 68.957 0.774 18227 5904 1 17 . 1 1 43 43 THR H H 43 8.179 8.179 7.786 0.393 18227 5905 1 17 . 1 1 44 44 THR N N 44 114.667 114.667 116.678 -2.011 18227 5906 1 17 . 1 1 44 44 THR HA H 44 4.366 4.366 4.511 -0.145 18227 5907 1 17 . 1 1 44 44 THR C C 44 176.375 176.375 175.237 1.138 18227 5908 1 17 . 1 1 44 44 THR CA C 44 64.833 64.833 64.334 0.499 18227 5909 1 17 . 1 1 44 44 THR CB C 44 69.988 69.988 70.865 -0.877 18227 5910 1 17 . 1 1 44 44 THR H H 44 8.026 8.026 7.849 0.177 18227 5911 1 17 . 1 1 45 45 GLY N N 45 109.336 109.336 109.651 -0.315 18227 5912 1 17 . 1 1 45 45 GLY C C 45 174.924 174.924 174.978 -0.054 18227 5913 1 17 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.419 1.308 18227 5914 1 17 . 1 1 45 45 GLY H H 45 8.261 8.261 8.324 -0.063 18227 5915 1 17 . 1 1 46 46 ASN N N 46 117.547 117.547 119.109 -1.562 18227 5916 1 17 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.530 0.209 18227 5917 1 17 . 1 1 46 46 ASN C C 46 176.815 176.815 177.163 -0.348 18227 5918 1 17 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.269 0.081 18227 5919 1 17 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.790 0.703 18227 5920 1 17 . 1 1 46 46 ASN H H 46 8.083 8.083 7.952 0.131 18227 5921 1 17 . 1 1 47 47 GLY N N 47 106.960 106.960 108.652 -1.692 18227 5922 1 17 . 1 1 47 47 GLY C C 47 175.001 175.001 175.977 -0.976 18227 5923 1 17 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.714 0.273 18227 5924 1 17 . 1 1 47 47 GLY H H 47 8.318 8.318 8.226 0.092 18227 5925 1 17 . 1 1 48 48 LEU N N 48 120.991 120.991 122.157 -1.166 18227 5926 1 17 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.054 0.435 18227 5927 1 17 . 1 1 48 48 LEU C C 48 180.375 180.375 178.824 1.551 18227 5928 1 17 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.747 0.501 18227 5929 1 17 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.893 0.154 18227 5930 1 17 . 1 1 48 48 LEU H H 48 7.999 7.999 7.599 0.400 18227 5931 1 17 . 1 1 49 49 VAL N N 49 121.040 121.040 119.027 2.013 18227 5932 1 17 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.720 0.113 18227 5933 1 17 . 1 1 49 49 VAL C C 49 178.016 178.016 177.962 0.054 18227 5934 1 17 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.769 0.448 18227 5935 1 17 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.542 0.398 18227 5936 1 17 . 1 1 49 49 VAL H H 49 7.989 7.989 7.463 0.526 18227 5937 1 17 . 1 1 50 50 LEU N N 50 119.986 119.986 119.240 0.746 18227 5938 1 17 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.990 0.207 18227 5939 1 17 . 1 1 50 50 LEU C C 50 178.823 178.823 179.640 -0.817 18227 5940 1 17 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.845 0.845 18227 5941 1 17 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.367 0.298 18227 5942 1 17 . 1 1 50 50 LEU H H 50 7.926 7.926 7.987 -0.061 18227 5943 1 17 . 1 1 51 51 TRP N N 51 117.842 117.842 121.483 -3.641 18227 5944 1 17 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.513 0.174 18227 5945 1 17 . 1 1 51 51 TRP C C 51 178.729 178.729 178.425 0.304 18227 5946 1 17 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.115 -0.735 18227 5947 1 17 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.017 -0.476 18227 5948 1 17 . 1 1 51 51 TRP H H 51 8.525 8.525 8.536 -0.011 18227 5949 1 17 . 1 1 52 52 THR N N 52 114.722 114.722 117.958 -3.236 18227 5950 1 17 . 1 1 52 52 THR HA H 52 4.007 4.007 3.712 0.295 18227 5951 1 17 . 1 1 52 52 THR C C 52 176.228 176.228 176.599 -0.371 18227 5952 1 17 . 1 1 52 52 THR CA C 52 67.517 67.517 67.648 -0.131 18227 5953 1 17 . 1 1 52 52 THR CB C 52 69.051 69.051 69.117 -0.066 18227 5954 1 17 . 1 1 52 52 THR H H 52 8.248 8.248 8.724 -0.476 18227 5955 1 17 . 1 1 53 53 VAL N N 53 123.008 123.008 120.945 2.063 18227 5956 1 17 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.669 0.079 18227 5957 1 17 . 1 1 53 53 VAL C C 53 178.474 178.474 177.326 1.148 18227 5958 1 17 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.304 0.151 18227 5959 1 17 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.395 0.445 18227 5960 1 17 . 1 1 53 53 VAL H H 53 8.634 8.634 8.756 -0.122 18227 5961 1 17 . 1 1 54 54 PHE N N 54 119.554 119.554 118.340 1.214 18227 5962 1 17 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.164 0.246 18227 5963 1 17 . 1 1 54 54 PHE C C 54 179.173 179.173 176.902 2.271 18227 5964 1 17 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.526 -0.439 18227 5965 1 17 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.613 0.177 18227 5966 1 17 . 1 1 54 54 PHE H H 54 8.860 8.860 7.700 1.160 18227 5967 1 17 . 1 1 55 55 ARG N N 55 118.355 118.355 117.079 1.276 18227 5968 1 17 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.261 -0.141 18227 5969 1 17 . 1 1 55 55 ARG C C 55 178.719 178.719 176.836 1.883 18227 5970 1 17 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.264 1.712 18227 5971 1 17 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.825 -0.747 18227 5972 1 17 . 1 1 55 55 ARG H H 55 8.296 8.296 7.588 0.708 18227 5973 1 17 . 1 1 56 56 LYS N N 56 119.698 119.698 119.519 0.179 18227 5974 1 17 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.422 -0.129 18227 5975 1 17 . 1 1 56 56 LYS C C 56 178.742 178.742 177.261 1.481 18227 5976 1 17 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.454 0.597 18227 5977 1 17 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.438 -0.667 18227 5978 1 17 . 1 1 56 56 LYS H H 56 8.377 8.377 8.109 0.268 18227 5979 1 17 . 1 1 57 57 LYS N N 57 119.104 119.104 120.045 -0.941 18227 5980 1 17 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.402 -0.057 18227 5981 1 17 . 1 1 57 57 LYS C C 57 178.311 178.311 178.399 -0.088 18227 5982 1 17 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.736 0.396 18227 5983 1 17 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.416 -0.726 18227 5984 1 17 . 1 1 57 57 LYS H H 57 8.610 8.610 8.430 0.180 18227 5985 1 17 . 1 1 58 58 GLY N N 58 106.684 106.684 107.470 -0.786 18227 5986 1 17 . 1 1 58 58 GLY C C 58 174.451 174.451 174.742 -0.291 18227 5987 1 17 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.404 -0.492 18227 5988 1 17 . 1 1 58 58 GLY H H 58 8.154 8.154 7.570 0.584 18227 5989 1 17 . 1 1 59 59 HIS N N 59 116.995 116.995 119.994 -2.999 18227 5990 1 17 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.306 0.469 18227 5991 1 17 . 1 1 59 59 HIS C C 59 174.529 174.529 176.867 -2.338 18227 5992 1 17 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.263 -2.123 18227 5993 1 17 . 1 1 59 59 HIS CB C 59 28.627 28.627 30.048 -1.421 18227 5994 1 17 . 1 1 59 59 HIS H H 59 8.106 8.106 8.234 -0.128 18227 5995 1 17 . 1 1 60 60 HIS N N 60 117.887 117.887 116.707 1.180 18227 5996 1 17 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.084 0.762 18227 5997 1 17 . 1 1 60 60 HIS C C 60 174.247 174.247 176.752 -2.505 18227 5998 1 17 . 1 1 60 60 HIS CA C 60 55.907 55.907 59.360 -3.453 18227 5999 1 17 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.184 -1.134 18227 6000 1 17 . 1 1 60 60 HIS H H 60 8.425 8.425 8.222 0.203 18227 6001 1 17 . 1 1 61 61 HIS N N 61 118.329 118.329 115.685 2.644 18227 6002 1 17 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.112 0.761 18227 6003 1 17 . 1 1 61 61 HIS C C 61 174.139 174.139 175.698 -1.559 18227 6004 1 17 . 1 1 61 61 HIS CA C 61 55.794 55.794 58.442 -2.648 18227 6005 1 17 . 1 1 61 61 HIS CB C 61 29.270 29.270 28.997 0.273 18227 6006 1 17 . 1 1 61 61 HIS H H 61 8.573 8.573 8.463 0.110 18227 6007 1 17 . 1 1 62 62 HIS N N 62 118.968 118.968 122.643 -3.675 18227 6008 1 17 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.376 0.499 18227 6009 1 17 . 1 1 62 62 HIS C C 62 173.827 173.827 175.180 -1.353 18227 6010 1 17 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.226 -0.458 18227 6011 1 17 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.957 0.311 18227 6012 1 17 . 1 1 62 62 HIS H H 62 8.662 8.662 8.701 -0.039 18227 6013 1 17 . 1 1 63 63 HIS N N 63 118.949 118.949 123.051 -4.102 18227 6014 1 17 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.071 0.779 18227 6015 1 17 . 1 1 63 63 HIS C C 63 173.433 173.433 173.865 -0.432 18227 6016 1 17 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.709 -0.920 18227 6017 1 17 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.126 1.336 18227 6018 1 17 . 1 1 63 63 HIS H H 63 8.518 8.518 8.630 -0.112 18227 6019 1 18 . 1 1 2 2 GLU N N 2 122.322 122.322 122.667 -0.345 18227 6020 1 18 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.611 0.067 18227 6021 1 18 . 1 1 2 2 GLU C C 2 175.160 175.160 175.798 -0.638 18227 6022 1 18 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.306 -0.213 18227 6023 1 18 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.922 -0.747 18227 6024 1 18 . 1 1 2 2 GLU H H 2 8.641 8.641 8.605 0.036 18227 6025 1 18 . 1 1 3 3 GLU N N 3 121.391 121.391 120.644 0.747 18227 6026 1 18 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.598 0.032 18227 6027 1 18 . 1 1 3 3 GLU C C 3 176.097 176.097 175.477 0.620 18227 6028 1 18 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.041 0.046 18227 6029 1 18 . 1 1 3 3 GLU CB C 3 29.184 29.184 31.250 -2.066 18227 6030 1 18 . 1 1 3 3 GLU H H 3 8.448 8.448 8.446 0.002 18227 6031 1 18 . 1 1 4 4 GLY N N 4 109.002 109.002 108.863 0.139 18227 6032 1 18 . 1 1 4 4 GLY C C 4 174.407 174.407 173.165 1.242 18227 6033 1 18 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.973 0.472 18227 6034 1 18 . 1 1 4 4 GLY H H 4 8.333 8.333 8.479 -0.146 18227 6035 1 18 . 1 1 5 5 GLY N N 5 107.419 107.419 109.272 -1.853 18227 6036 1 18 . 1 1 5 5 GLY C C 5 173.914 173.914 173.406 0.508 18227 6037 1 18 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.396 0.094 18227 6038 1 18 . 1 1 5 5 GLY H H 5 8.120 8.120 8.740 -0.620 18227 6039 1 18 . 1 1 6 6 ASP N N 6 117.918 117.918 118.804 -0.886 18227 6040 1 18 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.676 0.230 18227 6041 1 18 . 1 1 6 6 ASP C C 6 175.114 175.114 174.753 0.361 18227 6042 1 18 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.141 -0.021 18227 6043 1 18 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.658 -2.699 18227 6044 1 18 . 1 1 6 6 ASP H H 6 8.204 8.204 8.199 0.005 18227 6045 1 18 . 1 1 7 7 PHE N N 7 119.801 119.801 120.426 -0.625 18227 6046 1 18 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.293 0.417 18227 6047 1 18 . 1 1 7 7 PHE C C 7 175.789 175.789 177.164 -1.375 18227 6048 1 18 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.397 -0.721 18227 6049 1 18 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.319 -1.150 18227 6050 1 18 . 1 1 7 7 PHE H H 7 8.072 8.072 8.116 -0.044 18227 6051 1 18 . 1 1 8 8 ASP N N 8 117.963 117.963 119.887 -1.924 18227 6052 1 18 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.342 0.435 18227 6053 1 18 . 1 1 8 8 ASP C C 8 174.919 174.919 177.608 -2.689 18227 6054 1 18 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.874 -2.295 18227 6055 1 18 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.363 -2.640 18227 6056 1 18 . 1 1 8 8 ASP H H 8 8.184 8.184 8.812 -0.628 18227 6057 1 18 . 1 1 9 9 ASN N N 9 117.736 117.736 118.067 -0.331 18227 6058 1 18 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.444 0.346 18227 6059 1 18 . 1 1 9 9 ASN C C 9 174.974 174.974 175.948 -0.974 18227 6060 1 18 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.109 -1.373 18227 6061 1 18 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.441 0.129 18227 6062 1 18 . 1 1 9 9 ASN H H 9 8.080 8.080 8.348 -0.268 18227 6063 1 18 . 1 1 10 10 TYR N N 10 119.580 119.580 122.709 -3.129 18227 6064 1 18 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.283 0.343 18227 6065 1 18 . 1 1 10 10 TYR C C 10 175.935 175.935 175.196 0.739 18227 6066 1 18 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.249 0.530 18227 6067 1 18 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.414 2.100 18227 6068 1 18 . 1 1 10 10 TYR H H 10 7.869 7.869 7.733 0.136 18227 6069 1 18 . 1 1 11 11 TYR N N 11 120.254 120.254 124.019 -3.765 18227 6070 1 18 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.045 0.574 18227 6071 1 18 . 1 1 11 11 TYR C C 11 176.666 176.666 175.375 1.291 18227 6072 1 18 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.226 -0.370 18227 6073 1 18 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.305 2.183 18227 6074 1 18 . 1 1 11 11 TYR H H 11 7.906 7.906 8.961 -1.055 18227 6075 1 18 . 1 1 12 12 GLY N N 12 108.226 108.226 105.083 3.143 18227 6076 1 18 . 1 1 12 12 GLY C C 12 174.314 174.314 173.619 0.695 18227 6077 1 18 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.743 0.037 18227 6078 1 18 . 1 1 12 12 GLY H H 12 7.817 7.817 8.075 -0.258 18227 6079 1 18 . 1 1 13 13 ALA N N 13 122.970 122.970 122.380 0.590 18227 6080 1 18 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.743 -0.273 18227 6081 1 18 . 1 1 13 13 ALA C C 13 178.137 178.137 177.595 0.542 18227 6082 1 18 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.758 0.692 18227 6083 1 18 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.214 -1.531 18227 6084 1 18 . 1 1 13 13 ALA H H 13 7.913 7.913 7.969 -0.056 18227 6085 1 18 . 1 1 14 14 ASP N N 14 116.374 116.374 119.856 -3.482 18227 6086 1 18 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.503 0.372 18227 6087 1 18 . 1 1 14 14 ASP C C 14 175.450 175.450 177.693 -2.243 18227 6088 1 18 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.852 -3.212 18227 6089 1 18 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.549 -2.687 18227 6090 1 18 . 1 1 14 14 ASP H H 14 8.348 8.348 8.110 0.238 18227 6091 1 18 . 1 1 15 15 ASN N N 15 118.423 118.423 117.452 0.971 18227 6092 1 18 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.496 0.374 18227 6093 1 18 . 1 1 15 15 ASN C C 15 176.054 176.054 176.099 -0.045 18227 6094 1 18 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.612 -1.184 18227 6095 1 18 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.220 0.462 18227 6096 1 18 . 1 1 15 15 ASN H H 15 8.272 8.272 8.935 -0.663 18227 6097 1 18 . 1 1 16 16 GLN N N 16 120.129 120.129 114.960 5.169 18227 6098 1 18 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.352 0.064 18227 6099 1 18 . 1 1 16 16 GLN C C 16 177.337 177.337 176.210 1.127 18227 6100 1 18 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.955 1.301 18227 6101 1 18 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.931 -0.147 18227 6102 1 18 . 1 1 16 16 GLN H H 16 8.481 8.481 8.221 0.260 18227 6103 1 18 . 1 1 17 17 SER N N 17 115.051 115.051 116.436 -1.385 18227 6104 1 18 . 1 1 17 17 SER HA H 17 4.505 4.505 4.340 0.165 18227 6105 1 18 . 1 1 17 17 SER C C 17 175.596 175.596 176.575 -0.979 18227 6106 1 18 . 1 1 17 17 SER CA C 17 60.767 60.767 60.548 0.219 18227 6107 1 18 . 1 1 17 17 SER CB C 17 63.325 63.325 64.298 -0.973 18227 6108 1 18 . 1 1 17 17 SER H H 17 8.380 8.380 7.602 0.778 18227 6109 1 18 . 1 1 18 18 GLU N N 18 120.901 120.901 121.130 -0.229 18227 6110 1 18 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.021 0.438 18227 6111 1 18 . 1 1 18 18 GLU C C 18 177.867 177.867 178.244 -0.377 18227 6112 1 18 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.224 -1.001 18227 6113 1 18 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.992 -0.927 18227 6114 1 18 . 1 1 18 18 GLU H H 18 8.233 8.233 8.741 -0.508 18227 6115 1 18 . 1 1 19 19 CYS N N 19 118.899 118.899 117.235 1.664 18227 6116 1 18 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.307 0.169 18227 6117 1 18 . 1 1 19 19 CYS C C 19 175.896 175.896 176.268 -0.372 18227 6118 1 18 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.751 -0.489 18227 6119 1 18 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.027 0.032 18227 6120 1 18 . 1 1 19 19 CYS H H 19 8.245 8.245 8.244 0.001 18227 6121 1 18 . 1 1 20 20 GLU N N 20 120.324 120.324 119.367 0.957 18227 6122 1 18 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.292 0.035 18227 6123 1 18 . 1 1 20 20 GLU C C 20 177.163 177.163 177.514 -0.351 18227 6124 1 18 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.028 0.344 18227 6125 1 18 . 1 1 20 20 GLU CB C 20 28.044 28.044 30.271 -2.227 18227 6126 1 18 . 1 1 20 20 GLU H H 20 8.299 8.299 8.011 0.288 18227 6127 1 18 . 1 1 21 21 TYR N N 21 118.601 118.601 122.327 -3.726 18227 6128 1 18 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.282 0.323 18227 6129 1 18 . 1 1 21 21 TYR C C 21 177.166 177.166 176.944 0.222 18227 6130 1 18 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.338 -1.932 18227 6131 1 18 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.514 -0.036 18227 6132 1 18 . 1 1 21 21 TYR H H 21 8.165 8.165 8.254 -0.089 18227 6133 1 18 . 1 1 22 22 THR N N 22 112.362 112.362 111.164 1.198 18227 6134 1 18 . 1 1 22 22 THR HA H 22 4.203 4.203 4.275 -0.072 18227 6135 1 18 . 1 1 22 22 THR C C 22 176.226 176.226 175.054 1.172 18227 6136 1 18 . 1 1 22 22 THR CA C 22 64.825 64.825 64.744 0.081 18227 6137 1 18 . 1 1 22 22 THR CB C 22 69.471 69.471 68.266 1.205 18227 6138 1 18 . 1 1 22 22 THR H H 22 8.063 8.063 8.121 -0.058 18227 6139 1 18 . 1 1 23 23 ASP N N 23 121.414 121.414 122.133 -0.719 18227 6140 1 18 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.782 -0.039 18227 6141 1 18 . 1 1 23 23 ASP C C 23 176.664 176.664 177.207 -0.543 18227 6142 1 18 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.153 -1.994 18227 6143 1 18 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.605 -4.130 18227 6144 1 18 . 1 1 23 23 ASP H H 23 8.355 8.355 7.987 0.368 18227 6145 1 18 . 1 1 24 24 TRP N N 24 121.858 121.858 122.933 -1.075 18227 6146 1 18 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.050 0.590 18227 6147 1 18 . 1 1 24 24 TRP C C 24 178.311 178.311 177.520 0.791 18227 6148 1 18 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.104 -1.460 18227 6149 1 18 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.434 -0.691 18227 6150 1 18 . 1 1 24 24 TRP H H 24 8.363 8.363 8.736 -0.373 18227 6151 1 18 . 1 1 25 25 LYS N N 25 120.099 120.099 117.719 2.380 18227 6152 1 18 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.349 1.727 18227 6153 1 18 . 1 1 25 25 LYS C C 25 177.946 177.946 177.850 0.096 18227 6154 1 18 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.211 -0.077 18227 6155 1 18 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.654 0.616 18227 6156 1 18 . 1 1 25 25 LYS H H 25 8.291 8.291 7.267 1.024 18227 6157 1 18 . 1 1 26 26 SER N N 26 113.558 113.558 113.422 0.136 18227 6158 1 18 . 1 1 26 26 SER HA H 26 4.541 4.541 4.296 0.245 18227 6159 1 18 . 1 1 26 26 SER C C 26 175.212 175.212 176.370 -1.158 18227 6160 1 18 . 1 1 26 26 SER CA C 26 59.813 59.813 60.854 -1.041 18227 6161 1 18 . 1 1 26 26 SER CB C 26 63.672 63.672 64.161 -0.489 18227 6162 1 18 . 1 1 26 26 SER H H 26 8.088 8.088 7.781 0.307 18227 6163 1 18 . 1 1 27 27 SER N N 27 116.456 116.456 118.180 -1.724 18227 6164 1 18 . 1 1 27 27 SER HA H 27 4.534 4.534 4.361 0.173 18227 6165 1 18 . 1 1 27 27 SER C C 27 175.216 175.216 175.685 -0.469 18227 6166 1 18 . 1 1 27 27 SER CA C 27 60.042 60.042 60.527 -0.485 18227 6167 1 18 . 1 1 27 27 SER CB C 27 63.782 63.782 62.502 1.280 18227 6168 1 18 . 1 1 27 27 SER H H 27 8.025 8.025 8.635 -0.610 18227 6169 1 18 . 1 1 28 28 GLY N N 28 108.769 108.769 108.251 0.518 18227 6170 1 18 . 1 1 28 28 GLY C C 28 174.198 174.198 174.162 0.036 18227 6171 1 18 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.854 1.021 18227 6172 1 18 . 1 1 28 28 GLY H H 28 8.051 8.051 7.846 0.205 18227 6173 1 18 . 1 1 29 29 ALA N N 29 121.719 121.719 123.806 -2.087 18227 6174 1 18 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.458 -0.047 18227 6175 1 18 . 1 1 29 29 ALA C C 29 177.554 177.554 176.416 1.138 18227 6176 1 18 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.362 0.723 18227 6177 1 18 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.701 1.073 18227 6178 1 18 . 1 1 29 29 ALA H H 29 7.749 7.749 7.540 0.209 18227 6179 1 18 . 1 1 30 30 LEU N N 30 118.220 118.220 112.129 6.091 18227 6180 1 18 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.492 0.054 18227 6181 1 18 . 1 1 30 30 LEU C C 30 176.978 176.978 177.050 -0.072 18227 6182 1 18 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.913 -0.246 18227 6183 1 18 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.212 0.544 18227 6184 1 18 . 1 1 30 30 LEU H H 30 7.660 7.660 7.252 0.408 18227 6185 1 18 . 1 1 31 31 ILE N N 31 118.934 118.934 122.268 -3.334 18227 6186 1 18 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.140 0.245 18227 6187 1 18 . 1 1 31 31 ILE C C 31 175.025 175.025 174.754 0.271 18227 6188 1 18 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.447 -3.771 18227 6189 1 18 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.064 1.507 18227 6190 1 18 . 1 1 31 31 ILE H H 31 7.446 7.446 7.546 -0.100 18227 6191 1 18 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.241 0.238 18227 6192 1 18 . 1 1 32 32 PRO C C 32 177.601 177.601 177.874 -0.273 18227 6193 1 18 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.940 -0.620 18227 6194 1 18 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.767 0.468 18227 6195 1 18 . 1 1 33 33 ALA N N 33 118.822 118.822 121.792 -2.970 18227 6196 1 18 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.090 0.277 18227 6197 1 18 . 1 1 33 33 ALA C C 33 179.269 179.269 179.729 -0.460 18227 6198 1 18 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.188 -0.371 18227 6199 1 18 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.224 -0.332 18227 6200 1 18 . 1 1 33 33 ALA H H 33 7.293 7.293 7.484 -0.191 18227 6201 1 18 . 1 1 34 34 ILE N N 34 116.953 116.953 118.949 -1.996 18227 6202 1 18 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.686 0.404 18227 6203 1 18 . 1 1 34 34 ILE C C 34 177.061 177.061 178.502 -1.441 18227 6204 1 18 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.944 -0.959 18227 6205 1 18 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.114 1.005 18227 6206 1 18 . 1 1 34 34 ILE H H 34 7.766 7.766 7.974 -0.208 18227 6207 1 18 . 1 1 35 35 TYR N N 35 118.432 118.432 119.541 -1.109 18227 6208 1 18 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.099 0.269 18227 6209 1 18 . 1 1 35 35 TYR C C 35 178.052 178.052 178.593 -0.541 18227 6210 1 18 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.390 -1.268 18227 6211 1 18 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.420 -0.484 18227 6212 1 18 . 1 1 35 35 TYR H H 35 7.988 7.988 7.790 0.198 18227 6213 1 18 . 1 1 36 36 MET N N 36 117.042 117.042 117.831 -0.789 18227 6214 1 18 . 1 1 36 36 MET HA H 36 4.534 4.534 4.209 0.325 18227 6215 1 18 . 1 1 36 36 MET C C 36 177.734 177.734 178.829 -1.095 18227 6216 1 18 . 1 1 36 36 MET CA C 36 58.272 58.272 57.750 0.522 18227 6217 1 18 . 1 1 36 36 MET CB C 36 31.979 31.979 32.122 -0.143 18227 6218 1 18 . 1 1 36 36 MET H H 36 7.934 7.934 8.697 -0.763 18227 6219 1 18 . 1 1 37 37 LEU N N 37 120.539 120.539 120.134 0.405 18227 6220 1 18 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.071 0.272 18227 6221 1 18 . 1 1 37 37 LEU C C 37 178.746 178.746 178.512 0.234 18227 6222 1 18 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.345 0.367 18227 6223 1 18 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.109 -0.071 18227 6224 1 18 . 1 1 37 37 LEU H H 37 8.013 8.013 8.593 -0.580 18227 6225 1 18 . 1 1 38 38 VAL N N 38 117.729 117.729 116.459 1.270 18227 6226 1 18 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.935 -0.158 18227 6227 1 18 . 1 1 38 38 VAL C C 38 179.009 179.009 176.436 2.573 18227 6228 1 18 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.510 2.689 18227 6229 1 18 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.241 -0.576 18227 6230 1 18 . 1 1 38 38 VAL H H 38 8.360 8.360 7.724 0.636 18227 6231 1 18 . 1 1 39 39 PHE N N 39 120.549 120.549 122.043 -1.494 18227 6232 1 18 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.370 0.055 18227 6233 1 18 . 1 1 39 39 PHE C C 39 179.129 179.129 177.240 1.889 18227 6234 1 18 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.726 -0.204 18227 6235 1 18 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.706 -1.603 18227 6236 1 18 . 1 1 39 39 PHE H H 39 8.225 8.225 8.181 0.044 18227 6237 1 18 . 1 1 40 40 LEU N N 40 122.778 122.778 113.481 9.297 18227 6238 1 18 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.442 -0.275 18227 6239 1 18 . 1 1 40 40 LEU C C 40 180.673 180.673 177.160 3.513 18227 6240 1 18 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.908 1.730 18227 6241 1 18 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.584 0.580 18227 6242 1 18 . 1 1 40 40 LEU H H 40 8.874 8.874 8.248 0.626 18227 6243 1 18 . 1 1 41 41 LEU N N 41 122.144 122.144 116.445 5.699 18227 6244 1 18 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.586 -0.350 18227 6245 1 18 . 1 1 41 41 LEU C C 41 180.709 180.709 177.272 3.437 18227 6246 1 18 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.764 3.706 18227 6247 1 18 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.233 -1.456 18227 6248 1 18 . 1 1 41 41 LEU H H 41 9.193 9.193 7.628 1.565 18227 6249 1 18 . 1 1 42 42 GLY N N 42 107.124 107.124 106.513 0.611 18227 6250 1 18 . 1 1 42 42 GLY C C 42 176.537 176.537 174.561 1.976 18227 6251 1 18 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.524 1.209 18227 6252 1 18 . 1 1 42 42 GLY H H 42 8.755 8.755 7.537 1.218 18227 6253 1 18 . 1 1 43 43 THR N N 43 113.411 113.411 113.167 0.244 18227 6254 1 18 . 1 1 43 43 THR HA H 43 4.299 4.299 4.338 -0.039 18227 6255 1 18 . 1 1 43 43 THR C C 43 176.797 176.797 173.751 3.046 18227 6256 1 18 . 1 1 43 43 THR CA C 43 64.990 64.990 62.151 2.838 18227 6257 1 18 . 1 1 43 43 THR CB C 43 69.731 69.731 68.860 0.871 18227 6258 1 18 . 1 1 43 43 THR H H 43 8.179 8.179 7.977 0.202 18227 6259 1 18 . 1 1 44 44 THR N N 44 114.667 114.667 115.365 -0.698 18227 6260 1 18 . 1 1 44 44 THR HA H 44 4.366 4.366 4.474 -0.108 18227 6261 1 18 . 1 1 44 44 THR C C 44 176.375 176.375 175.066 1.309 18227 6262 1 18 . 1 1 44 44 THR CA C 44 64.833 64.833 62.842 1.991 18227 6263 1 18 . 1 1 44 44 THR CB C 44 69.988 69.988 69.869 0.119 18227 6264 1 18 . 1 1 44 44 THR H H 44 8.026 8.026 7.776 0.250 18227 6265 1 18 . 1 1 45 45 GLY N N 45 109.336 109.336 108.774 0.562 18227 6266 1 18 . 1 1 45 45 GLY C C 45 174.924 174.924 174.329 0.595 18227 6267 1 18 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.570 2.157 18227 6268 1 18 . 1 1 45 45 GLY H H 45 8.261 8.261 8.593 -0.332 18227 6269 1 18 . 1 1 46 46 ASN N N 46 117.547 117.547 118.686 -1.139 18227 6270 1 18 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.746 -0.007 18227 6271 1 18 . 1 1 46 46 ASN C C 46 176.815 176.815 176.486 0.329 18227 6272 1 18 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.491 -0.141 18227 6273 1 18 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.421 -0.928 18227 6274 1 18 . 1 1 46 46 ASN H H 46 8.083 8.083 7.897 0.186 18227 6275 1 18 . 1 1 47 47 GLY N N 47 106.960 106.960 110.023 -3.063 18227 6276 1 18 . 1 1 47 47 GLY C C 47 175.001 175.001 176.335 -1.334 18227 6277 1 18 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.868 0.119 18227 6278 1 18 . 1 1 47 47 GLY H H 47 8.318 8.318 8.475 -0.157 18227 6279 1 18 . 1 1 48 48 LEU N N 48 120.991 120.991 121.403 -0.412 18227 6280 1 18 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.127 0.362 18227 6281 1 18 . 1 1 48 48 LEU C C 48 180.375 180.375 178.488 1.887 18227 6282 1 18 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.891 0.357 18227 6283 1 18 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.532 0.515 18227 6284 1 18 . 1 1 48 48 LEU H H 48 7.999 7.999 8.051 -0.052 18227 6285 1 18 . 1 1 49 49 VAL N N 49 121.040 121.040 118.426 2.614 18227 6286 1 18 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.744 0.089 18227 6287 1 18 . 1 1 49 49 VAL C C 49 178.016 178.016 178.365 -0.349 18227 6288 1 18 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.364 0.853 18227 6289 1 18 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.419 0.521 18227 6290 1 18 . 1 1 49 49 VAL H H 49 7.989 7.989 7.849 0.140 18227 6291 1 18 . 1 1 50 50 LEU N N 50 119.986 119.986 119.402 0.584 18227 6292 1 18 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.929 0.268 18227 6293 1 18 . 1 1 50 50 LEU C C 50 178.823 178.823 179.299 -0.476 18227 6294 1 18 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.042 0.648 18227 6295 1 18 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.545 0.120 18227 6296 1 18 . 1 1 50 50 LEU H H 50 7.926 7.926 7.758 0.168 18227 6297 1 18 . 1 1 51 51 TRP N N 51 117.842 117.842 120.638 -2.796 18227 6298 1 18 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.407 0.280 18227 6299 1 18 . 1 1 51 51 TRP C C 51 178.729 178.729 178.685 0.044 18227 6300 1 18 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.787 -0.407 18227 6301 1 18 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.812 -0.271 18227 6302 1 18 . 1 1 51 51 TRP H H 51 8.525 8.525 8.155 0.370 18227 6303 1 18 . 1 1 52 52 THR N N 52 114.722 114.722 118.075 -3.353 18227 6304 1 18 . 1 1 52 52 THR HA H 52 4.007 4.007 3.640 0.367 18227 6305 1 18 . 1 1 52 52 THR C C 52 176.228 176.228 176.520 -0.292 18227 6306 1 18 . 1 1 52 52 THR CA C 52 67.517 67.517 67.493 0.024 18227 6307 1 18 . 1 1 52 52 THR CB C 52 69.051 69.051 69.085 -0.034 18227 6308 1 18 . 1 1 52 52 THR H H 52 8.248 8.248 8.788 -0.540 18227 6309 1 18 . 1 1 53 53 VAL N N 53 123.008 123.008 120.892 2.116 18227 6310 1 18 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.639 0.109 18227 6311 1 18 . 1 1 53 53 VAL C C 53 178.474 178.474 177.451 1.023 18227 6312 1 18 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.354 0.101 18227 6313 1 18 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.486 0.354 18227 6314 1 18 . 1 1 53 53 VAL H H 53 8.634 8.634 8.607 0.027 18227 6315 1 18 . 1 1 54 54 PHE N N 54 119.554 119.554 118.482 1.072 18227 6316 1 18 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.067 0.343 18227 6317 1 18 . 1 1 54 54 PHE C C 54 179.173 179.173 177.132 2.041 18227 6318 1 18 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.780 -0.693 18227 6319 1 18 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.433 0.357 18227 6320 1 18 . 1 1 54 54 PHE H H 54 8.860 8.860 7.812 1.048 18227 6321 1 18 . 1 1 55 55 ARG N N 55 118.355 118.355 116.277 2.078 18227 6322 1 18 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.103 0.017 18227 6323 1 18 . 1 1 55 55 ARG C C 55 178.719 178.719 177.157 1.562 18227 6324 1 18 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.557 2.419 18227 6325 1 18 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.937 0.141 18227 6326 1 18 . 1 1 55 55 ARG H H 55 8.296 8.296 7.497 0.799 18227 6327 1 18 . 1 1 56 56 LYS N N 56 119.698 119.698 117.481 2.217 18227 6328 1 18 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.443 -0.150 18227 6329 1 18 . 1 1 56 56 LYS C C 56 178.742 178.742 177.502 1.240 18227 6330 1 18 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.099 0.952 18227 6331 1 18 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.246 -0.475 18227 6332 1 18 . 1 1 56 56 LYS H H 56 8.377 8.377 8.002 0.375 18227 6333 1 18 . 1 1 57 57 LYS N N 57 119.104 119.104 118.947 0.157 18227 6334 1 18 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.150 0.195 18227 6335 1 18 . 1 1 57 57 LYS C C 57 178.311 178.311 176.703 1.608 18227 6336 1 18 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.147 1.985 18227 6337 1 18 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.131 -0.441 18227 6338 1 18 . 1 1 57 57 LYS H H 57 8.610 8.610 8.368 0.242 18227 6339 1 18 . 1 1 58 58 GLY N N 58 106.684 106.684 106.518 0.166 18227 6340 1 18 . 1 1 58 58 GLY C C 58 174.451 174.451 175.220 -0.769 18227 6341 1 18 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.640 0.273 18227 6342 1 18 . 1 1 58 58 GLY H H 58 8.154 8.154 7.261 0.893 18227 6343 1 18 . 1 1 59 59 HIS N N 59 116.995 116.995 118.317 -1.322 18227 6344 1 18 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.132 0.643 18227 6345 1 18 . 1 1 59 59 HIS C C 59 174.529 174.529 175.408 -0.879 18227 6346 1 18 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.913 -1.773 18227 6347 1 18 . 1 1 59 59 HIS CB C 59 28.627 28.627 28.726 -0.099 18227 6348 1 18 . 1 1 59 59 HIS H H 59 8.106 8.106 8.051 0.055 18227 6349 1 18 . 1 1 60 60 HIS N N 60 117.887 117.887 119.365 -1.478 18227 6350 1 18 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.204 0.642 18227 6351 1 18 . 1 1 60 60 HIS C C 60 174.247 174.247 174.953 -0.706 18227 6352 1 18 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.393 -0.486 18227 6353 1 18 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.248 -1.198 18227 6354 1 18 . 1 1 60 60 HIS H H 60 8.425 8.425 7.135 1.290 18227 6355 1 18 . 1 1 61 61 HIS N N 61 118.329 118.329 114.809 3.520 18227 6356 1 18 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.211 0.662 18227 6357 1 18 . 1 1 61 61 HIS C C 61 174.139 174.139 174.981 -0.842 18227 6358 1 18 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.572 1.222 18227 6359 1 18 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.828 -1.558 18227 6360 1 18 . 1 1 61 61 HIS H H 61 8.573 8.573 7.776 0.797 18227 6361 1 18 . 1 1 62 62 HIS N N 62 118.968 118.968 119.415 -0.447 18227 6362 1 18 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.563 0.312 18227 6363 1 18 . 1 1 62 62 HIS C C 62 173.827 173.827 175.161 -1.334 18227 6364 1 18 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.479 -0.711 18227 6365 1 18 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.641 -0.373 18227 6366 1 18 . 1 1 62 62 HIS H H 62 8.662 8.662 8.582 0.080 18227 6367 1 18 . 1 1 63 63 HIS N N 63 118.949 118.949 120.511 -1.562 18227 6368 1 18 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.141 0.709 18227 6369 1 18 . 1 1 63 63 HIS C C 63 173.433 173.433 174.664 -1.231 18227 6370 1 18 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.348 -0.559 18227 6371 1 18 . 1 1 63 63 HIS CB C 63 29.462 29.462 26.969 2.493 18227 6372 1 18 . 1 1 63 63 HIS H H 63 8.518 8.518 8.907 -0.389 18227 6373 1 19 . 1 1 2 2 GLU N N 2 122.322 122.322 122.080 0.242 18227 6374 1 19 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.637 0.041 18227 6375 1 19 . 1 1 2 2 GLU C C 2 175.160 175.160 174.880 0.280 18227 6376 1 19 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.095 -1.002 18227 6377 1 19 . 1 1 2 2 GLU CB C 2 29.175 29.175 31.129 -1.954 18227 6378 1 19 . 1 1 2 2 GLU H H 2 8.641 8.641 8.323 0.318 18227 6379 1 19 . 1 1 3 3 GLU N N 3 121.391 121.391 120.539 0.852 18227 6380 1 19 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.487 0.143 18227 6381 1 19 . 1 1 3 3 GLU C C 3 176.097 176.097 175.307 0.790 18227 6382 1 19 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.263 -1.176 18227 6383 1 19 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.294 -1.109 18227 6384 1 19 . 1 1 3 3 GLU H H 3 8.448 8.448 8.537 -0.089 18227 6385 1 19 . 1 1 4 4 GLY N N 4 109.002 109.002 111.344 -2.342 18227 6386 1 19 . 1 1 4 4 GLY C C 4 174.407 174.407 174.786 -0.379 18227 6387 1 19 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.416 0.029 18227 6388 1 19 . 1 1 4 4 GLY H H 4 8.333 8.333 8.866 -0.533 18227 6389 1 19 . 1 1 5 5 GLY N N 5 107.419 107.419 109.999 -2.580 18227 6390 1 19 . 1 1 5 5 GLY C C 5 173.914 173.914 173.846 0.068 18227 6391 1 19 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.274 1.216 18227 6392 1 19 . 1 1 5 5 GLY H H 5 8.120 8.120 7.933 0.187 18227 6393 1 19 . 1 1 6 6 ASP N N 6 117.918 117.918 117.215 0.703 18227 6394 1 19 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.150 0.756 18227 6395 1 19 . 1 1 6 6 ASP C C 6 175.114 175.114 175.915 -0.801 18227 6396 1 19 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.194 -1.075 18227 6397 1 19 . 1 1 6 6 ASP CB C 6 37.959 37.959 39.983 -2.025 18227 6398 1 19 . 1 1 6 6 ASP H H 6 8.204 8.204 7.914 0.290 18227 6399 1 19 . 1 1 7 7 PHE N N 7 119.801 119.801 119.225 0.576 18227 6400 1 19 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.459 0.251 18227 6401 1 19 . 1 1 7 7 PHE C C 7 175.789 175.789 175.138 0.651 18227 6402 1 19 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.243 0.433 18227 6403 1 19 . 1 1 7 7 PHE CB C 7 39.169 39.169 37.242 1.927 18227 6404 1 19 . 1 1 7 7 PHE H H 7 8.072 8.072 7.950 0.122 18227 6405 1 19 . 1 1 8 8 ASP N N 8 117.963 117.963 118.754 -0.791 18227 6406 1 19 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.821 -0.044 18227 6407 1 19 . 1 1 8 8 ASP C C 8 174.919 174.919 175.247 -0.328 18227 6408 1 19 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.985 -0.405 18227 6409 1 19 . 1 1 8 8 ASP CB C 8 37.723 37.723 42.888 -5.165 18227 6410 1 19 . 1 1 8 8 ASP H H 8 8.184 8.184 8.538 -0.354 18227 6411 1 19 . 1 1 9 9 ASN N N 9 117.736 117.736 118.752 -1.016 18227 6412 1 19 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.532 0.258 18227 6413 1 19 . 1 1 9 9 ASN C C 9 174.974 174.974 175.334 -0.360 18227 6414 1 19 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.373 -1.637 18227 6415 1 19 . 1 1 9 9 ASN CB C 9 38.570 38.570 39.075 -0.505 18227 6416 1 19 . 1 1 9 9 ASN H H 9 8.080 8.080 7.503 0.577 18227 6417 1 19 . 1 1 10 10 TYR N N 10 119.580 119.580 119.572 0.008 18227 6418 1 19 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.220 0.406 18227 6419 1 19 . 1 1 10 10 TYR C C 10 175.935 175.935 174.405 1.530 18227 6420 1 19 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.888 -0.109 18227 6421 1 19 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.956 0.558 18227 6422 1 19 . 1 1 10 10 TYR H H 10 7.869 7.869 8.591 -0.722 18227 6423 1 19 . 1 1 11 11 TYR N N 11 120.254 120.254 121.240 -0.986 18227 6424 1 19 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.239 0.380 18227 6425 1 19 . 1 1 11 11 TYR C C 11 176.666 176.666 174.412 2.254 18227 6426 1 19 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.414 0.442 18227 6427 1 19 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.999 0.489 18227 6428 1 19 . 1 1 11 11 TYR H H 11 7.906 7.906 7.996 -0.090 18227 6429 1 19 . 1 1 12 12 GLY N N 12 108.226 108.226 104.076 4.150 18227 6430 1 19 . 1 1 12 12 GLY C C 12 174.314 174.314 172.833 1.481 18227 6431 1 19 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.610 0.170 18227 6432 1 19 . 1 1 12 12 GLY H H 12 7.817 7.817 8.071 -0.254 18227 6433 1 19 . 1 1 13 13 ALA N N 13 122.970 122.970 121.821 1.149 18227 6434 1 19 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.297 0.173 18227 6435 1 19 . 1 1 13 13 ALA C C 13 178.137 178.137 176.875 1.262 18227 6436 1 19 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.450 1.000 18227 6437 1 19 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.881 -1.198 18227 6438 1 19 . 1 1 13 13 ALA H H 13 7.913 7.913 8.013 -0.100 18227 6439 1 19 . 1 1 14 14 ASP N N 14 116.374 116.374 119.421 -3.047 18227 6440 1 19 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.593 0.282 18227 6441 1 19 . 1 1 14 14 ASP C C 14 175.450 175.450 177.277 -1.827 18227 6442 1 19 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.569 -1.929 18227 6443 1 19 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.741 -2.879 18227 6444 1 19 . 1 1 14 14 ASP H H 14 8.348 8.348 8.206 0.142 18227 6445 1 19 . 1 1 15 15 ASN N N 15 118.423 118.423 117.796 0.627 18227 6446 1 19 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.402 0.468 18227 6447 1 19 . 1 1 15 15 ASN C C 15 176.054 176.054 176.132 -0.078 18227 6448 1 19 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.861 -1.433 18227 6449 1 19 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.502 0.180 18227 6450 1 19 . 1 1 15 15 ASN H H 15 8.272 8.272 8.416 -0.144 18227 6451 1 19 . 1 1 16 16 GLN N N 16 120.129 120.129 112.673 7.456 18227 6452 1 19 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.238 0.178 18227 6453 1 19 . 1 1 16 16 GLN C C 16 177.337 177.337 176.497 0.840 18227 6454 1 19 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.632 0.624 18227 6455 1 19 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.933 -0.149 18227 6456 1 19 . 1 1 16 16 GLN H H 16 8.481 8.481 8.283 0.198 18227 6457 1 19 . 1 1 17 17 SER N N 17 115.051 115.051 117.056 -2.005 18227 6458 1 19 . 1 1 17 17 SER HA H 17 4.505 4.505 4.418 0.087 18227 6459 1 19 . 1 1 17 17 SER C C 17 175.596 175.596 176.330 -0.734 18227 6460 1 19 . 1 1 17 17 SER CA C 17 60.767 60.767 61.045 -0.278 18227 6461 1 19 . 1 1 17 17 SER CB C 17 63.325 63.325 64.567 -1.242 18227 6462 1 19 . 1 1 17 17 SER H H 17 8.380 8.380 7.904 0.476 18227 6463 1 19 . 1 1 18 18 GLU N N 18 120.901 120.901 122.175 -1.274 18227 6464 1 19 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.067 0.392 18227 6465 1 19 . 1 1 18 18 GLU C C 18 177.867 177.867 178.416 -0.549 18227 6466 1 19 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.414 -1.191 18227 6467 1 19 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.857 -0.792 18227 6468 1 19 . 1 1 18 18 GLU H H 18 8.233 8.233 8.881 -0.648 18227 6469 1 19 . 1 1 19 19 CYS N N 19 118.899 118.899 115.825 3.074 18227 6470 1 19 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.290 0.186 18227 6471 1 19 . 1 1 19 19 CYS C C 19 175.896 175.896 175.928 -0.032 18227 6472 1 19 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.518 -0.256 18227 6473 1 19 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.124 -0.065 18227 6474 1 19 . 1 1 19 19 CYS H H 19 8.245 8.245 8.168 0.077 18227 6475 1 19 . 1 1 20 20 GLU N N 20 120.324 120.324 119.025 1.299 18227 6476 1 19 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.222 0.105 18227 6477 1 19 . 1 1 20 20 GLU C C 20 177.163 177.163 178.415 -1.252 18227 6478 1 19 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.968 0.404 18227 6479 1 19 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.984 -1.940 18227 6480 1 19 . 1 1 20 20 GLU H H 20 8.299 8.299 8.278 0.021 18227 6481 1 19 . 1 1 21 21 TYR N N 21 118.601 118.601 121.111 -2.510 18227 6482 1 19 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.348 0.257 18227 6483 1 19 . 1 1 21 21 TYR C C 21 177.166 177.166 177.480 -0.314 18227 6484 1 19 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.707 -1.301 18227 6485 1 19 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.660 -0.182 18227 6486 1 19 . 1 1 21 21 TYR H H 21 8.165 8.165 8.578 -0.413 18227 6487 1 19 . 1 1 22 22 THR N N 22 112.362 112.362 109.723 2.639 18227 6488 1 19 . 1 1 22 22 THR HA H 22 4.203 4.203 4.319 -0.116 18227 6489 1 19 . 1 1 22 22 THR C C 22 176.226 176.226 175.179 1.047 18227 6490 1 19 . 1 1 22 22 THR CA C 22 64.825 64.825 64.149 0.676 18227 6491 1 19 . 1 1 22 22 THR CB C 22 69.471 69.471 68.702 0.769 18227 6492 1 19 . 1 1 22 22 THR H H 22 8.063 8.063 7.923 0.140 18227 6493 1 19 . 1 1 23 23 ASP N N 23 121.414 121.414 122.525 -1.111 18227 6494 1 19 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.785 -0.042 18227 6495 1 19 . 1 1 23 23 ASP C C 23 176.664 176.664 177.394 -0.730 18227 6496 1 19 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.883 -0.724 18227 6497 1 19 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.409 -3.934 18227 6498 1 19 . 1 1 23 23 ASP H H 23 8.355 8.355 8.238 0.117 18227 6499 1 19 . 1 1 24 24 TRP N N 24 121.858 121.858 122.662 -0.804 18227 6500 1 19 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.107 0.533 18227 6501 1 19 . 1 1 24 24 TRP C C 24 178.311 178.311 177.470 0.841 18227 6502 1 19 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.321 -1.677 18227 6503 1 19 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.369 -0.626 18227 6504 1 19 . 1 1 24 24 TRP H H 24 8.363 8.363 8.894 -0.531 18227 6505 1 19 . 1 1 25 25 LYS N N 25 120.099 120.099 117.245 2.854 18227 6506 1 19 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.506 1.570 18227 6507 1 19 . 1 1 25 25 LYS C C 25 177.946 177.946 177.853 0.093 18227 6508 1 19 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.004 0.130 18227 6509 1 19 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.707 0.562 18227 6510 1 19 . 1 1 25 25 LYS H H 25 8.291 8.291 7.302 0.989 18227 6511 1 19 . 1 1 26 26 SER N N 26 113.558 113.558 112.848 0.710 18227 6512 1 19 . 1 1 26 26 SER HA H 26 4.541 4.541 4.339 0.202 18227 6513 1 19 . 1 1 26 26 SER C C 26 175.212 175.212 175.826 -0.614 18227 6514 1 19 . 1 1 26 26 SER CA C 26 59.813 59.813 60.071 -0.258 18227 6515 1 19 . 1 1 26 26 SER CB C 26 63.672 63.672 64.308 -0.636 18227 6516 1 19 . 1 1 26 26 SER H H 26 8.088 8.088 7.969 0.119 18227 6517 1 19 . 1 1 27 27 SER N N 27 116.456 116.456 117.756 -1.300 18227 6518 1 19 . 1 1 27 27 SER HA H 27 4.534 4.534 4.455 0.079 18227 6519 1 19 . 1 1 27 27 SER C C 27 175.216 175.216 175.234 -0.018 18227 6520 1 19 . 1 1 27 27 SER CA C 27 60.042 60.042 59.334 0.708 18227 6521 1 19 . 1 1 27 27 SER CB C 27 63.782 63.782 63.205 0.577 18227 6522 1 19 . 1 1 27 27 SER H H 27 8.025 8.025 8.441 -0.416 18227 6523 1 19 . 1 1 28 28 GLY N N 28 108.769 108.769 108.002 0.767 18227 6524 1 19 . 1 1 28 28 GLY C C 28 174.198 174.198 173.900 0.298 18227 6525 1 19 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.532 1.343 18227 6526 1 19 . 1 1 28 28 GLY H H 28 8.051 8.051 7.509 0.542 18227 6527 1 19 . 1 1 29 29 ALA N N 29 121.719 121.719 122.656 -0.937 18227 6528 1 19 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.498 -0.087 18227 6529 1 19 . 1 1 29 29 ALA C C 29 177.554 177.554 177.007 0.547 18227 6530 1 19 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.367 0.718 18227 6531 1 19 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.587 0.188 18227 6532 1 19 . 1 1 29 29 ALA H H 29 7.749 7.749 7.776 -0.027 18227 6533 1 19 . 1 1 30 30 LEU N N 30 118.220 118.220 113.440 4.780 18227 6534 1 19 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.685 -0.139 18227 6535 1 19 . 1 1 30 30 LEU C C 30 176.978 176.978 177.659 -0.681 18227 6536 1 19 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.108 -0.441 18227 6537 1 19 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.814 -0.058 18227 6538 1 19 . 1 1 30 30 LEU H H 30 7.660 7.660 7.434 0.226 18227 6539 1 19 . 1 1 31 31 ILE N N 31 118.934 118.934 120.897 -1.963 18227 6540 1 19 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.172 0.213 18227 6541 1 19 . 1 1 31 31 ILE C C 31 175.025 175.025 174.942 0.083 18227 6542 1 19 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.267 -3.591 18227 6543 1 19 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.121 2.450 18227 6544 1 19 . 1 1 31 31 ILE H H 31 7.446 7.446 7.727 -0.281 18227 6545 1 19 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.266 0.213 18227 6546 1 19 . 1 1 32 32 PRO C C 32 177.601 177.601 178.452 -0.851 18227 6547 1 19 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.119 -0.799 18227 6548 1 19 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.829 0.406 18227 6549 1 19 . 1 1 33 33 ALA N N 33 118.822 118.822 120.704 -1.882 18227 6550 1 19 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.133 0.234 18227 6551 1 19 . 1 1 33 33 ALA C C 33 179.269 179.269 180.056 -0.787 18227 6552 1 19 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.013 -0.196 18227 6553 1 19 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.283 -0.391 18227 6554 1 19 . 1 1 33 33 ALA H H 33 7.293 7.293 8.079 -0.786 18227 6555 1 19 . 1 1 34 34 ILE N N 34 116.953 116.953 119.667 -2.714 18227 6556 1 19 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.651 0.439 18227 6557 1 19 . 1 1 34 34 ILE C C 34 177.061 177.061 178.091 -1.030 18227 6558 1 19 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.440 -0.455 18227 6559 1 19 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.448 0.671 18227 6560 1 19 . 1 1 34 34 ILE H H 34 7.766 7.766 7.508 0.258 18227 6561 1 19 . 1 1 35 35 TYR N N 35 118.432 118.432 118.042 0.390 18227 6562 1 19 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.940 0.428 18227 6563 1 19 . 1 1 35 35 TYR C C 35 178.052 178.052 178.129 -0.077 18227 6564 1 19 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.122 -1.000 18227 6565 1 19 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.157 -0.222 18227 6566 1 19 . 1 1 35 35 TYR H H 35 7.988 7.988 8.136 -0.148 18227 6567 1 19 . 1 1 36 36 MET N N 36 117.042 117.042 117.555 -0.513 18227 6568 1 19 . 1 1 36 36 MET HA H 36 4.534 4.534 4.265 0.269 18227 6569 1 19 . 1 1 36 36 MET C C 36 177.734 177.734 178.357 -0.623 18227 6570 1 19 . 1 1 36 36 MET CA C 36 58.272 58.272 57.625 0.647 18227 6571 1 19 . 1 1 36 36 MET CB C 36 31.979 31.979 32.236 -0.257 18227 6572 1 19 . 1 1 36 36 MET H H 36 7.934 7.934 8.287 -0.353 18227 6573 1 19 . 1 1 37 37 LEU N N 37 120.539 120.539 118.671 1.868 18227 6574 1 19 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.112 0.231 18227 6575 1 19 . 1 1 37 37 LEU C C 37 178.746 178.746 177.793 0.953 18227 6576 1 19 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.591 1.121 18227 6577 1 19 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.866 0.172 18227 6578 1 19 . 1 1 37 37 LEU H H 37 8.013 8.013 8.308 -0.295 18227 6579 1 19 . 1 1 38 38 VAL N N 38 117.729 117.729 115.546 2.183 18227 6580 1 19 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.069 -0.292 18227 6581 1 19 . 1 1 38 38 VAL C C 38 179.009 179.009 175.758 3.251 18227 6582 1 19 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.083 4.117 18227 6583 1 19 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.732 -1.067 18227 6584 1 19 . 1 1 38 38 VAL H H 38 8.360 8.360 7.663 0.697 18227 6585 1 19 . 1 1 39 39 PHE N N 39 120.549 120.549 120.225 0.324 18227 6586 1 19 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.617 -0.192 18227 6587 1 19 . 1 1 39 39 PHE C C 39 179.129 179.129 175.411 3.718 18227 6588 1 19 . 1 1 39 39 PHE CA C 39 61.522 61.522 58.648 2.874 18227 6589 1 19 . 1 1 39 39 PHE CB C 39 39.103 39.103 42.039 -2.936 18227 6590 1 19 . 1 1 39 39 PHE H H 39 8.225 8.225 8.087 0.138 18227 6591 1 19 . 1 1 40 40 LEU N N 40 122.778 122.778 115.324 7.454 18227 6592 1 19 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.584 -0.417 18227 6593 1 19 . 1 1 40 40 LEU C C 40 180.673 180.673 176.498 4.175 18227 6594 1 19 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.642 2.996 18227 6595 1 19 . 1 1 40 40 LEU CB C 40 42.164 42.164 43.239 -1.075 18227 6596 1 19 . 1 1 40 40 LEU H H 40 8.874 8.874 8.093 0.781 18227 6597 1 19 . 1 1 41 41 LEU N N 41 122.144 122.144 120.271 1.873 18227 6598 1 19 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.555 -0.319 18227 6599 1 19 . 1 1 41 41 LEU C C 41 180.709 180.709 177.850 2.859 18227 6600 1 19 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.007 2.463 18227 6601 1 19 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.714 -0.936 18227 6602 1 19 . 1 1 41 41 LEU H H 41 9.193 9.193 7.507 1.686 18227 6603 1 19 . 1 1 42 42 GLY N N 42 107.124 107.124 106.271 0.853 18227 6604 1 19 . 1 1 42 42 GLY C C 42 176.537 176.537 174.905 1.632 18227 6605 1 19 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.718 1.015 18227 6606 1 19 . 1 1 42 42 GLY H H 42 8.755 8.755 8.361 0.394 18227 6607 1 19 . 1 1 43 43 THR N N 43 113.411 113.411 112.079 1.332 18227 6608 1 19 . 1 1 43 43 THR HA H 43 4.299 4.299 4.543 -0.244 18227 6609 1 19 . 1 1 43 43 THR C C 43 176.797 176.797 173.979 2.818 18227 6610 1 19 . 1 1 43 43 THR CA C 43 64.990 64.990 61.736 3.254 18227 6611 1 19 . 1 1 43 43 THR CB C 43 69.731 69.731 69.156 0.575 18227 6612 1 19 . 1 1 43 43 THR H H 43 8.179 8.179 7.841 0.338 18227 6613 1 19 . 1 1 44 44 THR N N 44 114.667 114.667 116.566 -1.899 18227 6614 1 19 . 1 1 44 44 THR HA H 44 4.366 4.366 4.398 -0.032 18227 6615 1 19 . 1 1 44 44 THR C C 44 176.375 176.375 174.840 1.535 18227 6616 1 19 . 1 1 44 44 THR CA C 44 64.833 64.833 63.265 1.568 18227 6617 1 19 . 1 1 44 44 THR CB C 44 69.988 69.988 70.825 -0.837 18227 6618 1 19 . 1 1 44 44 THR H H 44 8.026 8.026 7.457 0.569 18227 6619 1 19 . 1 1 45 45 GLY N N 45 109.336 109.336 108.764 0.572 18227 6620 1 19 . 1 1 45 45 GLY C C 45 174.924 174.924 174.538 0.386 18227 6621 1 19 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.026 1.701 18227 6622 1 19 . 1 1 45 45 GLY H H 45 8.261 8.261 7.781 0.480 18227 6623 1 19 . 1 1 46 46 ASN N N 46 117.547 117.547 119.445 -1.898 18227 6624 1 19 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.753 -0.014 18227 6625 1 19 . 1 1 46 46 ASN C C 46 176.815 176.815 177.070 -0.255 18227 6626 1 19 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.244 0.106 18227 6627 1 19 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.421 -0.928 18227 6628 1 19 . 1 1 46 46 ASN H H 46 8.083 8.083 7.929 0.154 18227 6629 1 19 . 1 1 47 47 GLY N N 47 106.960 106.960 109.492 -2.532 18227 6630 1 19 . 1 1 47 47 GLY C C 47 175.001 175.001 176.584 -1.583 18227 6631 1 19 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.208 -0.221 18227 6632 1 19 . 1 1 47 47 GLY H H 47 8.318 8.318 8.499 -0.181 18227 6633 1 19 . 1 1 48 48 LEU N N 48 120.991 120.991 121.115 -0.124 18227 6634 1 19 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.114 0.375 18227 6635 1 19 . 1 1 48 48 LEU C C 48 180.375 180.375 178.607 1.768 18227 6636 1 19 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.639 0.609 18227 6637 1 19 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.911 0.136 18227 6638 1 19 . 1 1 48 48 LEU H H 48 7.999 7.999 7.728 0.271 18227 6639 1 19 . 1 1 49 49 VAL N N 49 121.040 121.040 118.805 2.235 18227 6640 1 19 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.697 0.136 18227 6641 1 19 . 1 1 49 49 VAL C C 49 178.016 178.016 178.117 -0.101 18227 6642 1 19 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.887 0.330 18227 6643 1 19 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.442 0.498 18227 6644 1 19 . 1 1 49 49 VAL H H 49 7.989 7.989 7.452 0.537 18227 6645 1 19 . 1 1 50 50 LEU N N 50 119.986 119.986 118.700 1.286 18227 6646 1 19 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.930 0.267 18227 6647 1 19 . 1 1 50 50 LEU C C 50 178.823 178.823 179.351 -0.528 18227 6648 1 19 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.769 0.921 18227 6649 1 19 . 1 1 50 50 LEU CB C 50 41.665 41.665 40.957 0.708 18227 6650 1 19 . 1 1 50 50 LEU H H 50 7.926 7.926 8.226 -0.300 18227 6651 1 19 . 1 1 51 51 TRP N N 51 117.842 117.842 121.240 -3.398 18227 6652 1 19 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.315 0.372 18227 6653 1 19 . 1 1 51 51 TRP C C 51 178.729 178.729 177.596 1.133 18227 6654 1 19 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.899 -0.519 18227 6655 1 19 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.674 -0.133 18227 6656 1 19 . 1 1 51 51 TRP H H 51 8.525 8.525 7.972 0.553 18227 6657 1 19 . 1 1 52 52 THR N N 52 114.722 114.722 115.903 -1.181 18227 6658 1 19 . 1 1 52 52 THR HA H 52 4.007 4.007 3.673 0.334 18227 6659 1 19 . 1 1 52 52 THR C C 52 176.228 176.228 176.636 -0.408 18227 6660 1 19 . 1 1 52 52 THR CA C 52 67.517 67.517 66.811 0.706 18227 6661 1 19 . 1 1 52 52 THR CB C 52 69.051 69.051 68.729 0.322 18227 6662 1 19 . 1 1 52 52 THR H H 52 8.248 8.248 8.504 -0.256 18227 6663 1 19 . 1 1 53 53 VAL N N 53 123.008 123.008 121.246 1.762 18227 6664 1 19 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.727 0.021 18227 6665 1 19 . 1 1 53 53 VAL C C 53 178.474 178.474 177.409 1.065 18227 6666 1 19 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.540 0.915 18227 6667 1 19 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.449 0.391 18227 6668 1 19 . 1 1 53 53 VAL H H 53 8.634 8.634 8.736 -0.102 18227 6669 1 19 . 1 1 54 54 PHE N N 54 119.554 119.554 117.461 2.093 18227 6670 1 19 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.110 0.300 18227 6671 1 19 . 1 1 54 54 PHE C C 54 179.173 179.173 177.307 1.866 18227 6672 1 19 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.001 0.086 18227 6673 1 19 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.032 0.758 18227 6674 1 19 . 1 1 54 54 PHE H H 54 8.860 8.860 8.043 0.817 18227 6675 1 19 . 1 1 55 55 ARG N N 55 118.355 118.355 116.528 1.827 18227 6676 1 19 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.216 -0.096 18227 6677 1 19 . 1 1 55 55 ARG C C 55 178.719 178.719 177.365 1.354 18227 6678 1 19 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.497 1.479 18227 6679 1 19 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.747 -0.669 18227 6680 1 19 . 1 1 55 55 ARG H H 55 8.296 8.296 7.462 0.834 18227 6681 1 19 . 1 1 56 56 LYS N N 56 119.698 119.698 118.927 0.771 18227 6682 1 19 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.254 0.039 18227 6683 1 19 . 1 1 56 56 LYS C C 56 178.742 178.742 177.719 1.023 18227 6684 1 19 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.411 0.640 18227 6685 1 19 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.979 -0.208 18227 6686 1 19 . 1 1 56 56 LYS H H 56 8.377 8.377 8.042 0.335 18227 6687 1 19 . 1 1 57 57 LYS N N 57 119.104 119.104 119.204 -0.100 18227 6688 1 19 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.414 -0.069 18227 6689 1 19 . 1 1 57 57 LYS C C 57 178.311 178.311 177.205 1.106 18227 6690 1 19 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.768 1.364 18227 6691 1 19 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.644 -0.954 18227 6692 1 19 . 1 1 57 57 LYS H H 57 8.610 8.610 8.373 0.237 18227 6693 1 19 . 1 1 58 58 GLY N N 58 106.684 106.684 106.313 0.371 18227 6694 1 19 . 1 1 58 58 GLY C C 58 174.451 174.451 174.848 -0.397 18227 6695 1 19 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.594 0.318 18227 6696 1 19 . 1 1 58 58 GLY H H 58 8.154 8.154 7.513 0.641 18227 6697 1 19 . 1 1 59 59 HIS N N 59 116.995 116.995 116.954 0.041 18227 6698 1 19 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.085 0.690 18227 6699 1 19 . 1 1 59 59 HIS C C 59 174.529 174.529 174.282 0.247 18227 6700 1 19 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.937 -1.797 18227 6701 1 19 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.586 -0.959 18227 6702 1 19 . 1 1 59 59 HIS H H 59 8.106 8.106 7.707 0.399 18227 6703 1 19 . 1 1 60 60 HIS N N 60 117.887 117.887 117.019 0.868 18227 6704 1 19 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.818 0.028 18227 6705 1 19 . 1 1 60 60 HIS C C 60 174.247 174.247 174.400 -0.153 18227 6706 1 19 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.081 0.826 18227 6707 1 19 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.935 -0.885 18227 6708 1 19 . 1 1 60 60 HIS H H 60 8.425 8.425 7.123 1.302 18227 6709 1 19 . 1 1 61 61 HIS N N 61 118.329 118.329 123.523 -5.194 18227 6710 1 19 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.333 0.540 18227 6711 1 19 . 1 1 61 61 HIS C C 61 174.139 174.139 176.001 -1.862 18227 6712 1 19 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.804 -2.010 18227 6713 1 19 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.205 -0.935 18227 6714 1 19 . 1 1 61 61 HIS H H 61 8.573 8.573 8.656 -0.083 18227 6715 1 19 . 1 1 62 62 HIS N N 62 118.968 118.968 116.726 2.242 18227 6716 1 19 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.613 0.262 18227 6717 1 19 . 1 1 62 62 HIS C C 62 173.827 173.827 176.568 -2.741 18227 6718 1 19 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.662 -1.894 18227 6719 1 19 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.899 -0.631 18227 6720 1 19 . 1 1 62 62 HIS H H 62 8.662 8.662 8.327 0.335 18227 6721 1 19 . 1 1 63 63 HIS N N 63 118.949 118.949 121.010 -2.061 18227 6722 1 19 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.444 0.406 18227 6723 1 19 . 1 1 63 63 HIS C C 63 173.433 173.433 175.010 -1.577 18227 6724 1 19 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.502 1.287 18227 6725 1 19 . 1 1 63 63 HIS CB C 63 29.462 29.462 26.954 2.508 18227 6726 1 19 . 1 1 63 63 HIS H H 63 8.518 8.518 8.441 0.077 18227 6727 1 20 . 1 1 2 2 GLU N N 2 122.322 122.322 121.391 0.931 18227 6728 1 20 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.588 0.090 18227 6729 1 20 . 1 1 2 2 GLU C C 2 175.160 175.160 175.243 -0.083 18227 6730 1 20 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.608 0.485 18227 6731 1 20 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.989 -1.814 18227 6732 1 20 . 1 1 2 2 GLU H H 2 8.641 8.641 7.985 0.656 18227 6733 1 20 . 1 1 3 3 GLU N N 3 121.391 121.391 120.681 0.710 18227 6734 1 20 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.202 0.428 18227 6735 1 20 . 1 1 3 3 GLU C C 3 176.097 176.097 176.763 -0.666 18227 6736 1 20 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.192 -1.105 18227 6737 1 20 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.135 -0.951 18227 6738 1 20 . 1 1 3 3 GLU H H 3 8.448 8.448 8.449 -0.001 18227 6739 1 20 . 1 1 4 4 GLY N N 4 109.002 109.002 110.022 -1.020 18227 6740 1 20 . 1 1 4 4 GLY C C 4 174.407 174.407 173.755 0.652 18227 6741 1 20 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.223 0.222 18227 6742 1 20 . 1 1 4 4 GLY H H 4 8.333 8.333 8.645 -0.312 18227 6743 1 20 . 1 1 5 5 GLY N N 5 107.419 107.419 109.605 -2.186 18227 6744 1 20 . 1 1 5 5 GLY C C 5 173.914 173.914 172.781 1.133 18227 6745 1 20 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.712 0.778 18227 6746 1 20 . 1 1 5 5 GLY H H 5 8.120 8.120 8.230 -0.110 18227 6747 1 20 . 1 1 6 6 ASP N N 6 117.918 117.918 121.443 -3.525 18227 6748 1 20 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.562 0.344 18227 6749 1 20 . 1 1 6 6 ASP C C 6 175.114 175.114 175.517 -0.403 18227 6750 1 20 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.224 -0.105 18227 6751 1 20 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.574 -2.615 18227 6752 1 20 . 1 1 6 6 ASP H H 6 8.204 8.204 7.917 0.287 18227 6753 1 20 . 1 1 7 7 PHE N N 7 119.801 119.801 121.149 -1.348 18227 6754 1 20 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.276 0.434 18227 6755 1 20 . 1 1 7 7 PHE C C 7 175.789 175.789 176.722 -0.933 18227 6756 1 20 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.641 0.035 18227 6757 1 20 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.743 -0.574 18227 6758 1 20 . 1 1 7 7 PHE H H 7 8.072 8.072 8.141 -0.069 18227 6759 1 20 . 1 1 8 8 ASP N N 8 117.963 117.963 120.253 -2.290 18227 6760 1 20 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.430 0.347 18227 6761 1 20 . 1 1 8 8 ASP C C 8 174.919 174.919 176.302 -1.383 18227 6762 1 20 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.472 -0.892 18227 6763 1 20 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.225 -3.502 18227 6764 1 20 . 1 1 8 8 ASP H H 8 8.184 8.184 8.400 -0.216 18227 6765 1 20 . 1 1 9 9 ASN N N 9 117.736 117.736 117.594 0.142 18227 6766 1 20 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.311 0.479 18227 6767 1 20 . 1 1 9 9 ASN C C 9 174.974 174.974 175.273 -0.299 18227 6768 1 20 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.855 -0.119 18227 6769 1 20 . 1 1 9 9 ASN CB C 9 38.570 38.570 36.577 1.993 18227 6770 1 20 . 1 1 9 9 ASN H H 9 8.080 8.080 8.199 -0.119 18227 6771 1 20 . 1 1 10 10 TYR N N 10 119.580 119.580 121.827 -2.247 18227 6772 1 20 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.228 0.398 18227 6773 1 20 . 1 1 10 10 TYR C C 10 175.935 175.935 175.474 0.461 18227 6774 1 20 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.523 -0.744 18227 6775 1 20 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.576 0.938 18227 6776 1 20 . 1 1 10 10 TYR H H 10 7.869 7.869 8.358 -0.489 18227 6777 1 20 . 1 1 11 11 TYR N N 11 120.254 120.254 124.287 -4.033 18227 6778 1 20 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.965 0.654 18227 6779 1 20 . 1 1 11 11 TYR C C 11 176.666 176.666 174.248 2.418 18227 6780 1 20 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.594 0.262 18227 6781 1 20 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.527 1.961 18227 6782 1 20 . 1 1 11 11 TYR H H 11 7.906 7.906 9.922 -2.016 18227 6783 1 20 . 1 1 12 12 GLY N N 12 108.226 108.226 104.358 3.868 18227 6784 1 20 . 1 1 12 12 GLY C C 12 174.314 174.314 173.445 0.869 18227 6785 1 20 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.782 -0.002 18227 6786 1 20 . 1 1 12 12 GLY H H 12 7.817 7.817 7.904 -0.087 18227 6787 1 20 . 1 1 13 13 ALA N N 13 122.970 122.970 123.286 -0.316 18227 6788 1 20 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.562 -0.092 18227 6789 1 20 . 1 1 13 13 ALA C C 13 178.137 178.137 177.089 1.048 18227 6790 1 20 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.004 0.446 18227 6791 1 20 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.822 -1.139 18227 6792 1 20 . 1 1 13 13 ALA H H 13 7.913 7.913 8.066 -0.153 18227 6793 1 20 . 1 1 14 14 ASP N N 14 116.374 116.374 116.629 -0.255 18227 6794 1 20 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.501 0.374 18227 6795 1 20 . 1 1 14 14 ASP C C 14 175.450 175.450 177.057 -1.607 18227 6796 1 20 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.603 -0.963 18227 6797 1 20 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.609 -2.747 18227 6798 1 20 . 1 1 14 14 ASP H H 14 8.348 8.348 8.181 0.167 18227 6799 1 20 . 1 1 15 15 ASN N N 15 118.423 118.423 119.635 -1.212 18227 6800 1 20 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.268 0.602 18227 6801 1 20 . 1 1 15 15 ASN C C 15 176.054 176.054 175.866 0.188 18227 6802 1 20 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.079 -1.651 18227 6803 1 20 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.163 0.520 18227 6804 1 20 . 1 1 15 15 ASN H H 15 8.272 8.272 8.843 -0.571 18227 6805 1 20 . 1 1 16 16 GLN N N 16 120.129 120.129 113.826 6.303 18227 6806 1 20 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.404 0.012 18227 6807 1 20 . 1 1 16 16 GLN C C 16 177.337 177.337 175.985 1.352 18227 6808 1 20 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.697 1.559 18227 6809 1 20 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.509 0.275 18227 6810 1 20 . 1 1 16 16 GLN H H 16 8.481 8.481 8.286 0.195 18227 6811 1 20 . 1 1 17 17 SER N N 17 115.051 115.051 116.081 -1.030 18227 6812 1 20 . 1 1 17 17 SER HA H 17 4.505 4.505 4.386 0.119 18227 6813 1 20 . 1 1 17 17 SER C C 17 175.596 175.596 175.767 -0.171 18227 6814 1 20 . 1 1 17 17 SER CA C 17 60.767 60.767 60.154 0.613 18227 6815 1 20 . 1 1 17 17 SER CB C 17 63.325 63.325 64.976 -1.651 18227 6816 1 20 . 1 1 17 17 SER H H 17 8.380 8.380 7.745 0.635 18227 6817 1 20 . 1 1 18 18 GLU N N 18 120.901 120.901 122.091 -1.190 18227 6818 1 20 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.039 0.420 18227 6819 1 20 . 1 1 18 18 GLU C C 18 177.867 177.867 177.388 0.479 18227 6820 1 20 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.352 -1.129 18227 6821 1 20 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.019 -0.954 18227 6822 1 20 . 1 1 18 18 GLU H H 18 8.233 8.233 8.677 -0.444 18227 6823 1 20 . 1 1 19 19 CYS N N 19 118.899 118.899 116.547 2.352 18227 6824 1 20 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.650 -0.174 18227 6825 1 20 . 1 1 19 19 CYS C C 19 175.896 175.896 175.860 0.036 18227 6826 1 20 . 1 1 19 19 CYS CA C 19 61.262 61.262 59.637 1.625 18227 6827 1 20 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.134 -1.075 18227 6828 1 20 . 1 1 19 19 CYS H H 19 8.245 8.245 8.105 0.140 18227 6829 1 20 . 1 1 20 20 GLU N N 20 120.324 120.324 121.153 -0.829 18227 6830 1 20 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.268 0.059 18227 6831 1 20 . 1 1 20 20 GLU C C 20 177.163 177.163 178.089 -0.926 18227 6832 1 20 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.239 1.133 18227 6833 1 20 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.459 -1.415 18227 6834 1 20 . 1 1 20 20 GLU H H 20 8.299 8.299 8.118 0.180 18227 6835 1 20 . 1 1 21 21 TYR N N 21 118.601 118.601 121.377 -2.776 18227 6836 1 20 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.268 0.337 18227 6837 1 20 . 1 1 21 21 TYR C C 21 177.166 177.166 176.956 0.210 18227 6838 1 20 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.921 -1.515 18227 6839 1 20 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.242 0.236 18227 6840 1 20 . 1 1 21 21 TYR H H 21 8.165 8.165 8.902 -0.737 18227 6841 1 20 . 1 1 22 22 THR N N 22 112.362 112.362 109.004 3.358 18227 6842 1 20 . 1 1 22 22 THR HA H 22 4.203 4.203 3.656 0.547 18227 6843 1 20 . 1 1 22 22 THR C C 22 176.226 176.226 175.475 0.751 18227 6844 1 20 . 1 1 22 22 THR CA C 22 64.825 64.825 63.936 0.889 18227 6845 1 20 . 1 1 22 22 THR CB C 22 69.471 69.471 68.654 0.817 18227 6846 1 20 . 1 1 22 22 THR H H 22 8.063 8.063 8.057 0.006 18227 6847 1 20 . 1 1 23 23 ASP N N 23 121.414 121.414 121.219 0.195 18227 6848 1 20 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.699 0.044 18227 6849 1 20 . 1 1 23 23 ASP C C 23 176.664 176.664 177.589 -0.925 18227 6850 1 20 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.093 -1.934 18227 6851 1 20 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.919 -4.444 18227 6852 1 20 . 1 1 23 23 ASP H H 23 8.355 8.355 7.974 0.381 18227 6853 1 20 . 1 1 24 24 TRP N N 24 121.858 121.858 122.620 -0.762 18227 6854 1 20 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.056 0.584 18227 6855 1 20 . 1 1 24 24 TRP C C 24 178.311 178.311 177.521 0.790 18227 6856 1 20 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.944 -1.300 18227 6857 1 20 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.421 -0.678 18227 6858 1 20 . 1 1 24 24 TRP H H 24 8.363 8.363 8.787 -0.424 18227 6859 1 20 . 1 1 25 25 LYS N N 25 120.099 120.099 117.415 2.684 18227 6860 1 20 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.277 1.799 18227 6861 1 20 . 1 1 25 25 LYS C C 25 177.946 177.946 177.930 0.016 18227 6862 1 20 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.175 -0.041 18227 6863 1 20 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.749 0.521 18227 6864 1 20 . 1 1 25 25 LYS H H 25 8.291 8.291 7.512 0.779 18227 6865 1 20 . 1 1 26 26 SER N N 26 113.558 113.558 111.220 2.338 18227 6866 1 20 . 1 1 26 26 SER HA H 26 4.541 4.541 4.387 0.154 18227 6867 1 20 . 1 1 26 26 SER C C 26 175.212 175.212 175.551 -0.339 18227 6868 1 20 . 1 1 26 26 SER CA C 26 59.813 59.813 59.708 0.105 18227 6869 1 20 . 1 1 26 26 SER CB C 26 63.672 63.672 64.396 -0.724 18227 6870 1 20 . 1 1 26 26 SER H H 26 8.088 8.088 8.086 0.002 18227 6871 1 20 . 1 1 27 27 SER N N 27 116.456 116.456 117.376 -0.920 18227 6872 1 20 . 1 1 27 27 SER HA H 27 4.534 4.534 4.536 -0.002 18227 6873 1 20 . 1 1 27 27 SER C C 27 175.216 175.216 175.379 -0.163 18227 6874 1 20 . 1 1 27 27 SER CA C 27 60.042 60.042 58.554 1.488 18227 6875 1 20 . 1 1 27 27 SER CB C 27 63.782 63.782 62.857 0.925 18227 6876 1 20 . 1 1 27 27 SER H H 27 8.025 8.025 8.424 -0.399 18227 6877 1 20 . 1 1 28 28 GLY N N 28 108.769 108.769 107.869 0.900 18227 6878 1 20 . 1 1 28 28 GLY C C 28 174.198 174.198 172.765 1.433 18227 6879 1 20 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.846 1.029 18227 6880 1 20 . 1 1 28 28 GLY H H 28 8.051 8.051 7.620 0.431 18227 6881 1 20 . 1 1 29 29 ALA N N 29 121.719 121.719 121.284 0.435 18227 6882 1 20 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.501 -0.090 18227 6883 1 20 . 1 1 29 29 ALA C C 29 177.554 177.554 176.497 1.057 18227 6884 1 20 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.211 -0.126 18227 6885 1 20 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.875 -0.101 18227 6886 1 20 . 1 1 29 29 ALA H H 29 7.749 7.749 7.657 0.092 18227 6887 1 20 . 1 1 30 30 LEU N N 30 118.220 118.220 113.238 4.982 18227 6888 1 20 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.490 0.056 18227 6889 1 20 . 1 1 30 30 LEU C C 30 176.978 176.978 177.711 -0.733 18227 6890 1 20 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.704 -0.037 18227 6891 1 20 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.994 0.762 18227 6892 1 20 . 1 1 30 30 LEU H H 30 7.660 7.660 7.650 0.010 18227 6893 1 20 . 1 1 31 31 ILE N N 31 118.934 118.934 120.040 -1.106 18227 6894 1 20 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.193 0.192 18227 6895 1 20 . 1 1 31 31 ILE C C 31 175.025 175.025 174.935 0.090 18227 6896 1 20 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.744 -3.068 18227 6897 1 20 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.541 2.030 18227 6898 1 20 . 1 1 31 31 ILE H H 31 7.446 7.446 8.179 -0.733 18227 6899 1 20 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.288 0.191 18227 6900 1 20 . 1 1 32 32 PRO C C 32 177.601 177.601 177.774 -0.173 18227 6901 1 20 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.726 -0.406 18227 6902 1 20 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.623 0.612 18227 6903 1 20 . 1 1 33 33 ALA N N 33 118.822 118.822 121.604 -2.782 18227 6904 1 20 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.116 0.251 18227 6905 1 20 . 1 1 33 33 ALA C C 33 179.269 179.269 179.429 -0.160 18227 6906 1 20 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.012 -0.195 18227 6907 1 20 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.364 -0.472 18227 6908 1 20 . 1 1 33 33 ALA H H 33 7.293 7.293 7.425 -0.132 18227 6909 1 20 . 1 1 34 34 ILE N N 34 116.953 116.953 119.671 -2.718 18227 6910 1 20 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.617 0.473 18227 6911 1 20 . 1 1 34 34 ILE C C 34 177.061 177.061 177.852 -0.791 18227 6912 1 20 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.201 -1.216 18227 6913 1 20 . 1 1 34 34 ILE CB C 34 38.119 38.119 38.004 0.115 18227 6914 1 20 . 1 1 34 34 ILE H H 34 7.766 7.766 7.930 -0.164 18227 6915 1 20 . 1 1 35 35 TYR N N 35 118.432 118.432 119.537 -1.105 18227 6916 1 20 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.962 0.406 18227 6917 1 20 . 1 1 35 35 TYR C C 35 178.052 178.052 178.228 -0.176 18227 6918 1 20 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.498 -1.376 18227 6919 1 20 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.350 -0.414 18227 6920 1 20 . 1 1 35 35 TYR H H 35 7.988 7.988 8.018 -0.030 18227 6921 1 20 . 1 1 36 36 MET N N 36 117.042 117.042 117.484 -0.442 18227 6922 1 20 . 1 1 36 36 MET HA H 36 4.534 4.534 4.163 0.371 18227 6923 1 20 . 1 1 36 36 MET C C 36 177.734 177.734 178.698 -0.964 18227 6924 1 20 . 1 1 36 36 MET CA C 36 58.272 58.272 58.080 0.192 18227 6925 1 20 . 1 1 36 36 MET CB C 36 31.979 31.979 31.887 0.092 18227 6926 1 20 . 1 1 36 36 MET H H 36 7.934 7.934 8.009 -0.075 18227 6927 1 20 . 1 1 37 37 LEU N N 37 120.539 120.539 119.789 0.750 18227 6928 1 20 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.046 0.297 18227 6929 1 20 . 1 1 37 37 LEU C C 37 178.746 178.746 178.659 0.087 18227 6930 1 20 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.947 0.766 18227 6931 1 20 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.984 0.054 18227 6932 1 20 . 1 1 37 37 LEU H H 37 8.013 8.013 7.882 0.131 18227 6933 1 20 . 1 1 38 38 VAL N N 38 117.729 117.729 116.018 1.711 18227 6934 1 20 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.889 -0.112 18227 6935 1 20 . 1 1 38 38 VAL C C 38 179.009 179.009 177.391 1.618 18227 6936 1 20 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.973 2.226 18227 6937 1 20 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.928 -0.263 18227 6938 1 20 . 1 1 38 38 VAL H H 38 8.360 8.360 8.308 0.052 18227 6939 1 20 . 1 1 39 39 PHE N N 39 120.549 120.549 122.859 -2.310 18227 6940 1 20 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.511 -0.086 18227 6941 1 20 . 1 1 39 39 PHE C C 39 179.129 179.129 176.855 2.274 18227 6942 1 20 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.342 0.180 18227 6943 1 20 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.303 -1.200 18227 6944 1 20 . 1 1 39 39 PHE H H 39 8.225 8.225 8.291 -0.066 18227 6945 1 20 . 1 1 40 40 LEU N N 40 122.778 122.778 115.846 6.932 18227 6946 1 20 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.438 -0.271 18227 6947 1 20 . 1 1 40 40 LEU C C 40 180.673 180.673 176.860 3.813 18227 6948 1 20 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.153 1.485 18227 6949 1 20 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.079 1.085 18227 6950 1 20 . 1 1 40 40 LEU H H 40 8.874 8.874 8.440 0.434 18227 6951 1 20 . 1 1 41 41 LEU N N 41 122.144 122.144 119.532 2.612 18227 6952 1 20 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.444 -0.208 18227 6953 1 20 . 1 1 41 41 LEU C C 41 180.709 180.709 178.347 2.362 18227 6954 1 20 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.603 1.867 18227 6955 1 20 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.855 -1.077 18227 6956 1 20 . 1 1 41 41 LEU H H 41 9.193 9.193 7.501 1.692 18227 6957 1 20 . 1 1 42 42 GLY N N 42 107.124 107.124 102.524 4.600 18227 6958 1 20 . 1 1 42 42 GLY C C 42 176.537 176.537 174.640 1.897 18227 6959 1 20 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.804 0.929 18227 6960 1 20 . 1 1 42 42 GLY H H 42 8.755 8.755 7.782 0.973 18227 6961 1 20 . 1 1 43 43 THR N N 43 113.411 113.411 113.935 -0.524 18227 6962 1 20 . 1 1 43 43 THR HA H 43 4.299 4.299 4.377 -0.078 18227 6963 1 20 . 1 1 43 43 THR C C 43 176.797 176.797 173.537 3.260 18227 6964 1 20 . 1 1 43 43 THR CA C 43 64.990 64.990 61.107 3.883 18227 6965 1 20 . 1 1 43 43 THR CB C 43 69.731 69.731 68.173 1.558 18227 6966 1 20 . 1 1 43 43 THR H H 43 8.179 8.179 7.676 0.503 18227 6967 1 20 . 1 1 44 44 THR N N 44 114.667 114.667 116.744 -2.077 18227 6968 1 20 . 1 1 44 44 THR HA H 44 4.366 4.366 4.504 -0.138 18227 6969 1 20 . 1 1 44 44 THR C C 44 176.375 176.375 174.789 1.586 18227 6970 1 20 . 1 1 44 44 THR CA C 44 64.833 64.833 64.228 0.605 18227 6971 1 20 . 1 1 44 44 THR CB C 44 69.988 69.988 70.994 -1.006 18227 6972 1 20 . 1 1 44 44 THR H H 44 8.026 8.026 7.459 0.567 18227 6973 1 20 . 1 1 45 45 GLY N N 45 109.336 109.336 107.311 2.025 18227 6974 1 20 . 1 1 45 45 GLY C C 45 174.924 174.924 174.115 0.809 18227 6975 1 20 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.206 1.521 18227 6976 1 20 . 1 1 45 45 GLY H H 45 8.261 8.261 7.915 0.346 18227 6977 1 20 . 1 1 46 46 ASN N N 46 117.547 117.547 119.208 -1.661 18227 6978 1 20 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.851 -0.112 18227 6979 1 20 . 1 1 46 46 ASN C C 46 176.815 176.815 176.759 0.056 18227 6980 1 20 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.454 0.896 18227 6981 1 20 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.471 -0.978 18227 6982 1 20 . 1 1 46 46 ASN H H 46 8.083 8.083 7.992 0.091 18227 6983 1 20 . 1 1 47 47 GLY N N 47 106.960 106.960 109.640 -2.680 18227 6984 1 20 . 1 1 47 47 GLY C C 47 175.001 175.001 175.879 -0.878 18227 6985 1 20 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.237 -0.250 18227 6986 1 20 . 1 1 47 47 GLY H H 47 8.318 8.318 7.690 0.628 18227 6987 1 20 . 1 1 48 48 LEU N N 48 120.991 120.991 120.980 0.011 18227 6988 1 20 . 1 1 48 48 LEU HA H 48 4.489 4.489 3.945 0.544 18227 6989 1 20 . 1 1 48 48 LEU C C 48 180.375 180.375 179.188 1.187 18227 6990 1 20 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.952 0.296 18227 6991 1 20 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.901 0.146 18227 6992 1 20 . 1 1 48 48 LEU H H 48 7.999 7.999 7.818 0.181 18227 6993 1 20 . 1 1 49 49 VAL N N 49 121.040 121.040 118.636 2.404 18227 6994 1 20 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.554 0.279 18227 6995 1 20 . 1 1 49 49 VAL C C 49 178.016 178.016 178.141 -0.125 18227 6996 1 20 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.124 0.093 18227 6997 1 20 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.826 0.114 18227 6998 1 20 . 1 1 49 49 VAL H H 49 7.989 7.989 7.947 0.042 18227 6999 1 20 . 1 1 50 50 LEU N N 50 119.986 119.986 118.865 1.121 18227 7000 1 20 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.931 0.266 18227 7001 1 20 . 1 1 50 50 LEU C C 50 178.823 178.823 179.385 -0.562 18227 7002 1 20 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.571 1.119 18227 7003 1 20 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.239 0.426 18227 7004 1 20 . 1 1 50 50 LEU H H 50 7.926 7.926 8.142 -0.216 18227 7005 1 20 . 1 1 51 51 TRP N N 51 117.842 117.842 121.043 -3.201 18227 7006 1 20 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.394 0.293 18227 7007 1 20 . 1 1 51 51 TRP C C 51 178.729 178.729 177.221 1.508 18227 7008 1 20 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.512 -0.132 18227 7009 1 20 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.193 -0.652 18227 7010 1 20 . 1 1 51 51 TRP H H 51 8.525 8.525 8.632 -0.107 18227 7011 1 20 . 1 1 52 52 THR N N 52 114.722 114.722 115.852 -1.130 18227 7012 1 20 . 1 1 52 52 THR HA H 52 4.007 4.007 3.813 0.194 18227 7013 1 20 . 1 1 52 52 THR C C 52 176.228 176.228 176.928 -0.700 18227 7014 1 20 . 1 1 52 52 THR CA C 52 67.517 67.517 66.998 0.519 18227 7015 1 20 . 1 1 52 52 THR CB C 52 69.051 69.051 69.372 -0.321 18227 7016 1 20 . 1 1 52 52 THR H H 52 8.248 8.248 8.312 -0.064 18227 7017 1 20 . 1 1 53 53 VAL N N 53 123.008 123.008 122.192 0.816 18227 7018 1 20 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.634 0.114 18227 7019 1 20 . 1 1 53 53 VAL C C 53 178.474 178.474 177.200 1.274 18227 7020 1 20 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.558 0.897 18227 7021 1 20 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.694 0.146 18227 7022 1 20 . 1 1 53 53 VAL H H 53 8.634 8.634 8.899 -0.265 18227 7023 1 20 . 1 1 54 54 PHE N N 54 119.554 119.554 117.242 2.312 18227 7024 1 20 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.229 0.181 18227 7025 1 20 . 1 1 54 54 PHE C C 54 179.173 179.173 176.451 2.722 18227 7026 1 20 . 1 1 54 54 PHE CA C 54 61.087 61.087 59.852 1.235 18227 7027 1 20 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.568 0.222 18227 7028 1 20 . 1 1 54 54 PHE H H 54 8.860 8.860 7.587 1.273 18227 7029 1 20 . 1 1 55 55 ARG N N 55 118.355 118.355 114.584 3.771 18227 7030 1 20 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.139 -0.019 18227 7031 1 20 . 1 1 55 55 ARG C C 55 178.719 178.719 175.809 2.910 18227 7032 1 20 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.132 2.844 18227 7033 1 20 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.384 -0.306 18227 7034 1 20 . 1 1 55 55 ARG H H 55 8.296 8.296 7.833 0.463 18227 7035 1 20 . 1 1 56 56 LYS N N 56 119.698 119.698 116.443 3.255 18227 7036 1 20 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.188 0.105 18227 7037 1 20 . 1 1 56 56 LYS C C 56 178.742 178.742 176.614 2.128 18227 7038 1 20 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.295 1.756 18227 7039 1 20 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.361 -1.590 18227 7040 1 20 . 1 1 56 56 LYS H H 56 8.377 8.377 7.477 0.900 18227 7041 1 20 . 1 1 57 57 LYS N N 57 119.104 119.104 117.942 1.162 18227 7042 1 20 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.231 0.114 18227 7043 1 20 . 1 1 57 57 LYS C C 57 178.311 178.311 177.097 1.214 18227 7044 1 20 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.411 0.721 18227 7045 1 20 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.538 -0.848 18227 7046 1 20 . 1 1 57 57 LYS H H 57 8.610 8.610 7.541 1.069 18227 7047 1 20 . 1 1 58 58 GLY N N 58 106.684 106.684 106.248 0.436 18227 7048 1 20 . 1 1 58 58 GLY C C 58 174.451 174.451 175.176 -0.725 18227 7049 1 20 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.799 0.114 18227 7050 1 20 . 1 1 58 58 GLY H H 58 8.154 8.154 7.471 0.683 18227 7051 1 20 . 1 1 59 59 HIS N N 59 116.995 116.995 118.638 -1.643 18227 7052 1 20 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.299 0.476 18227 7053 1 20 . 1 1 59 59 HIS C C 59 174.529 174.529 175.998 -1.469 18227 7054 1 20 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.653 -1.513 18227 7055 1 20 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.882 -1.255 18227 7056 1 20 . 1 1 59 59 HIS H H 59 8.106 8.106 8.380 -0.274 18227 7057 1 20 . 1 1 60 60 HIS N N 60 117.887 117.887 115.060 2.827 18227 7058 1 20 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.245 0.601 18227 7059 1 20 . 1 1 60 60 HIS C C 60 174.247 174.247 175.492 -1.245 18227 7060 1 20 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.521 -1.614 18227 7061 1 20 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.325 -1.275 18227 7062 1 20 . 1 1 60 60 HIS H H 60 8.425 8.425 7.920 0.504 18227 7063 1 20 . 1 1 61 61 HIS N N 61 118.329 118.329 114.375 3.954 18227 7064 1 20 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.432 0.441 18227 7065 1 20 . 1 1 61 61 HIS C C 61 174.139 174.139 174.351 -0.212 18227 7066 1 20 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.299 -0.505 18227 7067 1 20 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.740 -1.470 18227 7068 1 20 . 1 1 61 61 HIS H H 61 8.573 8.573 8.652 -0.078 18227 7069 1 20 . 1 1 62 62 HIS N N 62 118.968 118.968 116.252 2.716 18227 7070 1 20 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.603 0.272 18227 7071 1 20 . 1 1 62 62 HIS C C 62 173.827 173.827 174.849 -1.022 18227 7072 1 20 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.214 -0.446 18227 7073 1 20 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.217 -1.949 18227 7074 1 20 . 1 1 62 62 HIS H H 62 8.662 8.662 8.214 0.448 18227 7075 1 20 . 1 1 63 63 HIS N N 63 118.949 118.949 117.931 1.018 18227 7076 1 20 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.650 0.200 18227 7077 1 20 . 1 1 63 63 HIS C C 63 173.433 173.433 174.350 -0.917 18227 7078 1 20 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.898 -0.109 18227 7079 1 20 . 1 1 63 63 HIS CB C 63 29.462 29.462 30.027 -0.565 18227 7080 1 20 . 1 1 63 63 HIS H H 63 8.518 8.518 8.261 0.256 18227 7081 1 21 . 1 1 2 2 GLU N N 2 122.322 122.322 122.365 -0.043 18227 7082 1 21 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.624 0.054 18227 7083 1 21 . 1 1 2 2 GLU C C 2 175.160 175.160 176.335 -1.175 18227 7084 1 21 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.834 0.259 18227 7085 1 21 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.155 -0.980 18227 7086 1 21 . 1 1 2 2 GLU H H 2 8.641 8.641 8.318 0.323 18227 7087 1 21 . 1 1 3 3 GLU N N 3 121.391 121.391 120.955 0.436 18227 7088 1 21 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.260 0.370 18227 7089 1 21 . 1 1 3 3 GLU C C 3 176.097 176.097 176.646 -0.549 18227 7090 1 21 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.776 -0.689 18227 7091 1 21 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.441 -1.256 18227 7092 1 21 . 1 1 3 3 GLU H H 3 8.448 8.448 8.511 -0.063 18227 7093 1 21 . 1 1 4 4 GLY N N 4 109.002 109.002 107.922 1.080 18227 7094 1 21 . 1 1 4 4 GLY C C 4 174.407 174.407 173.853 0.554 18227 7095 1 21 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.298 1.147 18227 7096 1 21 . 1 1 4 4 GLY H H 4 8.333 8.333 8.152 0.181 18227 7097 1 21 . 1 1 5 5 GLY N N 5 107.419 107.419 110.045 -2.626 18227 7098 1 21 . 1 1 5 5 GLY C C 5 173.914 173.914 173.738 0.176 18227 7099 1 21 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.802 -0.312 18227 7100 1 21 . 1 1 5 5 GLY H H 5 8.120 8.120 8.280 -0.160 18227 7101 1 21 . 1 1 6 6 ASP N N 6 117.918 117.918 116.834 1.084 18227 7102 1 21 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.394 0.512 18227 7103 1 21 . 1 1 6 6 ASP C C 6 175.114 175.114 174.897 0.217 18227 7104 1 21 . 1 1 6 6 ASP CA C 6 53.119 53.119 52.787 0.332 18227 7105 1 21 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.740 -2.781 18227 7106 1 21 . 1 1 6 6 ASP H H 6 8.204 8.204 7.785 0.419 18227 7107 1 21 . 1 1 7 7 PHE N N 7 119.801 119.801 118.561 1.240 18227 7108 1 21 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.279 0.431 18227 7109 1 21 . 1 1 7 7 PHE C C 7 175.789 175.789 174.911 0.878 18227 7110 1 21 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.320 -0.644 18227 7111 1 21 . 1 1 7 7 PHE CB C 7 39.169 39.169 37.898 1.271 18227 7112 1 21 . 1 1 7 7 PHE H H 7 8.072 8.072 8.036 0.036 18227 7113 1 21 . 1 1 8 8 ASP N N 8 117.963 117.963 118.296 -0.333 18227 7114 1 21 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.811 -0.034 18227 7115 1 21 . 1 1 8 8 ASP C C 8 174.919 174.919 176.346 -1.427 18227 7116 1 21 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.901 -0.321 18227 7117 1 21 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.944 -4.221 18227 7118 1 21 . 1 1 8 8 ASP H H 8 8.184 8.184 8.239 -0.055 18227 7119 1 21 . 1 1 9 9 ASN N N 9 117.736 117.736 119.028 -1.292 18227 7120 1 21 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.432 0.358 18227 7121 1 21 . 1 1 9 9 ASN C C 9 174.974 174.974 175.948 -0.974 18227 7122 1 21 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.844 -1.108 18227 7123 1 21 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.214 0.356 18227 7124 1 21 . 1 1 9 9 ASN H H 9 8.080 8.080 8.327 -0.247 18227 7125 1 21 . 1 1 10 10 TYR N N 10 119.580 119.580 120.458 -0.878 18227 7126 1 21 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.215 0.411 18227 7127 1 21 . 1 1 10 10 TYR C C 10 175.935 175.935 176.507 -0.572 18227 7128 1 21 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.907 -1.128 18227 7129 1 21 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.351 0.163 18227 7130 1 21 . 1 1 10 10 TYR H H 10 7.869 7.869 8.142 -0.273 18227 7131 1 21 . 1 1 11 11 TYR N N 11 120.254 120.254 119.886 0.368 18227 7132 1 21 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.338 0.281 18227 7133 1 21 . 1 1 11 11 TYR C C 11 176.666 176.666 174.917 1.749 18227 7134 1 21 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.836 0.020 18227 7135 1 21 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.098 1.390 18227 7136 1 21 . 1 1 11 11 TYR H H 11 7.906 7.906 8.797 -0.891 18227 7137 1 21 . 1 1 12 12 GLY N N 12 108.226 108.226 103.873 4.353 18227 7138 1 21 . 1 1 12 12 GLY C C 12 174.314 174.314 173.463 0.851 18227 7139 1 21 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.418 0.362 18227 7140 1 21 . 1 1 12 12 GLY H H 12 7.817 7.817 7.809 0.008 18227 7141 1 21 . 1 1 13 13 ALA N N 13 122.970 122.970 121.917 1.053 18227 7142 1 21 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.619 -0.149 18227 7143 1 21 . 1 1 13 13 ALA C C 13 178.137 178.137 177.159 0.978 18227 7144 1 21 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.027 0.423 18227 7145 1 21 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.098 -1.415 18227 7146 1 21 . 1 1 13 13 ALA H H 13 7.913 7.913 8.347 -0.434 18227 7147 1 21 . 1 1 14 14 ASP N N 14 116.374 116.374 117.987 -1.613 18227 7148 1 21 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.672 0.203 18227 7149 1 21 . 1 1 14 14 ASP C C 14 175.450 175.450 177.228 -1.778 18227 7150 1 21 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.987 -1.347 18227 7151 1 21 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.108 -3.246 18227 7152 1 21 . 1 1 14 14 ASP H H 14 8.348 8.348 8.095 0.253 18227 7153 1 21 . 1 1 15 15 ASN N N 15 118.423 118.423 117.769 0.654 18227 7154 1 21 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.657 0.213 18227 7155 1 21 . 1 1 15 15 ASN C C 15 176.054 176.054 176.357 -0.303 18227 7156 1 21 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.571 -1.143 18227 7157 1 21 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.167 0.515 18227 7158 1 21 . 1 1 15 15 ASN H H 15 8.272 8.272 8.640 -0.368 18227 7159 1 21 . 1 1 16 16 GLN N N 16 120.129 120.129 114.669 5.460 18227 7160 1 21 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.171 0.245 18227 7161 1 21 . 1 1 16 16 GLN C C 16 177.337 177.337 176.434 0.903 18227 7162 1 21 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.697 0.559 18227 7163 1 21 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.648 0.136 18227 7164 1 21 . 1 1 16 16 GLN H H 16 8.481 8.481 8.347 0.134 18227 7165 1 21 . 1 1 17 17 SER N N 17 115.051 115.051 116.401 -1.350 18227 7166 1 21 . 1 1 17 17 SER HA H 17 4.505 4.505 4.357 0.148 18227 7167 1 21 . 1 1 17 17 SER C C 17 175.596 175.596 176.154 -0.558 18227 7168 1 21 . 1 1 17 17 SER CA C 17 60.767 60.767 60.932 -0.165 18227 7169 1 21 . 1 1 17 17 SER CB C 17 63.325 63.325 64.546 -1.221 18227 7170 1 21 . 1 1 17 17 SER H H 17 8.380 8.380 8.176 0.204 18227 7171 1 21 . 1 1 18 18 GLU N N 18 120.901 120.901 120.620 0.281 18227 7172 1 21 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.113 0.346 18227 7173 1 21 . 1 1 18 18 GLU C C 18 177.867 177.867 176.923 0.944 18227 7174 1 21 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.008 -0.785 18227 7175 1 21 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.796 -0.731 18227 7176 1 21 . 1 1 18 18 GLU H H 18 8.233 8.233 8.250 -0.017 18227 7177 1 21 . 1 1 19 19 CYS N N 19 118.899 118.899 115.467 3.432 18227 7178 1 21 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.559 -0.083 18227 7179 1 21 . 1 1 19 19 CYS C C 19 175.896 175.896 175.994 -0.098 18227 7180 1 21 . 1 1 19 19 CYS CA C 19 61.262 61.262 59.656 1.606 18227 7181 1 21 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.972 -1.913 18227 7182 1 21 . 1 1 19 19 CYS H H 19 8.245 8.245 8.056 0.189 18227 7183 1 21 . 1 1 20 20 GLU N N 20 120.324 120.324 120.724 -0.400 18227 7184 1 21 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.246 0.081 18227 7185 1 21 . 1 1 20 20 GLU C C 20 177.163 177.163 177.745 -0.582 18227 7186 1 21 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.627 0.745 18227 7187 1 21 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.712 -0.668 18227 7188 1 21 . 1 1 20 20 GLU H H 20 8.299 8.299 7.798 0.501 18227 7189 1 21 . 1 1 21 21 TYR N N 21 118.601 118.601 122.019 -3.418 18227 7190 1 21 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.493 0.112 18227 7191 1 21 . 1 1 21 21 TYR C C 21 177.166 177.166 176.231 0.935 18227 7192 1 21 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.862 -1.456 18227 7193 1 21 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.658 -0.180 18227 7194 1 21 . 1 1 21 21 TYR H H 21 8.165 8.165 8.714 -0.549 18227 7195 1 21 . 1 1 22 22 THR N N 22 112.362 112.362 112.645 -0.283 18227 7196 1 21 . 1 1 22 22 THR HA H 22 4.203 4.203 3.642 0.561 18227 7197 1 21 . 1 1 22 22 THR C C 22 176.226 176.226 174.199 2.027 18227 7198 1 21 . 1 1 22 22 THR CA C 22 64.825 64.825 63.770 1.055 18227 7199 1 21 . 1 1 22 22 THR CB C 22 69.471 69.471 67.709 1.762 18227 7200 1 21 . 1 1 22 22 THR H H 22 8.063 8.063 8.351 -0.288 18227 7201 1 21 . 1 1 23 23 ASP N N 23 121.414 121.414 119.903 1.511 18227 7202 1 21 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.734 0.009 18227 7203 1 21 . 1 1 23 23 ASP C C 23 176.664 176.664 176.212 0.452 18227 7204 1 21 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.444 -0.285 18227 7205 1 21 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.180 -4.705 18227 7206 1 21 . 1 1 23 23 ASP H H 23 8.355 8.355 7.622 0.733 18227 7207 1 21 . 1 1 24 24 TRP N N 24 121.858 121.858 123.947 -2.089 18227 7208 1 21 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.163 0.477 18227 7209 1 21 . 1 1 24 24 TRP C C 24 178.311 178.311 176.840 1.471 18227 7210 1 21 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.453 -1.809 18227 7211 1 21 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.537 -0.794 18227 7212 1 21 . 1 1 24 24 TRP H H 24 8.363 8.363 8.910 -0.547 18227 7213 1 21 . 1 1 25 25 LYS N N 25 120.099 120.099 117.044 3.055 18227 7214 1 21 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.519 1.557 18227 7215 1 21 . 1 1 25 25 LYS C C 25 177.946 177.946 177.642 0.304 18227 7216 1 21 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.381 -0.247 18227 7217 1 21 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.802 0.468 18227 7218 1 21 . 1 1 25 25 LYS H H 25 8.291 8.291 7.339 0.952 18227 7219 1 21 . 1 1 26 26 SER N N 26 113.558 113.558 112.695 0.863 18227 7220 1 21 . 1 1 26 26 SER HA H 26 4.541 4.541 4.333 0.208 18227 7221 1 21 . 1 1 26 26 SER C C 26 175.212 175.212 176.220 -1.008 18227 7222 1 21 . 1 1 26 26 SER CA C 26 59.813 59.813 60.205 -0.392 18227 7223 1 21 . 1 1 26 26 SER CB C 26 63.672 63.672 64.514 -0.842 18227 7224 1 21 . 1 1 26 26 SER H H 26 8.088 8.088 7.413 0.675 18227 7225 1 21 . 1 1 27 27 SER N N 27 116.456 116.456 118.664 -2.208 18227 7226 1 21 . 1 1 27 27 SER HA H 27 4.534 4.534 4.502 0.032 18227 7227 1 21 . 1 1 27 27 SER C C 27 175.216 175.216 175.598 -0.382 18227 7228 1 21 . 1 1 27 27 SER CA C 27 60.042 60.042 59.222 0.820 18227 7229 1 21 . 1 1 27 27 SER CB C 27 63.782 63.782 62.821 0.961 18227 7230 1 21 . 1 1 27 27 SER H H 27 8.025 8.025 8.631 -0.606 18227 7231 1 21 . 1 1 28 28 GLY N N 28 108.769 108.769 108.218 0.551 18227 7232 1 21 . 1 1 28 28 GLY C C 28 174.198 174.198 173.892 0.306 18227 7233 1 21 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.879 0.996 18227 7234 1 21 . 1 1 28 28 GLY H H 28 8.051 8.051 7.564 0.487 18227 7235 1 21 . 1 1 29 29 ALA N N 29 121.719 121.719 122.388 -0.669 18227 7236 1 21 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.503 -0.092 18227 7237 1 21 . 1 1 29 29 ALA C C 29 177.554 177.554 176.810 0.744 18227 7238 1 21 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.531 0.554 18227 7239 1 21 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.216 0.558 18227 7240 1 21 . 1 1 29 29 ALA H H 29 7.749 7.749 7.685 0.064 18227 7241 1 21 . 1 1 30 30 LEU N N 30 118.220 118.220 111.608 6.612 18227 7242 1 21 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.516 0.030 18227 7243 1 21 . 1 1 30 30 LEU C C 30 176.978 176.978 177.556 -0.578 18227 7244 1 21 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.951 -0.284 18227 7245 1 21 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.114 0.642 18227 7246 1 21 . 1 1 30 30 LEU H H 30 7.660 7.660 7.473 0.187 18227 7247 1 21 . 1 1 31 31 ILE N N 31 118.934 118.934 122.987 -4.053 18227 7248 1 21 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.037 0.348 18227 7249 1 21 . 1 1 31 31 ILE C C 31 175.025 175.025 175.208 -0.183 18227 7250 1 21 . 1 1 31 31 ILE CA C 31 62.676 62.676 67.728 -5.052 18227 7251 1 21 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.541 2.030 18227 7252 1 21 . 1 1 31 31 ILE H H 31 7.446 7.446 7.779 -0.333 18227 7253 1 21 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.187 0.292 18227 7254 1 21 . 1 1 32 32 PRO C C 32 177.601 177.601 178.378 -0.777 18227 7255 1 21 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.155 -0.835 18227 7256 1 21 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.839 0.396 18227 7257 1 21 . 1 1 33 33 ALA N N 33 118.822 118.822 121.943 -3.121 18227 7258 1 21 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.014 0.353 18227 7259 1 21 . 1 1 33 33 ALA C C 33 179.269 179.269 179.962 -0.693 18227 7260 1 21 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.270 -0.453 18227 7261 1 21 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.168 -0.276 18227 7262 1 21 . 1 1 33 33 ALA H H 33 7.293 7.293 8.125 -0.832 18227 7263 1 21 . 1 1 34 34 ILE N N 34 116.953 116.953 118.960 -2.007 18227 7264 1 21 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.632 0.458 18227 7265 1 21 . 1 1 34 34 ILE C C 34 177.061 177.061 178.394 -1.333 18227 7266 1 21 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.124 -1.139 18227 7267 1 21 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.087 1.032 18227 7268 1 21 . 1 1 34 34 ILE H H 34 7.766 7.766 7.679 0.087 18227 7269 1 21 . 1 1 35 35 TYR N N 35 118.432 118.432 119.647 -1.215 18227 7270 1 21 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.012 0.356 18227 7271 1 21 . 1 1 35 35 TYR C C 35 178.052 178.052 178.416 -0.364 18227 7272 1 21 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.617 -1.495 18227 7273 1 21 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.290 -0.354 18227 7274 1 21 . 1 1 35 35 TYR H H 35 7.988 7.988 8.113 -0.125 18227 7275 1 21 . 1 1 36 36 MET N N 36 117.042 117.042 118.047 -1.005 18227 7276 1 21 . 1 1 36 36 MET HA H 36 4.534 4.534 4.194 0.340 18227 7277 1 21 . 1 1 36 36 MET C C 36 177.734 177.734 178.557 -0.823 18227 7278 1 21 . 1 1 36 36 MET CA C 36 58.272 58.272 57.958 0.314 18227 7279 1 21 . 1 1 36 36 MET CB C 36 31.979 31.979 32.052 -0.073 18227 7280 1 21 . 1 1 36 36 MET H H 36 7.934 7.934 8.736 -0.802 18227 7281 1 21 . 1 1 37 37 LEU N N 37 120.539 120.539 120.083 0.456 18227 7282 1 21 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.052 0.291 18227 7283 1 21 . 1 1 37 37 LEU C C 37 178.746 178.746 178.595 0.151 18227 7284 1 21 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.113 0.599 18227 7285 1 21 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.108 -0.070 18227 7286 1 21 . 1 1 37 37 LEU H H 37 8.013 8.013 8.344 -0.331 18227 7287 1 21 . 1 1 38 38 VAL N N 38 117.729 117.729 116.824 0.905 18227 7288 1 21 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.873 -0.096 18227 7289 1 21 . 1 1 38 38 VAL C C 38 179.009 179.009 176.982 2.027 18227 7290 1 21 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.655 2.544 18227 7291 1 21 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.334 -0.669 18227 7292 1 21 . 1 1 38 38 VAL H H 38 8.360 8.360 7.932 0.428 18227 7293 1 21 . 1 1 39 39 PHE N N 39 120.549 120.549 122.686 -2.137 18227 7294 1 21 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.474 -0.049 18227 7295 1 21 . 1 1 39 39 PHE C C 39 179.129 179.129 176.616 2.513 18227 7296 1 21 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.392 0.130 18227 7297 1 21 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.867 -1.764 18227 7298 1 21 . 1 1 39 39 PHE H H 39 8.225 8.225 8.107 0.118 18227 7299 1 21 . 1 1 40 40 LEU N N 40 122.778 122.778 116.476 6.302 18227 7300 1 21 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.360 -0.193 18227 7301 1 21 . 1 1 40 40 LEU C C 40 180.673 180.673 176.723 3.950 18227 7302 1 21 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.120 1.518 18227 7303 1 21 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.035 1.129 18227 7304 1 21 . 1 1 40 40 LEU H H 40 8.874 8.874 8.336 0.538 18227 7305 1 21 . 1 1 41 41 LEU N N 41 122.144 122.144 119.051 3.093 18227 7306 1 21 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.444 -0.208 18227 7307 1 21 . 1 1 41 41 LEU C C 41 180.709 180.709 178.463 2.246 18227 7308 1 21 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.574 1.896 18227 7309 1 21 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.918 -1.140 18227 7310 1 21 . 1 1 41 41 LEU H H 41 9.193 9.193 7.588 1.605 18227 7311 1 21 . 1 1 42 42 GLY N N 42 107.124 107.124 104.365 2.759 18227 7312 1 21 . 1 1 42 42 GLY C C 42 176.537 176.537 174.545 1.992 18227 7313 1 21 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.784 0.949 18227 7314 1 21 . 1 1 42 42 GLY H H 42 8.755 8.755 7.660 1.095 18227 7315 1 21 . 1 1 43 43 THR N N 43 113.411 113.411 115.560 -2.149 18227 7316 1 21 . 1 1 43 43 THR HA H 43 4.299 4.299 4.515 -0.216 18227 7317 1 21 . 1 1 43 43 THR C C 43 176.797 176.797 173.916 2.881 18227 7318 1 21 . 1 1 43 43 THR CA C 43 64.990 64.990 60.848 4.142 18227 7319 1 21 . 1 1 43 43 THR CB C 43 69.731 69.731 68.758 0.973 18227 7320 1 21 . 1 1 43 43 THR H H 43 8.179 8.179 7.714 0.465 18227 7321 1 21 . 1 1 44 44 THR N N 44 114.667 114.667 116.625 -1.958 18227 7322 1 21 . 1 1 44 44 THR HA H 44 4.366 4.366 4.491 -0.125 18227 7323 1 21 . 1 1 44 44 THR C C 44 176.375 176.375 175.267 1.108 18227 7324 1 21 . 1 1 44 44 THR CA C 44 64.833 64.833 64.450 0.383 18227 7325 1 21 . 1 1 44 44 THR CB C 44 69.988 69.988 70.651 -0.663 18227 7326 1 21 . 1 1 44 44 THR H H 44 8.026 8.026 7.752 0.274 18227 7327 1 21 . 1 1 45 45 GLY N N 45 109.336 109.336 109.849 -0.513 18227 7328 1 21 . 1 1 45 45 GLY C C 45 174.924 174.924 174.913 0.011 18227 7329 1 21 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.449 1.278 18227 7330 1 21 . 1 1 45 45 GLY H H 45 8.261 8.261 8.062 0.199 18227 7331 1 21 . 1 1 46 46 ASN N N 46 117.547 117.547 120.800 -3.253 18227 7332 1 21 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.390 0.349 18227 7333 1 21 . 1 1 46 46 ASN C C 46 176.815 176.815 177.442 -0.627 18227 7334 1 21 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.996 -0.646 18227 7335 1 21 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.837 0.655 18227 7336 1 21 . 1 1 46 46 ASN H H 46 8.083 8.083 8.497 -0.414 18227 7337 1 21 . 1 1 47 47 GLY N N 47 106.960 106.960 106.893 0.067 18227 7338 1 21 . 1 1 47 47 GLY C C 47 175.001 175.001 176.263 -1.262 18227 7339 1 21 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.699 0.288 18227 7340 1 21 . 1 1 47 47 GLY H H 47 8.318 8.318 8.453 -0.135 18227 7341 1 21 . 1 1 48 48 LEU N N 48 120.991 120.991 122.685 -1.694 18227 7342 1 21 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.078 0.411 18227 7343 1 21 . 1 1 48 48 LEU C C 48 180.375 180.375 178.743 1.632 18227 7344 1 21 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.702 0.546 18227 7345 1 21 . 1 1 48 48 LEU CB C 48 42.047 42.047 42.102 -0.055 18227 7346 1 21 . 1 1 48 48 LEU H H 48 7.999 7.999 7.538 0.461 18227 7347 1 21 . 1 1 49 49 VAL N N 49 121.040 121.040 119.784 1.256 18227 7348 1 21 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.676 0.157 18227 7349 1 21 . 1 1 49 49 VAL C C 49 178.016 178.016 177.915 0.101 18227 7350 1 21 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.254 -0.037 18227 7351 1 21 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.515 0.425 18227 7352 1 21 . 1 1 49 49 VAL H H 49 7.989 7.989 8.623 -0.634 18227 7353 1 21 . 1 1 50 50 LEU N N 50 119.986 119.986 119.420 0.566 18227 7354 1 21 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.031 0.166 18227 7355 1 21 . 1 1 50 50 LEU C C 50 178.823 178.823 179.416 -0.593 18227 7356 1 21 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.075 0.615 18227 7357 1 21 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.625 0.040 18227 7358 1 21 . 1 1 50 50 LEU H H 50 7.926 7.926 7.915 0.011 18227 7359 1 21 . 1 1 51 51 TRP N N 51 117.842 117.842 121.379 -3.537 18227 7360 1 21 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.405 0.282 18227 7361 1 21 . 1 1 51 51 TRP C C 51 178.729 178.729 178.350 0.379 18227 7362 1 21 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.178 -0.798 18227 7363 1 21 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.971 -0.430 18227 7364 1 21 . 1 1 51 51 TRP H H 51 8.525 8.525 8.265 0.260 18227 7365 1 21 . 1 1 52 52 THR N N 52 114.722 114.722 117.592 -2.870 18227 7366 1 21 . 1 1 52 52 THR HA H 52 4.007 4.007 3.542 0.465 18227 7367 1 21 . 1 1 52 52 THR C C 52 176.228 176.228 176.611 -0.383 18227 7368 1 21 . 1 1 52 52 THR CA C 52 67.517 67.517 67.466 0.051 18227 7369 1 21 . 1 1 52 52 THR CB C 52 69.051 69.051 69.116 -0.065 18227 7370 1 21 . 1 1 52 52 THR H H 52 8.248 8.248 8.785 -0.537 18227 7371 1 21 . 1 1 53 53 VAL N N 53 123.008 123.008 120.627 2.381 18227 7372 1 21 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.602 0.146 18227 7373 1 21 . 1 1 53 53 VAL C C 53 178.474 178.474 177.341 1.133 18227 7374 1 21 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.964 0.491 18227 7375 1 21 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.334 0.506 18227 7376 1 21 . 1 1 53 53 VAL H H 53 8.634 8.634 8.735 -0.101 18227 7377 1 21 . 1 1 54 54 PHE N N 54 119.554 119.554 118.997 0.557 18227 7378 1 21 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.033 0.377 18227 7379 1 21 . 1 1 54 54 PHE C C 54 179.173 179.173 177.950 1.223 18227 7380 1 21 . 1 1 54 54 PHE CA C 54 61.087 61.087 62.488 -1.401 18227 7381 1 21 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.679 0.111 18227 7382 1 21 . 1 1 54 54 PHE H H 54 8.860 8.860 7.732 1.128 18227 7383 1 21 . 1 1 55 55 ARG N N 55 118.355 118.355 113.404 4.951 18227 7384 1 21 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.129 -0.009 18227 7385 1 21 . 1 1 55 55 ARG C C 55 178.719 178.719 176.384 2.335 18227 7386 1 21 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.536 1.440 18227 7387 1 21 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.956 0.122 18227 7388 1 21 . 1 1 55 55 ARG H H 55 8.296 8.296 7.463 0.833 18227 7389 1 21 . 1 1 56 56 LYS N N 56 119.698 119.698 115.177 4.521 18227 7390 1 21 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.329 -0.036 18227 7391 1 21 . 1 1 56 56 LYS C C 56 178.742 178.742 177.245 1.497 18227 7392 1 21 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.545 1.506 18227 7393 1 21 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.370 -0.599 18227 7394 1 21 . 1 1 56 56 LYS H H 56 8.377 8.377 7.704 0.673 18227 7395 1 21 . 1 1 57 57 LYS N N 57 119.104 119.104 119.482 -0.378 18227 7396 1 21 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.142 0.203 18227 7397 1 21 . 1 1 57 57 LYS C C 57 178.311 178.311 178.243 0.068 18227 7398 1 21 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.185 1.947 18227 7399 1 21 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.449 -0.759 18227 7400 1 21 . 1 1 57 57 LYS H H 57 8.610 8.610 8.312 0.298 18227 7401 1 21 . 1 1 58 58 GLY N N 58 106.684 106.684 107.936 -1.252 18227 7402 1 21 . 1 1 58 58 GLY C C 58 174.451 174.451 174.999 -0.548 18227 7403 1 21 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.371 -0.458 18227 7404 1 21 . 1 1 58 58 GLY H H 58 8.154 8.154 7.957 0.197 18227 7405 1 21 . 1 1 59 59 HIS N N 59 116.995 116.995 120.331 -3.336 18227 7406 1 21 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.099 0.676 18227 7407 1 21 . 1 1 59 59 HIS C C 59 174.529 174.529 175.188 -0.659 18227 7408 1 21 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.209 -2.070 18227 7409 1 21 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.590 -0.963 18227 7410 1 21 . 1 1 59 59 HIS H H 59 8.106 8.106 7.839 0.267 18227 7411 1 21 . 1 1 60 60 HIS N N 60 117.887 117.887 115.493 2.394 18227 7412 1 21 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.079 0.767 18227 7413 1 21 . 1 1 60 60 HIS C C 60 174.247 174.247 174.881 -0.634 18227 7414 1 21 . 1 1 60 60 HIS CA C 60 55.907 55.907 53.792 2.115 18227 7415 1 21 . 1 1 60 60 HIS CB C 60 29.050 29.050 27.159 1.891 18227 7416 1 21 . 1 1 60 60 HIS H H 60 8.425 8.425 7.297 1.128 18227 7417 1 21 . 1 1 61 61 HIS N N 61 118.329 118.329 121.152 -2.823 18227 7418 1 21 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.060 0.813 18227 7419 1 21 . 1 1 61 61 HIS C C 61 174.139 174.139 176.165 -2.026 18227 7420 1 21 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.971 -2.177 18227 7421 1 21 . 1 1 61 61 HIS CB C 61 29.270 29.270 29.220 0.050 18227 7422 1 21 . 1 1 61 61 HIS H H 61 8.573 8.573 7.584 0.989 18227 7423 1 21 . 1 1 62 62 HIS N N 62 118.968 118.968 117.957 1.011 18227 7424 1 21 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.490 0.385 18227 7425 1 21 . 1 1 62 62 HIS C C 62 173.827 173.827 176.514 -2.687 18227 7426 1 21 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.981 -2.213 18227 7427 1 21 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.242 -0.974 18227 7428 1 21 . 1 1 62 62 HIS H H 62 8.662 8.662 8.303 0.359 18227 7429 1 21 . 1 1 63 63 HIS N N 63 118.949 118.949 119.320 -0.371 18227 7430 1 21 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.913 -0.063 18227 7431 1 21 . 1 1 63 63 HIS C C 63 173.433 173.433 175.431 -1.998 18227 7432 1 21 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.875 0.914 18227 7433 1 21 . 1 1 63 63 HIS CB C 63 29.462 29.462 26.805 2.657 18227 7434 1 21 . 1 1 63 63 HIS H H 63 8.518 8.518 8.017 0.501 18227 7435 1 22 . 1 1 2 2 GLU N N 2 122.322 122.322 121.838 0.484 18227 7436 1 22 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.508 0.170 18227 7437 1 22 . 1 1 2 2 GLU C C 2 175.160 175.160 175.137 0.023 18227 7438 1 22 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.357 -0.264 18227 7439 1 22 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.480 -1.305 18227 7440 1 22 . 1 1 2 2 GLU H H 2 8.641 8.641 8.253 0.388 18227 7441 1 22 . 1 1 3 3 GLU N N 3 121.391 121.391 118.668 2.723 18227 7442 1 22 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.188 0.442 18227 7443 1 22 . 1 1 3 3 GLU C C 3 176.097 176.097 175.204 0.893 18227 7444 1 22 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.792 -0.705 18227 7445 1 22 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.939 -0.755 18227 7446 1 22 . 1 1 3 3 GLU H H 3 8.448 8.448 8.228 0.220 18227 7447 1 22 . 1 1 4 4 GLY N N 4 109.002 109.002 105.780 3.222 18227 7448 1 22 . 1 1 4 4 GLY C C 4 174.407 174.407 174.563 -0.156 18227 7449 1 22 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.957 -0.512 18227 7450 1 22 . 1 1 4 4 GLY H H 4 8.333 8.333 9.208 -0.875 18227 7451 1 22 . 1 1 5 5 GLY N N 5 107.419 107.419 107.743 -0.324 18227 7452 1 22 . 1 1 5 5 GLY C C 5 173.914 173.914 173.657 0.257 18227 7453 1 22 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.921 -0.431 18227 7454 1 22 . 1 1 5 5 GLY H H 5 8.120 8.120 9.152 -1.032 18227 7455 1 22 . 1 1 6 6 ASP N N 6 117.918 117.918 120.094 -2.176 18227 7456 1 22 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.610 0.296 18227 7457 1 22 . 1 1 6 6 ASP C C 6 175.114 175.114 175.820 -0.706 18227 7458 1 22 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.301 -0.182 18227 7459 1 22 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.438 -2.479 18227 7460 1 22 . 1 1 6 6 ASP H H 6 8.204 8.204 8.021 0.183 18227 7461 1 22 . 1 1 7 7 PHE N N 7 119.801 119.801 120.959 -1.158 18227 7462 1 22 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.418 0.292 18227 7463 1 22 . 1 1 7 7 PHE C C 7 175.789 175.789 176.596 -0.807 18227 7464 1 22 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.730 -0.054 18227 7465 1 22 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.669 -0.500 18227 7466 1 22 . 1 1 7 7 PHE H H 7 8.072 8.072 7.975 0.097 18227 7467 1 22 . 1 1 8 8 ASP N N 8 117.963 117.963 121.192 -3.229 18227 7468 1 22 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.691 0.086 18227 7469 1 22 . 1 1 8 8 ASP C C 8 174.919 174.919 176.537 -1.618 18227 7470 1 22 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.693 -1.113 18227 7471 1 22 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.005 -3.283 18227 7472 1 22 . 1 1 8 8 ASP H H 8 8.184 8.184 8.917 -0.733 18227 7473 1 22 . 1 1 9 9 ASN N N 9 117.736 117.736 116.368 1.368 18227 7474 1 22 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.090 0.700 18227 7475 1 22 . 1 1 9 9 ASN C C 9 174.974 174.974 174.703 0.271 18227 7476 1 22 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.081 -1.345 18227 7477 1 22 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.313 1.257 18227 7478 1 22 . 1 1 9 9 ASN H H 9 8.080 8.080 8.336 -0.256 18227 7479 1 22 . 1 1 10 10 TYR N N 10 119.580 119.580 118.758 0.822 18227 7480 1 22 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.048 0.578 18227 7481 1 22 . 1 1 10 10 TYR C C 10 175.935 175.935 176.150 -0.215 18227 7482 1 22 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.734 -0.955 18227 7483 1 22 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.436 0.078 18227 7484 1 22 . 1 1 10 10 TYR H H 10 7.869 7.869 7.195 0.674 18227 7485 1 22 . 1 1 11 11 TYR N N 11 120.254 120.254 116.480 3.774 18227 7486 1 22 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.167 0.452 18227 7487 1 22 . 1 1 11 11 TYR C C 11 176.666 176.666 175.756 0.910 18227 7488 1 22 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.207 -0.351 18227 7489 1 22 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.218 2.270 18227 7490 1 22 . 1 1 11 11 TYR H H 11 7.906 7.906 8.330 -0.424 18227 7491 1 22 . 1 1 12 12 GLY N N 12 108.226 108.226 102.603 5.623 18227 7492 1 22 . 1 1 12 12 GLY C C 12 174.314 174.314 172.803 1.511 18227 7493 1 22 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.984 -0.204 18227 7494 1 22 . 1 1 12 12 GLY H H 12 7.817 7.817 7.762 0.055 18227 7495 1 22 . 1 1 13 13 ALA N N 13 122.970 122.970 121.774 1.196 18227 7496 1 22 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.404 0.066 18227 7497 1 22 . 1 1 13 13 ALA C C 13 178.137 178.137 176.545 1.592 18227 7498 1 22 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.741 0.709 18227 7499 1 22 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.511 -0.827 18227 7500 1 22 . 1 1 13 13 ALA H H 13 7.913 7.913 7.887 0.026 18227 7501 1 22 . 1 1 14 14 ASP N N 14 116.374 116.374 119.577 -3.203 18227 7502 1 22 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.562 0.313 18227 7503 1 22 . 1 1 14 14 ASP C C 14 175.450 175.450 177.654 -2.204 18227 7504 1 22 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.721 -2.081 18227 7505 1 22 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.418 -2.556 18227 7506 1 22 . 1 1 14 14 ASP H H 14 8.348 8.348 8.162 0.186 18227 7507 1 22 . 1 1 15 15 ASN N N 15 118.423 118.423 117.692 0.731 18227 7508 1 22 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.489 0.381 18227 7509 1 22 . 1 1 15 15 ASN C C 15 176.054 176.054 176.647 -0.593 18227 7510 1 22 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.029 -1.601 18227 7511 1 22 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.659 0.023 18227 7512 1 22 . 1 1 15 15 ASN H H 15 8.272 8.272 8.751 -0.479 18227 7513 1 22 . 1 1 16 16 GLN N N 16 120.129 120.129 115.148 4.981 18227 7514 1 22 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.291 0.125 18227 7515 1 22 . 1 1 16 16 GLN C C 16 177.337 177.337 176.406 0.931 18227 7516 1 22 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.469 0.787 18227 7517 1 22 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.889 -0.105 18227 7518 1 22 . 1 1 16 16 GLN H H 16 8.481 8.481 8.316 0.165 18227 7519 1 22 . 1 1 17 17 SER N N 17 115.051 115.051 116.574 -1.523 18227 7520 1 22 . 1 1 17 17 SER HA H 17 4.505 4.505 4.454 0.051 18227 7521 1 22 . 1 1 17 17 SER C C 17 175.596 175.596 176.863 -1.267 18227 7522 1 22 . 1 1 17 17 SER CA C 17 60.767 60.767 60.482 0.285 18227 7523 1 22 . 1 1 17 17 SER CB C 17 63.325 63.325 64.294 -0.969 18227 7524 1 22 . 1 1 17 17 SER H H 17 8.380 8.380 8.004 0.376 18227 7525 1 22 . 1 1 18 18 GLU N N 18 120.901 120.901 123.339 -2.438 18227 7526 1 22 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.991 0.468 18227 7527 1 22 . 1 1 18 18 GLU C C 18 177.867 177.867 178.420 -0.553 18227 7528 1 22 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.325 -1.102 18227 7529 1 22 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.296 -1.231 18227 7530 1 22 . 1 1 18 18 GLU H H 18 8.233 8.233 8.543 -0.310 18227 7531 1 22 . 1 1 19 19 CYS N N 19 118.899 118.899 115.835 3.064 18227 7532 1 22 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.204 0.272 18227 7533 1 22 . 1 1 19 19 CYS C C 19 175.896 175.896 176.744 -0.848 18227 7534 1 22 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.365 -1.103 18227 7535 1 22 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.152 -0.093 18227 7536 1 22 . 1 1 19 19 CYS H H 19 8.245 8.245 8.493 -0.248 18227 7537 1 22 . 1 1 20 20 GLU N N 20 120.324 120.324 119.842 0.482 18227 7538 1 22 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.301 0.026 18227 7539 1 22 . 1 1 20 20 GLU C C 20 177.163 177.163 178.209 -1.046 18227 7540 1 22 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.778 0.594 18227 7541 1 22 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.044 -1.000 18227 7542 1 22 . 1 1 20 20 GLU H H 20 8.299 8.299 8.591 -0.292 18227 7543 1 22 . 1 1 21 21 TYR N N 21 118.601 118.601 122.054 -3.453 18227 7544 1 22 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.220 0.385 18227 7545 1 22 . 1 1 21 21 TYR C C 21 177.166 177.166 177.315 -0.149 18227 7546 1 22 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.406 -2.000 18227 7547 1 22 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.585 -0.107 18227 7548 1 22 . 1 1 21 21 TYR H H 21 8.165 8.165 8.457 -0.292 18227 7549 1 22 . 1 1 22 22 THR N N 22 112.362 112.362 111.023 1.339 18227 7550 1 22 . 1 1 22 22 THR HA H 22 4.203 4.203 4.084 0.119 18227 7551 1 22 . 1 1 22 22 THR C C 22 176.226 176.226 176.448 -0.222 18227 7552 1 22 . 1 1 22 22 THR CA C 22 64.825 64.825 66.015 -1.190 18227 7553 1 22 . 1 1 22 22 THR CB C 22 69.471 69.471 68.469 1.002 18227 7554 1 22 . 1 1 22 22 THR H H 22 8.063 8.063 8.116 -0.053 18227 7555 1 22 . 1 1 23 23 ASP N N 23 121.414 121.414 122.965 -1.551 18227 7556 1 22 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.632 0.111 18227 7557 1 22 . 1 1 23 23 ASP C C 23 176.664 176.664 177.741 -1.077 18227 7558 1 22 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.625 -2.466 18227 7559 1 22 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.339 -3.864 18227 7560 1 22 . 1 1 23 23 ASP H H 23 8.355 8.355 7.697 0.658 18227 7561 1 22 . 1 1 24 24 TRP N N 24 121.858 121.858 122.847 -0.989 18227 7562 1 22 . 1 1 24 24 TRP HA H 24 4.640 4.640 3.976 0.664 18227 7563 1 22 . 1 1 24 24 TRP C C 24 178.311 178.311 177.664 0.647 18227 7564 1 22 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.161 -1.517 18227 7565 1 22 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.266 -0.523 18227 7566 1 22 . 1 1 24 24 TRP H H 24 8.363 8.363 8.674 -0.311 18227 7567 1 22 . 1 1 25 25 LYS N N 25 120.099 120.099 117.856 2.243 18227 7568 1 22 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.262 1.814 18227 7569 1 22 . 1 1 25 25 LYS C C 25 177.946 177.946 177.727 0.219 18227 7570 1 22 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.287 -0.153 18227 7571 1 22 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.866 0.404 18227 7572 1 22 . 1 1 25 25 LYS H H 25 8.291 8.291 7.512 0.779 18227 7573 1 22 . 1 1 26 26 SER N N 26 113.558 113.558 113.831 -0.273 18227 7574 1 22 . 1 1 26 26 SER HA H 26 4.541 4.541 4.323 0.218 18227 7575 1 22 . 1 1 26 26 SER C C 26 175.212 175.212 176.104 -0.892 18227 7576 1 22 . 1 1 26 26 SER CA C 26 59.813 59.813 60.896 -1.083 18227 7577 1 22 . 1 1 26 26 SER CB C 26 63.672 63.672 63.890 -0.218 18227 7578 1 22 . 1 1 26 26 SER H H 26 8.088 8.088 7.941 0.147 18227 7579 1 22 . 1 1 27 27 SER N N 27 116.456 116.456 118.704 -2.248 18227 7580 1 22 . 1 1 27 27 SER HA H 27 4.534 4.534 4.367 0.167 18227 7581 1 22 . 1 1 27 27 SER C C 27 175.216 175.216 176.148 -0.932 18227 7582 1 22 . 1 1 27 27 SER CA C 27 60.042 60.042 60.169 -0.126 18227 7583 1 22 . 1 1 27 27 SER CB C 27 63.782 63.782 62.765 1.017 18227 7584 1 22 . 1 1 27 27 SER H H 27 8.025 8.025 8.587 -0.562 18227 7585 1 22 . 1 1 28 28 GLY N N 28 108.769 108.769 108.748 0.021 18227 7586 1 22 . 1 1 28 28 GLY C C 28 174.198 174.198 174.137 0.061 18227 7587 1 22 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.763 1.112 18227 7588 1 22 . 1 1 28 28 GLY H H 28 8.051 8.051 8.014 0.037 18227 7589 1 22 . 1 1 29 29 ALA N N 29 121.719 121.719 123.683 -1.964 18227 7590 1 22 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.442 -0.031 18227 7591 1 22 . 1 1 29 29 ALA C C 29 177.554 177.554 176.462 1.092 18227 7592 1 22 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.403 0.682 18227 7593 1 22 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.796 0.978 18227 7594 1 22 . 1 1 29 29 ALA H H 29 7.749 7.749 7.501 0.248 18227 7595 1 22 . 1 1 30 30 LEU N N 30 118.220 118.220 112.132 6.088 18227 7596 1 22 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.491 0.055 18227 7597 1 22 . 1 1 30 30 LEU C C 30 176.978 176.978 177.040 -0.062 18227 7598 1 22 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.878 -0.211 18227 7599 1 22 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.216 0.540 18227 7600 1 22 . 1 1 30 30 LEU H H 30 7.660 7.660 7.217 0.443 18227 7601 1 22 . 1 1 31 31 ILE N N 31 118.934 118.934 122.260 -3.326 18227 7602 1 22 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.123 0.262 18227 7603 1 22 . 1 1 31 31 ILE C C 31 175.025 175.025 174.751 0.274 18227 7604 1 22 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.450 -3.774 18227 7605 1 22 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.043 1.528 18227 7606 1 22 . 1 1 31 31 ILE H H 31 7.446 7.446 7.533 -0.087 18227 7607 1 22 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.243 0.236 18227 7608 1 22 . 1 1 32 32 PRO C C 32 177.601 177.601 178.037 -0.436 18227 7609 1 22 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.568 -0.248 18227 7610 1 22 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.858 0.377 18227 7611 1 22 . 1 1 33 33 ALA N N 33 118.822 118.822 121.858 -3.036 18227 7612 1 22 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.086 0.281 18227 7613 1 22 . 1 1 33 33 ALA C C 33 179.269 179.269 179.709 -0.440 18227 7614 1 22 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.199 -0.382 18227 7615 1 22 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.213 -0.321 18227 7616 1 22 . 1 1 33 33 ALA H H 33 7.293 7.293 7.462 -0.169 18227 7617 1 22 . 1 1 34 34 ILE N N 34 116.953 116.953 118.949 -1.996 18227 7618 1 22 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.684 0.406 18227 7619 1 22 . 1 1 34 34 ILE C C 34 177.061 177.061 178.489 -1.428 18227 7620 1 22 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.950 -0.965 18227 7621 1 22 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.094 1.025 18227 7622 1 22 . 1 1 34 34 ILE H H 34 7.766 7.766 7.950 -0.184 18227 7623 1 22 . 1 1 35 35 TYR N N 35 118.432 118.432 119.798 -1.366 18227 7624 1 22 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.087 0.281 18227 7625 1 22 . 1 1 35 35 TYR C C 35 178.052 178.052 178.341 -0.289 18227 7626 1 22 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.544 -1.422 18227 7627 1 22 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.324 -0.388 18227 7628 1 22 . 1 1 35 35 TYR H H 35 7.988 7.988 7.758 0.230 18227 7629 1 22 . 1 1 36 36 MET N N 36 117.042 117.042 118.164 -1.122 18227 7630 1 22 . 1 1 36 36 MET HA H 36 4.534 4.534 4.196 0.338 18227 7631 1 22 . 1 1 36 36 MET C C 36 177.734 177.734 178.510 -0.776 18227 7632 1 22 . 1 1 36 36 MET CA C 36 58.272 58.272 57.727 0.545 18227 7633 1 22 . 1 1 36 36 MET CB C 36 31.979 31.979 32.060 -0.081 18227 7634 1 22 . 1 1 36 36 MET H H 36 7.934 7.934 8.748 -0.814 18227 7635 1 22 . 1 1 37 37 LEU N N 37 120.539 120.539 120.188 0.351 18227 7636 1 22 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.047 0.296 18227 7637 1 22 . 1 1 37 37 LEU C C 37 178.746 178.746 178.409 0.337 18227 7638 1 22 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.313 0.399 18227 7639 1 22 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.086 -0.048 18227 7640 1 22 . 1 1 37 37 LEU H H 37 8.013 8.013 8.659 -0.646 18227 7641 1 22 . 1 1 38 38 VAL N N 38 117.729 117.729 116.624 1.105 18227 7642 1 22 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.961 -0.184 18227 7643 1 22 . 1 1 38 38 VAL C C 38 179.009 179.009 176.232 2.777 18227 7644 1 22 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.546 2.653 18227 7645 1 22 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.041 -0.376 18227 7646 1 22 . 1 1 38 38 VAL H H 38 8.360 8.360 7.702 0.658 18227 7647 1 22 . 1 1 39 39 PHE N N 39 120.549 120.549 121.878 -1.329 18227 7648 1 22 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.417 0.008 18227 7649 1 22 . 1 1 39 39 PHE C C 39 179.129 179.129 176.895 2.234 18227 7650 1 22 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.222 0.300 18227 7651 1 22 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.765 -1.662 18227 7652 1 22 . 1 1 39 39 PHE H H 39 8.225 8.225 8.073 0.152 18227 7653 1 22 . 1 1 40 40 LEU N N 40 122.778 122.778 113.327 9.451 18227 7654 1 22 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.439 -0.272 18227 7655 1 22 . 1 1 40 40 LEU C C 40 180.673 180.673 177.086 3.587 18227 7656 1 22 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.794 1.844 18227 7657 1 22 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.591 0.573 18227 7658 1 22 . 1 1 40 40 LEU H H 40 8.874 8.874 8.257 0.617 18227 7659 1 22 . 1 1 41 41 LEU N N 41 122.144 122.144 116.762 5.382 18227 7660 1 22 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.590 -0.354 18227 7661 1 22 . 1 1 41 41 LEU C C 41 180.709 180.709 177.322 3.387 18227 7662 1 22 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.788 3.682 18227 7663 1 22 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.205 -1.427 18227 7664 1 22 . 1 1 41 41 LEU H H 41 9.193 9.193 7.634 1.559 18227 7665 1 22 . 1 1 42 42 GLY N N 42 107.124 107.124 106.549 0.575 18227 7666 1 22 . 1 1 42 42 GLY C C 42 176.537 176.537 174.684 1.853 18227 7667 1 22 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.558 1.175 18227 7668 1 22 . 1 1 42 42 GLY H H 42 8.755 8.755 7.445 1.310 18227 7669 1 22 . 1 1 43 43 THR N N 43 113.411 113.411 112.535 0.876 18227 7670 1 22 . 1 1 43 43 THR HA H 43 4.299 4.299 4.406 -0.107 18227 7671 1 22 . 1 1 43 43 THR C C 43 176.797 176.797 174.259 2.538 18227 7672 1 22 . 1 1 43 43 THR CA C 43 64.990 64.990 62.513 2.477 18227 7673 1 22 . 1 1 43 43 THR CB C 43 69.731 69.731 69.491 0.240 18227 7674 1 22 . 1 1 43 43 THR H H 43 8.179 8.179 7.664 0.515 18227 7675 1 22 . 1 1 44 44 THR N N 44 114.667 114.667 115.932 -1.265 18227 7676 1 22 . 1 1 44 44 THR HA H 44 4.366 4.366 4.468 -0.102 18227 7677 1 22 . 1 1 44 44 THR C C 44 176.375 176.375 174.996 1.379 18227 7678 1 22 . 1 1 44 44 THR CA C 44 64.833 64.833 63.201 1.632 18227 7679 1 22 . 1 1 44 44 THR CB C 44 69.988 69.988 69.978 0.010 18227 7680 1 22 . 1 1 44 44 THR H H 44 8.026 8.026 7.819 0.207 18227 7681 1 22 . 1 1 45 45 GLY N N 45 109.336 109.336 108.619 0.717 18227 7682 1 22 . 1 1 45 45 GLY C C 45 174.924 174.924 173.686 1.238 18227 7683 1 22 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.520 1.207 18227 7684 1 22 . 1 1 45 45 GLY H H 45 8.261 8.261 8.398 -0.137 18227 7685 1 22 . 1 1 46 46 ASN N N 46 117.547 117.547 117.596 -0.049 18227 7686 1 22 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.773 -0.034 18227 7687 1 22 . 1 1 46 46 ASN C C 46 176.815 176.815 176.172 0.643 18227 7688 1 22 . 1 1 46 46 ASN CA C 46 55.350 55.350 53.820 1.530 18227 7689 1 22 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.863 -1.370 18227 7690 1 22 . 1 1 46 46 ASN H H 46 8.083 8.083 7.814 0.269 18227 7691 1 22 . 1 1 47 47 GLY N N 47 106.960 106.960 110.651 -3.691 18227 7692 1 22 . 1 1 47 47 GLY C C 47 175.001 175.001 176.233 -1.232 18227 7693 1 22 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.594 0.393 18227 7694 1 22 . 1 1 47 47 GLY H H 47 8.318 8.318 8.466 -0.148 18227 7695 1 22 . 1 1 48 48 LEU N N 48 120.991 120.991 121.717 -0.726 18227 7696 1 22 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.161 0.328 18227 7697 1 22 . 1 1 48 48 LEU C C 48 180.375 180.375 178.620 1.755 18227 7698 1 22 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.906 0.343 18227 7699 1 22 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.628 0.419 18227 7700 1 22 . 1 1 48 48 LEU H H 48 7.999 7.999 8.005 -0.006 18227 7701 1 22 . 1 1 49 49 VAL N N 49 121.040 121.040 117.924 3.116 18227 7702 1 22 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.718 0.115 18227 7703 1 22 . 1 1 49 49 VAL C C 49 178.016 178.016 178.554 -0.538 18227 7704 1 22 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.769 0.449 18227 7705 1 22 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.219 0.721 18227 7706 1 22 . 1 1 49 49 VAL H H 49 7.989 7.989 7.984 0.005 18227 7707 1 22 . 1 1 50 50 LEU N N 50 119.986 119.986 119.229 0.757 18227 7708 1 22 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.037 0.160 18227 7709 1 22 . 1 1 50 50 LEU C C 50 178.823 178.823 179.495 -0.672 18227 7710 1 22 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.995 0.695 18227 7711 1 22 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.537 0.128 18227 7712 1 22 . 1 1 50 50 LEU H H 50 7.926 7.926 7.713 0.213 18227 7713 1 22 . 1 1 51 51 TRP N N 51 117.842 117.842 120.710 -2.868 18227 7714 1 22 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.427 0.260 18227 7715 1 22 . 1 1 51 51 TRP C C 51 178.729 178.729 177.797 0.932 18227 7716 1 22 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.009 -0.629 18227 7717 1 22 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.811 -0.270 18227 7718 1 22 . 1 1 51 51 TRP H H 51 8.525 8.525 8.037 0.488 18227 7719 1 22 . 1 1 52 52 THR N N 52 114.722 114.722 116.104 -1.382 18227 7720 1 22 . 1 1 52 52 THR HA H 52 4.007 4.007 3.745 0.262 18227 7721 1 22 . 1 1 52 52 THR C C 52 176.228 176.228 177.199 -0.971 18227 7722 1 22 . 1 1 52 52 THR CA C 52 67.517 67.517 66.691 0.826 18227 7723 1 22 . 1 1 52 52 THR CB C 52 69.051 69.051 68.722 0.329 18227 7724 1 22 . 1 1 52 52 THR H H 52 8.248 8.248 8.613 -0.365 18227 7725 1 22 . 1 1 53 53 VAL N N 53 123.008 123.008 122.189 0.819 18227 7726 1 22 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.671 0.077 18227 7727 1 22 . 1 1 53 53 VAL C C 53 178.474 178.474 177.150 1.324 18227 7728 1 22 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.121 0.334 18227 7729 1 22 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.352 0.488 18227 7730 1 22 . 1 1 53 53 VAL H H 53 8.634 8.634 8.901 -0.267 18227 7731 1 22 . 1 1 54 54 PHE N N 54 119.554 119.554 118.131 1.423 18227 7732 1 22 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.107 0.303 18227 7733 1 22 . 1 1 54 54 PHE C C 54 179.173 179.173 176.970 2.203 18227 7734 1 22 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.680 -0.593 18227 7735 1 22 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.526 0.264 18227 7736 1 22 . 1 1 54 54 PHE H H 54 8.860 8.860 7.806 1.054 18227 7737 1 22 . 1 1 55 55 ARG N N 55 118.355 118.355 116.806 1.549 18227 7738 1 22 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.175 -0.055 18227 7739 1 22 . 1 1 55 55 ARG C C 55 178.719 178.719 176.784 1.935 18227 7740 1 22 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.349 1.627 18227 7741 1 22 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.543 -0.465 18227 7742 1 22 . 1 1 55 55 ARG H H 55 8.296 8.296 7.599 0.697 18227 7743 1 22 . 1 1 56 56 LYS N N 56 119.698 119.698 119.074 0.624 18227 7744 1 22 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.485 -0.192 18227 7745 1 22 . 1 1 56 56 LYS C C 56 178.742 178.742 177.759 0.983 18227 7746 1 22 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.932 1.119 18227 7747 1 22 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.810 -1.039 18227 7748 1 22 . 1 1 56 56 LYS H H 56 8.377 8.377 8.107 0.270 18227 7749 1 22 . 1 1 57 57 LYS N N 57 119.104 119.104 118.552 0.552 18227 7750 1 22 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.497 -0.152 18227 7751 1 22 . 1 1 57 57 LYS C C 57 178.311 178.311 178.122 0.189 18227 7752 1 22 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.994 0.138 18227 7753 1 22 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.531 0.159 18227 7754 1 22 . 1 1 57 57 LYS H H 57 8.610 8.610 8.334 0.276 18227 7755 1 22 . 1 1 58 58 GLY N N 58 106.684 106.684 107.819 -1.135 18227 7756 1 22 . 1 1 58 58 GLY C C 58 174.451 174.451 175.485 -1.034 18227 7757 1 22 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.331 -0.418 18227 7758 1 22 . 1 1 58 58 GLY H H 58 8.154 8.154 7.500 0.654 18227 7759 1 22 . 1 1 59 59 HIS N N 59 116.995 116.995 118.850 -1.855 18227 7760 1 22 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.248 0.527 18227 7761 1 22 . 1 1 59 59 HIS C C 59 174.529 174.529 175.108 -0.579 18227 7762 1 22 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.099 -1.960 18227 7763 1 22 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.715 -1.088 18227 7764 1 22 . 1 1 59 59 HIS H H 59 8.106 8.106 8.345 -0.239 18227 7765 1 22 . 1 1 60 60 HIS N N 60 117.887 117.887 115.819 2.068 18227 7766 1 22 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.644 0.202 18227 7767 1 22 . 1 1 60 60 HIS C C 60 174.247 174.247 175.341 -1.094 18227 7768 1 22 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.049 -1.142 18227 7769 1 22 . 1 1 60 60 HIS CB C 60 29.050 29.050 31.602 -2.551 18227 7770 1 22 . 1 1 60 60 HIS H H 60 8.425 8.425 7.525 0.900 18227 7771 1 22 . 1 1 61 61 HIS N N 61 118.329 118.329 115.666 2.663 18227 7772 1 22 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.198 0.675 18227 7773 1 22 . 1 1 61 61 HIS C C 61 174.139 174.139 177.159 -3.020 18227 7774 1 22 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.472 -1.678 18227 7775 1 22 . 1 1 61 61 HIS CB C 61 29.270 29.270 28.573 0.697 18227 7776 1 22 . 1 1 61 61 HIS H H 61 8.573 8.573 8.077 0.496 18227 7777 1 22 . 1 1 62 62 HIS N N 62 118.968 118.968 121.380 -2.412 18227 7778 1 22 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.516 0.359 18227 7779 1 22 . 1 1 62 62 HIS C C 62 173.827 173.827 176.867 -3.040 18227 7780 1 22 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.838 -2.070 18227 7781 1 22 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.126 0.142 18227 7782 1 22 . 1 1 62 62 HIS H H 62 8.662 8.662 9.693 -1.031 18227 7783 1 22 . 1 1 63 63 HIS N N 63 118.949 118.949 122.318 -3.369 18227 7784 1 22 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.437 0.413 18227 7785 1 22 . 1 1 63 63 HIS C C 63 173.433 173.433 174.334 -0.901 18227 7786 1 22 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.287 0.502 18227 7787 1 22 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.744 1.718 18227 7788 1 22 . 1 1 63 63 HIS H H 63 8.518 8.518 8.362 0.156 18227 7789 1 23 . 1 1 2 2 GLU N N 2 122.322 122.322 121.258 1.064 18227 7790 1 23 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.031 0.647 18227 7791 1 23 . 1 1 2 2 GLU C C 2 175.160 175.160 175.101 0.059 18227 7792 1 23 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.404 -1.311 18227 7793 1 23 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.778 -0.603 18227 7794 1 23 . 1 1 2 2 GLU H H 2 8.641 8.641 8.616 0.025 18227 7795 1 23 . 1 1 3 3 GLU N N 3 121.391 121.391 119.459 1.932 18227 7796 1 23 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.054 0.576 18227 7797 1 23 . 1 1 3 3 GLU C C 3 176.097 176.097 175.930 0.167 18227 7798 1 23 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.542 -0.455 18227 7799 1 23 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.047 -0.863 18227 7800 1 23 . 1 1 3 3 GLU H H 3 8.448 8.448 8.485 -0.037 18227 7801 1 23 . 1 1 4 4 GLY N N 4 109.002 109.002 110.914 -1.912 18227 7802 1 23 . 1 1 4 4 GLY C C 4 174.407 174.407 173.028 1.379 18227 7803 1 23 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.051 0.394 18227 7804 1 23 . 1 1 4 4 GLY H H 4 8.333 8.333 8.556 -0.223 18227 7805 1 23 . 1 1 5 5 GLY N N 5 107.419 107.419 108.153 -0.734 18227 7806 1 23 . 1 1 5 5 GLY C C 5 173.914 173.914 172.251 1.663 18227 7807 1 23 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.430 0.060 18227 7808 1 23 . 1 1 5 5 GLY H H 5 8.120 8.120 8.044 0.076 18227 7809 1 23 . 1 1 6 6 ASP N N 6 117.918 117.918 119.457 -1.539 18227 7810 1 23 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.503 0.403 18227 7811 1 23 . 1 1 6 6 ASP C C 6 175.114 175.114 174.463 0.651 18227 7812 1 23 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.431 -0.312 18227 7813 1 23 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.016 -3.057 18227 7814 1 23 . 1 1 6 6 ASP H H 6 8.204 8.204 6.480 1.724 18227 7815 1 23 . 1 1 7 7 PHE N N 7 119.801 119.801 119.271 0.530 18227 7816 1 23 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.684 0.026 18227 7817 1 23 . 1 1 7 7 PHE C C 7 175.789 175.789 176.165 -0.376 18227 7818 1 23 . 1 1 7 7 PHE CA C 7 58.676 58.676 56.610 2.066 18227 7819 1 23 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.494 -0.325 18227 7820 1 23 . 1 1 7 7 PHE H H 7 8.072 8.072 7.029 1.043 18227 7821 1 23 . 1 1 8 8 ASP N N 8 117.963 117.963 120.111 -2.148 18227 7822 1 23 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.213 0.564 18227 7823 1 23 . 1 1 8 8 ASP C C 8 174.919 174.919 176.362 -1.443 18227 7824 1 23 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.822 -1.242 18227 7825 1 23 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.123 -2.401 18227 7826 1 23 . 1 1 8 8 ASP H H 8 8.184 8.184 8.716 -0.532 18227 7827 1 23 . 1 1 9 9 ASN N N 9 117.736 117.736 116.428 1.308 18227 7828 1 23 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.145 0.645 18227 7829 1 23 . 1 1 9 9 ASN C C 9 174.974 174.974 175.227 -0.253 18227 7830 1 23 . 1 1 9 9 ASN CA C 9 53.736 53.736 56.087 -2.351 18227 7831 1 23 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.483 0.087 18227 7832 1 23 . 1 1 9 9 ASN H H 9 8.080 8.080 8.230 -0.150 18227 7833 1 23 . 1 1 10 10 TYR N N 10 119.580 119.580 116.775 2.805 18227 7834 1 23 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.273 0.353 18227 7835 1 23 . 1 1 10 10 TYR C C 10 175.935 175.935 176.699 -0.764 18227 7836 1 23 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.178 0.601 18227 7837 1 23 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.175 0.339 18227 7838 1 23 . 1 1 10 10 TYR H H 10 7.869 7.869 6.937 0.932 18227 7839 1 23 . 1 1 11 11 TYR N N 11 120.254 120.254 118.776 1.478 18227 7840 1 23 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.202 0.417 18227 7841 1 23 . 1 1 11 11 TYR C C 11 176.666 176.666 175.795 0.871 18227 7842 1 23 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.013 -0.157 18227 7843 1 23 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.642 0.846 18227 7844 1 23 . 1 1 11 11 TYR H H 11 7.906 7.906 9.054 -1.148 18227 7845 1 23 . 1 1 12 12 GLY N N 12 108.226 108.226 104.118 4.108 18227 7846 1 23 . 1 1 12 12 GLY C C 12 174.314 174.314 172.845 1.469 18227 7847 1 23 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.487 0.293 18227 7848 1 23 . 1 1 12 12 GLY H H 12 7.817 7.817 7.844 -0.027 18227 7849 1 23 . 1 1 13 13 ALA N N 13 122.970 122.970 121.889 1.081 18227 7850 1 23 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.814 -0.344 18227 7851 1 23 . 1 1 13 13 ALA C C 13 178.137 178.137 177.509 0.628 18227 7852 1 23 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.442 1.008 18227 7853 1 23 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.427 -1.744 18227 7854 1 23 . 1 1 13 13 ALA H H 13 7.913 7.913 7.732 0.181 18227 7855 1 23 . 1 1 14 14 ASP N N 14 116.374 116.374 118.648 -2.274 18227 7856 1 23 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.511 0.364 18227 7857 1 23 . 1 1 14 14 ASP C C 14 175.450 175.450 177.526 -2.076 18227 7858 1 23 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.448 -1.808 18227 7859 1 23 . 1 1 14 14 ASP CB C 14 37.862 37.862 39.865 -2.003 18227 7860 1 23 . 1 1 14 14 ASP H H 14 8.348 8.348 8.501 -0.153 18227 7861 1 23 . 1 1 15 15 ASN N N 15 118.423 118.423 118.060 0.363 18227 7862 1 23 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.195 0.675 18227 7863 1 23 . 1 1 15 15 ASN C C 15 176.054 176.054 176.841 -0.787 18227 7864 1 23 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.740 -2.312 18227 7865 1 23 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.514 0.168 18227 7866 1 23 . 1 1 15 15 ASN H H 15 8.272 8.272 8.730 -0.458 18227 7867 1 23 . 1 1 16 16 GLN N N 16 120.129 120.129 115.762 4.367 18227 7868 1 23 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.298 0.118 18227 7869 1 23 . 1 1 16 16 GLN C C 16 177.337 177.337 177.312 0.025 18227 7870 1 23 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.926 0.330 18227 7871 1 23 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.953 -0.169 18227 7872 1 23 . 1 1 16 16 GLN H H 16 8.481 8.481 8.279 0.202 18227 7873 1 23 . 1 1 17 17 SER N N 17 115.051 115.051 117.164 -2.113 18227 7874 1 23 . 1 1 17 17 SER HA H 17 4.505 4.505 4.110 0.395 18227 7875 1 23 . 1 1 17 17 SER C C 17 175.596 175.596 176.567 -0.971 18227 7876 1 23 . 1 1 17 17 SER CA C 17 60.767 60.767 61.520 -0.753 18227 7877 1 23 . 1 1 17 17 SER CB C 17 63.325 63.325 62.986 0.339 18227 7878 1 23 . 1 1 17 17 SER H H 17 8.380 8.380 7.647 0.733 18227 7879 1 23 . 1 1 18 18 GLU N N 18 120.901 120.901 122.838 -1.937 18227 7880 1 23 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.009 0.450 18227 7881 1 23 . 1 1 18 18 GLU C C 18 177.867 177.867 178.674 -0.807 18227 7882 1 23 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.322 -1.099 18227 7883 1 23 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.538 -1.473 18227 7884 1 23 . 1 1 18 18 GLU H H 18 8.233 8.233 8.622 -0.389 18227 7885 1 23 . 1 1 19 19 CYS N N 19 118.899 118.899 114.223 4.676 18227 7886 1 23 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.265 0.211 18227 7887 1 23 . 1 1 19 19 CYS C C 19 175.896 175.896 176.659 -0.763 18227 7888 1 23 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.659 -0.397 18227 7889 1 23 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.492 0.567 18227 7890 1 23 . 1 1 19 19 CYS H H 19 8.245 8.245 8.544 -0.299 18227 7891 1 23 . 1 1 20 20 GLU N N 20 120.324 120.324 118.883 1.441 18227 7892 1 23 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.323 0.004 18227 7893 1 23 . 1 1 20 20 GLU C C 20 177.163 177.163 178.168 -1.005 18227 7894 1 23 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.928 0.444 18227 7895 1 23 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.826 -1.782 18227 7896 1 23 . 1 1 20 20 GLU H H 20 8.299 8.299 7.964 0.335 18227 7897 1 23 . 1 1 21 21 TYR N N 21 118.601 118.601 121.342 -2.741 18227 7898 1 23 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.330 0.275 18227 7899 1 23 . 1 1 21 21 TYR C C 21 177.166 177.166 177.623 -0.457 18227 7900 1 23 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.877 -1.471 18227 7901 1 23 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.543 -0.065 18227 7902 1 23 . 1 1 21 21 TYR H H 21 8.165 8.165 8.790 -0.625 18227 7903 1 23 . 1 1 22 22 THR N N 22 112.362 112.362 110.674 1.688 18227 7904 1 23 . 1 1 22 22 THR HA H 22 4.203 4.203 4.299 -0.096 18227 7905 1 23 . 1 1 22 22 THR C C 22 176.226 176.226 175.333 0.893 18227 7906 1 23 . 1 1 22 22 THR CA C 22 64.825 64.825 64.840 -0.015 18227 7907 1 23 . 1 1 22 22 THR CB C 22 69.471 69.471 68.615 0.856 18227 7908 1 23 . 1 1 22 22 THR H H 22 8.063 8.063 8.006 0.057 18227 7909 1 23 . 1 1 23 23 ASP N N 23 121.414 121.414 122.316 -0.902 18227 7910 1 23 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.711 0.032 18227 7911 1 23 . 1 1 23 23 ASP C C 23 176.664 176.664 177.116 -0.452 18227 7912 1 23 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.527 -1.368 18227 7913 1 23 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.403 -3.928 18227 7914 1 23 . 1 1 23 23 ASP H H 23 8.355 8.355 8.290 0.065 18227 7915 1 23 . 1 1 24 24 TRP N N 24 121.858 121.858 122.668 -0.810 18227 7916 1 23 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.059 0.581 18227 7917 1 23 . 1 1 24 24 TRP C C 24 178.311 178.311 177.525 0.786 18227 7918 1 23 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.129 -1.485 18227 7919 1 23 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.384 -0.640 18227 7920 1 23 . 1 1 24 24 TRP H H 24 8.363 8.363 8.718 -0.355 18227 7921 1 23 . 1 1 25 25 LYS N N 25 120.099 120.099 116.807 3.292 18227 7922 1 23 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.330 1.746 18227 7923 1 23 . 1 1 25 25 LYS C C 25 177.946 177.946 177.936 0.010 18227 7924 1 23 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.135 -0.001 18227 7925 1 23 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.518 0.752 18227 7926 1 23 . 1 1 25 25 LYS H H 25 8.291 8.291 7.302 0.989 18227 7927 1 23 . 1 1 26 26 SER N N 26 113.558 113.558 112.147 1.411 18227 7928 1 23 . 1 1 26 26 SER HA H 26 4.541 4.541 4.378 0.163 18227 7929 1 23 . 1 1 26 26 SER C C 26 175.212 175.212 176.264 -1.052 18227 7930 1 23 . 1 1 26 26 SER CA C 26 59.813 59.813 60.125 -0.312 18227 7931 1 23 . 1 1 26 26 SER CB C 26 63.672 63.672 64.223 -0.551 18227 7932 1 23 . 1 1 26 26 SER H H 26 8.088 8.088 7.950 0.138 18227 7933 1 23 . 1 1 27 27 SER N N 27 116.456 116.456 118.041 -1.585 18227 7934 1 23 . 1 1 27 27 SER HA H 27 4.534 4.534 4.403 0.131 18227 7935 1 23 . 1 1 27 27 SER C C 27 175.216 175.216 176.262 -1.046 18227 7936 1 23 . 1 1 27 27 SER CA C 27 60.042 60.042 59.852 0.190 18227 7937 1 23 . 1 1 27 27 SER CB C 27 63.782 63.782 62.735 1.047 18227 7938 1 23 . 1 1 27 27 SER H H 27 8.025 8.025 8.501 -0.476 18227 7939 1 23 . 1 1 28 28 GLY N N 28 108.769 108.769 108.090 0.679 18227 7940 1 23 . 1 1 28 28 GLY C C 28 174.198 174.198 174.004 0.194 18227 7941 1 23 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.896 0.979 18227 7942 1 23 . 1 1 28 28 GLY H H 28 8.051 8.051 7.648 0.403 18227 7943 1 23 . 1 1 29 29 ALA N N 29 121.719 121.719 123.878 -2.159 18227 7944 1 23 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.455 -0.044 18227 7945 1 23 . 1 1 29 29 ALA C C 29 177.554 177.554 176.371 1.183 18227 7946 1 23 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.323 0.762 18227 7947 1 23 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.617 1.157 18227 7948 1 23 . 1 1 29 29 ALA H H 29 7.749 7.749 7.553 0.196 18227 7949 1 23 . 1 1 30 30 LEU N N 30 118.220 118.220 112.176 6.044 18227 7950 1 23 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.489 0.057 18227 7951 1 23 . 1 1 30 30 LEU C C 30 176.978 176.978 177.131 -0.153 18227 7952 1 23 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.965 -0.298 18227 7953 1 23 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.213 0.543 18227 7954 1 23 . 1 1 30 30 LEU H H 30 7.660 7.660 7.269 0.391 18227 7955 1 23 . 1 1 31 31 ILE N N 31 118.934 118.934 122.320 -3.386 18227 7956 1 23 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.139 0.246 18227 7957 1 23 . 1 1 31 31 ILE C C 31 175.025 175.025 174.793 0.232 18227 7958 1 23 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.592 -3.916 18227 7959 1 23 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.938 1.633 18227 7960 1 23 . 1 1 31 31 ILE H H 31 7.446 7.446 7.597 -0.151 18227 7961 1 23 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.138 0.341 18227 7962 1 23 . 1 1 32 32 PRO C C 32 177.601 177.601 178.145 -0.544 18227 7963 1 23 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.950 -0.630 18227 7964 1 23 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.935 0.300 18227 7965 1 23 . 1 1 33 33 ALA N N 33 118.822 118.822 121.277 -2.455 18227 7966 1 23 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.017 0.350 18227 7967 1 23 . 1 1 33 33 ALA C C 33 179.269 179.269 179.840 -0.571 18227 7968 1 23 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.220 -0.403 18227 7969 1 23 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.198 -0.306 18227 7970 1 23 . 1 1 33 33 ALA H H 33 7.293 7.293 8.091 -0.798 18227 7971 1 23 . 1 1 34 34 ILE N N 34 116.953 116.953 118.956 -2.003 18227 7972 1 23 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.628 0.462 18227 7973 1 23 . 1 1 34 34 ILE C C 34 177.061 177.061 178.182 -1.121 18227 7974 1 23 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.081 -1.096 18227 7975 1 23 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.091 1.028 18227 7976 1 23 . 1 1 34 34 ILE H H 34 7.766 7.766 7.590 0.176 18227 7977 1 23 . 1 1 35 35 TYR N N 35 118.432 118.432 118.924 -0.492 18227 7978 1 23 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.003 0.365 18227 7979 1 23 . 1 1 35 35 TYR C C 35 178.052 178.052 178.884 -0.832 18227 7980 1 23 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.251 -1.129 18227 7981 1 23 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.112 -0.176 18227 7982 1 23 . 1 1 35 35 TYR H H 35 7.988 7.988 7.917 0.071 18227 7983 1 23 . 1 1 36 36 MET N N 36 117.042 117.042 118.527 -1.485 18227 7984 1 23 . 1 1 36 36 MET HA H 36 4.534 4.534 4.195 0.339 18227 7985 1 23 . 1 1 36 36 MET C C 36 177.734 177.734 178.780 -1.046 18227 7986 1 23 . 1 1 36 36 MET CA C 36 58.272 58.272 58.401 -0.129 18227 7987 1 23 . 1 1 36 36 MET CB C 36 31.979 31.979 32.089 -0.110 18227 7988 1 23 . 1 1 36 36 MET H H 36 7.934 7.934 8.582 -0.648 18227 7989 1 23 . 1 1 37 37 LEU N N 37 120.539 120.539 119.333 1.206 18227 7990 1 23 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.113 0.230 18227 7991 1 23 . 1 1 37 37 LEU C C 37 178.746 178.746 177.662 1.084 18227 7992 1 23 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.686 1.026 18227 7993 1 23 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.182 -0.144 18227 7994 1 23 . 1 1 37 37 LEU H H 37 8.013 8.013 7.938 0.075 18227 7995 1 23 . 1 1 38 38 VAL N N 38 117.729 117.729 115.101 2.628 18227 7996 1 23 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.071 -0.294 18227 7997 1 23 . 1 1 38 38 VAL C C 38 179.009 179.009 175.776 3.233 18227 7998 1 23 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.047 4.152 18227 7999 1 23 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.953 -0.288 18227 8000 1 23 . 1 1 38 38 VAL H H 38 8.360 8.360 8.096 0.264 18227 8001 1 23 . 1 1 39 39 PHE N N 39 120.549 120.549 119.638 0.911 18227 8002 1 23 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.656 -0.231 18227 8003 1 23 . 1 1 39 39 PHE C C 39 179.129 179.129 176.172 2.957 18227 8004 1 23 . 1 1 39 39 PHE CA C 39 61.522 61.522 58.414 3.107 18227 8005 1 23 . 1 1 39 39 PHE CB C 39 39.103 39.103 42.752 -3.649 18227 8006 1 23 . 1 1 39 39 PHE H H 39 8.225 8.225 7.996 0.229 18227 8007 1 23 . 1 1 40 40 LEU N N 40 122.778 122.778 114.802 7.976 18227 8008 1 23 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.634 -0.467 18227 8009 1 23 . 1 1 40 40 LEU C C 40 180.673 180.673 176.250 4.423 18227 8010 1 23 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.622 3.016 18227 8011 1 23 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.199 -0.035 18227 8012 1 23 . 1 1 40 40 LEU H H 40 8.874 8.874 8.223 0.651 18227 8013 1 23 . 1 1 41 41 LEU N N 41 122.144 122.144 120.638 1.506 18227 8014 1 23 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.355 -0.119 18227 8015 1 23 . 1 1 41 41 LEU C C 41 180.709 180.709 178.386 2.323 18227 8016 1 23 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.543 1.927 18227 8017 1 23 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.562 -0.784 18227 8018 1 23 . 1 1 41 41 LEU H H 41 9.193 9.193 7.670 1.523 18227 8019 1 23 . 1 1 42 42 GLY N N 42 107.124 107.124 104.804 2.320 18227 8020 1 23 . 1 1 42 42 GLY C C 42 176.537 176.537 174.572 1.965 18227 8021 1 23 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.249 1.484 18227 8022 1 23 . 1 1 42 42 GLY H H 42 8.755 8.755 8.430 0.325 18227 8023 1 23 . 1 1 43 43 THR N N 43 113.411 113.411 111.592 1.819 18227 8024 1 23 . 1 1 43 43 THR HA H 43 4.299 4.299 4.441 -0.142 18227 8025 1 23 . 1 1 43 43 THR C C 43 176.797 176.797 173.990 2.807 18227 8026 1 23 . 1 1 43 43 THR CA C 43 64.990 64.990 61.172 3.818 18227 8027 1 23 . 1 1 43 43 THR CB C 43 69.731 69.731 69.001 0.730 18227 8028 1 23 . 1 1 43 43 THR H H 43 8.179 8.179 7.620 0.559 18227 8029 1 23 . 1 1 44 44 THR N N 44 114.667 114.667 116.057 -1.390 18227 8030 1 23 . 1 1 44 44 THR HA H 44 4.366 4.366 4.378 -0.012 18227 8031 1 23 . 1 1 44 44 THR C C 44 176.375 176.375 175.150 1.225 18227 8032 1 23 . 1 1 44 44 THR CA C 44 64.833 64.833 63.564 1.269 18227 8033 1 23 . 1 1 44 44 THR CB C 44 69.988 69.988 70.624 -0.636 18227 8034 1 23 . 1 1 44 44 THR H H 44 8.026 8.026 7.786 0.240 18227 8035 1 23 . 1 1 45 45 GLY N N 45 109.336 109.336 109.424 -0.088 18227 8036 1 23 . 1 1 45 45 GLY C C 45 174.924 174.924 174.875 0.049 18227 8037 1 23 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.427 1.300 18227 8038 1 23 . 1 1 45 45 GLY H H 45 8.261 8.261 8.267 -0.006 18227 8039 1 23 . 1 1 46 46 ASN N N 46 117.547 117.547 119.086 -1.539 18227 8040 1 23 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.652 0.087 18227 8041 1 23 . 1 1 46 46 ASN C C 46 176.815 176.815 177.246 -0.431 18227 8042 1 23 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.559 0.790 18227 8043 1 23 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.189 0.304 18227 8044 1 23 . 1 1 46 46 ASN H H 46 8.083 8.083 8.024 0.059 18227 8045 1 23 . 1 1 47 47 GLY N N 47 106.960 106.960 107.556 -0.596 18227 8046 1 23 . 1 1 47 47 GLY C C 47 175.001 175.001 176.271 -1.270 18227 8047 1 23 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.888 0.099 18227 8048 1 23 . 1 1 47 47 GLY H H 47 8.318 8.318 8.443 -0.125 18227 8049 1 23 . 1 1 48 48 LEU N N 48 120.991 120.991 122.163 -1.172 18227 8050 1 23 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.085 0.404 18227 8051 1 23 . 1 1 48 48 LEU C C 48 180.375 180.375 178.655 1.720 18227 8052 1 23 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.453 0.795 18227 8053 1 23 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.769 0.279 18227 8054 1 23 . 1 1 48 48 LEU H H 48 7.999 7.999 7.546 0.453 18227 8055 1 23 . 1 1 49 49 VAL N N 49 121.040 121.040 118.642 2.398 18227 8056 1 23 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.592 0.241 18227 8057 1 23 . 1 1 49 49 VAL C C 49 178.016 178.016 177.854 0.162 18227 8058 1 23 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.876 0.341 18227 8059 1 23 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.821 0.119 18227 8060 1 23 . 1 1 49 49 VAL H H 49 7.989 7.989 7.337 0.652 18227 8061 1 23 . 1 1 50 50 LEU N N 50 119.986 119.986 118.980 1.006 18227 8062 1 23 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.998 0.199 18227 8063 1 23 . 1 1 50 50 LEU C C 50 178.823 178.823 179.393 -0.570 18227 8064 1 23 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.762 0.928 18227 8065 1 23 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.396 0.269 18227 8066 1 23 . 1 1 50 50 LEU H H 50 7.926 7.926 7.885 0.041 18227 8067 1 23 . 1 1 51 51 TRP N N 51 117.842 117.842 120.773 -2.931 18227 8068 1 23 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.390 0.297 18227 8069 1 23 . 1 1 51 51 TRP C C 51 178.729 178.729 178.310 0.419 18227 8070 1 23 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.002 -0.622 18227 8071 1 23 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.905 -0.364 18227 8072 1 23 . 1 1 51 51 TRP H H 51 8.525 8.525 8.524 0.001 18227 8073 1 23 . 1 1 52 52 THR N N 52 114.722 114.722 117.163 -2.441 18227 8074 1 23 . 1 1 52 52 THR HA H 52 4.007 4.007 3.698 0.309 18227 8075 1 23 . 1 1 52 52 THR C C 52 176.228 176.228 176.710 -0.482 18227 8076 1 23 . 1 1 52 52 THR CA C 52 67.517 67.517 67.393 0.124 18227 8077 1 23 . 1 1 52 52 THR CB C 52 69.051 69.051 68.818 0.233 18227 8078 1 23 . 1 1 52 52 THR H H 52 8.248 8.248 8.644 -0.396 18227 8079 1 23 . 1 1 53 53 VAL N N 53 123.008 123.008 121.183 1.825 18227 8080 1 23 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.646 0.102 18227 8081 1 23 . 1 1 53 53 VAL C C 53 178.474 178.474 177.603 0.871 18227 8082 1 23 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.726 0.729 18227 8083 1 23 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.368 0.472 18227 8084 1 23 . 1 1 53 53 VAL H H 53 8.634 8.634 8.572 0.062 18227 8085 1 23 . 1 1 54 54 PHE N N 54 119.554 119.554 118.063 1.491 18227 8086 1 23 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.038 0.372 18227 8087 1 23 . 1 1 54 54 PHE C C 54 179.173 179.173 177.182 1.991 18227 8088 1 23 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.938 -0.851 18227 8089 1 23 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.629 0.161 18227 8090 1 23 . 1 1 54 54 PHE H H 54 8.860 8.860 7.776 1.084 18227 8091 1 23 . 1 1 55 55 ARG N N 55 118.355 118.355 116.662 1.693 18227 8092 1 23 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.895 0.225 18227 8093 1 23 . 1 1 55 55 ARG C C 55 178.719 178.719 177.188 1.531 18227 8094 1 23 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.029 1.947 18227 8095 1 23 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.621 0.457 18227 8096 1 23 . 1 1 55 55 ARG H H 55 8.296 8.296 7.642 0.654 18227 8097 1 23 . 1 1 56 56 LYS N N 56 119.698 119.698 116.652 3.046 18227 8098 1 23 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.461 -0.168 18227 8099 1 23 . 1 1 56 56 LYS C C 56 178.742 178.742 177.530 1.212 18227 8100 1 23 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.828 1.223 18227 8101 1 23 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.364 -0.593 18227 8102 1 23 . 1 1 56 56 LYS H H 56 8.377 8.377 7.930 0.447 18227 8103 1 23 . 1 1 57 57 LYS N N 57 119.104 119.104 119.315 -0.211 18227 8104 1 23 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.490 -0.145 18227 8105 1 23 . 1 1 57 57 LYS C C 57 178.311 178.311 176.866 1.445 18227 8106 1 23 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.206 1.927 18227 8107 1 23 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.822 -1.132 18227 8108 1 23 . 1 1 57 57 LYS H H 57 8.610 8.610 8.344 0.266 18227 8109 1 23 . 1 1 58 58 GLY N N 58 106.684 106.684 106.560 0.124 18227 8110 1 23 . 1 1 58 58 GLY C C 58 174.451 174.451 175.335 -0.884 18227 8111 1 23 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.021 -0.108 18227 8112 1 23 . 1 1 58 58 GLY H H 58 8.154 8.154 7.703 0.451 18227 8113 1 23 . 1 1 59 59 HIS N N 59 116.995 116.995 116.854 0.141 18227 8114 1 23 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.244 0.531 18227 8115 1 23 . 1 1 59 59 HIS C C 59 174.529 174.529 174.715 -0.186 18227 8116 1 23 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.405 -1.265 18227 8117 1 23 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.817 -1.190 18227 8118 1 23 . 1 1 59 59 HIS H H 59 8.106 8.106 8.001 0.105 18227 8119 1 23 . 1 1 60 60 HIS N N 60 117.887 117.887 117.055 0.832 18227 8120 1 23 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.890 -0.044 18227 8121 1 23 . 1 1 60 60 HIS C C 60 174.247 174.247 174.006 0.241 18227 8122 1 23 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.610 0.297 18227 8123 1 23 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.784 -0.734 18227 8124 1 23 . 1 1 60 60 HIS H H 60 8.425 8.425 7.612 0.813 18227 8125 1 23 . 1 1 61 61 HIS N N 61 118.329 118.329 123.548 -5.219 18227 8126 1 23 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.692 0.181 18227 8127 1 23 . 1 1 61 61 HIS C C 61 174.139 174.139 174.275 -0.136 18227 8128 1 23 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.547 -0.753 18227 8129 1 23 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.004 -1.734 18227 8130 1 23 . 1 1 61 61 HIS H H 61 8.573 8.573 8.362 0.211 18227 8131 1 23 . 1 1 62 62 HIS N N 62 118.968 118.968 118.435 0.533 18227 8132 1 23 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.533 0.342 18227 8133 1 23 . 1 1 62 62 HIS C C 62 173.827 173.827 174.369 -0.542 18227 8134 1 23 . 1 1 62 62 HIS CA C 62 55.768 55.768 55.622 0.146 18227 8135 1 23 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.133 0.135 18227 8136 1 23 . 1 1 62 62 HIS H H 62 8.662 8.662 8.163 0.499 18227 8137 1 23 . 1 1 63 63 HIS N N 63 118.949 118.949 122.587 -3.638 18227 8138 1 23 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.023 0.827 18227 8139 1 23 . 1 1 63 63 HIS C C 63 173.433 173.433 174.690 -1.257 18227 8140 1 23 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.389 -0.600 18227 8141 1 23 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.558 0.904 18227 8142 1 23 . 1 1 63 63 HIS H H 63 8.518 8.518 8.733 -0.215 18227 8143 1 24 . 1 1 2 2 GLU N N 2 122.322 122.322 121.708 0.614 18227 8144 1 24 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.725 -0.047 18227 8145 1 24 . 1 1 2 2 GLU C C 2 175.160 175.160 175.078 0.082 18227 8146 1 24 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.157 -0.064 18227 8147 1 24 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.846 -1.671 18227 8148 1 24 . 1 1 2 2 GLU H H 2 8.641 8.641 8.459 0.182 18227 8149 1 24 . 1 1 3 3 GLU N N 3 121.391 121.391 120.722 0.669 18227 8150 1 24 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.364 0.266 18227 8151 1 24 . 1 1 3 3 GLU C C 3 176.097 176.097 176.233 -0.136 18227 8152 1 24 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.285 -0.198 18227 8153 1 24 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.282 -1.098 18227 8154 1 24 . 1 1 3 3 GLU H H 3 8.448 8.448 8.385 0.063 18227 8155 1 24 . 1 1 4 4 GLY N N 4 109.002 109.002 110.983 -1.981 18227 8156 1 24 . 1 1 4 4 GLY C C 4 174.407 174.407 174.264 0.143 18227 8157 1 24 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.971 0.474 18227 8158 1 24 . 1 1 4 4 GLY H H 4 8.333 8.333 8.438 -0.105 18227 8159 1 24 . 1 1 5 5 GLY N N 5 107.419 107.419 107.633 -0.214 18227 8160 1 24 . 1 1 5 5 GLY C C 5 173.914 173.914 173.513 0.401 18227 8161 1 24 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.906 0.584 18227 8162 1 24 . 1 1 5 5 GLY H H 5 8.120 8.120 8.009 0.111 18227 8163 1 24 . 1 1 6 6 ASP N N 6 117.918 117.918 120.644 -2.726 18227 8164 1 24 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.669 0.237 18227 8165 1 24 . 1 1 6 6 ASP C C 6 175.114 175.114 174.235 0.879 18227 8166 1 24 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.940 -0.821 18227 8167 1 24 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.414 -3.455 18227 8168 1 24 . 1 1 6 6 ASP H H 6 8.204 8.204 8.560 -0.356 18227 8169 1 24 . 1 1 7 7 PHE N N 7 119.801 119.801 119.553 0.248 18227 8170 1 24 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.703 0.007 18227 8171 1 24 . 1 1 7 7 PHE C C 7 175.789 175.789 174.396 1.393 18227 8172 1 24 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.972 0.704 18227 8173 1 24 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.958 -0.789 18227 8174 1 24 . 1 1 7 7 PHE H H 7 8.072 8.072 7.803 0.269 18227 8175 1 24 . 1 1 8 8 ASP N N 8 117.963 117.963 117.341 0.622 18227 8176 1 24 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.182 0.595 18227 8177 1 24 . 1 1 8 8 ASP C C 8 174.919 174.919 175.386 -0.467 18227 8178 1 24 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.857 -1.277 18227 8179 1 24 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.842 -2.119 18227 8180 1 24 . 1 1 8 8 ASP H H 8 8.184 8.184 8.554 -0.370 18227 8181 1 24 . 1 1 9 9 ASN N N 9 117.736 117.736 116.175 1.561 18227 8182 1 24 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.535 0.255 18227 8183 1 24 . 1 1 9 9 ASN C C 9 174.974 174.974 176.099 -1.125 18227 8184 1 24 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.910 -1.174 18227 8185 1 24 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.762 -0.192 18227 8186 1 24 . 1 1 9 9 ASN H H 9 8.080 8.080 7.829 0.251 18227 8187 1 24 . 1 1 10 10 TYR N N 10 119.580 119.580 117.552 2.028 18227 8188 1 24 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.156 0.470 18227 8189 1 24 . 1 1 10 10 TYR C C 10 175.935 175.935 174.644 1.291 18227 8190 1 24 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.941 -1.162 18227 8191 1 24 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.747 1.767 18227 8192 1 24 . 1 1 10 10 TYR H H 10 7.869 7.869 9.024 -1.155 18227 8193 1 24 . 1 1 11 11 TYR N N 11 120.254 120.254 118.721 1.533 18227 8194 1 24 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.385 0.234 18227 8195 1 24 . 1 1 11 11 TYR C C 11 176.666 176.666 174.306 2.360 18227 8196 1 24 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.697 0.159 18227 8197 1 24 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.077 -0.589 18227 8198 1 24 . 1 1 11 11 TYR H H 11 7.906 7.906 7.788 0.118 18227 8199 1 24 . 1 1 12 12 GLY N N 12 108.226 108.226 107.239 0.987 18227 8200 1 24 . 1 1 12 12 GLY C C 12 174.314 174.314 173.240 1.074 18227 8201 1 24 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.334 0.446 18227 8202 1 24 . 1 1 12 12 GLY H H 12 7.817 7.817 7.723 0.094 18227 8203 1 24 . 1 1 13 13 ALA N N 13 122.970 122.970 121.728 1.242 18227 8204 1 24 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.524 -0.054 18227 8205 1 24 . 1 1 13 13 ALA C C 13 178.137 178.137 177.331 0.806 18227 8206 1 24 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.941 0.509 18227 8207 1 24 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.966 -1.283 18227 8208 1 24 . 1 1 13 13 ALA H H 13 7.913 7.913 7.697 0.216 18227 8209 1 24 . 1 1 14 14 ASP N N 14 116.374 116.374 119.202 -2.828 18227 8210 1 24 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.593 0.282 18227 8211 1 24 . 1 1 14 14 ASP C C 14 175.450 175.450 176.626 -1.176 18227 8212 1 24 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.260 -1.620 18227 8213 1 24 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.014 -3.152 18227 8214 1 24 . 1 1 14 14 ASP H H 14 8.348 8.348 8.370 -0.022 18227 8215 1 24 . 1 1 15 15 ASN N N 15 118.423 118.423 117.696 0.727 18227 8216 1 24 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.684 0.186 18227 8217 1 24 . 1 1 15 15 ASN C C 15 176.054 176.054 176.518 -0.464 18227 8218 1 24 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.706 -1.278 18227 8219 1 24 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.592 0.090 18227 8220 1 24 . 1 1 15 15 ASN H H 15 8.272 8.272 8.529 -0.257 18227 8221 1 24 . 1 1 16 16 GLN N N 16 120.129 120.129 115.616 4.513 18227 8222 1 24 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.462 -0.046 18227 8223 1 24 . 1 1 16 16 GLN C C 16 177.337 177.337 175.373 1.964 18227 8224 1 24 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.255 2.001 18227 8225 1 24 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.614 0.170 18227 8226 1 24 . 1 1 16 16 GLN H H 16 8.481 8.481 8.129 0.352 18227 8227 1 24 . 1 1 17 17 SER N N 17 115.051 115.051 116.374 -1.323 18227 8228 1 24 . 1 1 17 17 SER HA H 17 4.505 4.505 4.673 -0.168 18227 8229 1 24 . 1 1 17 17 SER C C 17 175.596 175.596 175.822 -0.226 18227 8230 1 24 . 1 1 17 17 SER CA C 17 60.767 60.767 59.477 1.290 18227 8231 1 24 . 1 1 17 17 SER CB C 17 63.325 63.325 65.228 -1.903 18227 8232 1 24 . 1 1 17 17 SER H H 17 8.380 8.380 8.171 0.209 18227 8233 1 24 . 1 1 18 18 GLU N N 18 120.901 120.901 122.615 -1.714 18227 8234 1 24 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.015 0.444 18227 8235 1 24 . 1 1 18 18 GLU C C 18 177.867 177.867 177.534 0.333 18227 8236 1 24 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.559 -1.336 18227 8237 1 24 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.088 -1.023 18227 8238 1 24 . 1 1 18 18 GLU H H 18 8.233 8.233 8.550 -0.317 18227 8239 1 24 . 1 1 19 19 CYS N N 19 118.899 118.899 115.931 2.968 18227 8240 1 24 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.509 -0.033 18227 8241 1 24 . 1 1 19 19 CYS C C 19 175.896 175.896 176.219 -0.323 18227 8242 1 24 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.064 0.198 18227 8243 1 24 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.046 -0.987 18227 8244 1 24 . 1 1 19 19 CYS H H 19 8.245 8.245 8.245 -0.000 18227 8245 1 24 . 1 1 20 20 GLU N N 20 120.324 120.324 120.870 -0.546 18227 8246 1 24 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.319 0.008 18227 8247 1 24 . 1 1 20 20 GLU C C 20 177.163 177.163 177.606 -0.443 18227 8248 1 24 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.576 0.796 18227 8249 1 24 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.796 -1.752 18227 8250 1 24 . 1 1 20 20 GLU H H 20 8.299 8.299 7.990 0.309 18227 8251 1 24 . 1 1 21 21 TYR N N 21 118.601 118.601 121.552 -2.951 18227 8252 1 24 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.345 0.260 18227 8253 1 24 . 1 1 21 21 TYR C C 21 177.166 177.166 176.953 0.213 18227 8254 1 24 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.193 -1.787 18227 8255 1 24 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.628 -0.150 18227 8256 1 24 . 1 1 21 21 TYR H H 21 8.165 8.165 8.961 -0.796 18227 8257 1 24 . 1 1 22 22 THR N N 22 112.362 112.362 108.769 3.593 18227 8258 1 24 . 1 1 22 22 THR HA H 22 4.203 4.203 4.110 0.093 18227 8259 1 24 . 1 1 22 22 THR C C 22 176.226 176.226 174.778 1.448 18227 8260 1 24 . 1 1 22 22 THR CA C 22 64.825 64.825 64.607 0.218 18227 8261 1 24 . 1 1 22 22 THR CB C 22 69.471 69.471 68.236 1.235 18227 8262 1 24 . 1 1 22 22 THR H H 22 8.063 8.063 8.171 -0.108 18227 8263 1 24 . 1 1 23 23 ASP N N 23 121.414 121.414 122.652 -1.238 18227 8264 1 24 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.744 -0.001 18227 8265 1 24 . 1 1 23 23 ASP C C 23 176.664 176.664 177.201 -0.537 18227 8266 1 24 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.521 -1.362 18227 8267 1 24 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.626 -4.151 18227 8268 1 24 . 1 1 23 23 ASP H H 23 8.355 8.355 8.261 0.094 18227 8269 1 24 . 1 1 24 24 TRP N N 24 121.858 121.858 122.919 -1.061 18227 8270 1 24 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.125 0.515 18227 8271 1 24 . 1 1 24 24 TRP C C 24 178.311 178.311 177.720 0.591 18227 8272 1 24 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.147 -1.503 18227 8273 1 24 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.341 -0.598 18227 8274 1 24 . 1 1 24 24 TRP H H 24 8.363 8.363 8.871 -0.508 18227 8275 1 24 . 1 1 25 25 LYS N N 25 120.099 120.099 117.410 2.689 18227 8276 1 24 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.397 1.679 18227 8277 1 24 . 1 1 25 25 LYS C C 25 177.946 177.946 177.801 0.145 18227 8278 1 24 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.077 0.057 18227 8279 1 24 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.601 0.669 18227 8280 1 24 . 1 1 25 25 LYS H H 25 8.291 8.291 7.371 0.920 18227 8281 1 24 . 1 1 26 26 SER N N 26 113.558 113.558 112.386 1.172 18227 8282 1 24 . 1 1 26 26 SER HA H 26 4.541 4.541 4.344 0.197 18227 8283 1 24 . 1 1 26 26 SER C C 26 175.212 175.212 175.451 -0.239 18227 8284 1 24 . 1 1 26 26 SER CA C 26 59.813 59.813 60.511 -0.698 18227 8285 1 24 . 1 1 26 26 SER CB C 26 63.672 63.672 64.749 -1.077 18227 8286 1 24 . 1 1 26 26 SER H H 26 8.088 8.088 8.029 0.059 18227 8287 1 24 . 1 1 27 27 SER N N 27 116.456 116.456 115.983 0.473 18227 8288 1 24 . 1 1 27 27 SER HA H 27 4.534 4.534 4.511 0.023 18227 8289 1 24 . 1 1 27 27 SER C C 27 175.216 175.216 174.723 0.493 18227 8290 1 24 . 1 1 27 27 SER CA C 27 60.042 60.042 59.047 0.995 18227 8291 1 24 . 1 1 27 27 SER CB C 27 63.782 63.782 62.612 1.170 18227 8292 1 24 . 1 1 27 27 SER H H 27 8.025 8.025 8.452 -0.427 18227 8293 1 24 . 1 1 28 28 GLY N N 28 108.769 108.769 108.395 0.374 18227 8294 1 24 . 1 1 28 28 GLY C C 28 174.198 174.198 172.827 1.371 18227 8295 1 24 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.796 1.079 18227 8296 1 24 . 1 1 28 28 GLY H H 28 8.051 8.051 7.810 0.241 18227 8297 1 24 . 1 1 29 29 ALA N N 29 121.719 121.719 121.560 0.159 18227 8298 1 24 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.509 -0.098 18227 8299 1 24 . 1 1 29 29 ALA C C 29 177.554 177.554 176.515 1.039 18227 8300 1 24 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.414 -0.329 18227 8301 1 24 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.814 -0.041 18227 8302 1 24 . 1 1 29 29 ALA H H 29 7.749 7.749 7.660 0.089 18227 8303 1 24 . 1 1 30 30 LEU N N 30 118.220 118.220 113.390 4.830 18227 8304 1 24 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.421 0.125 18227 8305 1 24 . 1 1 30 30 LEU C C 30 176.978 176.978 177.555 -0.577 18227 8306 1 24 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.102 -0.435 18227 8307 1 24 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.741 1.015 18227 8308 1 24 . 1 1 30 30 LEU H H 30 7.660 7.660 7.703 -0.043 18227 8309 1 24 . 1 1 31 31 ILE N N 31 118.934 118.934 120.087 -1.153 18227 8310 1 24 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.215 0.170 18227 8311 1 24 . 1 1 31 31 ILE C C 31 175.025 175.025 175.054 -0.029 18227 8312 1 24 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.634 -2.958 18227 8313 1 24 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.056 1.515 18227 8314 1 24 . 1 1 31 31 ILE H H 31 7.446 7.446 8.187 -0.741 18227 8315 1 24 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.612 -0.133 18227 8316 1 24 . 1 1 32 32 PRO C C 32 177.601 177.601 178.084 -0.483 18227 8317 1 24 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.077 0.243 18227 8318 1 24 . 1 1 32 32 PRO CB C 32 31.235 31.235 31.025 0.210 18227 8319 1 24 . 1 1 33 33 ALA N N 33 118.822 118.822 122.528 -3.706 18227 8320 1 24 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.187 0.180 18227 8321 1 24 . 1 1 33 33 ALA C C 33 179.269 179.269 179.810 -0.541 18227 8322 1 24 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.980 -0.163 18227 8323 1 24 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.441 -0.549 18227 8324 1 24 . 1 1 33 33 ALA H H 33 7.293 7.293 8.174 -0.881 18227 8325 1 24 . 1 1 34 34 ILE N N 34 116.953 116.953 119.317 -2.364 18227 8326 1 24 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.612 0.478 18227 8327 1 24 . 1 1 34 34 ILE C C 34 177.061 177.061 177.721 -0.660 18227 8328 1 24 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.362 -1.377 18227 8329 1 24 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.951 0.168 18227 8330 1 24 . 1 1 34 34 ILE H H 34 7.766 7.766 7.492 0.274 18227 8331 1 24 . 1 1 35 35 TYR N N 35 118.432 118.432 119.247 -0.815 18227 8332 1 24 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.039 0.329 18227 8333 1 24 . 1 1 35 35 TYR C C 35 178.052 178.052 178.105 -0.053 18227 8334 1 24 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.349 -1.226 18227 8335 1 24 . 1 1 35 35 TYR CB C 35 37.936 37.936 37.994 -0.058 18227 8336 1 24 . 1 1 35 35 TYR H H 35 7.988 7.988 7.597 0.391 18227 8337 1 24 . 1 1 36 36 MET N N 36 117.042 117.042 118.089 -1.047 18227 8338 1 24 . 1 1 36 36 MET HA H 36 4.534 4.534 4.270 0.264 18227 8339 1 24 . 1 1 36 36 MET C C 36 177.734 177.734 178.313 -0.579 18227 8340 1 24 . 1 1 36 36 MET CA C 36 58.272 58.272 57.252 1.020 18227 8341 1 24 . 1 1 36 36 MET CB C 36 31.979 31.979 31.999 -0.020 18227 8342 1 24 . 1 1 36 36 MET H H 36 7.934 7.934 7.878 0.056 18227 8343 1 24 . 1 1 37 37 LEU N N 37 120.539 120.539 119.887 0.652 18227 8344 1 24 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.046 0.297 18227 8345 1 24 . 1 1 37 37 LEU C C 37 178.746 178.746 178.560 0.186 18227 8346 1 24 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.054 0.658 18227 8347 1 24 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.945 0.093 18227 8348 1 24 . 1 1 37 37 LEU H H 37 8.013 8.013 8.161 -0.148 18227 8349 1 24 . 1 1 38 38 VAL N N 38 117.729 117.729 116.172 1.557 18227 8350 1 24 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.930 -0.153 18227 8351 1 24 . 1 1 38 38 VAL C C 38 179.009 179.009 177.217 1.792 18227 8352 1 24 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.108 2.091 18227 8353 1 24 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.140 -0.475 18227 8354 1 24 . 1 1 38 38 VAL H H 38 8.360 8.360 8.488 -0.128 18227 8355 1 24 . 1 1 39 39 PHE N N 39 120.549 120.549 122.793 -2.244 18227 8356 1 24 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.442 -0.017 18227 8357 1 24 . 1 1 39 39 PHE C C 39 179.129 179.129 176.956 2.173 18227 8358 1 24 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.483 0.039 18227 8359 1 24 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.770 -0.667 18227 8360 1 24 . 1 1 39 39 PHE H H 39 8.225 8.225 7.947 0.278 18227 8361 1 24 . 1 1 40 40 LEU N N 40 122.778 122.778 115.788 6.990 18227 8362 1 24 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.413 -0.246 18227 8363 1 24 . 1 1 40 40 LEU C C 40 180.673 180.673 176.884 3.789 18227 8364 1 24 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.189 1.449 18227 8365 1 24 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.050 1.114 18227 8366 1 24 . 1 1 40 40 LEU H H 40 8.874 8.874 8.425 0.449 18227 8367 1 24 . 1 1 41 41 LEU N N 41 122.144 122.144 119.547 2.597 18227 8368 1 24 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.421 -0.185 18227 8369 1 24 . 1 1 41 41 LEU C C 41 180.709 180.709 178.507 2.202 18227 8370 1 24 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.708 1.762 18227 8371 1 24 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.783 -1.005 18227 8372 1 24 . 1 1 41 41 LEU H H 41 9.193 9.193 7.497 1.696 18227 8373 1 24 . 1 1 42 42 GLY N N 42 107.124 107.124 103.597 3.527 18227 8374 1 24 . 1 1 42 42 GLY C C 42 176.537 176.537 174.739 1.798 18227 8375 1 24 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.624 1.109 18227 8376 1 24 . 1 1 42 42 GLY H H 42 8.755 8.755 7.909 0.846 18227 8377 1 24 . 1 1 43 43 THR N N 43 113.411 113.411 114.088 -0.677 18227 8378 1 24 . 1 1 43 43 THR HA H 43 4.299 4.299 4.449 -0.150 18227 8379 1 24 . 1 1 43 43 THR C C 43 176.797 176.797 173.853 2.944 18227 8380 1 24 . 1 1 43 43 THR CA C 43 64.990 64.990 61.006 3.984 18227 8381 1 24 . 1 1 43 43 THR CB C 43 69.731 69.731 68.593 1.138 18227 8382 1 24 . 1 1 43 43 THR H H 43 8.179 8.179 7.676 0.503 18227 8383 1 24 . 1 1 44 44 THR N N 44 114.667 114.667 116.895 -2.228 18227 8384 1 24 . 1 1 44 44 THR HA H 44 4.366 4.366 4.466 -0.100 18227 8385 1 24 . 1 1 44 44 THR C C 44 176.375 176.375 175.292 1.083 18227 8386 1 24 . 1 1 44 44 THR CA C 44 64.833 64.833 64.489 0.344 18227 8387 1 24 . 1 1 44 44 THR CB C 44 69.988 69.988 70.642 -0.654 18227 8388 1 24 . 1 1 44 44 THR H H 44 8.026 8.026 7.615 0.411 18227 8389 1 24 . 1 1 45 45 GLY N N 45 109.336 109.336 109.672 -0.336 18227 8390 1 24 . 1 1 45 45 GLY C C 45 174.924 174.924 174.894 0.030 18227 8391 1 24 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.325 1.402 18227 8392 1 24 . 1 1 45 45 GLY H H 45 8.261 8.261 8.036 0.225 18227 8393 1 24 . 1 1 46 46 ASN N N 46 117.547 117.547 119.660 -2.113 18227 8394 1 24 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.548 0.191 18227 8395 1 24 . 1 1 46 46 ASN C C 46 176.815 176.815 177.386 -0.571 18227 8396 1 24 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.397 -0.047 18227 8397 1 24 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.993 0.500 18227 8398 1 24 . 1 1 46 46 ASN H H 46 8.083 8.083 8.039 0.044 18227 8399 1 24 . 1 1 47 47 GLY N N 47 106.960 106.960 108.206 -1.246 18227 8400 1 24 . 1 1 47 47 GLY C C 47 175.001 175.001 176.278 -1.277 18227 8401 1 24 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.878 0.109 18227 8402 1 24 . 1 1 47 47 GLY H H 47 8.318 8.318 8.383 -0.065 18227 8403 1 24 . 1 1 48 48 LEU N N 48 120.991 120.991 122.160 -1.169 18227 8404 1 24 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.079 0.410 18227 8405 1 24 . 1 1 48 48 LEU C C 48 180.375 180.375 178.721 1.654 18227 8406 1 24 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.487 0.761 18227 8407 1 24 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.948 0.099 18227 8408 1 24 . 1 1 48 48 LEU H H 48 7.999 7.999 7.592 0.407 18227 8409 1 24 . 1 1 49 49 VAL N N 49 121.040 121.040 118.957 2.083 18227 8410 1 24 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.551 0.282 18227 8411 1 24 . 1 1 49 49 VAL C C 49 178.016 178.016 177.863 0.153 18227 8412 1 24 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.078 0.139 18227 8413 1 24 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.809 0.131 18227 8414 1 24 . 1 1 49 49 VAL H H 49 7.989 7.989 7.388 0.601 18227 8415 1 24 . 1 1 50 50 LEU N N 50 119.986 119.986 118.746 1.240 18227 8416 1 24 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.890 0.307 18227 8417 1 24 . 1 1 50 50 LEU C C 50 178.823 178.823 179.276 -0.453 18227 8418 1 24 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.609 1.081 18227 8419 1 24 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.169 0.496 18227 8420 1 24 . 1 1 50 50 LEU H H 50 7.926 7.926 8.060 -0.134 18227 8421 1 24 . 1 1 51 51 TRP N N 51 117.842 117.842 120.660 -2.818 18227 8422 1 24 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.350 0.337 18227 8423 1 24 . 1 1 51 51 TRP C C 51 178.729 178.729 177.960 0.769 18227 8424 1 24 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.073 -0.693 18227 8425 1 24 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.920 -0.379 18227 8426 1 24 . 1 1 51 51 TRP H H 51 8.525 8.525 8.285 0.240 18227 8427 1 24 . 1 1 52 52 THR N N 52 114.722 114.722 117.457 -2.735 18227 8428 1 24 . 1 1 52 52 THR HA H 52 4.007 4.007 3.701 0.306 18227 8429 1 24 . 1 1 52 52 THR C C 52 176.228 176.228 176.641 -0.413 18227 8430 1 24 . 1 1 52 52 THR CA C 52 67.517 67.517 67.438 0.079 18227 8431 1 24 . 1 1 52 52 THR CB C 52 69.051 69.051 68.803 0.248 18227 8432 1 24 . 1 1 52 52 THR H H 52 8.248 8.248 8.633 -0.385 18227 8433 1 24 . 1 1 53 53 VAL N N 53 123.008 123.008 121.372 1.636 18227 8434 1 24 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.650 0.098 18227 8435 1 24 . 1 1 53 53 VAL C C 53 178.474 178.474 177.787 0.687 18227 8436 1 24 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.961 0.494 18227 8437 1 24 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.273 0.567 18227 8438 1 24 . 1 1 53 53 VAL H H 53 8.634 8.634 8.663 -0.029 18227 8439 1 24 . 1 1 54 54 PHE N N 54 119.554 119.554 118.546 1.008 18227 8440 1 24 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.047 0.363 18227 8441 1 24 . 1 1 54 54 PHE C C 54 179.173 179.173 178.168 1.005 18227 8442 1 24 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.685 -0.598 18227 8443 1 24 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.281 0.509 18227 8444 1 24 . 1 1 54 54 PHE H H 54 8.860 8.860 7.707 1.153 18227 8445 1 24 . 1 1 55 55 ARG N N 55 118.355 118.355 117.943 0.412 18227 8446 1 24 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.900 0.220 18227 8447 1 24 . 1 1 55 55 ARG C C 55 178.719 178.719 178.577 0.142 18227 8448 1 24 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.855 0.121 18227 8449 1 24 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.703 0.375 18227 8450 1 24 . 1 1 55 55 ARG H H 55 8.296 8.296 7.615 0.681 18227 8451 1 24 . 1 1 56 56 LYS N N 56 119.698 119.698 120.896 -1.198 18227 8452 1 24 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.034 0.259 18227 8453 1 24 . 1 1 56 56 LYS C C 56 178.742 178.742 178.483 0.259 18227 8454 1 24 . 1 1 56 56 LYS CA C 56 59.051 59.051 59.226 -0.175 18227 8455 1 24 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.422 0.349 18227 8456 1 24 . 1 1 56 56 LYS H H 56 8.377 8.377 8.172 0.205 18227 8457 1 24 . 1 1 57 57 LYS N N 57 119.104 119.104 117.070 2.034 18227 8458 1 24 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.227 0.118 18227 8459 1 24 . 1 1 57 57 LYS C C 57 178.311 178.311 178.892 -0.581 18227 8460 1 24 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.920 -0.788 18227 8461 1 24 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.036 0.654 18227 8462 1 24 . 1 1 57 57 LYS H H 57 8.610 8.610 8.376 0.234 18227 8463 1 24 . 1 1 58 58 GLY N N 58 106.684 106.684 107.648 -0.964 18227 8464 1 24 . 1 1 58 58 GLY C C 58 174.451 174.451 174.992 -0.541 18227 8465 1 24 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.248 -0.335 18227 8466 1 24 . 1 1 58 58 GLY H H 58 8.154 8.154 7.970 0.184 18227 8467 1 24 . 1 1 59 59 HIS N N 59 116.995 116.995 119.116 -2.121 18227 8468 1 24 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.180 0.595 18227 8469 1 24 . 1 1 59 59 HIS C C 59 174.529 174.529 175.936 -1.407 18227 8470 1 24 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.589 -2.449 18227 8471 1 24 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.659 -1.032 18227 8472 1 24 . 1 1 59 59 HIS H H 59 8.106 8.106 7.584 0.522 18227 8473 1 24 . 1 1 60 60 HIS N N 60 117.887 117.887 116.137 1.750 18227 8474 1 24 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.016 0.830 18227 8475 1 24 . 1 1 60 60 HIS C C 60 174.247 174.247 175.149 -0.902 18227 8476 1 24 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.302 -1.395 18227 8477 1 24 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.390 -1.340 18227 8478 1 24 . 1 1 60 60 HIS H H 60 8.425 8.425 7.938 0.487 18227 8479 1 24 . 1 1 61 61 HIS N N 61 118.329 118.329 114.829 3.500 18227 8480 1 24 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.436 0.437 18227 8481 1 24 . 1 1 61 61 HIS C C 61 174.139 174.139 173.858 0.281 18227 8482 1 24 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.025 -0.231 18227 8483 1 24 . 1 1 61 61 HIS CB C 61 29.270 29.270 32.047 -2.777 18227 8484 1 24 . 1 1 61 61 HIS H H 61 8.573 8.573 8.391 0.182 18227 8485 1 24 . 1 1 62 62 HIS N N 62 118.968 118.968 118.760 0.208 18227 8486 1 24 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.380 0.495 18227 8487 1 24 . 1 1 62 62 HIS C C 62 173.827 173.827 173.240 0.587 18227 8488 1 24 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.042 -0.274 18227 8489 1 24 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.487 -2.219 18227 8490 1 24 . 1 1 62 62 HIS H H 62 8.662 8.662 8.654 0.008 18227 8491 1 24 . 1 1 63 63 HIS N N 63 118.949 118.949 120.520 -1.571 18227 8492 1 24 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.063 0.787 18227 8493 1 24 . 1 1 63 63 HIS C C 63 173.433 173.433 173.680 -0.247 18227 8494 1 24 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.364 -0.575 18227 8495 1 24 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.301 2.161 18227 8496 1 24 . 1 1 63 63 HIS H H 63 8.518 8.518 8.488 0.030 18227 8497 1 25 . 1 1 2 2 GLU N N 2 122.322 122.322 124.707 -2.385 18227 8498 1 25 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.573 0.105 18227 8499 1 25 . 1 1 2 2 GLU C C 2 175.160 175.160 176.348 -1.188 18227 8500 1 25 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.958 0.135 18227 8501 1 25 . 1 1 2 2 GLU CB C 2 29.175 29.175 27.805 1.370 18227 8502 1 25 . 1 1 2 2 GLU H H 2 8.641 8.641 8.664 -0.023 18227 8503 1 25 . 1 1 3 3 GLU N N 3 121.391 121.391 123.292 -1.901 18227 8504 1 25 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.132 0.498 18227 8505 1 25 . 1 1 3 3 GLU C C 3 176.097 176.097 176.283 -0.186 18227 8506 1 25 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.095 -1.008 18227 8507 1 25 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.121 -0.937 18227 8508 1 25 . 1 1 3 3 GLU H H 3 8.448 8.448 8.195 0.253 18227 8509 1 25 . 1 1 4 4 GLY N N 4 109.002 109.002 109.884 -0.882 18227 8510 1 25 . 1 1 4 4 GLY C C 4 174.407 174.407 174.158 0.249 18227 8511 1 25 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.386 0.059 18227 8512 1 25 . 1 1 4 4 GLY H H 4 8.333 8.333 8.600 -0.267 18227 8513 1 25 . 1 1 5 5 GLY N N 5 107.419 107.419 113.639 -6.220 18227 8514 1 25 . 1 1 5 5 GLY C C 5 173.914 173.914 173.995 -0.081 18227 8515 1 25 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.957 0.533 18227 8516 1 25 . 1 1 5 5 GLY H H 5 8.120 8.120 8.422 -0.302 18227 8517 1 25 . 1 1 6 6 ASP N N 6 117.918 117.918 120.339 -2.421 18227 8518 1 25 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.363 0.543 18227 8519 1 25 . 1 1 6 6 ASP C C 6 175.114 175.114 175.088 0.026 18227 8520 1 25 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.517 -1.397 18227 8521 1 25 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.352 -2.393 18227 8522 1 25 . 1 1 6 6 ASP H H 6 8.204 8.204 8.507 -0.303 18227 8523 1 25 . 1 1 7 7 PHE N N 7 119.801 119.801 120.434 -0.633 18227 8524 1 25 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.744 -0.034 18227 8525 1 25 . 1 1 7 7 PHE C C 7 175.789 175.789 175.173 0.616 18227 8526 1 25 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.730 0.946 18227 8527 1 25 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.357 -1.188 18227 8528 1 25 . 1 1 7 7 PHE H H 7 8.072 8.072 7.974 0.098 18227 8529 1 25 . 1 1 8 8 ASP N N 8 117.963 117.963 126.018 -8.055 18227 8530 1 25 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.564 0.213 18227 8531 1 25 . 1 1 8 8 ASP C C 8 174.919 174.919 174.112 0.807 18227 8532 1 25 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.052 0.528 18227 8533 1 25 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.165 -3.442 18227 8534 1 25 . 1 1 8 8 ASP H H 8 8.184 8.184 8.183 0.001 18227 8535 1 25 . 1 1 9 9 ASN N N 9 117.736 117.736 117.296 0.440 18227 8536 1 25 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.339 0.451 18227 8537 1 25 . 1 1 9 9 ASN C C 9 174.974 174.974 175.006 -0.032 18227 8538 1 25 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.136 -0.400 18227 8539 1 25 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.565 0.005 18227 8540 1 25 . 1 1 9 9 ASN H H 9 8.080 8.080 7.016 1.064 18227 8541 1 25 . 1 1 10 10 TYR N N 10 119.580 119.580 117.965 1.615 18227 8542 1 25 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.122 0.504 18227 8543 1 25 . 1 1 10 10 TYR C C 10 175.935 175.935 175.361 0.574 18227 8544 1 25 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.456 -0.677 18227 8545 1 25 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.936 0.578 18227 8546 1 25 . 1 1 10 10 TYR H H 10 7.869 7.869 8.294 -0.425 18227 8547 1 25 . 1 1 11 11 TYR N N 11 120.254 120.254 120.818 -0.564 18227 8548 1 25 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.871 0.748 18227 8549 1 25 . 1 1 11 11 TYR C C 11 176.666 176.666 174.747 1.919 18227 8550 1 25 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.153 -0.297 18227 8551 1 25 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.314 1.174 18227 8552 1 25 . 1 1 11 11 TYR H H 11 7.906 7.906 8.162 -0.256 18227 8553 1 25 . 1 1 12 12 GLY N N 12 108.226 108.226 104.009 4.217 18227 8554 1 25 . 1 1 12 12 GLY C C 12 174.314 174.314 173.406 0.908 18227 8555 1 25 . 1 1 12 12 GLY CA C 12 45.780 45.780 46.132 -0.352 18227 8556 1 25 . 1 1 12 12 GLY H H 12 7.817 7.817 7.705 0.112 18227 8557 1 25 . 1 1 13 13 ALA N N 13 122.970 122.970 121.992 0.978 18227 8558 1 25 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.076 0.394 18227 8559 1 25 . 1 1 13 13 ALA C C 13 178.137 178.137 177.000 1.137 18227 8560 1 25 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.602 -0.152 18227 8561 1 25 . 1 1 13 13 ALA CB C 13 18.683 18.683 18.917 -0.234 18227 8562 1 25 . 1 1 13 13 ALA H H 13 7.913 7.913 7.955 -0.042 18227 8563 1 25 . 1 1 14 14 ASP N N 14 116.374 116.374 115.934 0.440 18227 8564 1 25 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.422 0.453 18227 8565 1 25 . 1 1 14 14 ASP C C 14 175.450 175.450 177.015 -1.565 18227 8566 1 25 . 1 1 14 14 ASP CA C 14 53.640 53.640 53.777 -0.137 18227 8567 1 25 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.354 -2.492 18227 8568 1 25 . 1 1 14 14 ASP H H 14 8.348 8.348 8.012 0.336 18227 8569 1 25 . 1 1 15 15 ASN N N 15 118.423 118.423 119.810 -1.387 18227 8570 1 25 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.281 0.589 18227 8571 1 25 . 1 1 15 15 ASN C C 15 176.054 176.054 176.482 -0.428 18227 8572 1 25 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.019 -1.591 18227 8573 1 25 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.043 0.639 18227 8574 1 25 . 1 1 15 15 ASN H H 15 8.272 8.272 8.544 -0.272 18227 8575 1 25 . 1 1 16 16 GLN N N 16 120.129 120.129 116.255 3.874 18227 8576 1 25 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.189 0.227 18227 8577 1 25 . 1 1 16 16 GLN C C 16 177.337 177.337 177.603 -0.266 18227 8578 1 25 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.029 0.227 18227 8579 1 25 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.232 0.552 18227 8580 1 25 . 1 1 16 16 GLN H H 16 8.481 8.481 8.447 0.034 18227 8581 1 25 . 1 1 17 17 SER N N 17 115.051 115.051 116.461 -1.410 18227 8582 1 25 . 1 1 17 17 SER HA H 17 4.505 4.505 4.221 0.284 18227 8583 1 25 . 1 1 17 17 SER C C 17 175.596 175.596 176.486 -0.890 18227 8584 1 25 . 1 1 17 17 SER CA C 17 60.767 60.767 60.485 0.282 18227 8585 1 25 . 1 1 17 17 SER CB C 17 63.325 63.325 63.372 -0.047 18227 8586 1 25 . 1 1 17 17 SER H H 17 8.380 8.380 7.956 0.424 18227 8587 1 25 . 1 1 18 18 GLU N N 18 120.901 120.901 121.773 -0.872 18227 8588 1 25 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.033 0.426 18227 8589 1 25 . 1 1 18 18 GLU C C 18 177.867 177.867 178.606 -0.739 18227 8590 1 25 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.172 -0.949 18227 8591 1 25 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.817 -0.752 18227 8592 1 25 . 1 1 18 18 GLU H H 18 8.233 8.233 8.216 0.017 18227 8593 1 25 . 1 1 19 19 CYS N N 19 118.899 118.899 116.833 2.066 18227 8594 1 25 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.287 0.189 18227 8595 1 25 . 1 1 19 19 CYS C C 19 175.896 175.896 176.133 -0.237 18227 8596 1 25 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.083 -0.821 18227 8597 1 25 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.075 -1.016 18227 8598 1 25 . 1 1 19 19 CYS H H 19 8.245 8.245 7.777 0.468 18227 8599 1 25 . 1 1 20 20 GLU N N 20 120.324 120.324 118.493 1.831 18227 8600 1 25 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.335 -0.008 18227 8601 1 25 . 1 1 20 20 GLU C C 20 177.163 177.163 177.763 -0.600 18227 8602 1 25 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.108 1.264 18227 8603 1 25 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.904 -1.860 18227 8604 1 25 . 1 1 20 20 GLU H H 20 8.299 8.299 8.355 -0.056 18227 8605 1 25 . 1 1 21 21 TYR N N 21 118.601 118.601 122.438 -3.837 18227 8606 1 25 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.270 0.335 18227 8607 1 25 . 1 1 21 21 TYR C C 21 177.166 177.166 176.853 0.313 18227 8608 1 25 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.319 -1.913 18227 8609 1 25 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.601 -0.123 18227 8610 1 25 . 1 1 21 21 TYR H H 21 8.165 8.165 8.638 -0.473 18227 8611 1 25 . 1 1 22 22 THR N N 22 112.362 112.362 110.426 1.936 18227 8612 1 25 . 1 1 22 22 THR HA H 22 4.203 4.203 4.227 -0.024 18227 8613 1 25 . 1 1 22 22 THR C C 22 176.226 176.226 174.939 1.287 18227 8614 1 25 . 1 1 22 22 THR CA C 22 64.825 64.825 64.550 0.275 18227 8615 1 25 . 1 1 22 22 THR CB C 22 69.471 69.471 68.315 1.156 18227 8616 1 25 . 1 1 22 22 THR H H 22 8.063 8.063 8.245 -0.182 18227 8617 1 25 . 1 1 23 23 ASP N N 23 121.414 121.414 122.665 -1.251 18227 8618 1 25 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.620 0.123 18227 8619 1 25 . 1 1 23 23 ASP C C 23 176.664 176.664 177.084 -0.420 18227 8620 1 25 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.945 -0.786 18227 8621 1 25 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.412 -3.937 18227 8622 1 25 . 1 1 23 23 ASP H H 23 8.355 8.355 8.071 0.284 18227 8623 1 25 . 1 1 24 24 TRP N N 24 121.858 121.858 122.845 -0.987 18227 8624 1 25 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.020 0.620 18227 8625 1 25 . 1 1 24 24 TRP C C 24 178.311 178.311 177.698 0.613 18227 8626 1 25 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.198 -1.554 18227 8627 1 25 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.289 -0.546 18227 8628 1 25 . 1 1 24 24 TRP H H 24 8.363 8.363 8.664 -0.301 18227 8629 1 25 . 1 1 25 25 LYS N N 25 120.099 120.099 116.996 3.103 18227 8630 1 25 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.323 1.753 18227 8631 1 25 . 1 1 25 25 LYS C C 25 177.946 177.946 178.069 -0.123 18227 8632 1 25 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.085 0.049 18227 8633 1 25 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.574 0.696 18227 8634 1 25 . 1 1 25 25 LYS H H 25 8.291 8.291 7.235 1.056 18227 8635 1 25 . 1 1 26 26 SER N N 26 113.558 113.558 112.506 1.052 18227 8636 1 25 . 1 1 26 26 SER HA H 26 4.541 4.541 4.292 0.249 18227 8637 1 25 . 1 1 26 26 SER C C 26 175.212 175.212 175.953 -0.741 18227 8638 1 25 . 1 1 26 26 SER CA C 26 59.813 59.813 60.188 -0.374 18227 8639 1 25 . 1 1 26 26 SER CB C 26 63.672 63.672 64.038 -0.366 18227 8640 1 25 . 1 1 26 26 SER H H 26 8.088 8.088 7.899 0.189 18227 8641 1 25 . 1 1 27 27 SER N N 27 116.456 116.456 117.771 -1.315 18227 8642 1 25 . 1 1 27 27 SER HA H 27 4.534 4.534 4.375 0.159 18227 8643 1 25 . 1 1 27 27 SER C C 27 175.216 175.216 175.901 -0.685 18227 8644 1 25 . 1 1 27 27 SER CA C 27 60.042 60.042 60.010 0.032 18227 8645 1 25 . 1 1 27 27 SER CB C 27 63.782 63.782 63.053 0.729 18227 8646 1 25 . 1 1 27 27 SER H H 27 8.025 8.025 8.485 -0.460 18227 8647 1 25 . 1 1 28 28 GLY N N 28 108.769 108.769 108.869 -0.100 18227 8648 1 25 . 1 1 28 28 GLY C C 28 174.198 174.198 173.946 0.252 18227 8649 1 25 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.855 1.020 18227 8650 1 25 . 1 1 28 28 GLY H H 28 8.051 8.051 7.840 0.211 18227 8651 1 25 . 1 1 29 29 ALA N N 29 121.719 121.719 123.662 -1.943 18227 8652 1 25 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.454 -0.043 18227 8653 1 25 . 1 1 29 29 ALA C C 29 177.554 177.554 176.507 1.047 18227 8654 1 25 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.485 0.600 18227 8655 1 25 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.791 0.984 18227 8656 1 25 . 1 1 29 29 ALA H H 29 7.749 7.749 7.540 0.209 18227 8657 1 25 . 1 1 30 30 LEU N N 30 118.220 118.220 111.844 6.376 18227 8658 1 25 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.492 0.054 18227 8659 1 25 . 1 1 30 30 LEU C C 30 176.978 176.978 177.108 -0.130 18227 8660 1 25 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.850 -0.183 18227 8661 1 25 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.191 0.565 18227 8662 1 25 . 1 1 30 30 LEU H H 30 7.660 7.660 7.233 0.427 18227 8663 1 25 . 1 1 31 31 ILE N N 31 118.934 118.934 122.415 -3.481 18227 8664 1 25 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.099 0.286 18227 8665 1 25 . 1 1 31 31 ILE C C 31 175.025 175.025 174.769 0.256 18227 8666 1 25 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.576 -3.900 18227 8667 1 25 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.157 1.414 18227 8668 1 25 . 1 1 31 31 ILE H H 31 7.446 7.446 7.528 -0.082 18227 8669 1 25 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.281 0.198 18227 8670 1 25 . 1 1 32 32 PRO C C 32 177.601 177.601 177.684 -0.083 18227 8671 1 25 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.685 -0.365 18227 8672 1 25 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.687 0.548 18227 8673 1 25 . 1 1 33 33 ALA N N 33 118.822 118.822 121.780 -2.958 18227 8674 1 25 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.094 0.273 18227 8675 1 25 . 1 1 33 33 ALA C C 33 179.269 179.269 179.522 -0.253 18227 8676 1 25 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.138 -0.321 18227 8677 1 25 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.244 -0.352 18227 8678 1 25 . 1 1 33 33 ALA H H 33 7.293 7.293 7.465 -0.172 18227 8679 1 25 . 1 1 34 34 ILE N N 34 116.953 116.953 118.585 -1.632 18227 8680 1 25 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.795 0.295 18227 8681 1 25 . 1 1 34 34 ILE C C 34 177.061 177.061 178.149 -1.088 18227 8682 1 25 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.595 0.390 18227 8683 1 25 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.509 0.610 18227 8684 1 25 . 1 1 34 34 ILE H H 34 7.766 7.766 7.997 -0.231 18227 8685 1 25 . 1 1 35 35 TYR N N 35 118.432 118.432 120.460 -2.028 18227 8686 1 25 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.093 0.275 18227 8687 1 25 . 1 1 35 35 TYR C C 35 178.052 178.052 177.877 0.175 18227 8688 1 25 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.353 -1.231 18227 8689 1 25 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.722 -0.786 18227 8690 1 25 . 1 1 35 35 TYR H H 35 7.988 7.988 7.743 0.245 18227 8691 1 25 . 1 1 36 36 MET N N 36 117.042 117.042 118.494 -1.452 18227 8692 1 25 . 1 1 36 36 MET HA H 36 4.534 4.534 4.144 0.390 18227 8693 1 25 . 1 1 36 36 MET C C 36 177.734 177.734 178.632 -0.898 18227 8694 1 25 . 1 1 36 36 MET CA C 36 58.272 58.272 58.339 -0.067 18227 8695 1 25 . 1 1 36 36 MET CB C 36 31.979 31.979 31.921 0.058 18227 8696 1 25 . 1 1 36 36 MET H H 36 7.934 7.934 8.664 -0.730 18227 8697 1 25 . 1 1 37 37 LEU N N 37 120.539 120.539 119.658 0.881 18227 8698 1 25 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.067 0.276 18227 8699 1 25 . 1 1 37 37 LEU C C 37 178.746 178.746 179.046 -0.300 18227 8700 1 25 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.487 0.225 18227 8701 1 25 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.005 0.033 18227 8702 1 25 . 1 1 37 37 LEU H H 37 8.013 8.013 7.730 0.283 18227 8703 1 25 . 1 1 38 38 VAL N N 38 117.729 117.729 116.588 1.141 18227 8704 1 25 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.786 -0.009 18227 8705 1 25 . 1 1 38 38 VAL C C 38 179.009 179.009 176.869 2.140 18227 8706 1 25 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.814 2.385 18227 8707 1 25 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.084 0.581 18227 8708 1 25 . 1 1 38 38 VAL H H 38 8.360 8.360 7.607 0.753 18227 8709 1 25 . 1 1 39 39 PHE N N 39 120.549 120.549 120.189 0.360 18227 8710 1 25 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.638 -0.213 18227 8711 1 25 . 1 1 39 39 PHE C C 39 179.129 179.129 175.767 3.362 18227 8712 1 25 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.190 2.332 18227 8713 1 25 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.439 -2.336 18227 8714 1 25 . 1 1 39 39 PHE H H 39 8.225 8.225 7.927 0.298 18227 8715 1 25 . 1 1 40 40 LEU N N 40 122.778 122.778 114.776 8.002 18227 8716 1 25 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.468 -0.301 18227 8717 1 25 . 1 1 40 40 LEU C C 40 180.673 180.673 177.213 3.460 18227 8718 1 25 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.764 2.874 18227 8719 1 25 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.560 -0.396 18227 8720 1 25 . 1 1 40 40 LEU H H 40 8.874 8.874 8.220 0.654 18227 8721 1 25 . 1 1 41 41 LEU N N 41 122.144 122.144 116.055 6.089 18227 8722 1 25 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.680 -0.444 18227 8723 1 25 . 1 1 41 41 LEU C C 41 180.709 180.709 178.349 2.360 18227 8724 1 25 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.174 2.296 18227 8725 1 25 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.075 -1.297 18227 8726 1 25 . 1 1 41 41 LEU H H 41 9.193 9.193 7.612 1.581 18227 8727 1 25 . 1 1 42 42 GLY N N 42 107.124 107.124 107.284 -0.160 18227 8728 1 25 . 1 1 42 42 GLY C C 42 176.537 176.537 174.596 1.941 18227 8729 1 25 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.988 0.745 18227 8730 1 25 . 1 1 42 42 GLY H H 42 8.755 8.755 8.171 0.584 18227 8731 1 25 . 1 1 43 43 THR N N 43 113.411 113.411 113.261 0.150 18227 8732 1 25 . 1 1 43 43 THR HA H 43 4.299 4.299 4.538 -0.239 18227 8733 1 25 . 1 1 43 43 THR C C 43 176.797 176.797 173.877 2.920 18227 8734 1 25 . 1 1 43 43 THR CA C 43 64.990 64.990 61.502 3.487 18227 8735 1 25 . 1 1 43 43 THR CB C 43 69.731 69.731 69.260 0.471 18227 8736 1 25 . 1 1 43 43 THR H H 43 8.179 8.179 7.762 0.417 18227 8737 1 25 . 1 1 44 44 THR N N 44 114.667 114.667 116.376 -1.709 18227 8738 1 25 . 1 1 44 44 THR HA H 44 4.366 4.366 4.434 -0.068 18227 8739 1 25 . 1 1 44 44 THR C C 44 176.375 176.375 175.283 1.092 18227 8740 1 25 . 1 1 44 44 THR CA C 44 64.833 64.833 63.836 0.997 18227 8741 1 25 . 1 1 44 44 THR CB C 44 69.988 69.988 70.756 -0.768 18227 8742 1 25 . 1 1 44 44 THR H H 44 8.026 8.026 7.585 0.441 18227 8743 1 25 . 1 1 45 45 GLY N N 45 109.336 109.336 109.352 -0.016 18227 8744 1 25 . 1 1 45 45 GLY C C 45 174.924 174.924 174.809 0.115 18227 8745 1 25 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.087 1.639 18227 8746 1 25 . 1 1 45 45 GLY H H 45 8.261 8.261 7.896 0.365 18227 8747 1 25 . 1 1 46 46 ASN N N 46 117.547 117.547 119.862 -2.315 18227 8748 1 25 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.721 0.018 18227 8749 1 25 . 1 1 46 46 ASN C C 46 176.815 176.815 177.175 -0.360 18227 8750 1 25 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.391 -0.041 18227 8751 1 25 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.116 -0.623 18227 8752 1 25 . 1 1 46 46 ASN H H 46 8.083 8.083 8.227 -0.144 18227 8753 1 25 . 1 1 47 47 GLY N N 47 106.960 106.960 108.912 -1.952 18227 8754 1 25 . 1 1 47 47 GLY C C 47 175.001 175.001 176.581 -1.580 18227 8755 1 25 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.166 -0.179 18227 8756 1 25 . 1 1 47 47 GLY H H 47 8.318 8.318 8.561 -0.243 18227 8757 1 25 . 1 1 48 48 LEU N N 48 120.991 120.991 121.994 -1.003 18227 8758 1 25 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.126 0.363 18227 8759 1 25 . 1 1 48 48 LEU C C 48 180.375 180.375 178.645 1.730 18227 8760 1 25 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.456 0.792 18227 8761 1 25 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.936 0.111 18227 8762 1 25 . 1 1 48 48 LEU H H 48 7.999 7.999 7.774 0.225 18227 8763 1 25 . 1 1 49 49 VAL N N 49 121.040 121.040 118.737 2.303 18227 8764 1 25 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.608 0.225 18227 8765 1 25 . 1 1 49 49 VAL C C 49 178.016 178.016 177.869 0.147 18227 8766 1 25 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.938 0.279 18227 8767 1 25 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.840 0.100 18227 8768 1 25 . 1 1 49 49 VAL H H 49 7.989 7.989 7.372 0.617 18227 8769 1 25 . 1 1 50 50 LEU N N 50 119.986 119.986 119.312 0.674 18227 8770 1 25 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.931 0.266 18227 8771 1 25 . 1 1 50 50 LEU C C 50 178.823 178.823 179.345 -0.522 18227 8772 1 25 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.070 0.620 18227 8773 1 25 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.630 0.035 18227 8774 1 25 . 1 1 50 50 LEU H H 50 7.926 7.926 7.940 -0.014 18227 8775 1 25 . 1 1 51 51 TRP N N 51 117.842 117.842 120.834 -2.992 18227 8776 1 25 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.485 0.202 18227 8777 1 25 . 1 1 51 51 TRP C C 51 178.729 178.729 178.607 0.122 18227 8778 1 25 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.162 -0.782 18227 8779 1 25 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.792 -0.251 18227 8780 1 25 . 1 1 51 51 TRP H H 51 8.525 8.525 8.161 0.364 18227 8781 1 25 . 1 1 52 52 THR N N 52 114.722 114.722 117.651 -2.929 18227 8782 1 25 . 1 1 52 52 THR HA H 52 4.007 4.007 3.659 0.348 18227 8783 1 25 . 1 1 52 52 THR C C 52 176.228 176.228 176.898 -0.670 18227 8784 1 25 . 1 1 52 52 THR CA C 52 67.517 67.517 67.200 0.317 18227 8785 1 25 . 1 1 52 52 THR CB C 52 69.051 69.051 69.002 0.049 18227 8786 1 25 . 1 1 52 52 THR H H 52 8.248 8.248 8.586 -0.338 18227 8787 1 25 . 1 1 53 53 VAL N N 53 123.008 123.008 122.358 0.650 18227 8788 1 25 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.658 0.090 18227 8789 1 25 . 1 1 53 53 VAL C C 53 178.474 178.474 176.854 1.620 18227 8790 1 25 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.362 1.093 18227 8791 1 25 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.288 0.552 18227 8792 1 25 . 1 1 53 53 VAL H H 53 8.634 8.634 8.794 -0.160 18227 8793 1 25 . 1 1 54 54 PHE N N 54 119.554 119.554 117.735 1.819 18227 8794 1 25 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.179 0.231 18227 8795 1 25 . 1 1 54 54 PHE C C 54 179.173 179.173 176.791 2.382 18227 8796 1 25 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.306 -0.219 18227 8797 1 25 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.672 0.118 18227 8798 1 25 . 1 1 54 54 PHE H H 54 8.860 8.860 7.709 1.151 18227 8799 1 25 . 1 1 55 55 ARG N N 55 118.355 118.355 116.100 2.255 18227 8800 1 25 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.413 -0.293 18227 8801 1 25 . 1 1 55 55 ARG C C 55 178.719 178.719 176.064 2.655 18227 8802 1 25 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.647 2.329 18227 8803 1 25 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.673 -0.595 18227 8804 1 25 . 1 1 55 55 ARG H H 55 8.296 8.296 7.490 0.806 18227 8805 1 25 . 1 1 56 56 LYS N N 56 119.698 119.698 117.579 2.119 18227 8806 1 25 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.376 -0.083 18227 8807 1 25 . 1 1 56 56 LYS C C 56 178.742 178.742 177.074 1.668 18227 8808 1 25 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.824 1.227 18227 8809 1 25 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.091 -1.320 18227 8810 1 25 . 1 1 56 56 LYS H H 56 8.377 8.377 8.264 0.113 18227 8811 1 25 . 1 1 57 57 LYS N N 57 119.104 119.104 120.064 -0.960 18227 8812 1 25 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.433 -0.088 18227 8813 1 25 . 1 1 57 57 LYS C C 57 178.311 178.311 177.487 0.824 18227 8814 1 25 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.940 0.192 18227 8815 1 25 . 1 1 57 57 LYS CB C 57 32.690 32.690 34.050 -1.360 18227 8816 1 25 . 1 1 57 57 LYS H H 57 8.610 8.610 8.349 0.261 18227 8817 1 25 . 1 1 58 58 GLY N N 58 106.684 106.684 106.563 0.121 18227 8818 1 25 . 1 1 58 58 GLY C C 58 174.451 174.451 175.251 -0.800 18227 8819 1 25 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.202 -0.289 18227 8820 1 25 . 1 1 58 58 GLY H H 58 8.154 8.154 7.580 0.574 18227 8821 1 25 . 1 1 59 59 HIS N N 59 116.995 116.995 117.840 -0.845 18227 8822 1 25 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.146 0.629 18227 8823 1 25 . 1 1 59 59 HIS C C 59 174.529 174.529 174.650 -0.121 18227 8824 1 25 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.953 -1.813 18227 8825 1 25 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.700 -1.073 18227 8826 1 25 . 1 1 59 59 HIS H H 59 8.106 8.106 8.290 -0.184 18227 8827 1 25 . 1 1 60 60 HIS N N 60 117.887 117.887 116.961 0.926 18227 8828 1 25 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.683 0.163 18227 8829 1 25 . 1 1 60 60 HIS C C 60 174.247 174.247 174.018 0.229 18227 8830 1 25 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.088 0.819 18227 8831 1 25 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.488 -0.439 18227 8832 1 25 . 1 1 60 60 HIS H H 60 8.425 8.425 7.309 1.116 18227 8833 1 25 . 1 1 61 61 HIS N N 61 118.329 118.329 122.302 -3.973 18227 8834 1 25 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.525 0.348 18227 8835 1 25 . 1 1 61 61 HIS C C 61 174.139 174.139 175.567 -1.428 18227 8836 1 25 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.098 -0.304 18227 8837 1 25 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.077 -0.807 18227 8838 1 25 . 1 1 61 61 HIS H H 61 8.573 8.573 8.526 0.047 18227 8839 1 25 . 1 1 62 62 HIS N N 62 118.968 118.968 117.867 1.101 18227 8840 1 25 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.079 0.796 18227 8841 1 25 . 1 1 62 62 HIS C C 62 173.827 173.827 176.982 -3.155 18227 8842 1 25 . 1 1 62 62 HIS CA C 62 55.768 55.768 59.027 -3.259 18227 8843 1 25 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.401 0.867 18227 8844 1 25 . 1 1 62 62 HIS H H 62 8.662 8.662 8.362 0.300 18227 8845 1 25 . 1 1 63 63 HIS N N 63 118.949 118.949 120.756 -1.807 18227 8846 1 25 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.890 -0.040 18227 8847 1 25 . 1 1 63 63 HIS C C 63 173.433 173.433 174.931 -1.498 18227 8848 1 25 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.873 0.916 18227 8849 1 25 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.922 1.540 18227 8850 1 25 . 1 1 63 63 HIS H H 63 8.518 8.518 8.235 0.283 18227 8851 1 26 . 1 1 2 2 GLU N N 2 122.322 122.322 121.308 1.014 18227 8852 1 26 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.208 0.470 18227 8853 1 26 . 1 1 2 2 GLU C C 2 175.160 175.160 175.543 -0.383 18227 8854 1 26 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.919 -0.826 18227 8855 1 26 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.999 -0.824 18227 8856 1 26 . 1 1 2 2 GLU H H 2 8.641 8.641 8.442 0.199 18227 8857 1 26 . 1 1 3 3 GLU N N 3 121.391 121.391 119.800 1.591 18227 8858 1 26 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.448 0.182 18227 8859 1 26 . 1 1 3 3 GLU C C 3 176.097 176.097 175.842 0.255 18227 8860 1 26 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.766 -0.679 18227 8861 1 26 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.769 -0.585 18227 8862 1 26 . 1 1 3 3 GLU H H 3 8.448 8.448 8.709 -0.261 18227 8863 1 26 . 1 1 4 4 GLY N N 4 109.002 109.002 108.860 0.142 18227 8864 1 26 . 1 1 4 4 GLY C C 4 174.407 174.407 173.973 0.434 18227 8865 1 26 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.572 -0.127 18227 8866 1 26 . 1 1 4 4 GLY H H 4 8.333 8.333 8.300 0.033 18227 8867 1 26 . 1 1 5 5 GLY N N 5 107.419 107.419 110.022 -2.603 18227 8868 1 26 . 1 1 5 5 GLY C C 5 173.914 173.914 172.778 1.136 18227 8869 1 26 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.145 0.345 18227 8870 1 26 . 1 1 5 5 GLY H H 5 8.120 8.120 8.698 -0.578 18227 8871 1 26 . 1 1 6 6 ASP N N 6 117.918 117.918 120.086 -2.168 18227 8872 1 26 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.882 0.024 18227 8873 1 26 . 1 1 6 6 ASP C C 6 175.114 175.114 175.884 -0.770 18227 8874 1 26 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.218 -0.099 18227 8875 1 26 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.566 -2.607 18227 8876 1 26 . 1 1 6 6 ASP H H 6 8.204 8.204 7.777 0.427 18227 8877 1 26 . 1 1 7 7 PHE N N 7 119.801 119.801 120.707 -0.906 18227 8878 1 26 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.358 0.352 18227 8879 1 26 . 1 1 7 7 PHE C C 7 175.789 175.789 175.510 0.279 18227 8880 1 26 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.697 0.980 18227 8881 1 26 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.923 -0.754 18227 8882 1 26 . 1 1 7 7 PHE H H 7 8.072 8.072 7.765 0.307 18227 8883 1 26 . 1 1 8 8 ASP N N 8 117.963 117.963 118.736 -0.773 18227 8884 1 26 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.306 0.471 18227 8885 1 26 . 1 1 8 8 ASP C C 8 174.919 174.919 176.686 -1.767 18227 8886 1 26 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.984 -1.404 18227 8887 1 26 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.968 -2.245 18227 8888 1 26 . 1 1 8 8 ASP H H 8 8.184 8.184 8.583 -0.399 18227 8889 1 26 . 1 1 9 9 ASN N N 9 117.736 117.736 118.481 -0.745 18227 8890 1 26 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.462 0.328 18227 8891 1 26 . 1 1 9 9 ASN C C 9 174.974 174.974 177.131 -2.157 18227 8892 1 26 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.882 -2.146 18227 8893 1 26 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.330 0.240 18227 8894 1 26 . 1 1 9 9 ASN H H 9 8.080 8.080 8.536 -0.456 18227 8895 1 26 . 1 1 10 10 TYR N N 10 119.580 119.580 116.540 3.040 18227 8896 1 26 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.600 0.026 18227 8897 1 26 . 1 1 10 10 TYR C C 10 175.935 175.935 175.215 0.720 18227 8898 1 26 . 1 1 10 10 TYR CA C 10 58.779 58.779 57.213 1.566 18227 8899 1 26 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.660 1.854 18227 8900 1 26 . 1 1 10 10 TYR H H 10 7.869 7.869 8.241 -0.372 18227 8901 1 26 . 1 1 11 11 TYR N N 11 120.254 120.254 119.777 0.477 18227 8902 1 26 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.641 -0.022 18227 8903 1 26 . 1 1 11 11 TYR C C 11 176.666 176.666 174.644 2.022 18227 8904 1 26 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.125 0.731 18227 8905 1 26 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.725 -1.237 18227 8906 1 26 . 1 1 11 11 TYR H H 11 7.906 7.906 7.876 0.030 18227 8907 1 26 . 1 1 12 12 GLY N N 12 108.226 108.226 105.385 2.841 18227 8908 1 26 . 1 1 12 12 GLY C C 12 174.314 174.314 172.940 1.374 18227 8909 1 26 . 1 1 12 12 GLY CA C 12 45.780 45.780 46.095 -0.315 18227 8910 1 26 . 1 1 12 12 GLY H H 12 7.817 7.817 7.754 0.063 18227 8911 1 26 . 1 1 13 13 ALA N N 13 122.970 122.970 122.288 0.682 18227 8912 1 26 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.577 -0.107 18227 8913 1 26 . 1 1 13 13 ALA C C 13 178.137 178.137 177.430 0.707 18227 8914 1 26 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.143 1.307 18227 8915 1 26 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.148 -1.464 18227 8916 1 26 . 1 1 13 13 ALA H H 13 7.913 7.913 7.935 -0.022 18227 8917 1 26 . 1 1 14 14 ASP N N 14 116.374 116.374 119.405 -3.031 18227 8918 1 26 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.402 0.473 18227 8919 1 26 . 1 1 14 14 ASP C C 14 175.450 175.450 177.487 -2.037 18227 8920 1 26 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.576 -1.936 18227 8921 1 26 . 1 1 14 14 ASP CB C 14 37.862 37.862 39.874 -2.012 18227 8922 1 26 . 1 1 14 14 ASP H H 14 8.348 8.348 8.506 -0.158 18227 8923 1 26 . 1 1 15 15 ASN N N 15 118.423 118.423 119.039 -0.616 18227 8924 1 26 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.202 0.668 18227 8925 1 26 . 1 1 15 15 ASN C C 15 176.054 176.054 176.816 -0.762 18227 8926 1 26 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.280 -1.852 18227 8927 1 26 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.386 0.296 18227 8928 1 26 . 1 1 15 15 ASN H H 15 8.272 8.272 8.767 -0.495 18227 8929 1 26 . 1 1 16 16 GLN N N 16 120.129 120.129 117.412 2.717 18227 8930 1 26 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.161 0.255 18227 8931 1 26 . 1 1 16 16 GLN C C 16 177.337 177.337 177.913 -0.576 18227 8932 1 26 . 1 1 16 16 GLN CA C 16 58.256 58.256 58.358 -0.102 18227 8933 1 26 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.761 0.024 18227 8934 1 26 . 1 1 16 16 GLN H H 16 8.481 8.481 8.390 0.091 18227 8935 1 26 . 1 1 17 17 SER N N 17 115.051 115.051 116.441 -1.390 18227 8936 1 26 . 1 1 17 17 SER HA H 17 4.505 4.505 4.090 0.415 18227 8937 1 26 . 1 1 17 17 SER C C 17 175.596 175.596 176.285 -0.689 18227 8938 1 26 . 1 1 17 17 SER CA C 17 60.767 60.767 61.337 -0.570 18227 8939 1 26 . 1 1 17 17 SER CB C 17 63.325 63.325 62.909 0.416 18227 8940 1 26 . 1 1 17 17 SER H H 17 8.380 8.380 7.664 0.716 18227 8941 1 26 . 1 1 18 18 GLU N N 18 120.901 120.901 121.083 -0.182 18227 8942 1 26 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.065 0.394 18227 8943 1 26 . 1 1 18 18 GLU C C 18 177.867 177.867 179.456 -1.589 18227 8944 1 26 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.038 -0.815 18227 8945 1 26 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.936 -1.871 18227 8946 1 26 . 1 1 18 18 GLU H H 18 8.233 8.233 8.131 0.102 18227 8947 1 26 . 1 1 19 19 CYS N N 19 118.899 118.899 115.425 3.474 18227 8948 1 26 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.253 0.223 18227 8949 1 26 . 1 1 19 19 CYS C C 19 175.896 175.896 176.132 -0.236 18227 8950 1 26 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.300 -1.038 18227 8951 1 26 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.829 0.230 18227 8952 1 26 . 1 1 19 19 CYS H H 19 8.245 8.245 8.149 0.096 18227 8953 1 26 . 1 1 20 20 GLU N N 20 120.324 120.324 117.748 2.576 18227 8954 1 26 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.392 -0.065 18227 8955 1 26 . 1 1 20 20 GLU C C 20 177.163 177.163 176.695 0.468 18227 8956 1 26 . 1 1 20 20 GLU CA C 20 58.372 58.372 55.701 2.671 18227 8957 1 26 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.268 -1.224 18227 8958 1 26 . 1 1 20 20 GLU H H 20 8.299 8.299 7.818 0.481 18227 8959 1 26 . 1 1 21 21 TYR N N 21 118.601 118.601 121.905 -3.304 18227 8960 1 26 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.485 0.120 18227 8961 1 26 . 1 1 21 21 TYR C C 21 177.166 177.166 176.773 0.393 18227 8962 1 26 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.905 -1.499 18227 8963 1 26 . 1 1 21 21 TYR CB C 21 38.478 38.478 39.356 -0.878 18227 8964 1 26 . 1 1 21 21 TYR H H 21 8.165 8.165 8.643 -0.478 18227 8965 1 26 . 1 1 22 22 THR N N 22 112.362 112.362 112.274 0.088 18227 8966 1 26 . 1 1 22 22 THR HA H 22 4.203 4.203 4.218 -0.015 18227 8967 1 26 . 1 1 22 22 THR C C 22 176.226 176.226 175.502 0.724 18227 8968 1 26 . 1 1 22 22 THR CA C 22 64.825 64.825 64.807 0.018 18227 8969 1 26 . 1 1 22 22 THR CB C 22 69.471 69.471 68.647 0.824 18227 8970 1 26 . 1 1 22 22 THR H H 22 8.063 8.063 8.103 -0.040 18227 8971 1 26 . 1 1 23 23 ASP N N 23 121.414 121.414 120.006 1.408 18227 8972 1 26 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.762 -0.019 18227 8973 1 26 . 1 1 23 23 ASP C C 23 176.664 176.664 177.417 -0.753 18227 8974 1 26 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.076 -1.917 18227 8975 1 26 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.844 -4.369 18227 8976 1 26 . 1 1 23 23 ASP H H 23 8.355 8.355 7.791 0.564 18227 8977 1 26 . 1 1 24 24 TRP N N 24 121.858 121.858 123.398 -1.540 18227 8978 1 26 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.078 0.562 18227 8979 1 26 . 1 1 24 24 TRP C C 24 178.311 178.311 177.414 0.897 18227 8980 1 26 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.640 -0.996 18227 8981 1 26 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.290 -0.547 18227 8982 1 26 . 1 1 24 24 TRP H H 24 8.363 8.363 8.131 0.232 18227 8983 1 26 . 1 1 25 25 LYS N N 25 120.099 120.099 117.174 2.925 18227 8984 1 26 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.102 1.974 18227 8985 1 26 . 1 1 25 25 LYS C C 25 177.946 177.946 177.888 0.058 18227 8986 1 26 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.122 0.012 18227 8987 1 26 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.870 0.400 18227 8988 1 26 . 1 1 25 25 LYS H H 25 8.291 8.291 7.494 0.797 18227 8989 1 26 . 1 1 26 26 SER N N 26 113.558 113.558 111.976 1.582 18227 8990 1 26 . 1 1 26 26 SER HA H 26 4.541 4.541 4.364 0.177 18227 8991 1 26 . 1 1 26 26 SER C C 26 175.212 175.212 175.314 -0.102 18227 8992 1 26 . 1 1 26 26 SER CA C 26 59.813 59.813 60.194 -0.381 18227 8993 1 26 . 1 1 26 26 SER CB C 26 63.672 63.672 64.696 -1.024 18227 8994 1 26 . 1 1 26 26 SER H H 26 8.088 8.088 8.003 0.085 18227 8995 1 26 . 1 1 27 27 SER N N 27 116.456 116.456 115.781 0.675 18227 8996 1 26 . 1 1 27 27 SER HA H 27 4.534 4.534 4.572 -0.038 18227 8997 1 26 . 1 1 27 27 SER C C 27 175.216 175.216 175.339 -0.123 18227 8998 1 26 . 1 1 27 27 SER CA C 27 60.042 60.042 58.498 1.544 18227 8999 1 26 . 1 1 27 27 SER CB C 27 63.782 63.782 63.194 0.588 18227 9000 1 26 . 1 1 27 27 SER H H 27 8.025 8.025 8.323 -0.298 18227 9001 1 26 . 1 1 28 28 GLY N N 28 108.769 108.769 107.781 0.988 18227 9002 1 26 . 1 1 28 28 GLY C C 28 174.198 174.198 172.412 1.786 18227 9003 1 26 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.317 0.558 18227 9004 1 26 . 1 1 28 28 GLY H H 28 8.051 8.051 7.825 0.226 18227 9005 1 26 . 1 1 29 29 ALA N N 29 121.719 121.719 121.139 0.580 18227 9006 1 26 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.451 -0.040 18227 9007 1 26 . 1 1 29 29 ALA C C 29 177.554 177.554 176.349 1.205 18227 9008 1 26 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.380 -0.295 18227 9009 1 26 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.931 -0.157 18227 9010 1 26 . 1 1 29 29 ALA H H 29 7.749 7.749 7.706 0.043 18227 9011 1 26 . 1 1 30 30 LEU N N 30 118.220 118.220 113.106 5.114 18227 9012 1 26 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.433 0.113 18227 9013 1 26 . 1 1 30 30 LEU C C 30 176.978 176.978 177.582 -0.604 18227 9014 1 26 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.944 -0.277 18227 9015 1 26 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.839 0.917 18227 9016 1 26 . 1 1 30 30 LEU H H 30 7.660 7.660 7.660 0.000 18227 9017 1 26 . 1 1 31 31 ILE N N 31 118.934 118.934 120.123 -1.189 18227 9018 1 26 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.173 0.212 18227 9019 1 26 . 1 1 31 31 ILE C C 31 175.025 175.025 174.968 0.057 18227 9020 1 26 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.674 -2.998 18227 9021 1 26 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.554 2.017 18227 9022 1 26 . 1 1 31 31 ILE H H 31 7.446 7.446 8.165 -0.719 18227 9023 1 26 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.304 0.175 18227 9024 1 26 . 1 1 32 32 PRO C C 32 177.601 177.601 177.954 -0.353 18227 9025 1 26 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.000 -0.680 18227 9026 1 26 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.652 0.583 18227 9027 1 26 . 1 1 33 33 ALA N N 33 118.822 118.822 121.640 -2.818 18227 9028 1 26 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.124 0.243 18227 9029 1 26 . 1 1 33 33 ALA C C 33 179.269 179.269 179.561 -0.292 18227 9030 1 26 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.067 -0.250 18227 9031 1 26 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.276 -0.384 18227 9032 1 26 . 1 1 33 33 ALA H H 33 7.293 7.293 7.410 -0.117 18227 9033 1 26 . 1 1 34 34 ILE N N 34 116.953 116.953 119.377 -2.424 18227 9034 1 26 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.768 0.322 18227 9035 1 26 . 1 1 34 34 ILE C C 34 177.061 177.061 178.059 -0.998 18227 9036 1 26 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.508 0.477 18227 9037 1 26 . 1 1 34 34 ILE CB C 34 38.119 38.119 36.985 1.134 18227 9038 1 26 . 1 1 34 34 ILE H H 34 7.766 7.766 7.947 -0.181 18227 9039 1 26 . 1 1 35 35 TYR N N 35 118.432 118.432 120.240 -1.808 18227 9040 1 26 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.032 0.336 18227 9041 1 26 . 1 1 35 35 TYR C C 35 178.052 178.052 178.416 -0.364 18227 9042 1 26 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.451 -1.329 18227 9043 1 26 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.315 -0.379 18227 9044 1 26 . 1 1 35 35 TYR H H 35 7.988 7.988 8.111 -0.123 18227 9045 1 26 . 1 1 36 36 MET N N 36 117.042 117.042 117.594 -0.552 18227 9046 1 26 . 1 1 36 36 MET HA H 36 4.534 4.534 4.109 0.425 18227 9047 1 26 . 1 1 36 36 MET C C 36 177.734 177.734 178.725 -0.991 18227 9048 1 26 . 1 1 36 36 MET CA C 36 58.272 58.272 58.337 -0.065 18227 9049 1 26 . 1 1 36 36 MET CB C 36 31.979 31.979 31.845 0.134 18227 9050 1 26 . 1 1 36 36 MET H H 36 7.934 7.934 8.195 -0.261 18227 9051 1 26 . 1 1 37 37 LEU N N 37 120.539 120.539 118.958 1.581 18227 9052 1 26 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.108 0.235 18227 9053 1 26 . 1 1 37 37 LEU C C 37 178.746 178.746 178.165 0.581 18227 9054 1 26 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.077 0.635 18227 9055 1 26 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.184 -0.146 18227 9056 1 26 . 1 1 37 37 LEU H H 37 8.013 8.013 7.719 0.294 18227 9057 1 26 . 1 1 38 38 VAL N N 38 117.729 117.729 116.607 1.122 18227 9058 1 26 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.914 -0.137 18227 9059 1 26 . 1 1 38 38 VAL C C 38 179.009 179.009 176.077 2.932 18227 9060 1 26 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.872 3.327 18227 9061 1 26 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.416 -0.751 18227 9062 1 26 . 1 1 38 38 VAL H H 38 8.360 8.360 7.683 0.677 18227 9063 1 26 . 1 1 39 39 PHE N N 39 120.549 120.549 121.751 -1.202 18227 9064 1 26 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.513 -0.088 18227 9065 1 26 . 1 1 39 39 PHE C C 39 179.129 179.129 176.257 2.872 18227 9066 1 26 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.065 0.457 18227 9067 1 26 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.648 -2.546 18227 9068 1 26 . 1 1 39 39 PHE H H 39 8.225 8.225 8.153 0.072 18227 9069 1 26 . 1 1 40 40 LEU N N 40 122.778 122.778 113.740 9.038 18227 9070 1 26 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.397 -0.230 18227 9071 1 26 . 1 1 40 40 LEU C C 40 180.673 180.673 177.264 3.409 18227 9072 1 26 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.151 1.487 18227 9073 1 26 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.609 0.555 18227 9074 1 26 . 1 1 40 40 LEU H H 40 8.874 8.874 8.321 0.553 18227 9075 1 26 . 1 1 41 41 LEU N N 41 122.144 122.144 116.278 5.866 18227 9076 1 26 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.601 -0.365 18227 9077 1 26 . 1 1 41 41 LEU C C 41 180.709 180.709 177.339 3.370 18227 9078 1 26 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.748 3.722 18227 9079 1 26 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.215 -1.437 18227 9080 1 26 . 1 1 41 41 LEU H H 41 9.193 9.193 7.744 1.449 18227 9081 1 26 . 1 1 42 42 GLY N N 42 107.124 107.124 106.750 0.374 18227 9082 1 26 . 1 1 42 42 GLY C C 42 176.537 176.537 174.300 2.237 18227 9083 1 26 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.503 1.230 18227 9084 1 26 . 1 1 42 42 GLY H H 42 8.755 8.755 7.609 1.146 18227 9085 1 26 . 1 1 43 43 THR N N 43 113.411 113.411 113.707 -0.296 18227 9086 1 26 . 1 1 43 43 THR HA H 43 4.299 4.299 4.324 -0.025 18227 9087 1 26 . 1 1 43 43 THR C C 43 176.797 176.797 173.887 2.910 18227 9088 1 26 . 1 1 43 43 THR CA C 43 64.990 64.990 61.692 3.298 18227 9089 1 26 . 1 1 43 43 THR CB C 43 69.731 69.731 69.057 0.674 18227 9090 1 26 . 1 1 43 43 THR H H 43 8.179 8.179 7.969 0.210 18227 9091 1 26 . 1 1 44 44 THR N N 44 114.667 114.667 115.288 -0.621 18227 9092 1 26 . 1 1 44 44 THR HA H 44 4.366 4.366 4.431 -0.065 18227 9093 1 26 . 1 1 44 44 THR C C 44 176.375 176.375 174.898 1.477 18227 9094 1 26 . 1 1 44 44 THR CA C 44 64.833 64.833 63.531 1.302 18227 9095 1 26 . 1 1 44 44 THR CB C 44 69.988 69.988 70.132 -0.144 18227 9096 1 26 . 1 1 44 44 THR H H 44 8.026 8.026 7.748 0.278 18227 9097 1 26 . 1 1 45 45 GLY N N 45 109.336 109.336 109.627 -0.291 18227 9098 1 26 . 1 1 45 45 GLY C C 45 174.924 174.924 174.325 0.599 18227 9099 1 26 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.739 1.988 18227 9100 1 26 . 1 1 45 45 GLY H H 45 8.261 8.261 8.509 -0.248 18227 9101 1 26 . 1 1 46 46 ASN N N 46 117.547 117.547 117.519 0.028 18227 9102 1 26 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.662 0.077 18227 9103 1 26 . 1 1 46 46 ASN C C 46 176.815 176.815 176.840 -0.025 18227 9104 1 26 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.020 1.330 18227 9105 1 26 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.745 -0.252 18227 9106 1 26 . 1 1 46 46 ASN H H 46 8.083 8.083 7.717 0.366 18227 9107 1 26 . 1 1 47 47 GLY N N 47 106.960 106.960 109.822 -2.862 18227 9108 1 26 . 1 1 47 47 GLY C C 47 175.001 175.001 175.752 -0.751 18227 9109 1 26 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.789 0.198 18227 9110 1 26 . 1 1 47 47 GLY H H 47 8.318 8.318 8.454 -0.136 18227 9111 1 26 . 1 1 48 48 LEU N N 48 120.991 120.991 121.092 -0.101 18227 9112 1 26 . 1 1 48 48 LEU HA H 48 4.489 4.489 3.937 0.552 18227 9113 1 26 . 1 1 48 48 LEU C C 48 180.375 180.375 178.922 1.453 18227 9114 1 26 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.629 0.619 18227 9115 1 26 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.842 0.205 18227 9116 1 26 . 1 1 48 48 LEU H H 48 7.999 7.999 7.815 0.184 18227 9117 1 26 . 1 1 49 49 VAL N N 49 121.040 121.040 117.834 3.206 18227 9118 1 26 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.527 0.306 18227 9119 1 26 . 1 1 49 49 VAL C C 49 178.016 178.016 177.785 0.231 18227 9120 1 26 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.113 0.104 18227 9121 1 26 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.765 0.175 18227 9122 1 26 . 1 1 49 49 VAL H H 49 7.989 7.989 7.953 0.036 18227 9123 1 26 . 1 1 50 50 LEU N N 50 119.986 119.986 118.802 1.184 18227 9124 1 26 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.886 0.311 18227 9125 1 26 . 1 1 50 50 LEU C C 50 178.823 178.823 179.355 -0.532 18227 9126 1 26 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.485 1.205 18227 9127 1 26 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.158 0.507 18227 9128 1 26 . 1 1 50 50 LEU H H 50 7.926 7.926 7.984 -0.058 18227 9129 1 26 . 1 1 51 51 TRP N N 51 117.842 117.842 121.588 -3.746 18227 9130 1 26 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.373 0.314 18227 9131 1 26 . 1 1 51 51 TRP C C 51 178.729 178.729 177.310 1.419 18227 9132 1 26 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.805 -0.425 18227 9133 1 26 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.088 -0.547 18227 9134 1 26 . 1 1 51 51 TRP H H 51 8.525 8.525 8.599 -0.074 18227 9135 1 26 . 1 1 52 52 THR N N 52 114.722 114.722 116.631 -1.909 18227 9136 1 26 . 1 1 52 52 THR HA H 52 4.007 4.007 3.706 0.301 18227 9137 1 26 . 1 1 52 52 THR C C 52 176.228 176.228 177.009 -0.781 18227 9138 1 26 . 1 1 52 52 THR CA C 52 67.517 67.517 67.065 0.452 18227 9139 1 26 . 1 1 52 52 THR CB C 52 69.051 69.051 69.206 -0.155 18227 9140 1 26 . 1 1 52 52 THR H H 52 8.248 8.248 8.326 -0.078 18227 9141 1 26 . 1 1 53 53 VAL N N 53 123.008 123.008 122.312 0.696 18227 9142 1 26 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.625 0.123 18227 9143 1 26 . 1 1 53 53 VAL C C 53 178.474 178.474 177.107 1.367 18227 9144 1 26 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.826 0.629 18227 9145 1 26 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.811 0.029 18227 9146 1 26 . 1 1 53 53 VAL H H 53 8.634 8.634 8.783 -0.149 18227 9147 1 26 . 1 1 54 54 PHE N N 54 119.554 119.554 117.525 2.029 18227 9148 1 26 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.196 0.214 18227 9149 1 26 . 1 1 54 54 PHE C C 54 179.173 179.173 177.050 2.123 18227 9150 1 26 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.453 0.634 18227 9151 1 26 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.327 0.463 18227 9152 1 26 . 1 1 54 54 PHE H H 54 8.860 8.860 7.724 1.136 18227 9153 1 26 . 1 1 55 55 ARG N N 55 118.355 118.355 116.934 1.421 18227 9154 1 26 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.215 -0.095 18227 9155 1 26 . 1 1 55 55 ARG C C 55 178.719 178.719 176.488 2.231 18227 9156 1 26 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.909 2.067 18227 9157 1 26 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.681 -0.603 18227 9158 1 26 . 1 1 55 55 ARG H H 55 8.296 8.296 7.863 0.433 18227 9159 1 26 . 1 1 56 56 LYS N N 56 119.698 119.698 118.733 0.965 18227 9160 1 26 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.437 -0.144 18227 9161 1 26 . 1 1 56 56 LYS C C 56 178.742 178.742 177.356 1.386 18227 9162 1 26 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.025 1.026 18227 9163 1 26 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.069 -1.298 18227 9164 1 26 . 1 1 56 56 LYS H H 56 8.377 8.377 8.029 0.348 18227 9165 1 26 . 1 1 57 57 LYS N N 57 119.104 119.104 119.337 -0.233 18227 9166 1 26 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.448 -0.103 18227 9167 1 26 . 1 1 57 57 LYS C C 57 178.311 178.311 177.370 0.941 18227 9168 1 26 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.597 0.535 18227 9169 1 26 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.877 -1.187 18227 9170 1 26 . 1 1 57 57 LYS H H 57 8.610 8.610 8.308 0.302 18227 9171 1 26 . 1 1 58 58 GLY N N 58 106.684 106.684 106.539 0.145 18227 9172 1 26 . 1 1 58 58 GLY C C 58 174.451 174.451 175.052 -0.601 18227 9173 1 26 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.944 -0.031 18227 9174 1 26 . 1 1 58 58 GLY H H 58 8.154 8.154 7.671 0.483 18227 9175 1 26 . 1 1 59 59 HIS N N 59 116.995 116.995 119.708 -2.713 18227 9176 1 26 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.231 0.544 18227 9177 1 26 . 1 1 59 59 HIS C C 59 174.529 174.529 175.572 -1.043 18227 9178 1 26 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.084 -1.944 18227 9179 1 26 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.859 -1.232 18227 9180 1 26 . 1 1 59 59 HIS H H 59 8.106 8.106 8.366 -0.260 18227 9181 1 26 . 1 1 60 60 HIS N N 60 117.887 117.887 116.203 1.684 18227 9182 1 26 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.455 0.391 18227 9183 1 26 . 1 1 60 60 HIS C C 60 174.247 174.247 176.368 -2.121 18227 9184 1 26 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.779 -1.872 18227 9185 1 26 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.787 -1.736 18227 9186 1 26 . 1 1 60 60 HIS H H 60 8.425 8.425 8.176 0.249 18227 9187 1 26 . 1 1 61 61 HIS N N 61 118.329 118.329 118.127 0.202 18227 9188 1 26 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.052 0.821 18227 9189 1 26 . 1 1 61 61 HIS C C 61 174.139 174.139 175.777 -1.638 18227 9190 1 26 . 1 1 61 61 HIS CA C 61 55.794 55.794 58.710 -2.916 18227 9191 1 26 . 1 1 61 61 HIS CB C 61 29.270 29.270 29.163 0.107 18227 9192 1 26 . 1 1 61 61 HIS H H 61 8.573 8.573 8.767 -0.194 18227 9193 1 26 . 1 1 62 62 HIS N N 62 118.968 118.968 120.792 -1.824 18227 9194 1 26 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.837 0.038 18227 9195 1 26 . 1 1 62 62 HIS C C 62 173.827 173.827 175.045 -1.218 18227 9196 1 26 . 1 1 62 62 HIS CA C 62 55.768 55.768 55.258 0.511 18227 9197 1 26 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.676 -1.408 18227 9198 1 26 . 1 1 62 62 HIS H H 62 8.662 8.662 8.487 0.175 18227 9199 1 26 . 1 1 63 63 HIS N N 63 118.949 118.949 123.008 -4.059 18227 9200 1 26 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.213 0.637 18227 9201 1 26 . 1 1 63 63 HIS C C 63 173.433 173.433 174.495 -1.062 18227 9202 1 26 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.459 -0.670 18227 9203 1 26 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.940 0.522 18227 9204 1 26 . 1 1 63 63 HIS H H 63 8.518 8.518 9.004 -0.486 18227 9205 1 27 . 1 1 2 2 GLU N N 2 122.322 122.322 123.748 -1.426 18227 9206 1 27 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.445 0.233 18227 9207 1 27 . 1 1 2 2 GLU C C 2 175.160 175.160 175.792 -0.632 18227 9208 1 27 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.988 -0.895 18227 9209 1 27 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.212 -1.037 18227 9210 1 27 . 1 1 2 2 GLU H H 2 8.641 8.641 8.432 0.209 18227 9211 1 27 . 1 1 3 3 GLU N N 3 121.391 121.391 120.528 0.863 18227 9212 1 27 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.405 0.225 18227 9213 1 27 . 1 1 3 3 GLU C C 3 176.097 176.097 175.609 0.488 18227 9214 1 27 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.669 -0.582 18227 9215 1 27 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.132 -0.948 18227 9216 1 27 . 1 1 3 3 GLU H H 3 8.448 8.448 8.493 -0.045 18227 9217 1 27 . 1 1 4 4 GLY N N 4 109.002 109.002 110.609 -1.607 18227 9218 1 27 . 1 1 4 4 GLY C C 4 174.407 174.407 174.690 -0.283 18227 9219 1 27 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.474 -0.029 18227 9220 1 27 . 1 1 4 4 GLY H H 4 8.333 8.333 8.483 -0.150 18227 9221 1 27 . 1 1 5 5 GLY N N 5 107.419 107.419 108.475 -1.056 18227 9222 1 27 . 1 1 5 5 GLY C C 5 173.914 173.914 173.261 0.653 18227 9223 1 27 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.186 1.304 18227 9224 1 27 . 1 1 5 5 GLY H H 5 8.120 8.120 7.849 0.271 18227 9225 1 27 . 1 1 6 6 ASP N N 6 117.918 117.918 118.862 -0.944 18227 9226 1 27 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.241 0.665 18227 9227 1 27 . 1 1 6 6 ASP C C 6 175.114 175.114 175.792 -0.678 18227 9228 1 27 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.878 -1.759 18227 9229 1 27 . 1 1 6 6 ASP CB C 6 37.959 37.959 39.958 -1.998 18227 9230 1 27 . 1 1 6 6 ASP H H 6 8.204 8.204 7.894 0.310 18227 9231 1 27 . 1 1 7 7 PHE N N 7 119.801 119.801 116.164 3.637 18227 9232 1 27 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.053 0.657 18227 9233 1 27 . 1 1 7 7 PHE C C 7 175.789 175.789 174.270 1.519 18227 9234 1 27 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.233 -0.558 18227 9235 1 27 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.633 0.536 18227 9236 1 27 . 1 1 7 7 PHE H H 7 8.072 8.072 8.402 -0.330 18227 9237 1 27 . 1 1 8 8 ASP N N 8 117.963 117.963 120.650 -2.687 18227 9238 1 27 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.543 0.234 18227 9239 1 27 . 1 1 8 8 ASP C C 8 174.919 174.919 174.463 0.456 18227 9240 1 27 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.305 0.275 18227 9241 1 27 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.998 -3.275 18227 9242 1 27 . 1 1 8 8 ASP H H 8 8.184 8.184 7.668 0.516 18227 9243 1 27 . 1 1 9 9 ASN N N 9 117.736 117.736 117.201 0.535 18227 9244 1 27 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.198 0.592 18227 9245 1 27 . 1 1 9 9 ASN C C 9 174.974 174.974 175.002 -0.028 18227 9246 1 27 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.574 -0.838 18227 9247 1 27 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.654 -0.084 18227 9248 1 27 . 1 1 9 9 ASN H H 9 8.080 8.080 8.283 -0.203 18227 9249 1 27 . 1 1 10 10 TYR N N 10 119.580 119.580 121.924 -2.344 18227 9250 1 27 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.225 0.401 18227 9251 1 27 . 1 1 10 10 TYR C C 10 175.935 175.935 175.453 0.482 18227 9252 1 27 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.591 -0.812 18227 9253 1 27 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.062 1.452 18227 9254 1 27 . 1 1 10 10 TYR H H 10 7.869 7.869 8.594 -0.725 18227 9255 1 27 . 1 1 11 11 TYR N N 11 120.254 120.254 123.225 -2.971 18227 9256 1 27 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.034 0.585 18227 9257 1 27 . 1 1 11 11 TYR C C 11 176.666 176.666 175.496 1.170 18227 9258 1 27 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.077 -0.221 18227 9259 1 27 . 1 1 11 11 TYR CB C 11 38.488 38.488 35.306 3.182 18227 9260 1 27 . 1 1 11 11 TYR H H 11 7.906 7.906 8.163 -0.257 18227 9261 1 27 . 1 1 12 12 GLY N N 12 108.226 108.226 104.246 3.980 18227 9262 1 27 . 1 1 12 12 GLY C C 12 174.314 174.314 173.920 0.394 18227 9263 1 27 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.816 -0.036 18227 9264 1 27 . 1 1 12 12 GLY H H 12 7.817 7.817 8.039 -0.222 18227 9265 1 27 . 1 1 13 13 ALA N N 13 122.970 122.970 120.719 2.251 18227 9266 1 27 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.475 -0.005 18227 9267 1 27 . 1 1 13 13 ALA C C 13 178.137 178.137 177.274 0.863 18227 9268 1 27 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.752 0.698 18227 9269 1 27 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.403 -1.720 18227 9270 1 27 . 1 1 13 13 ALA H H 13 7.913 7.913 8.033 -0.120 18227 9271 1 27 . 1 1 14 14 ASP N N 14 116.374 116.374 119.840 -3.466 18227 9272 1 27 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.682 0.193 18227 9273 1 27 . 1 1 14 14 ASP C C 14 175.450 175.450 177.591 -2.141 18227 9274 1 27 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.225 -2.585 18227 9275 1 27 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.246 -3.384 18227 9276 1 27 . 1 1 14 14 ASP H H 14 8.348 8.348 7.917 0.431 18227 9277 1 27 . 1 1 15 15 ASN N N 15 118.423 118.423 116.894 1.529 18227 9278 1 27 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.378 0.492 18227 9279 1 27 . 1 1 15 15 ASN C C 15 176.054 176.054 176.540 -0.486 18227 9280 1 27 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.090 -1.663 18227 9281 1 27 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.442 0.240 18227 9282 1 27 . 1 1 15 15 ASN H H 15 8.272 8.272 8.858 -0.586 18227 9283 1 27 . 1 1 16 16 GLN N N 16 120.129 120.129 114.077 6.052 18227 9284 1 27 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.359 0.057 18227 9285 1 27 . 1 1 16 16 GLN C C 16 177.337 177.337 176.280 1.057 18227 9286 1 27 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.324 0.932 18227 9287 1 27 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.103 0.681 18227 9288 1 27 . 1 1 16 16 GLN H H 16 8.481 8.481 8.344 0.137 18227 9289 1 27 . 1 1 17 17 SER N N 17 115.051 115.051 115.611 -0.560 18227 9290 1 27 . 1 1 17 17 SER HA H 17 4.505 4.505 4.286 0.219 18227 9291 1 27 . 1 1 17 17 SER C C 17 175.596 175.596 176.330 -0.734 18227 9292 1 27 . 1 1 17 17 SER CA C 17 60.767 60.767 60.263 0.504 18227 9293 1 27 . 1 1 17 17 SER CB C 17 63.325 63.325 63.297 0.028 18227 9294 1 27 . 1 1 17 17 SER H H 17 8.380 8.380 7.930 0.450 18227 9295 1 27 . 1 1 18 18 GLU N N 18 120.901 120.901 121.978 -1.077 18227 9296 1 27 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.057 0.402 18227 9297 1 27 . 1 1 18 18 GLU C C 18 177.867 177.867 178.596 -0.729 18227 9298 1 27 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.592 -1.369 18227 9299 1 27 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.581 -1.516 18227 9300 1 27 . 1 1 18 18 GLU H H 18 8.233 8.233 8.629 -0.396 18227 9301 1 27 . 1 1 19 19 CYS N N 19 118.899 118.899 115.411 3.488 18227 9302 1 27 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.125 0.351 18227 9303 1 27 . 1 1 19 19 CYS C C 19 175.896 175.896 176.371 -0.475 18227 9304 1 27 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.820 -1.558 18227 9305 1 27 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.291 -0.232 18227 9306 1 27 . 1 1 19 19 CYS H H 19 8.245 8.245 8.429 -0.184 18227 9307 1 27 . 1 1 20 20 GLU N N 20 120.324 120.324 117.737 2.587 18227 9308 1 27 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.314 0.013 18227 9309 1 27 . 1 1 20 20 GLU C C 20 177.163 177.163 178.642 -1.479 18227 9310 1 27 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.615 0.757 18227 9311 1 27 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.316 -1.272 18227 9312 1 27 . 1 1 20 20 GLU H H 20 8.299 8.299 7.850 0.449 18227 9313 1 27 . 1 1 21 21 TYR N N 21 118.601 118.601 122.140 -3.539 18227 9314 1 27 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.373 0.232 18227 9315 1 27 . 1 1 21 21 TYR C C 21 177.166 177.166 177.685 -0.519 18227 9316 1 27 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.934 -1.528 18227 9317 1 27 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.413 0.065 18227 9318 1 27 . 1 1 21 21 TYR H H 21 8.165 8.165 8.794 -0.629 18227 9319 1 27 . 1 1 22 22 THR N N 22 112.362 112.362 109.260 3.102 18227 9320 1 27 . 1 1 22 22 THR HA H 22 4.203 4.203 4.288 -0.085 18227 9321 1 27 . 1 1 22 22 THR C C 22 176.226 176.226 175.431 0.795 18227 9322 1 27 . 1 1 22 22 THR CA C 22 64.825 64.825 64.425 0.400 18227 9323 1 27 . 1 1 22 22 THR CB C 22 69.471 69.471 68.911 0.560 18227 9324 1 27 . 1 1 22 22 THR H H 22 8.063 8.063 7.858 0.205 18227 9325 1 27 . 1 1 23 23 ASP N N 23 121.414 121.414 123.426 -2.012 18227 9326 1 27 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.585 0.158 18227 9327 1 27 . 1 1 23 23 ASP C C 23 176.664 176.664 177.122 -0.458 18227 9328 1 27 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.238 -1.079 18227 9329 1 27 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.607 -4.132 18227 9330 1 27 . 1 1 23 23 ASP H H 23 8.355 8.355 8.293 0.062 18227 9331 1 27 . 1 1 24 24 TRP N N 24 121.858 121.858 123.550 -1.692 18227 9332 1 27 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.087 0.553 18227 9333 1 27 . 1 1 24 24 TRP C C 24 178.311 178.311 177.734 0.577 18227 9334 1 27 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.555 -1.911 18227 9335 1 27 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.083 -0.340 18227 9336 1 27 . 1 1 24 24 TRP H H 24 8.363 8.363 8.897 -0.534 18227 9337 1 27 . 1 1 25 25 LYS N N 25 120.099 120.099 117.491 2.608 18227 9338 1 27 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.404 1.672 18227 9339 1 27 . 1 1 25 25 LYS C C 25 177.946 177.946 177.745 0.201 18227 9340 1 27 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.999 0.135 18227 9341 1 27 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.617 0.653 18227 9342 1 27 . 1 1 25 25 LYS H H 25 8.291 8.291 7.309 0.982 18227 9343 1 27 . 1 1 26 26 SER N N 26 113.558 113.558 112.627 0.931 18227 9344 1 27 . 1 1 26 26 SER HA H 26 4.541 4.541 4.429 0.112 18227 9345 1 27 . 1 1 26 26 SER C C 26 175.212 175.212 175.274 -0.062 18227 9346 1 27 . 1 1 26 26 SER CA C 26 59.813 59.813 59.999 -0.187 18227 9347 1 27 . 1 1 26 26 SER CB C 26 63.672 63.672 64.527 -0.855 18227 9348 1 27 . 1 1 26 26 SER H H 26 8.088 8.088 7.958 0.130 18227 9349 1 27 . 1 1 27 27 SER N N 27 116.456 116.456 116.400 0.056 18227 9350 1 27 . 1 1 27 27 SER HA H 27 4.534 4.534 4.499 0.035 18227 9351 1 27 . 1 1 27 27 SER C C 27 175.216 175.216 174.991 0.225 18227 9352 1 27 . 1 1 27 27 SER CA C 27 60.042 60.042 59.041 1.001 18227 9353 1 27 . 1 1 27 27 SER CB C 27 63.782 63.782 62.885 0.897 18227 9354 1 27 . 1 1 27 27 SER H H 27 8.025 8.025 8.403 -0.378 18227 9355 1 27 . 1 1 28 28 GLY N N 28 108.769 108.769 107.975 0.794 18227 9356 1 27 . 1 1 28 28 GLY C C 28 174.198 174.198 172.829 1.369 18227 9357 1 27 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.679 1.196 18227 9358 1 27 . 1 1 28 28 GLY H H 28 8.051 8.051 7.707 0.344 18227 9359 1 27 . 1 1 29 29 ALA N N 29 121.719 121.719 121.513 0.206 18227 9360 1 27 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.514 -0.103 18227 9361 1 27 . 1 1 29 29 ALA C C 29 177.554 177.554 176.409 1.145 18227 9362 1 27 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.324 -0.239 18227 9363 1 27 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.831 -0.057 18227 9364 1 27 . 1 1 29 29 ALA H H 29 7.749 7.749 7.599 0.150 18227 9365 1 27 . 1 1 30 30 LEU N N 30 118.220 118.220 113.414 4.806 18227 9366 1 27 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.401 0.145 18227 9367 1 27 . 1 1 30 30 LEU C C 30 176.978 176.978 177.441 -0.463 18227 9368 1 27 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.073 -0.406 18227 9369 1 27 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.693 1.063 18227 9370 1 27 . 1 1 30 30 LEU H H 30 7.660 7.660 7.669 -0.009 18227 9371 1 27 . 1 1 31 31 ILE N N 31 118.934 118.934 120.119 -1.185 18227 9372 1 27 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.161 0.224 18227 9373 1 27 . 1 1 31 31 ILE C C 31 175.025 175.025 174.981 0.044 18227 9374 1 27 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.527 -2.851 18227 9375 1 27 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.718 1.853 18227 9376 1 27 . 1 1 31 31 ILE H H 31 7.446 7.446 8.051 -0.605 18227 9377 1 27 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.279 0.200 18227 9378 1 27 . 1 1 32 32 PRO C C 32 177.601 177.601 178.171 -0.570 18227 9379 1 27 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.636 -0.316 18227 9380 1 27 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.877 0.358 18227 9381 1 27 . 1 1 33 33 ALA N N 33 118.822 118.822 122.005 -3.183 18227 9382 1 27 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.114 0.253 18227 9383 1 27 . 1 1 33 33 ALA C C 33 179.269 179.269 179.705 -0.436 18227 9384 1 27 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.165 -0.348 18227 9385 1 27 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.276 -0.384 18227 9386 1 27 . 1 1 33 33 ALA H H 33 7.293 7.293 7.467 -0.174 18227 9387 1 27 . 1 1 34 34 ILE N N 34 116.953 116.953 119.025 -2.072 18227 9388 1 27 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.667 0.423 18227 9389 1 27 . 1 1 34 34 ILE C C 34 177.061 177.061 178.277 -1.216 18227 9390 1 27 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.920 -0.935 18227 9391 1 27 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.093 1.026 18227 9392 1 27 . 1 1 34 34 ILE H H 34 7.766 7.766 7.862 -0.096 18227 9393 1 27 . 1 1 35 35 TYR N N 35 118.432 118.432 119.892 -1.460 18227 9394 1 27 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.002 0.366 18227 9395 1 27 . 1 1 35 35 TYR C C 35 178.052 178.052 178.238 -0.186 18227 9396 1 27 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.562 -1.440 18227 9397 1 27 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.247 -0.311 18227 9398 1 27 . 1 1 35 35 TYR H H 35 7.988 7.988 7.834 0.154 18227 9399 1 27 . 1 1 36 36 MET N N 36 117.042 117.042 117.493 -0.451 18227 9400 1 27 . 1 1 36 36 MET HA H 36 4.534 4.534 4.132 0.402 18227 9401 1 27 . 1 1 36 36 MET C C 36 177.734 177.734 178.543 -0.809 18227 9402 1 27 . 1 1 36 36 MET CA C 36 58.272 58.272 58.099 0.173 18227 9403 1 27 . 1 1 36 36 MET CB C 36 31.979 31.979 31.873 0.106 18227 9404 1 27 . 1 1 36 36 MET H H 36 7.934 7.934 8.642 -0.708 18227 9405 1 27 . 1 1 37 37 LEU N N 37 120.539 120.539 119.739 0.800 18227 9406 1 27 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.097 0.246 18227 9407 1 27 . 1 1 37 37 LEU C C 37 178.746 178.746 178.962 -0.216 18227 9408 1 27 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.344 0.368 18227 9409 1 27 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.768 0.270 18227 9410 1 27 . 1 1 37 37 LEU H H 37 8.013 8.013 8.188 -0.175 18227 9411 1 27 . 1 1 38 38 VAL N N 38 117.729 117.729 116.362 1.367 18227 9412 1 27 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.883 -0.106 18227 9413 1 27 . 1 1 38 38 VAL C C 38 179.009 179.009 176.892 2.117 18227 9414 1 27 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.534 2.665 18227 9415 1 27 . 1 1 38 38 VAL CB C 38 31.665 31.665 30.942 0.723 18227 9416 1 27 . 1 1 38 38 VAL H H 38 8.360 8.360 8.054 0.306 18227 9417 1 27 . 1 1 39 39 PHE N N 39 120.549 120.549 121.146 -0.597 18227 9418 1 27 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.762 -0.337 18227 9419 1 27 . 1 1 39 39 PHE C C 39 179.129 179.129 176.131 2.998 18227 9420 1 27 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.795 1.727 18227 9421 1 27 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.533 -2.430 18227 9422 1 27 . 1 1 39 39 PHE H H 39 8.225 8.225 8.029 0.196 18227 9423 1 27 . 1 1 40 40 LEU N N 40 122.778 122.778 116.157 6.621 18227 9424 1 27 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.405 -0.238 18227 9425 1 27 . 1 1 40 40 LEU C C 40 180.673 180.673 177.774 2.899 18227 9426 1 27 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.025 1.613 18227 9427 1 27 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.429 -0.265 18227 9428 1 27 . 1 1 40 40 LEU H H 40 8.874 8.874 8.307 0.567 18227 9429 1 27 . 1 1 41 41 LEU N N 41 122.144 122.144 117.487 4.657 18227 9430 1 27 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.666 -0.430 18227 9431 1 27 . 1 1 41 41 LEU C C 41 180.709 180.709 178.380 2.329 18227 9432 1 27 . 1 1 41 41 LEU CA C 41 58.470 58.470 55.699 2.771 18227 9433 1 27 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.520 -0.742 18227 9434 1 27 . 1 1 41 41 LEU H H 41 9.193 9.193 7.620 1.573 18227 9435 1 27 . 1 1 42 42 GLY N N 42 107.124 107.124 107.097 0.027 18227 9436 1 27 . 1 1 42 42 GLY C C 42 176.537 176.537 174.644 1.893 18227 9437 1 27 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.034 0.699 18227 9438 1 27 . 1 1 42 42 GLY H H 42 8.755 8.755 8.424 0.331 18227 9439 1 27 . 1 1 43 43 THR N N 43 113.411 113.411 112.908 0.503 18227 9440 1 27 . 1 1 43 43 THR HA H 43 4.299 4.299 4.502 -0.203 18227 9441 1 27 . 1 1 43 43 THR C C 43 176.797 176.797 174.007 2.790 18227 9442 1 27 . 1 1 43 43 THR CA C 43 64.990 64.990 61.243 3.747 18227 9443 1 27 . 1 1 43 43 THR CB C 43 69.731 69.731 69.286 0.445 18227 9444 1 27 . 1 1 43 43 THR H H 43 8.179 8.179 7.651 0.528 18227 9445 1 27 . 1 1 44 44 THR N N 44 114.667 114.667 116.447 -1.780 18227 9446 1 27 . 1 1 44 44 THR HA H 44 4.366 4.366 4.451 -0.085 18227 9447 1 27 . 1 1 44 44 THR C C 44 176.375 176.375 175.215 1.160 18227 9448 1 27 . 1 1 44 44 THR CA C 44 64.833 64.833 63.932 0.901 18227 9449 1 27 . 1 1 44 44 THR CB C 44 69.988 69.988 71.097 -1.109 18227 9450 1 27 . 1 1 44 44 THR H H 44 8.026 8.026 7.462 0.564 18227 9451 1 27 . 1 1 45 45 GLY N N 45 109.336 109.336 109.871 -0.535 18227 9452 1 27 . 1 1 45 45 GLY C C 45 174.924 174.924 174.362 0.562 18227 9453 1 27 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.065 1.662 18227 9454 1 27 . 1 1 45 45 GLY H H 45 8.261 8.261 7.646 0.615 18227 9455 1 27 . 1 1 46 46 ASN N N 46 117.547 117.547 118.851 -1.304 18227 9456 1 27 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.757 -0.018 18227 9457 1 27 . 1 1 46 46 ASN C C 46 176.815 176.815 177.049 -0.234 18227 9458 1 27 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.025 0.325 18227 9459 1 27 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.516 -1.023 18227 9460 1 27 . 1 1 46 46 ASN H H 46 8.083 8.083 8.176 -0.093 18227 9461 1 27 . 1 1 47 47 GLY N N 47 106.960 106.960 109.281 -2.321 18227 9462 1 27 . 1 1 47 47 GLY C C 47 175.001 175.001 176.364 -1.363 18227 9463 1 27 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.992 -0.005 18227 9464 1 27 . 1 1 47 47 GLY H H 47 8.318 8.318 8.475 -0.157 18227 9465 1 27 . 1 1 48 48 LEU N N 48 120.991 120.991 122.141 -1.150 18227 9466 1 27 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.057 0.432 18227 9467 1 27 . 1 1 48 48 LEU C C 48 180.375 180.375 178.680 1.695 18227 9468 1 27 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.648 0.600 18227 9469 1 27 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.822 0.225 18227 9470 1 27 . 1 1 48 48 LEU H H 48 7.999 7.999 7.721 0.278 18227 9471 1 27 . 1 1 49 49 VAL N N 49 121.040 121.040 118.040 3.000 18227 9472 1 27 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.629 0.204 18227 9473 1 27 . 1 1 49 49 VAL C C 49 178.016 178.016 177.911 0.105 18227 9474 1 27 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.775 0.442 18227 9475 1 27 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.854 0.086 18227 9476 1 27 . 1 1 49 49 VAL H H 49 7.989 7.989 7.431 0.558 18227 9477 1 27 . 1 1 50 50 LEU N N 50 119.986 119.986 119.329 0.657 18227 9478 1 27 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.877 0.320 18227 9479 1 27 . 1 1 50 50 LEU C C 50 178.823 178.823 179.106 -0.283 18227 9480 1 27 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.839 0.851 18227 9481 1 27 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.431 0.235 18227 9482 1 27 . 1 1 50 50 LEU H H 50 7.926 7.926 7.728 0.198 18227 9483 1 27 . 1 1 51 51 TRP N N 51 117.842 117.842 120.304 -2.462 18227 9484 1 27 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.310 0.377 18227 9485 1 27 . 1 1 51 51 TRP C C 51 178.729 178.729 177.756 0.973 18227 9486 1 27 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.781 -0.401 18227 9487 1 27 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.812 -0.272 18227 9488 1 27 . 1 1 51 51 TRP H H 51 8.525 8.525 8.281 0.244 18227 9489 1 27 . 1 1 52 52 THR N N 52 114.722 114.722 115.759 -1.037 18227 9490 1 27 . 1 1 52 52 THR HA H 52 4.007 4.007 3.674 0.333 18227 9491 1 27 . 1 1 52 52 THR C C 52 176.228 176.228 177.187 -0.959 18227 9492 1 27 . 1 1 52 52 THR CA C 52 67.517 67.517 67.208 0.309 18227 9493 1 27 . 1 1 52 52 THR CB C 52 69.051 69.051 69.015 0.036 18227 9494 1 27 . 1 1 52 52 THR H H 52 8.248 8.248 8.512 -0.264 18227 9495 1 27 . 1 1 53 53 VAL N N 53 123.008 123.008 122.409 0.599 18227 9496 1 27 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.657 0.091 18227 9497 1 27 . 1 1 53 53 VAL C C 53 178.474 178.474 177.294 1.180 18227 9498 1 27 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.855 0.600 18227 9499 1 27 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.854 -0.014 18227 9500 1 27 . 1 1 53 53 VAL H H 53 8.634 8.634 8.738 -0.104 18227 9501 1 27 . 1 1 54 54 PHE N N 54 119.554 119.554 117.383 2.171 18227 9502 1 27 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.150 0.260 18227 9503 1 27 . 1 1 54 54 PHE C C 54 179.173 179.173 177.230 1.943 18227 9504 1 27 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.890 0.197 18227 9505 1 27 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.061 0.729 18227 9506 1 27 . 1 1 54 54 PHE H H 54 8.860 8.860 8.091 0.769 18227 9507 1 27 . 1 1 55 55 ARG N N 55 118.355 118.355 117.070 1.285 18227 9508 1 27 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.256 -0.136 18227 9509 1 27 . 1 1 55 55 ARG C C 55 178.719 178.719 176.733 1.986 18227 9510 1 27 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.282 1.694 18227 9511 1 27 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.860 -0.782 18227 9512 1 27 . 1 1 55 55 ARG H H 55 8.296 8.296 7.505 0.791 18227 9513 1 27 . 1 1 56 56 LYS N N 56 119.698 119.698 119.131 0.567 18227 9514 1 27 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.298 -0.005 18227 9515 1 27 . 1 1 56 56 LYS C C 56 178.742 178.742 177.615 1.127 18227 9516 1 27 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.951 1.100 18227 9517 1 27 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.758 -0.987 18227 9518 1 27 . 1 1 56 56 LYS H H 56 8.377 8.377 8.040 0.337 18227 9519 1 27 . 1 1 57 57 LYS N N 57 119.104 119.104 119.925 -0.821 18227 9520 1 27 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.429 -0.084 18227 9521 1 27 . 1 1 57 57 LYS C C 57 178.311 178.311 178.380 -0.069 18227 9522 1 27 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.910 0.222 18227 9523 1 27 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.666 -0.976 18227 9524 1 27 . 1 1 57 57 LYS H H 57 8.610 8.610 8.543 0.067 18227 9525 1 27 . 1 1 58 58 GLY N N 58 106.684 106.684 108.669 -1.985 18227 9526 1 27 . 1 1 58 58 GLY C C 58 174.451 174.451 174.767 -0.316 18227 9527 1 27 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.523 -0.610 18227 9528 1 27 . 1 1 58 58 GLY H H 58 8.154 8.154 7.599 0.555 18227 9529 1 27 . 1 1 59 59 HIS N N 59 116.995 116.995 118.574 -1.579 18227 9530 1 27 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.279 0.496 18227 9531 1 27 . 1 1 59 59 HIS C C 59 174.529 174.529 175.220 -0.691 18227 9532 1 27 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.183 -1.043 18227 9533 1 27 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.510 -0.883 18227 9534 1 27 . 1 1 59 59 HIS H H 59 8.106 8.106 8.169 -0.063 18227 9535 1 27 . 1 1 60 60 HIS N N 60 117.887 117.887 119.324 -1.437 18227 9536 1 27 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.431 0.415 18227 9537 1 27 . 1 1 60 60 HIS C C 60 174.247 174.247 174.087 0.160 18227 9538 1 27 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.440 1.467 18227 9539 1 27 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.756 -0.707 18227 9540 1 27 . 1 1 60 60 HIS H H 60 8.425 8.425 7.105 1.320 18227 9541 1 27 . 1 1 61 61 HIS N N 61 118.329 118.329 124.054 -5.725 18227 9542 1 27 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.158 0.715 18227 9543 1 27 . 1 1 61 61 HIS C C 61 174.139 174.139 173.657 0.482 18227 9544 1 27 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.161 1.633 18227 9545 1 27 . 1 1 61 61 HIS CB C 61 29.270 29.270 28.402 0.868 18227 9546 1 27 . 1 1 61 61 HIS H H 61 8.573 8.573 8.222 0.351 18227 9547 1 27 . 1 1 62 62 HIS N N 62 118.968 118.968 116.855 2.113 18227 9548 1 27 . 1 1 62 62 HIS HA H 62 4.875 4.875 3.606 1.269 18227 9549 1 27 . 1 1 62 62 HIS C C 62 173.827 173.827 174.488 -0.661 18227 9550 1 27 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.646 -0.878 18227 9551 1 27 . 1 1 62 62 HIS CB C 62 29.268 29.268 27.912 1.356 18227 9552 1 27 . 1 1 62 62 HIS H H 62 8.662 8.662 6.548 2.114 18227 9553 1 27 . 1 1 63 63 HIS N N 63 118.949 118.949 119.836 -0.887 18227 9554 1 27 . 1 1 63 63 HIS HA H 63 4.850 4.850 3.875 0.975 18227 9555 1 27 . 1 1 63 63 HIS C C 63 173.433 173.433 174.302 -0.869 18227 9556 1 27 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.755 -0.966 18227 9557 1 27 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.495 0.967 18227 9558 1 27 . 1 1 63 63 HIS H H 63 8.518 8.518 8.693 -0.175 18227 9559 1 28 . 1 1 2 2 GLU N N 2 122.322 122.322 120.859 1.463 18227 9560 1 28 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.400 0.278 18227 9561 1 28 . 1 1 2 2 GLU C C 2 175.160 175.160 175.865 -0.705 18227 9562 1 28 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.566 0.526 18227 9563 1 28 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.475 -0.300 18227 9564 1 28 . 1 1 2 2 GLU H H 2 8.641 8.641 8.096 0.545 18227 9565 1 28 . 1 1 3 3 GLU N N 3 121.391 121.391 121.524 -0.133 18227 9566 1 28 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.131 0.499 18227 9567 1 28 . 1 1 3 3 GLU C C 3 176.097 176.097 176.270 -0.173 18227 9568 1 28 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.460 -0.373 18227 9569 1 28 . 1 1 3 3 GLU CB C 3 29.184 29.184 28.084 1.100 18227 9570 1 28 . 1 1 3 3 GLU H H 3 8.448 8.448 8.257 0.191 18227 9571 1 28 . 1 1 4 4 GLY N N 4 109.002 109.002 112.290 -3.288 18227 9572 1 28 . 1 1 4 4 GLY C C 4 174.407 174.407 174.059 0.348 18227 9573 1 28 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.002 0.443 18227 9574 1 28 . 1 1 4 4 GLY H H 4 8.333 8.333 8.633 -0.300 18227 9575 1 28 . 1 1 5 5 GLY N N 5 107.419 107.419 107.847 -0.428 18227 9576 1 28 . 1 1 5 5 GLY C C 5 173.914 173.914 173.060 0.854 18227 9577 1 28 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.715 -0.225 18227 9578 1 28 . 1 1 5 5 GLY H H 5 8.120 8.120 8.025 0.095 18227 9579 1 28 . 1 1 6 6 ASP N N 6 117.918 117.918 119.039 -1.121 18227 9580 1 28 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.560 0.346 18227 9581 1 28 . 1 1 6 6 ASP C C 6 175.114 175.114 174.048 1.066 18227 9582 1 28 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.517 -0.398 18227 9583 1 28 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.672 -3.713 18227 9584 1 28 . 1 1 6 6 ASP H H 6 8.204 8.204 7.273 0.931 18227 9585 1 28 . 1 1 7 7 PHE N N 7 119.801 119.801 120.817 -1.016 18227 9586 1 28 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.636 0.074 18227 9587 1 28 . 1 1 7 7 PHE C C 7 175.789 175.789 175.620 0.169 18227 9588 1 28 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.834 0.842 18227 9589 1 28 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.707 -0.538 18227 9590 1 28 . 1 1 7 7 PHE H H 7 8.072 8.072 8.088 -0.016 18227 9591 1 28 . 1 1 8 8 ASP N N 8 117.963 117.963 123.697 -5.734 18227 9592 1 28 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.814 -0.037 18227 9593 1 28 . 1 1 8 8 ASP C C 8 174.919 174.919 175.394 -0.475 18227 9594 1 28 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.346 0.234 18227 9595 1 28 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.982 -3.259 18227 9596 1 28 . 1 1 8 8 ASP H H 8 8.184 8.184 8.758 -0.574 18227 9597 1 28 . 1 1 9 9 ASN N N 9 117.736 117.736 118.337 -0.601 18227 9598 1 28 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.586 0.204 18227 9599 1 28 . 1 1 9 9 ASN C C 9 174.974 174.974 176.103 -1.129 18227 9600 1 28 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.961 -0.225 18227 9601 1 28 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.929 -0.360 18227 9602 1 28 . 1 1 9 9 ASN H H 9 8.080 8.080 7.969 0.111 18227 9603 1 28 . 1 1 10 10 TYR N N 10 119.580 119.580 119.027 0.553 18227 9604 1 28 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.189 0.437 18227 9605 1 28 . 1 1 10 10 TYR C C 10 175.935 175.935 174.649 1.286 18227 9606 1 28 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.053 -0.274 18227 9607 1 28 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.891 0.623 18227 9608 1 28 . 1 1 10 10 TYR H H 10 7.869 7.869 8.628 -0.759 18227 9609 1 28 . 1 1 11 11 TYR N N 11 120.254 120.254 123.395 -3.141 18227 9610 1 28 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.321 0.298 18227 9611 1 28 . 1 1 11 11 TYR C C 11 176.666 176.666 175.016 1.650 18227 9612 1 28 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.773 0.083 18227 9613 1 28 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.321 1.167 18227 9614 1 28 . 1 1 11 11 TYR H H 11 7.906 7.906 8.560 -0.654 18227 9615 1 28 . 1 1 12 12 GLY N N 12 108.226 108.226 105.056 3.170 18227 9616 1 28 . 1 1 12 12 GLY C C 12 174.314 174.314 173.170 1.144 18227 9617 1 28 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.963 -0.183 18227 9618 1 28 . 1 1 12 12 GLY H H 12 7.817 7.817 8.160 -0.343 18227 9619 1 28 . 1 1 13 13 ALA N N 13 122.970 122.970 122.270 0.700 18227 9620 1 28 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.434 0.036 18227 9621 1 28 . 1 1 13 13 ALA C C 13 178.137 178.137 176.838 1.299 18227 9622 1 28 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.634 -0.184 18227 9623 1 28 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.324 -0.641 18227 9624 1 28 . 1 1 13 13 ALA H H 13 7.913 7.913 8.211 -0.298 18227 9625 1 28 . 1 1 14 14 ASP N N 14 116.374 116.374 118.985 -2.611 18227 9626 1 28 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.775 0.100 18227 9627 1 28 . 1 1 14 14 ASP C C 14 175.450 175.450 176.600 -1.150 18227 9628 1 28 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.420 -0.780 18227 9629 1 28 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.635 -2.773 18227 9630 1 28 . 1 1 14 14 ASP H H 14 8.348 8.348 8.252 0.096 18227 9631 1 28 . 1 1 15 15 ASN N N 15 118.423 118.423 116.842 1.581 18227 9632 1 28 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.589 0.281 18227 9633 1 28 . 1 1 15 15 ASN C C 15 176.054 176.054 176.308 -0.254 18227 9634 1 28 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.756 -1.328 18227 9635 1 28 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.369 0.313 18227 9636 1 28 . 1 1 15 15 ASN H H 15 8.272 8.272 8.296 -0.024 18227 9637 1 28 . 1 1 16 16 GLN N N 16 120.129 120.129 114.685 5.444 18227 9638 1 28 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.380 0.036 18227 9639 1 28 . 1 1 16 16 GLN C C 16 177.337 177.337 175.390 1.947 18227 9640 1 28 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.964 1.292 18227 9641 1 28 . 1 1 16 16 GLN CB C 16 28.784 28.784 27.681 1.103 18227 9642 1 28 . 1 1 16 16 GLN H H 16 8.481 8.481 8.169 0.312 18227 9643 1 28 . 1 1 17 17 SER N N 17 115.051 115.051 116.329 -1.278 18227 9644 1 28 . 1 1 17 17 SER HA H 17 4.505 4.505 4.412 0.093 18227 9645 1 28 . 1 1 17 17 SER C C 17 175.596 175.596 175.772 -0.176 18227 9646 1 28 . 1 1 17 17 SER CA C 17 60.767 60.767 59.232 1.535 18227 9647 1 28 . 1 1 17 17 SER CB C 17 63.325 63.325 64.682 -1.357 18227 9648 1 28 . 1 1 17 17 SER H H 17 8.380 8.380 7.818 0.562 18227 9649 1 28 . 1 1 18 18 GLU N N 18 120.901 120.901 122.373 -1.472 18227 9650 1 28 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.045 0.414 18227 9651 1 28 . 1 1 18 18 GLU C C 18 177.867 177.867 177.573 0.294 18227 9652 1 28 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.100 -0.877 18227 9653 1 28 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.320 -1.254 18227 9654 1 28 . 1 1 18 18 GLU H H 18 8.233 8.233 8.810 -0.577 18227 9655 1 28 . 1 1 19 19 CYS N N 19 118.899 118.899 117.886 1.013 18227 9656 1 28 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.457 0.019 18227 9657 1 28 . 1 1 19 19 CYS C C 19 175.896 175.896 176.018 -0.122 18227 9658 1 28 . 1 1 19 19 CYS CA C 19 61.262 61.262 60.631 0.631 18227 9659 1 28 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.257 -1.198 18227 9660 1 28 . 1 1 19 19 CYS H H 19 8.245 8.245 7.927 0.318 18227 9661 1 28 . 1 1 20 20 GLU N N 20 120.324 120.324 119.445 0.879 18227 9662 1 28 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.370 -0.043 18227 9663 1 28 . 1 1 20 20 GLU C C 20 177.163 177.163 177.578 -0.415 18227 9664 1 28 . 1 1 20 20 GLU CA C 20 58.372 58.372 56.551 1.821 18227 9665 1 28 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.444 -0.400 18227 9666 1 28 . 1 1 20 20 GLU H H 20 8.299 8.299 8.114 0.185 18227 9667 1 28 . 1 1 21 21 TYR N N 21 118.601 118.601 121.907 -3.306 18227 9668 1 28 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.248 0.357 18227 9669 1 28 . 1 1 21 21 TYR C C 21 177.166 177.166 177.129 0.037 18227 9670 1 28 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.216 -1.810 18227 9671 1 28 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.387 0.091 18227 9672 1 28 . 1 1 21 21 TYR H H 21 8.165 8.165 8.475 -0.310 18227 9673 1 28 . 1 1 22 22 THR N N 22 112.362 112.362 108.941 3.421 18227 9674 1 28 . 1 1 22 22 THR HA H 22 4.203 4.203 4.263 -0.060 18227 9675 1 28 . 1 1 22 22 THR C C 22 176.226 176.226 175.128 1.098 18227 9676 1 28 . 1 1 22 22 THR CA C 22 64.825 64.825 64.510 0.315 18227 9677 1 28 . 1 1 22 22 THR CB C 22 69.471 69.471 68.829 0.642 18227 9678 1 28 . 1 1 22 22 THR H H 22 8.063 8.063 8.074 -0.011 18227 9679 1 28 . 1 1 23 23 ASP N N 23 121.414 121.414 121.376 0.038 18227 9680 1 28 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.768 -0.025 18227 9681 1 28 . 1 1 23 23 ASP C C 23 176.664 176.664 177.833 -1.169 18227 9682 1 28 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.183 -1.024 18227 9683 1 28 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.276 -4.801 18227 9684 1 28 . 1 1 23 23 ASP H H 23 8.355 8.355 8.131 0.224 18227 9685 1 28 . 1 1 24 24 TRP N N 24 121.858 121.858 122.671 -0.813 18227 9686 1 28 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.148 0.492 18227 9687 1 28 . 1 1 24 24 TRP C C 24 178.311 178.311 177.567 0.744 18227 9688 1 28 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.635 -0.991 18227 9689 1 28 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.099 -0.355 18227 9690 1 28 . 1 1 24 24 TRP H H 24 8.363 8.363 8.862 -0.499 18227 9691 1 28 . 1 1 25 25 LYS N N 25 120.099 120.099 117.516 2.583 18227 9692 1 28 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.164 1.912 18227 9693 1 28 . 1 1 25 25 LYS C C 25 177.946 177.946 177.896 0.050 18227 9694 1 28 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.175 -0.042 18227 9695 1 28 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.724 0.546 18227 9696 1 28 . 1 1 25 25 LYS H H 25 8.291 8.291 7.632 0.659 18227 9697 1 28 . 1 1 26 26 SER N N 26 113.558 113.558 113.520 0.038 18227 9698 1 28 . 1 1 26 26 SER HA H 26 4.541 4.541 4.407 0.134 18227 9699 1 28 . 1 1 26 26 SER C C 26 175.212 175.212 174.937 0.275 18227 9700 1 28 . 1 1 26 26 SER CA C 26 59.813 59.813 60.462 -0.649 18227 9701 1 28 . 1 1 26 26 SER CB C 26 63.672 63.672 64.751 -1.079 18227 9702 1 28 . 1 1 26 26 SER H H 26 8.088 8.088 8.032 0.056 18227 9703 1 28 . 1 1 27 27 SER N N 27 116.456 116.456 117.549 -1.093 18227 9704 1 28 . 1 1 27 27 SER HA H 27 4.534 4.534 4.552 -0.018 18227 9705 1 28 . 1 1 27 27 SER C C 27 175.216 175.216 174.634 0.582 18227 9706 1 28 . 1 1 27 27 SER CA C 27 60.042 60.042 58.502 1.540 18227 9707 1 28 . 1 1 27 27 SER CB C 27 63.782 63.782 62.986 0.796 18227 9708 1 28 . 1 1 27 27 SER H H 27 8.025 8.025 8.384 -0.359 18227 9709 1 28 . 1 1 28 28 GLY N N 28 108.769 108.769 108.484 0.285 18227 9710 1 28 . 1 1 28 28 GLY C C 28 174.198 174.198 173.213 0.985 18227 9711 1 28 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.126 0.749 18227 9712 1 28 . 1 1 28 28 GLY H H 28 8.051 8.051 7.458 0.593 18227 9713 1 28 . 1 1 29 29 ALA N N 29 121.719 121.719 122.612 -0.893 18227 9714 1 28 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.429 -0.018 18227 9715 1 28 . 1 1 29 29 ALA C C 29 177.554 177.554 176.779 0.775 18227 9716 1 28 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.118 -0.033 18227 9717 1 28 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.348 0.426 18227 9718 1 28 . 1 1 29 29 ALA H H 29 7.749 7.749 7.720 0.029 18227 9719 1 28 . 1 1 30 30 LEU N N 30 118.220 118.220 112.013 6.207 18227 9720 1 28 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.305 0.241 18227 9721 1 28 . 1 1 30 30 LEU C C 30 176.978 176.978 176.789 0.189 18227 9722 1 28 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.269 -0.602 18227 9723 1 28 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.492 1.264 18227 9724 1 28 . 1 1 30 30 LEU H H 30 7.660 7.660 7.625 0.035 18227 9725 1 28 . 1 1 31 31 ILE N N 31 118.934 118.934 121.220 -2.286 18227 9726 1 28 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.210 0.175 18227 9727 1 28 . 1 1 31 31 ILE C C 31 175.025 175.025 174.976 0.049 18227 9728 1 28 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.392 -1.716 18227 9729 1 28 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.181 2.390 18227 9730 1 28 . 1 1 31 31 ILE H H 31 7.446 7.446 8.205 -0.759 18227 9731 1 28 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.314 0.165 18227 9732 1 28 . 1 1 32 32 PRO C C 32 177.601 177.601 177.925 -0.324 18227 9733 1 28 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.567 -0.247 18227 9734 1 28 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.639 0.596 18227 9735 1 28 . 1 1 33 33 ALA N N 33 118.822 118.822 121.792 -2.970 18227 9736 1 28 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.102 0.265 18227 9737 1 28 . 1 1 33 33 ALA C C 33 179.269 179.269 179.515 -0.246 18227 9738 1 28 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.060 -0.243 18227 9739 1 28 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.322 -0.430 18227 9740 1 28 . 1 1 33 33 ALA H H 33 7.293 7.293 7.400 -0.107 18227 9741 1 28 . 1 1 34 34 ILE N N 34 116.953 116.953 119.696 -2.743 18227 9742 1 28 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.607 0.483 18227 9743 1 28 . 1 1 34 34 ILE C C 34 177.061 177.061 177.839 -0.778 18227 9744 1 28 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.318 -1.333 18227 9745 1 28 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.984 0.135 18227 9746 1 28 . 1 1 34 34 ILE H H 34 7.766 7.766 7.897 -0.131 18227 9747 1 28 . 1 1 35 35 TYR N N 35 118.432 118.432 119.429 -0.997 18227 9748 1 28 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.966 0.402 18227 9749 1 28 . 1 1 35 35 TYR C C 35 178.052 178.052 178.330 -0.278 18227 9750 1 28 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.416 -1.294 18227 9751 1 28 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.284 -0.348 18227 9752 1 28 . 1 1 35 35 TYR H H 35 7.988 7.988 7.910 0.078 18227 9753 1 28 . 1 1 36 36 MET N N 36 117.042 117.042 117.304 -0.262 18227 9754 1 28 . 1 1 36 36 MET HA H 36 4.534 4.534 4.221 0.313 18227 9755 1 28 . 1 1 36 36 MET C C 36 177.734 177.734 178.686 -0.952 18227 9756 1 28 . 1 1 36 36 MET CA C 36 58.272 58.272 57.632 0.640 18227 9757 1 28 . 1 1 36 36 MET CB C 36 31.979 31.979 32.065 -0.086 18227 9758 1 28 . 1 1 36 36 MET H H 36 7.934 7.934 8.080 -0.146 18227 9759 1 28 . 1 1 37 37 LEU N N 37 120.539 120.539 121.078 -0.539 18227 9760 1 28 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.053 0.290 18227 9761 1 28 . 1 1 37 37 LEU C C 37 178.746 178.746 178.870 -0.124 18227 9762 1 28 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.304 0.408 18227 9763 1 28 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.964 0.074 18227 9764 1 28 . 1 1 37 37 LEU H H 37 8.013 8.013 8.290 -0.277 18227 9765 1 28 . 1 1 38 38 VAL N N 38 117.729 117.729 115.861 1.868 18227 9766 1 28 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.880 -0.103 18227 9767 1 28 . 1 1 38 38 VAL C C 38 179.009 179.009 177.864 1.145 18227 9768 1 28 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.536 1.663 18227 9769 1 28 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.776 -0.111 18227 9770 1 28 . 1 1 38 38 VAL H H 38 8.360 8.360 8.540 -0.180 18227 9771 1 28 . 1 1 39 39 PHE N N 39 120.549 120.549 122.633 -2.084 18227 9772 1 28 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.282 0.143 18227 9773 1 28 . 1 1 39 39 PHE C C 39 179.129 179.129 176.369 2.760 18227 9774 1 28 . 1 1 39 39 PHE CA C 39 61.522 61.522 62.082 -0.560 18227 9775 1 28 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.787 -0.684 18227 9776 1 28 . 1 1 39 39 PHE H H 39 8.225 8.225 7.617 0.608 18227 9777 1 28 . 1 1 40 40 LEU N N 40 122.778 122.778 117.148 5.630 18227 9778 1 28 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.173 -0.006 18227 9779 1 28 . 1 1 40 40 LEU C C 40 180.673 180.673 177.732 2.941 18227 9780 1 28 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.664 0.974 18227 9781 1 28 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.316 0.848 18227 9782 1 28 . 1 1 40 40 LEU H H 40 8.874 8.874 8.526 0.348 18227 9783 1 28 . 1 1 41 41 LEU N N 41 122.144 122.144 119.984 2.160 18227 9784 1 28 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.234 0.002 18227 9785 1 28 . 1 1 41 41 LEU C C 41 180.709 180.709 178.966 1.743 18227 9786 1 28 . 1 1 41 41 LEU CA C 41 58.470 58.470 57.074 1.396 18227 9787 1 28 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.032 -0.254 18227 9788 1 28 . 1 1 41 41 LEU H H 41 9.193 9.193 7.377 1.816 18227 9789 1 28 . 1 1 42 42 GLY N N 42 107.124 107.124 106.261 0.863 18227 9790 1 28 . 1 1 42 42 GLY C C 42 176.537 176.537 175.790 0.747 18227 9791 1 28 . 1 1 42 42 GLY CA C 42 46.733 46.733 47.162 -0.429 18227 9792 1 28 . 1 1 42 42 GLY H H 42 8.755 8.755 7.659 1.096 18227 9793 1 28 . 1 1 43 43 THR N N 43 113.411 113.411 115.577 -2.166 18227 9794 1 28 . 1 1 43 43 THR HA H 43 4.299 4.299 3.864 0.435 18227 9795 1 28 . 1 1 43 43 THR C C 43 176.797 176.797 175.234 1.563 18227 9796 1 28 . 1 1 43 43 THR CA C 43 64.990 64.990 66.093 -1.103 18227 9797 1 28 . 1 1 43 43 THR CB C 43 69.731 69.731 68.287 1.444 18227 9798 1 28 . 1 1 43 43 THR H H 43 8.179 8.179 7.867 0.312 18227 9799 1 28 . 1 1 44 44 THR N N 44 114.667 114.667 113.728 0.939 18227 9800 1 28 . 1 1 44 44 THR HA H 44 4.366 4.366 4.378 -0.012 18227 9801 1 28 . 1 1 44 44 THR C C 44 176.375 176.375 175.020 1.355 18227 9802 1 28 . 1 1 44 44 THR CA C 44 64.833 64.833 64.265 0.568 18227 9803 1 28 . 1 1 44 44 THR CB C 44 69.988 69.988 69.665 0.323 18227 9804 1 28 . 1 1 44 44 THR H H 44 8.026 8.026 7.101 0.925 18227 9805 1 28 . 1 1 45 45 GLY N N 45 109.336 109.336 107.698 1.638 18227 9806 1 28 . 1 1 45 45 GLY C C 45 174.924 174.924 174.126 0.798 18227 9807 1 28 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.794 1.933 18227 9808 1 28 . 1 1 45 45 GLY H H 45 8.261 8.261 7.949 0.312 18227 9809 1 28 . 1 1 46 46 ASN N N 46 117.547 117.547 117.928 -0.381 18227 9810 1 28 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.916 -0.177 18227 9811 1 28 . 1 1 46 46 ASN C C 46 176.815 176.815 176.692 0.123 18227 9812 1 28 . 1 1 46 46 ASN CA C 46 55.350 55.350 53.825 1.525 18227 9813 1 28 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.213 -0.720 18227 9814 1 28 . 1 1 46 46 ASN H H 46 8.083 8.083 8.358 -0.275 18227 9815 1 28 . 1 1 47 47 GLY N N 47 106.960 106.960 109.400 -2.440 18227 9816 1 28 . 1 1 47 47 GLY C C 47 175.001 175.001 175.834 -0.833 18227 9817 1 28 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.232 -0.245 18227 9818 1 28 . 1 1 47 47 GLY H H 47 8.318 8.318 7.741 0.577 18227 9819 1 28 . 1 1 48 48 LEU N N 48 120.991 120.991 122.797 -1.806 18227 9820 1 28 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.013 0.476 18227 9821 1 28 . 1 1 48 48 LEU C C 48 180.375 180.375 178.592 1.783 18227 9822 1 28 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.880 0.368 18227 9823 1 28 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.644 0.403 18227 9824 1 28 . 1 1 48 48 LEU H H 48 7.999 7.999 7.637 0.362 18227 9825 1 28 . 1 1 49 49 VAL N N 49 121.040 121.040 118.451 2.589 18227 9826 1 28 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.754 0.079 18227 9827 1 28 . 1 1 49 49 VAL C C 49 178.016 178.016 178.141 -0.125 18227 9828 1 28 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.924 0.293 18227 9829 1 28 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.456 0.484 18227 9830 1 28 . 1 1 49 49 VAL H H 49 7.989 7.989 7.704 0.285 18227 9831 1 28 . 1 1 50 50 LEU N N 50 119.986 119.986 118.983 1.003 18227 9832 1 28 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.026 0.171 18227 9833 1 28 . 1 1 50 50 LEU C C 50 178.823 178.823 179.697 -0.874 18227 9834 1 28 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.822 0.869 18227 9835 1 28 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.346 0.319 18227 9836 1 28 . 1 1 50 50 LEU H H 50 7.926 7.926 7.827 0.099 18227 9837 1 28 . 1 1 51 51 TRP N N 51 117.842 117.842 121.556 -3.714 18227 9838 1 28 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.406 0.281 18227 9839 1 28 . 1 1 51 51 TRP C C 51 178.729 178.729 177.699 1.030 18227 9840 1 28 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.287 -0.907 18227 9841 1 28 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.920 -0.379 18227 9842 1 28 . 1 1 51 51 TRP H H 51 8.525 8.525 8.679 -0.154 18227 9843 1 28 . 1 1 52 52 THR N N 52 114.722 114.722 116.587 -1.865 18227 9844 1 28 . 1 1 52 52 THR HA H 52 4.007 4.007 3.739 0.268 18227 9845 1 28 . 1 1 52 52 THR C C 52 176.228 176.228 177.058 -0.830 18227 9846 1 28 . 1 1 52 52 THR CA C 52 67.517 67.517 67.214 0.303 18227 9847 1 28 . 1 1 52 52 THR CB C 52 69.051 69.051 69.089 -0.038 18227 9848 1 28 . 1 1 52 52 THR H H 52 8.248 8.248 8.337 -0.089 18227 9849 1 28 . 1 1 53 53 VAL N N 53 123.008 123.008 122.071 0.937 18227 9850 1 28 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.589 0.159 18227 9851 1 28 . 1 1 53 53 VAL C C 53 178.474 178.474 177.072 1.402 18227 9852 1 28 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.163 0.292 18227 9853 1 28 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.363 0.477 18227 9854 1 28 . 1 1 53 53 VAL H H 53 8.634 8.634 8.698 -0.064 18227 9855 1 28 . 1 1 54 54 PHE N N 54 119.554 119.554 118.339 1.215 18227 9856 1 28 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.065 0.345 18227 9857 1 28 . 1 1 54 54 PHE C C 54 179.173 179.173 176.866 2.307 18227 9858 1 28 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.735 -0.648 18227 9859 1 28 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.734 0.056 18227 9860 1 28 . 1 1 54 54 PHE H H 54 8.860 8.860 7.644 1.216 18227 9861 1 28 . 1 1 55 55 ARG N N 55 118.355 118.355 116.554 1.801 18227 9862 1 28 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.207 -0.087 18227 9863 1 28 . 1 1 55 55 ARG C C 55 178.719 178.719 176.594 2.125 18227 9864 1 28 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.189 1.787 18227 9865 1 28 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.500 -0.422 18227 9866 1 28 . 1 1 55 55 ARG H H 55 8.296 8.296 7.785 0.511 18227 9867 1 28 . 1 1 56 56 LYS N N 56 119.698 119.698 119.097 0.601 18227 9868 1 28 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.356 -0.063 18227 9869 1 28 . 1 1 56 56 LYS C C 56 178.742 178.742 177.464 1.278 18227 9870 1 28 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.442 1.609 18227 9871 1 28 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.056 -1.285 18227 9872 1 28 . 1 1 56 56 LYS H H 56 8.377 8.377 8.070 0.307 18227 9873 1 28 . 1 1 57 57 LYS N N 57 119.104 119.104 119.004 0.100 18227 9874 1 28 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.420 -0.075 18227 9875 1 28 . 1 1 57 57 LYS C C 57 178.311 178.311 178.875 -0.564 18227 9876 1 28 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.786 1.346 18227 9877 1 28 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.565 0.125 18227 9878 1 28 . 1 1 57 57 LYS H H 57 8.610 8.610 8.462 0.148 18227 9879 1 28 . 1 1 58 58 GLY N N 58 106.684 106.684 108.939 -2.255 18227 9880 1 28 . 1 1 58 58 GLY C C 58 174.451 174.451 175.314 -0.863 18227 9881 1 28 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.158 -0.246 18227 9882 1 28 . 1 1 58 58 GLY H H 58 8.154 8.154 7.542 0.612 18227 9883 1 28 . 1 1 59 59 HIS N N 59 116.995 116.995 119.540 -2.545 18227 9884 1 28 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.379 0.396 18227 9885 1 28 . 1 1 59 59 HIS C C 59 174.529 174.529 175.451 -0.922 18227 9886 1 28 . 1 1 59 59 HIS CA C 59 56.140 56.140 58.560 -2.420 18227 9887 1 28 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.765 -1.138 18227 9888 1 28 . 1 1 59 59 HIS H H 59 8.106 8.106 8.397 -0.291 18227 9889 1 28 . 1 1 60 60 HIS N N 60 117.887 117.887 118.224 -0.337 18227 9890 1 28 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.741 0.105 18227 9891 1 28 . 1 1 60 60 HIS C C 60 174.247 174.247 174.469 -0.222 18227 9892 1 28 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.797 0.110 18227 9893 1 28 . 1 1 60 60 HIS CB C 60 29.050 29.050 28.388 0.662 18227 9894 1 28 . 1 1 60 60 HIS H H 60 8.425 8.425 7.585 0.840 18227 9895 1 28 . 1 1 61 61 HIS N N 61 118.329 118.329 121.076 -2.747 18227 9896 1 28 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.592 0.281 18227 9897 1 28 . 1 1 61 61 HIS C C 61 174.139 174.139 174.265 -0.126 18227 9898 1 28 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.837 -0.042 18227 9899 1 28 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.904 -1.634 18227 9900 1 28 . 1 1 61 61 HIS H H 61 8.573 8.573 7.734 0.839 18227 9901 1 28 . 1 1 62 62 HIS N N 62 118.968 118.968 119.634 -0.666 18227 9902 1 28 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.179 0.696 18227 9903 1 28 . 1 1 62 62 HIS C C 62 173.827 173.827 174.373 -0.546 18227 9904 1 28 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.559 -0.790 18227 9905 1 28 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.688 0.581 18227 9906 1 28 . 1 1 62 62 HIS H H 62 8.662 8.662 8.067 0.595 18227 9907 1 28 . 1 1 63 63 HIS N N 63 118.949 118.949 121.844 -2.895 18227 9908 1 28 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.162 0.688 18227 9909 1 28 . 1 1 63 63 HIS C C 63 173.433 173.433 174.156 -0.723 18227 9910 1 28 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.846 -1.057 18227 9911 1 28 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.738 0.725 18227 9912 1 28 . 1 1 63 63 HIS H H 63 8.518 8.518 8.898 -0.380 18227 9913 1 29 . 1 1 2 2 GLU N N 2 122.322 122.322 118.478 3.844 18227 9914 1 29 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.333 0.345 18227 9915 1 29 . 1 1 2 2 GLU C C 2 175.160 175.160 174.803 0.357 18227 9916 1 29 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.403 -0.310 18227 9917 1 29 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.425 -0.250 18227 9918 1 29 . 1 1 2 2 GLU H H 2 8.641 8.641 7.774 0.867 18227 9919 1 29 . 1 1 3 3 GLU N N 3 121.391 121.391 122.158 -0.767 18227 9920 1 29 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.610 0.020 18227 9921 1 29 . 1 1 3 3 GLU C C 3 176.097 176.097 175.407 0.690 18227 9922 1 29 . 1 1 3 3 GLU CA C 3 56.087 56.087 55.910 0.177 18227 9923 1 29 . 1 1 3 3 GLU CB C 3 29.184 29.184 31.570 -2.386 18227 9924 1 29 . 1 1 3 3 GLU H H 3 8.448 8.448 8.154 0.294 18227 9925 1 29 . 1 1 4 4 GLY N N 4 109.002 109.002 108.821 0.181 18227 9926 1 29 . 1 1 4 4 GLY C C 4 174.407 174.407 173.627 0.780 18227 9927 1 29 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.182 1.263 18227 9928 1 29 . 1 1 4 4 GLY H H 4 8.333 8.333 7.978 0.355 18227 9929 1 29 . 1 1 5 5 GLY N N 5 107.419 107.419 108.991 -1.572 18227 9930 1 29 . 1 1 5 5 GLY C C 5 173.914 173.914 174.983 -1.069 18227 9931 1 29 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.547 -0.057 18227 9932 1 29 . 1 1 5 5 GLY H H 5 8.120 8.120 8.445 -0.325 18227 9933 1 29 . 1 1 6 6 ASP N N 6 117.918 117.918 118.650 -0.732 18227 9934 1 29 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.351 0.555 18227 9935 1 29 . 1 1 6 6 ASP C C 6 175.114 175.114 175.381 -0.267 18227 9936 1 29 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.217 -1.098 18227 9937 1 29 . 1 1 6 6 ASP CB C 6 37.959 37.959 39.445 -1.486 18227 9938 1 29 . 1 1 6 6 ASP H H 6 8.204 8.204 8.476 -0.272 18227 9939 1 29 . 1 1 7 7 PHE N N 7 119.801 119.801 115.700 4.101 18227 9940 1 29 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.628 0.082 18227 9941 1 29 . 1 1 7 7 PHE C C 7 175.789 175.789 174.332 1.457 18227 9942 1 29 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.427 1.249 18227 9943 1 29 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.313 -0.144 18227 9944 1 29 . 1 1 7 7 PHE H H 7 8.072 8.072 7.996 0.076 18227 9945 1 29 . 1 1 8 8 ASP N N 8 117.963 117.963 125.220 -7.257 18227 9946 1 29 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.222 0.555 18227 9947 1 29 . 1 1 8 8 ASP C C 8 174.919 174.919 175.767 -0.848 18227 9948 1 29 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.340 -0.760 18227 9949 1 29 . 1 1 8 8 ASP CB C 8 37.723 37.723 42.934 -5.211 18227 9950 1 29 . 1 1 8 8 ASP H H 8 8.184 8.184 8.639 -0.455 18227 9951 1 29 . 1 1 9 9 ASN N N 9 117.736 117.736 117.382 0.354 18227 9952 1 29 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.133 0.657 18227 9953 1 29 . 1 1 9 9 ASN C C 9 174.974 174.974 174.860 0.114 18227 9954 1 29 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.774 -1.038 18227 9955 1 29 . 1 1 9 9 ASN CB C 9 38.570 38.570 36.376 2.194 18227 9956 1 29 . 1 1 9 9 ASN H H 9 8.080 8.080 8.441 -0.361 18227 9957 1 29 . 1 1 10 10 TYR N N 10 119.580 119.580 118.094 1.486 18227 9958 1 29 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.158 0.468 18227 9959 1 29 . 1 1 10 10 TYR C C 10 175.935 175.935 175.963 -0.028 18227 9960 1 29 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.372 0.407 18227 9961 1 29 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.843 0.671 18227 9962 1 29 . 1 1 10 10 TYR H H 10 7.869 7.869 7.994 -0.125 18227 9963 1 29 . 1 1 11 11 TYR N N 11 120.254 120.254 123.458 -3.204 18227 9964 1 29 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.099 0.520 18227 9965 1 29 . 1 1 11 11 TYR C C 11 176.666 176.666 174.858 1.808 18227 9966 1 29 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.945 -0.089 18227 9967 1 29 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.294 1.194 18227 9968 1 29 . 1 1 11 11 TYR H H 11 7.906 7.906 8.988 -1.082 18227 9969 1 29 . 1 1 12 12 GLY N N 12 108.226 108.226 103.884 4.342 18227 9970 1 29 . 1 1 12 12 GLY C C 12 174.314 174.314 172.873 1.441 18227 9971 1 29 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.731 0.049 18227 9972 1 29 . 1 1 12 12 GLY H H 12 7.817 7.817 7.845 -0.028 18227 9973 1 29 . 1 1 13 13 ALA N N 13 122.970 122.970 122.923 0.047 18227 9974 1 29 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.367 0.103 18227 9975 1 29 . 1 1 13 13 ALA C C 13 178.137 178.137 176.814 1.323 18227 9976 1 29 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.848 0.602 18227 9977 1 29 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.122 -1.439 18227 9978 1 29 . 1 1 13 13 ALA H H 13 7.913 7.913 7.632 0.281 18227 9979 1 29 . 1 1 14 14 ASP N N 14 116.374 116.374 118.025 -1.651 18227 9980 1 29 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.468 0.407 18227 9981 1 29 . 1 1 14 14 ASP C C 14 175.450 175.450 177.402 -1.952 18227 9982 1 29 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.304 -1.664 18227 9983 1 29 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.737 -2.875 18227 9984 1 29 . 1 1 14 14 ASP H H 14 8.348 8.348 8.373 -0.025 18227 9985 1 29 . 1 1 15 15 ASN N N 15 118.423 118.423 118.943 -0.520 18227 9986 1 29 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.328 0.542 18227 9987 1 29 . 1 1 15 15 ASN C C 15 176.054 176.054 176.578 -0.524 18227 9988 1 29 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.048 -1.620 18227 9989 1 29 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.230 0.452 18227 9990 1 29 . 1 1 15 15 ASN H H 15 8.272 8.272 8.663 -0.391 18227 9991 1 29 . 1 1 16 16 GLN N N 16 120.129 120.129 116.921 3.208 18227 9992 1 29 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.312 0.104 18227 9993 1 29 . 1 1 16 16 GLN C C 16 177.337 177.337 177.423 -0.086 18227 9994 1 29 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.951 0.305 18227 9995 1 29 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.299 0.485 18227 9996 1 29 . 1 1 16 16 GLN H H 16 8.481 8.481 8.287 0.194 18227 9997 1 29 . 1 1 17 17 SER N N 17 115.051 115.051 115.994 -0.943 18227 9998 1 29 . 1 1 17 17 SER HA H 17 4.505 4.505 4.316 0.189 18227 9999 1 29 . 1 1 17 17 SER C C 17 175.596 175.596 176.191 -0.595 18227 10000 1 29 . 1 1 17 17 SER CA C 17 60.767 60.767 60.263 0.504 18227 10001 1 29 . 1 1 17 17 SER CB C 17 63.325 63.325 62.981 0.344 18227 10002 1 29 . 1 1 17 17 SER H H 17 8.380 8.380 7.854 0.526 18227 10003 1 29 . 1 1 18 18 GLU N N 18 120.901 120.901 121.830 -0.929 18227 10004 1 29 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.990 0.469 18227 10005 1 29 . 1 1 18 18 GLU C C 18 177.867 177.867 178.407 -0.540 18227 10006 1 29 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.384 -1.161 18227 10007 1 29 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.769 -1.704 18227 10008 1 29 . 1 1 18 18 GLU H H 18 8.233 8.233 8.457 -0.224 18227 10009 1 29 . 1 1 19 19 CYS N N 19 118.899 118.899 117.254 1.645 18227 10010 1 29 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.221 0.255 18227 10011 1 29 . 1 1 19 19 CYS C C 19 175.896 175.896 175.589 0.307 18227 10012 1 29 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.862 -0.600 18227 10013 1 29 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.941 0.118 18227 10014 1 29 . 1 1 19 19 CYS H H 19 8.245 8.245 8.572 -0.327 18227 10015 1 29 . 1 1 20 20 GLU N N 20 120.324 120.324 117.603 2.721 18227 10016 1 29 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.488 -0.161 18227 10017 1 29 . 1 1 20 20 GLU C C 20 177.163 177.163 175.981 1.182 18227 10018 1 29 . 1 1 20 20 GLU CA C 20 58.372 58.372 55.719 2.653 18227 10019 1 29 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.777 -0.733 18227 10020 1 29 . 1 1 20 20 GLU H H 20 8.299 8.299 7.610 0.689 18227 10021 1 29 . 1 1 21 21 TYR N N 21 118.601 118.601 123.389 -4.788 18227 10022 1 29 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.683 -0.078 18227 10023 1 29 . 1 1 21 21 TYR C C 21 177.166 177.166 176.157 1.009 18227 10024 1 29 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.585 -1.179 18227 10025 1 29 . 1 1 21 21 TYR CB C 21 38.478 38.478 40.202 -1.724 18227 10026 1 29 . 1 1 21 21 TYR H H 21 8.165 8.165 8.767 -0.602 18227 10027 1 29 . 1 1 22 22 THR N N 22 112.362 112.362 112.453 -0.091 18227 10028 1 29 . 1 1 22 22 THR HA H 22 4.203 4.203 4.240 -0.037 18227 10029 1 29 . 1 1 22 22 THR C C 22 176.226 176.226 175.477 0.749 18227 10030 1 29 . 1 1 22 22 THR CA C 22 64.825 64.825 65.090 -0.265 18227 10031 1 29 . 1 1 22 22 THR CB C 22 69.471 69.471 68.371 1.100 18227 10032 1 29 . 1 1 22 22 THR H H 22 8.063 8.063 8.187 -0.124 18227 10033 1 29 . 1 1 23 23 ASP N N 23 121.414 121.414 121.062 0.352 18227 10034 1 29 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.655 0.088 18227 10035 1 29 . 1 1 23 23 ASP C C 23 176.664 176.664 176.822 -0.158 18227 10036 1 29 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.174 -1.015 18227 10037 1 29 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.312 -3.837 18227 10038 1 29 . 1 1 23 23 ASP H H 23 8.355 8.355 7.896 0.459 18227 10039 1 29 . 1 1 24 24 TRP N N 24 121.858 121.858 122.968 -1.110 18227 10040 1 29 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.035 0.605 18227 10041 1 29 . 1 1 24 24 TRP C C 24 178.311 178.311 177.537 0.774 18227 10042 1 29 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.770 -1.126 18227 10043 1 29 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.143 -0.400 18227 10044 1 29 . 1 1 24 24 TRP H H 24 8.363 8.363 7.633 0.730 18227 10045 1 29 . 1 1 25 25 LYS N N 25 120.099 120.099 117.165 2.934 18227 10046 1 29 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.418 1.658 18227 10047 1 29 . 1 1 25 25 LYS C C 25 177.946 177.946 178.125 -0.179 18227 10048 1 29 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.190 -0.056 18227 10049 1 29 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.698 0.572 18227 10050 1 29 . 1 1 25 25 LYS H H 25 8.291 8.291 7.157 1.134 18227 10051 1 29 . 1 1 26 26 SER N N 26 113.558 113.558 109.912 3.646 18227 10052 1 29 . 1 1 26 26 SER HA H 26 4.541 4.541 4.390 0.151 18227 10053 1 29 . 1 1 26 26 SER C C 26 175.212 175.212 174.989 0.223 18227 10054 1 29 . 1 1 26 26 SER CA C 26 59.813 59.813 58.636 1.177 18227 10055 1 29 . 1 1 26 26 SER CB C 26 63.672 63.672 64.123 -0.451 18227 10056 1 29 . 1 1 26 26 SER H H 26 8.088 8.088 8.041 0.047 18227 10057 1 29 . 1 1 27 27 SER N N 27 116.456 116.456 116.542 -0.086 18227 10058 1 29 . 1 1 27 27 SER HA H 27 4.534 4.534 4.664 -0.130 18227 10059 1 29 . 1 1 27 27 SER C C 27 175.216 175.216 175.137 0.079 18227 10060 1 29 . 1 1 27 27 SER CA C 27 60.042 60.042 58.834 1.208 18227 10061 1 29 . 1 1 27 27 SER CB C 27 63.782 63.782 63.951 -0.169 18227 10062 1 29 . 1 1 27 27 SER H H 27 8.025 8.025 8.309 -0.284 18227 10063 1 29 . 1 1 28 28 GLY N N 28 108.769 108.769 109.494 -0.725 18227 10064 1 29 . 1 1 28 28 GLY C C 28 174.198 174.198 174.014 0.184 18227 10065 1 29 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.259 0.616 18227 10066 1 29 . 1 1 28 28 GLY H H 28 8.051 8.051 7.847 0.204 18227 10067 1 29 . 1 1 29 29 ALA N N 29 121.719 121.719 123.244 -1.525 18227 10068 1 29 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.477 -0.066 18227 10069 1 29 . 1 1 29 29 ALA C C 29 177.554 177.554 176.611 0.943 18227 10070 1 29 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.442 0.643 18227 10071 1 29 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.265 1.509 18227 10072 1 29 . 1 1 29 29 ALA H H 29 7.749 7.749 8.226 -0.477 18227 10073 1 29 . 1 1 30 30 LEU N N 30 118.220 118.220 111.861 6.359 18227 10074 1 29 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.494 0.052 18227 10075 1 29 . 1 1 30 30 LEU C C 30 176.978 176.978 177.225 -0.247 18227 10076 1 29 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.910 -0.242 18227 10077 1 29 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.204 0.552 18227 10078 1 29 . 1 1 30 30 LEU H H 30 7.660 7.660 7.277 0.383 18227 10079 1 29 . 1 1 31 31 ILE N N 31 118.934 118.934 122.449 -3.515 18227 10080 1 29 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.120 0.265 18227 10081 1 29 . 1 1 31 31 ILE C C 31 175.025 175.025 174.722 0.303 18227 10082 1 29 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.688 -4.011 18227 10083 1 29 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.859 1.712 18227 10084 1 29 . 1 1 31 31 ILE H H 31 7.446 7.446 7.599 -0.153 18227 10085 1 29 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.134 0.345 18227 10086 1 29 . 1 1 32 32 PRO C C 32 177.601 177.601 178.171 -0.570 18227 10087 1 29 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.014 -0.694 18227 10088 1 29 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.997 0.238 18227 10089 1 29 . 1 1 33 33 ALA N N 33 118.822 118.822 121.154 -2.332 18227 10090 1 29 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.081 0.286 18227 10091 1 29 . 1 1 33 33 ALA C C 33 179.269 179.269 179.803 -0.534 18227 10092 1 29 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.146 -0.329 18227 10093 1 29 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.261 -0.369 18227 10094 1 29 . 1 1 33 33 ALA H H 33 7.293 7.293 8.053 -0.760 18227 10095 1 29 . 1 1 34 34 ILE N N 34 116.953 116.953 119.282 -2.329 18227 10096 1 29 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.660 0.429 18227 10097 1 29 . 1 1 34 34 ILE C C 34 177.061 177.061 178.269 -1.208 18227 10098 1 29 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.077 -1.092 18227 10099 1 29 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.199 0.920 18227 10100 1 29 . 1 1 34 34 ILE H H 34 7.766 7.766 7.483 0.283 18227 10101 1 29 . 1 1 35 35 TYR N N 35 118.432 118.432 118.523 -0.091 18227 10102 1 29 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.089 0.279 18227 10103 1 29 . 1 1 35 35 TYR C C 35 178.052 178.052 178.503 -0.451 18227 10104 1 29 . 1 1 35 35 TYR CA C 35 61.122 61.122 61.832 -0.710 18227 10105 1 29 . 1 1 35 35 TYR CB C 35 37.936 37.936 37.737 0.199 18227 10106 1 29 . 1 1 35 35 TYR H H 35 7.988 7.988 8.325 -0.337 18227 10107 1 29 . 1 1 36 36 MET N N 36 117.042 117.042 118.232 -1.190 18227 10108 1 29 . 1 1 36 36 MET HA H 36 4.534 4.534 4.291 0.243 18227 10109 1 29 . 1 1 36 36 MET C C 36 177.734 177.734 178.644 -0.910 18227 10110 1 29 . 1 1 36 36 MET CA C 36 58.272 58.272 58.088 0.184 18227 10111 1 29 . 1 1 36 36 MET CB C 36 31.979 31.979 32.116 -0.137 18227 10112 1 29 . 1 1 36 36 MET H H 36 7.934 7.934 8.265 -0.331 18227 10113 1 29 . 1 1 37 37 LEU N N 37 120.539 120.539 119.234 1.305 18227 10114 1 29 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.109 0.234 18227 10115 1 29 . 1 1 37 37 LEU C C 37 178.746 178.746 177.539 1.207 18227 10116 1 29 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.510 1.202 18227 10117 1 29 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.154 -0.116 18227 10118 1 29 . 1 1 37 37 LEU H H 37 8.013 8.013 7.887 0.126 18227 10119 1 29 . 1 1 38 38 VAL N N 38 117.729 117.729 115.119 2.610 18227 10120 1 29 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.111 -0.334 18227 10121 1 29 . 1 1 38 38 VAL C C 38 179.009 179.009 175.235 3.774 18227 10122 1 29 . 1 1 38 38 VAL CA C 38 67.199 67.199 62.491 4.708 18227 10123 1 29 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.031 -0.366 18227 10124 1 29 . 1 1 38 38 VAL H H 38 8.360 8.360 7.982 0.378 18227 10125 1 29 . 1 1 39 39 PHE N N 39 120.549 120.549 118.684 1.865 18227 10126 1 29 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.777 -0.352 18227 10127 1 29 . 1 1 39 39 PHE C C 39 179.129 179.129 175.285 3.844 18227 10128 1 29 . 1 1 39 39 PHE CA C 39 61.522 61.522 57.706 3.817 18227 10129 1 29 . 1 1 39 39 PHE CB C 39 39.103 39.103 42.888 -3.784 18227 10130 1 29 . 1 1 39 39 PHE H H 39 8.225 8.225 8.031 0.194 18227 10131 1 29 . 1 1 40 40 LEU N N 40 122.778 122.778 115.547 7.231 18227 10132 1 29 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.645 -0.478 18227 10133 1 29 . 1 1 40 40 LEU C C 40 180.673 180.673 176.166 4.507 18227 10134 1 29 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.912 2.726 18227 10135 1 29 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.470 -0.306 18227 10136 1 29 . 1 1 40 40 LEU H H 40 8.874 8.874 8.357 0.517 18227 10137 1 29 . 1 1 41 41 LEU N N 41 122.144 122.144 120.963 1.181 18227 10138 1 29 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.416 -0.180 18227 10139 1 29 . 1 1 41 41 LEU C C 41 180.709 180.709 178.438 2.271 18227 10140 1 29 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.168 2.302 18227 10141 1 29 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.720 -0.942 18227 10142 1 29 . 1 1 41 41 LEU H H 41 9.193 9.193 7.714 1.479 18227 10143 1 29 . 1 1 42 42 GLY N N 42 107.124 107.124 104.443 2.681 18227 10144 1 29 . 1 1 42 42 GLY C C 42 176.537 176.537 174.474 2.063 18227 10145 1 29 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.360 1.373 18227 10146 1 29 . 1 1 42 42 GLY H H 42 8.755 8.755 8.503 0.252 18227 10147 1 29 . 1 1 43 43 THR N N 43 113.411 113.411 112.062 1.349 18227 10148 1 29 . 1 1 43 43 THR HA H 43 4.299 4.299 4.476 -0.177 18227 10149 1 29 . 1 1 43 43 THR C C 43 176.797 176.797 173.941 2.856 18227 10150 1 29 . 1 1 43 43 THR CA C 43 64.990 64.990 61.331 3.659 18227 10151 1 29 . 1 1 43 43 THR CB C 43 69.731 69.731 68.671 1.060 18227 10152 1 29 . 1 1 43 43 THR H H 43 8.179 8.179 7.736 0.443 18227 10153 1 29 . 1 1 44 44 THR N N 44 114.667 114.667 115.783 -1.116 18227 10154 1 29 . 1 1 44 44 THR HA H 44 4.366 4.366 4.374 -0.008 18227 10155 1 29 . 1 1 44 44 THR C C 44 176.375 176.375 173.513 2.862 18227 10156 1 29 . 1 1 44 44 THR CA C 44 64.833 64.833 63.450 1.383 18227 10157 1 29 . 1 1 44 44 THR CB C 44 69.988 69.988 70.976 -0.988 18227 10158 1 29 . 1 1 44 44 THR H H 44 8.026 8.026 7.633 0.393 18227 10159 1 29 . 1 1 45 45 GLY N N 45 109.336 109.336 107.208 2.128 18227 10160 1 29 . 1 1 45 45 GLY C C 45 174.924 174.924 173.588 1.336 18227 10161 1 29 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.352 1.375 18227 10162 1 29 . 1 1 45 45 GLY H H 45 8.261 8.261 7.916 0.345 18227 10163 1 29 . 1 1 46 46 ASN N N 46 117.547 117.547 118.910 -1.363 18227 10164 1 29 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.822 -0.083 18227 10165 1 29 . 1 1 46 46 ASN C C 46 176.815 176.815 176.629 0.186 18227 10166 1 29 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.166 1.184 18227 10167 1 29 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.520 -1.027 18227 10168 1 29 . 1 1 46 46 ASN H H 46 8.083 8.083 7.904 0.179 18227 10169 1 29 . 1 1 47 47 GLY N N 47 106.960 106.960 109.884 -2.924 18227 10170 1 29 . 1 1 47 47 GLY C C 47 175.001 175.001 176.128 -1.127 18227 10171 1 29 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.159 -0.172 18227 10172 1 29 . 1 1 47 47 GLY H H 47 8.318 8.318 7.949 0.369 18227 10173 1 29 . 1 1 48 48 LEU N N 48 120.991 120.991 121.540 -0.549 18227 10174 1 29 . 1 1 48 48 LEU HA H 48 4.489 4.489 3.975 0.514 18227 10175 1 29 . 1 1 48 48 LEU C C 48 180.375 180.375 178.370 2.005 18227 10176 1 29 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.699 0.549 18227 10177 1 29 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.606 0.441 18227 10178 1 29 . 1 1 48 48 LEU H H 48 7.999 7.999 8.147 -0.148 18227 10179 1 29 . 1 1 49 49 VAL N N 49 121.040 121.040 118.541 2.499 18227 10180 1 29 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.658 0.175 18227 10181 1 29 . 1 1 49 49 VAL C C 49 178.016 178.016 177.919 0.097 18227 10182 1 29 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.401 0.816 18227 10183 1 29 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.904 0.036 18227 10184 1 29 . 1 1 49 49 VAL H H 49 7.989 7.989 7.528 0.461 18227 10185 1 29 . 1 1 50 50 LEU N N 50 119.986 119.986 119.065 0.921 18227 10186 1 29 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.920 0.277 18227 10187 1 29 . 1 1 50 50 LEU C C 50 178.823 178.823 179.224 -0.401 18227 10188 1 29 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.878 0.812 18227 10189 1 29 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.398 0.267 18227 10190 1 29 . 1 1 50 50 LEU H H 50 7.926 7.926 7.830 0.096 18227 10191 1 29 . 1 1 51 51 TRP N N 51 117.842 117.842 120.634 -2.792 18227 10192 1 29 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.361 0.326 18227 10193 1 29 . 1 1 51 51 TRP C C 51 178.729 178.729 177.994 0.735 18227 10194 1 29 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.104 -0.724 18227 10195 1 29 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.927 -0.386 18227 10196 1 29 . 1 1 51 51 TRP H H 51 8.525 8.525 8.547 -0.022 18227 10197 1 29 . 1 1 52 52 THR N N 52 114.722 114.722 117.561 -2.839 18227 10198 1 29 . 1 1 52 52 THR HA H 52 4.007 4.007 3.669 0.338 18227 10199 1 29 . 1 1 52 52 THR C C 52 176.228 176.228 176.768 -0.540 18227 10200 1 29 . 1 1 52 52 THR CA C 52 67.517 67.517 67.677 -0.160 18227 10201 1 29 . 1 1 52 52 THR CB C 52 69.051 69.051 68.894 0.157 18227 10202 1 29 . 1 1 52 52 THR H H 52 8.248 8.248 8.698 -0.450 18227 10203 1 29 . 1 1 53 53 VAL N N 53 123.008 123.008 121.210 1.798 18227 10204 1 29 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.588 0.160 18227 10205 1 29 . 1 1 53 53 VAL C C 53 178.474 178.474 177.854 0.620 18227 10206 1 29 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.519 -0.064 18227 10207 1 29 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.291 0.549 18227 10208 1 29 . 1 1 53 53 VAL H H 53 8.634 8.634 8.637 -0.003 18227 10209 1 29 . 1 1 54 54 PHE N N 54 119.554 119.554 118.821 0.733 18227 10210 1 29 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.023 0.387 18227 10211 1 29 . 1 1 54 54 PHE C C 54 179.173 179.173 177.921 1.252 18227 10212 1 29 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.762 -0.675 18227 10213 1 29 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.311 0.479 18227 10214 1 29 . 1 1 54 54 PHE H H 54 8.860 8.860 7.774 1.086 18227 10215 1 29 . 1 1 55 55 ARG N N 55 118.355 118.355 117.604 0.751 18227 10216 1 29 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.884 0.236 18227 10217 1 29 . 1 1 55 55 ARG C C 55 178.719 178.719 178.537 0.182 18227 10218 1 29 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.763 0.213 18227 10219 1 29 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.790 0.288 18227 10220 1 29 . 1 1 55 55 ARG H H 55 8.296 8.296 7.544 0.752 18227 10221 1 29 . 1 1 56 56 LYS N N 56 119.698 119.698 120.877 -1.179 18227 10222 1 29 . 1 1 56 56 LYS HA H 56 4.293 4.293 3.855 0.438 18227 10223 1 29 . 1 1 56 56 LYS C C 56 178.742 178.742 178.187 0.555 18227 10224 1 29 . 1 1 56 56 LYS CA C 56 59.051 59.051 59.184 -0.133 18227 10225 1 29 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.258 0.513 18227 10226 1 29 . 1 1 56 56 LYS H H 56 8.377 8.377 8.159 0.218 18227 10227 1 29 . 1 1 57 57 LYS N N 57 119.104 119.104 115.398 3.706 18227 10228 1 29 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.409 -0.064 18227 10229 1 29 . 1 1 57 57 LYS C C 57 178.311 178.311 178.590 -0.279 18227 10230 1 29 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.996 0.136 18227 10231 1 29 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.882 -0.192 18227 10232 1 29 . 1 1 57 57 LYS H H 57 8.610 8.610 8.068 0.542 18227 10233 1 29 . 1 1 58 58 GLY N N 58 106.684 106.684 107.487 -0.803 18227 10234 1 29 . 1 1 58 58 GLY C C 58 174.451 174.451 175.076 -0.625 18227 10235 1 29 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.088 -0.175 18227 10236 1 29 . 1 1 58 58 GLY H H 58 8.154 8.154 7.647 0.507 18227 10237 1 29 . 1 1 59 59 HIS N N 59 116.995 116.995 117.932 -0.937 18227 10238 1 29 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.176 0.599 18227 10239 1 29 . 1 1 59 59 HIS C C 59 174.529 174.529 175.732 -1.203 18227 10240 1 29 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.517 -1.377 18227 10241 1 29 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.806 -1.179 18227 10242 1 29 . 1 1 59 59 HIS H H 59 8.106 8.106 7.849 0.257 18227 10243 1 29 . 1 1 60 60 HIS N N 60 117.887 117.887 116.119 1.768 18227 10244 1 29 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.597 0.249 18227 10245 1 29 . 1 1 60 60 HIS C C 60 174.247 174.247 175.720 -1.473 18227 10246 1 29 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.018 -1.111 18227 10247 1 29 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.789 -1.739 18227 10248 1 29 . 1 1 60 60 HIS H H 60 8.425 8.425 7.430 0.995 18227 10249 1 29 . 1 1 61 61 HIS N N 61 118.329 118.329 115.283 3.046 18227 10250 1 29 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.706 0.167 18227 10251 1 29 . 1 1 61 61 HIS C C 61 174.139 174.139 175.074 -0.935 18227 10252 1 29 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.958 -1.163 18227 10253 1 29 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.067 -1.797 18227 10254 1 29 . 1 1 61 61 HIS H H 61 8.573 8.573 8.914 -0.341 18227 10255 1 29 . 1 1 62 62 HIS N N 62 118.968 118.968 116.798 2.170 18227 10256 1 29 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.715 0.160 18227 10257 1 29 . 1 1 62 62 HIS C C 62 173.827 173.827 174.844 -1.017 18227 10258 1 29 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.320 -0.552 18227 10259 1 29 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.192 -0.924 18227 10260 1 29 . 1 1 62 62 HIS H H 62 8.662 8.662 8.362 0.300 18227 10261 1 29 . 1 1 63 63 HIS N N 63 118.949 118.949 122.206 -3.257 18227 10262 1 29 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.516 0.334 18227 10263 1 29 . 1 1 63 63 HIS C C 63 173.433 173.433 174.849 -1.416 18227 10264 1 29 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.866 -0.077 18227 10265 1 29 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.770 0.692 18227 10266 1 29 . 1 1 63 63 HIS H H 63 8.518 8.518 6.488 2.030 18227 10267 1 30 . 1 1 2 2 GLU N N 2 122.322 122.322 121.225 1.097 18227 10268 1 30 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.553 0.125 18227 10269 1 30 . 1 1 2 2 GLU C C 2 175.160 175.160 176.290 -1.130 18227 10270 1 30 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.953 0.140 18227 10271 1 30 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.416 -1.241 18227 10272 1 30 . 1 1 2 2 GLU H H 2 8.641 8.641 8.408 0.233 18227 10273 1 30 . 1 1 3 3 GLU N N 3 121.391 121.391 119.003 2.388 18227 10274 1 30 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.185 0.445 18227 10275 1 30 . 1 1 3 3 GLU C C 3 176.097 176.097 176.934 -0.837 18227 10276 1 30 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.649 -0.562 18227 10277 1 30 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.980 -0.796 18227 10278 1 30 . 1 1 3 3 GLU H H 3 8.448 8.448 8.501 -0.053 18227 10279 1 30 . 1 1 4 4 GLY N N 4 109.002 109.002 108.021 0.981 18227 10280 1 30 . 1 1 4 4 GLY C C 4 174.407 174.407 174.208 0.199 18227 10281 1 30 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.507 -0.062 18227 10282 1 30 . 1 1 4 4 GLY H H 4 8.333 8.333 8.718 -0.385 18227 10283 1 30 . 1 1 5 5 GLY N N 5 107.419 107.419 108.584 -1.165 18227 10284 1 30 . 1 1 5 5 GLY C C 5 173.914 173.914 172.857 1.057 18227 10285 1 30 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.688 0.802 18227 10286 1 30 . 1 1 5 5 GLY H H 5 8.120 8.120 8.142 -0.022 18227 10287 1 30 . 1 1 6 6 ASP N N 6 117.918 117.918 119.184 -1.266 18227 10288 1 30 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.840 0.066 18227 10289 1 30 . 1 1 6 6 ASP C C 6 175.114 175.114 175.315 -0.201 18227 10290 1 30 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.678 -0.559 18227 10291 1 30 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.482 -3.523 18227 10292 1 30 . 1 1 6 6 ASP H H 6 8.204 8.204 8.473 -0.269 18227 10293 1 30 . 1 1 7 7 PHE N N 7 119.801 119.801 120.128 -0.327 18227 10294 1 30 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.281 0.429 18227 10295 1 30 . 1 1 7 7 PHE C C 7 175.789 175.789 175.571 0.218 18227 10296 1 30 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.590 -0.914 18227 10297 1 30 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.935 0.234 18227 10298 1 30 . 1 1 7 7 PHE H H 7 8.072 8.072 8.346 -0.274 18227 10299 1 30 . 1 1 8 8 ASP N N 8 117.963 117.963 121.992 -4.029 18227 10300 1 30 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.425 0.352 18227 10301 1 30 . 1 1 8 8 ASP C C 8 174.919 174.919 176.833 -1.914 18227 10302 1 30 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.397 -0.816 18227 10303 1 30 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.033 -3.310 18227 10304 1 30 . 1 1 8 8 ASP H H 8 8.184 8.184 8.512 -0.328 18227 10305 1 30 . 1 1 9 9 ASN N N 9 117.736 117.736 118.662 -0.926 18227 10306 1 30 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.482 0.308 18227 10307 1 30 . 1 1 9 9 ASN C C 9 174.974 174.974 175.772 -0.798 18227 10308 1 30 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.548 -0.812 18227 10309 1 30 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.320 0.250 18227 10310 1 30 . 1 1 9 9 ASN H H 9 8.080 8.080 8.457 -0.377 18227 10311 1 30 . 1 1 10 10 TYR N N 10 119.580 119.580 117.845 1.735 18227 10312 1 30 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.169 0.457 18227 10313 1 30 . 1 1 10 10 TYR C C 10 175.935 175.935 175.578 0.357 18227 10314 1 30 . 1 1 10 10 TYR CA C 10 58.779 58.779 60.383 -1.604 18227 10315 1 30 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.200 0.313 18227 10316 1 30 . 1 1 10 10 TYR H H 10 7.869 7.869 8.425 -0.556 18227 10317 1 30 . 1 1 11 11 TYR N N 11 120.254 120.254 123.730 -3.476 18227 10318 1 30 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.093 0.526 18227 10319 1 30 . 1 1 11 11 TYR C C 11 176.666 176.666 175.705 0.961 18227 10320 1 30 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.480 -0.624 18227 10321 1 30 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.458 1.030 18227 10322 1 30 . 1 1 11 11 TYR H H 11 7.906 7.906 8.338 -0.432 18227 10323 1 30 . 1 1 12 12 GLY N N 12 108.226 108.226 111.424 -3.198 18227 10324 1 30 . 1 1 12 12 GLY C C 12 174.314 174.314 173.590 0.724 18227 10325 1 30 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.622 0.158 18227 10326 1 30 . 1 1 12 12 GLY H H 12 7.817 7.817 8.591 -0.774 18227 10327 1 30 . 1 1 13 13 ALA N N 13 122.970 122.970 122.420 0.550 18227 10328 1 30 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.585 -0.115 18227 10329 1 30 . 1 1 13 13 ALA C C 13 178.137 178.137 177.348 0.789 18227 10330 1 30 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.374 0.076 18227 10331 1 30 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.198 -1.515 18227 10332 1 30 . 1 1 13 13 ALA H H 13 7.913 7.913 8.003 -0.090 18227 10333 1 30 . 1 1 14 14 ASP N N 14 116.374 116.374 118.366 -1.992 18227 10334 1 30 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.740 0.135 18227 10335 1 30 . 1 1 14 14 ASP C C 14 175.450 175.450 177.628 -2.178 18227 10336 1 30 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.998 -1.357 18227 10337 1 30 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.211 -3.349 18227 10338 1 30 . 1 1 14 14 ASP H H 14 8.348 8.348 7.709 0.639 18227 10339 1 30 . 1 1 15 15 ASN N N 15 118.423 118.423 119.707 -1.284 18227 10340 1 30 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.081 0.789 18227 10341 1 30 . 1 1 15 15 ASN C C 15 176.054 176.054 175.763 0.291 18227 10342 1 30 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.972 -1.544 18227 10343 1 30 . 1 1 15 15 ASN CB C 15 38.682 38.682 37.947 0.735 18227 10344 1 30 . 1 1 15 15 ASN H H 15 8.272 8.272 8.217 0.055 18227 10345 1 30 . 1 1 16 16 GLN N N 16 120.129 120.129 115.396 4.733 18227 10346 1 30 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.292 0.124 18227 10347 1 30 . 1 1 16 16 GLN C C 16 177.337 177.337 176.206 1.131 18227 10348 1 30 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.123 1.133 18227 10349 1 30 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.154 0.630 18227 10350 1 30 . 1 1 16 16 GLN H H 16 8.481 8.481 8.159 0.322 18227 10351 1 30 . 1 1 17 17 SER N N 17 115.051 115.051 115.496 -0.445 18227 10352 1 30 . 1 1 17 17 SER HA H 17 4.505 4.505 4.325 0.180 18227 10353 1 30 . 1 1 17 17 SER C C 17 175.596 175.596 176.400 -0.804 18227 10354 1 30 . 1 1 17 17 SER CA C 17 60.767 60.767 59.656 1.111 18227 10355 1 30 . 1 1 17 17 SER CB C 17 63.325 63.325 64.533 -1.208 18227 10356 1 30 . 1 1 17 17 SER H H 17 8.380 8.380 8.028 0.352 18227 10357 1 30 . 1 1 18 18 GLU N N 18 120.901 120.901 122.881 -1.980 18227 10358 1 30 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.971 0.488 18227 10359 1 30 . 1 1 18 18 GLU C C 18 177.867 177.867 178.636 -0.769 18227 10360 1 30 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.158 -0.935 18227 10361 1 30 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.361 -1.296 18227 10362 1 30 . 1 1 18 18 GLU H H 18 8.233 8.233 7.963 0.270 18227 10363 1 30 . 1 1 19 19 CYS N N 19 118.899 118.899 115.721 3.178 18227 10364 1 30 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.262 0.214 18227 10365 1 30 . 1 1 19 19 CYS C C 19 175.896 175.896 176.009 -0.113 18227 10366 1 30 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.691 -0.429 18227 10367 1 30 . 1 1 19 19 CYS CB C 19 27.059 27.059 26.724 0.335 18227 10368 1 30 . 1 1 19 19 CYS H H 19 8.245 8.245 7.810 0.435 18227 10369 1 30 . 1 1 20 20 GLU N N 20 120.324 120.324 117.580 2.744 18227 10370 1 30 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.507 -0.180 18227 10371 1 30 . 1 1 20 20 GLU C C 20 177.163 177.163 177.759 -0.596 18227 10372 1 30 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.295 1.077 18227 10373 1 30 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.783 -1.739 18227 10374 1 30 . 1 1 20 20 GLU H H 20 8.299 8.299 8.131 0.168 18227 10375 1 30 . 1 1 21 21 TYR N N 21 118.601 118.601 122.895 -4.294 18227 10376 1 30 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.384 0.221 18227 10377 1 30 . 1 1 21 21 TYR C C 21 177.166 177.166 177.097 0.069 18227 10378 1 30 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.557 -2.151 18227 10379 1 30 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.882 -0.404 18227 10380 1 30 . 1 1 21 21 TYR H H 21 8.165 8.165 8.221 -0.056 18227 10381 1 30 . 1 1 22 22 THR N N 22 112.362 112.362 112.596 -0.234 18227 10382 1 30 . 1 1 22 22 THR HA H 22 4.203 4.203 4.123 0.080 18227 10383 1 30 . 1 1 22 22 THR C C 22 176.226 176.226 175.528 0.698 18227 10384 1 30 . 1 1 22 22 THR CA C 22 64.825 64.825 65.624 -0.798 18227 10385 1 30 . 1 1 22 22 THR CB C 22 69.471 69.471 68.406 1.065 18227 10386 1 30 . 1 1 22 22 THR H H 22 8.063 8.063 8.137 -0.074 18227 10387 1 30 . 1 1 23 23 ASP N N 23 121.414 121.414 121.768 -0.354 18227 10388 1 30 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.644 0.099 18227 10389 1 30 . 1 1 23 23 ASP C C 23 176.664 176.664 177.216 -0.552 18227 10390 1 30 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.991 -1.832 18227 10391 1 30 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.051 -3.576 18227 10392 1 30 . 1 1 23 23 ASP H H 23 8.355 8.355 7.756 0.599 18227 10393 1 30 . 1 1 24 24 TRP N N 24 121.858 121.858 123.406 -1.548 18227 10394 1 30 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.033 0.607 18227 10395 1 30 . 1 1 24 24 TRP C C 24 178.311 178.311 177.634 0.677 18227 10396 1 30 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.363 -1.719 18227 10397 1 30 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.329 -0.586 18227 10398 1 30 . 1 1 24 24 TRP H H 24 8.363 8.363 8.687 -0.324 18227 10399 1 30 . 1 1 25 25 LYS N N 25 120.099 120.099 117.247 2.852 18227 10400 1 30 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.260 1.816 18227 10401 1 30 . 1 1 25 25 LYS C C 25 177.946 177.946 178.078 -0.132 18227 10402 1 30 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.229 -0.095 18227 10403 1 30 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.711 0.559 18227 10404 1 30 . 1 1 25 25 LYS H H 25 8.291 8.291 7.465 0.826 18227 10405 1 30 . 1 1 26 26 SER N N 26 113.558 113.558 112.731 0.827 18227 10406 1 30 . 1 1 26 26 SER HA H 26 4.541 4.541 4.381 0.160 18227 10407 1 30 . 1 1 26 26 SER C C 26 175.212 175.212 175.797 -0.585 18227 10408 1 30 . 1 1 26 26 SER CA C 26 59.813 59.813 60.455 -0.642 18227 10409 1 30 . 1 1 26 26 SER CB C 26 63.672 63.672 64.270 -0.598 18227 10410 1 30 . 1 1 26 26 SER H H 26 8.088 8.088 7.883 0.205 18227 10411 1 30 . 1 1 27 27 SER N N 27 116.456 116.456 118.410 -1.954 18227 10412 1 30 . 1 1 27 27 SER HA H 27 4.534 4.534 4.376 0.158 18227 10413 1 30 . 1 1 27 27 SER C C 27 175.216 175.216 175.630 -0.414 18227 10414 1 30 . 1 1 27 27 SER CA C 27 60.042 60.042 60.335 -0.293 18227 10415 1 30 . 1 1 27 27 SER CB C 27 63.782 63.782 63.098 0.684 18227 10416 1 30 . 1 1 27 27 SER H H 27 8.025 8.025 8.476 -0.451 18227 10417 1 30 . 1 1 28 28 GLY N N 28 108.769 108.769 107.794 0.975 18227 10418 1 30 . 1 1 28 28 GLY C C 28 174.198 174.198 174.129 0.069 18227 10419 1 30 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.541 1.334 18227 10420 1 30 . 1 1 28 28 GLY H H 28 8.051 8.051 7.670 0.381 18227 10421 1 30 . 1 1 29 29 ALA N N 29 121.719 121.719 122.874 -1.155 18227 10422 1 30 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.493 -0.082 18227 10423 1 30 . 1 1 29 29 ALA C C 29 177.554 177.554 176.589 0.965 18227 10424 1 30 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.200 0.885 18227 10425 1 30 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.415 0.360 18227 10426 1 30 . 1 1 29 29 ALA H H 29 7.749 7.749 7.514 0.235 18227 10427 1 30 . 1 1 30 30 LEU N N 30 118.220 118.220 111.571 6.649 18227 10428 1 30 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.509 0.037 18227 10429 1 30 . 1 1 30 30 LEU C C 30 176.978 176.978 177.200 -0.222 18227 10430 1 30 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.038 -0.370 18227 10431 1 30 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.194 0.562 18227 10432 1 30 . 1 1 30 30 LEU H H 30 7.660 7.660 7.514 0.146 18227 10433 1 30 . 1 1 31 31 ILE N N 31 118.934 118.934 121.390 -2.456 18227 10434 1 30 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.258 0.127 18227 10435 1 30 . 1 1 31 31 ILE C C 31 175.025 175.025 175.050 -0.025 18227 10436 1 30 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.784 -2.108 18227 10437 1 30 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.192 2.379 18227 10438 1 30 . 1 1 31 31 ILE H H 31 7.446 7.446 7.578 -0.132 18227 10439 1 30 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.311 0.168 18227 10440 1 30 . 1 1 32 32 PRO C C 32 177.601 177.601 178.307 -0.706 18227 10441 1 30 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.769 -0.449 18227 10442 1 30 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.824 0.411 18227 10443 1 30 . 1 1 33 33 ALA N N 33 118.822 118.822 121.431 -2.609 18227 10444 1 30 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.087 0.280 18227 10445 1 30 . 1 1 33 33 ALA C C 33 179.269 179.269 180.021 -0.752 18227 10446 1 30 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.027 -0.210 18227 10447 1 30 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.254 -0.362 18227 10448 1 30 . 1 1 33 33 ALA H H 33 7.293 7.293 8.192 -0.899 18227 10449 1 30 . 1 1 34 34 ILE N N 34 116.953 116.953 119.196 -2.243 18227 10450 1 30 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.608 0.482 18227 10451 1 30 . 1 1 34 34 ILE C C 34 177.061 177.061 178.146 -1.085 18227 10452 1 30 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.048 -1.063 18227 10453 1 30 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.105 1.014 18227 10454 1 30 . 1 1 34 34 ILE H H 34 7.766 7.766 7.975 -0.209 18227 10455 1 30 . 1 1 35 35 TYR N N 35 118.432 118.432 118.324 0.108 18227 10456 1 30 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.991 0.377 18227 10457 1 30 . 1 1 35 35 TYR C C 35 178.052 178.052 178.738 -0.686 18227 10458 1 30 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.082 -0.960 18227 10459 1 30 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.302 -0.366 18227 10460 1 30 . 1 1 35 35 TYR H H 35 7.988 7.988 7.635 0.353 18227 10461 1 30 . 1 1 36 36 MET N N 36 117.042 117.042 117.371 -0.329 18227 10462 1 30 . 1 1 36 36 MET HA H 36 4.534 4.534 4.285 0.249 18227 10463 1 30 . 1 1 36 36 MET C C 36 177.734 177.734 178.554 -0.820 18227 10464 1 30 . 1 1 36 36 MET CA C 36 58.272 58.272 57.503 0.769 18227 10465 1 30 . 1 1 36 36 MET CB C 36 31.979 31.979 32.213 -0.234 18227 10466 1 30 . 1 1 36 36 MET H H 36 7.934 7.934 8.514 -0.580 18227 10467 1 30 . 1 1 37 37 LEU N N 37 120.539 120.539 120.204 0.335 18227 10468 1 30 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.056 0.287 18227 10469 1 30 . 1 1 37 37 LEU C C 37 178.746 178.746 178.628 0.118 18227 10470 1 30 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.013 0.699 18227 10471 1 30 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.975 0.063 18227 10472 1 30 . 1 1 37 37 LEU H H 37 8.013 8.013 8.209 -0.196 18227 10473 1 30 . 1 1 38 38 VAL N N 38 117.729 117.729 116.931 0.798 18227 10474 1 30 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.937 -0.160 18227 10475 1 30 . 1 1 38 38 VAL C C 38 179.009 179.009 176.857 2.152 18227 10476 1 30 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.415 2.784 18227 10477 1 30 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.773 -1.108 18227 10478 1 30 . 1 1 38 38 VAL H H 38 8.360 8.360 7.957 0.403 18227 10479 1 30 . 1 1 39 39 PHE N N 39 120.549 120.549 121.876 -1.327 18227 10480 1 30 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.765 -0.340 18227 10481 1 30 . 1 1 39 39 PHE C C 39 179.129 179.129 176.204 2.925 18227 10482 1 30 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.361 2.161 18227 10483 1 30 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.797 -1.694 18227 10484 1 30 . 1 1 39 39 PHE H H 39 8.225 8.225 8.364 -0.139 18227 10485 1 30 . 1 1 40 40 LEU N N 40 122.778 122.778 115.979 6.799 18227 10486 1 30 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.635 -0.468 18227 10487 1 30 . 1 1 40 40 LEU C C 40 180.673 180.673 176.321 4.352 18227 10488 1 30 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.752 2.886 18227 10489 1 30 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.093 0.071 18227 10490 1 30 . 1 1 40 40 LEU H H 40 8.874 8.874 8.489 0.385 18227 10491 1 30 . 1 1 41 41 LEU N N 41 122.144 122.144 121.167 0.977 18227 10492 1 30 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.366 -0.130 18227 10493 1 30 . 1 1 41 41 LEU C C 41 180.709 180.709 178.112 2.597 18227 10494 1 30 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.933 1.537 18227 10495 1 30 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.349 -0.571 18227 10496 1 30 . 1 1 41 41 LEU H H 41 9.193 9.193 7.848 1.345 18227 10497 1 30 . 1 1 42 42 GLY N N 42 107.124 107.124 105.739 1.385 18227 10498 1 30 . 1 1 42 42 GLY C C 42 176.537 176.537 174.400 2.137 18227 10499 1 30 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.772 0.961 18227 10500 1 30 . 1 1 42 42 GLY H H 42 8.755 8.755 7.406 1.349 18227 10501 1 30 . 1 1 43 43 THR N N 43 113.411 113.411 111.561 1.850 18227 10502 1 30 . 1 1 43 43 THR HA H 43 4.299 4.299 4.427 -0.128 18227 10503 1 30 . 1 1 43 43 THR C C 43 176.797 176.797 174.086 2.711 18227 10504 1 30 . 1 1 43 43 THR CA C 43 64.990 64.990 61.614 3.376 18227 10505 1 30 . 1 1 43 43 THR CB C 43 69.731 69.731 68.140 1.591 18227 10506 1 30 . 1 1 43 43 THR H H 43 8.179 8.179 7.719 0.460 18227 10507 1 30 . 1 1 44 44 THR N N 44 114.667 114.667 115.508 -0.841 18227 10508 1 30 . 1 1 44 44 THR HA H 44 4.366 4.366 4.428 -0.062 18227 10509 1 30 . 1 1 44 44 THR C C 44 176.375 176.375 175.051 1.324 18227 10510 1 30 . 1 1 44 44 THR CA C 44 64.833 64.833 63.501 1.332 18227 10511 1 30 . 1 1 44 44 THR CB C 44 69.988 69.988 70.823 -0.835 18227 10512 1 30 . 1 1 44 44 THR H H 44 8.026 8.026 7.651 0.375 18227 10513 1 30 . 1 1 45 45 GLY N N 45 109.336 109.336 109.241 0.095 18227 10514 1 30 . 1 1 45 45 GLY C C 45 174.924 174.924 174.908 0.016 18227 10515 1 30 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.074 1.653 18227 10516 1 30 . 1 1 45 45 GLY H H 45 8.261 8.261 8.311 -0.050 18227 10517 1 30 . 1 1 46 46 ASN N N 46 117.547 117.547 119.209 -1.662 18227 10518 1 30 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.792 -0.053 18227 10519 1 30 . 1 1 46 46 ASN C C 46 176.815 176.815 177.024 -0.209 18227 10520 1 30 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.276 0.074 18227 10521 1 30 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.381 -0.888 18227 10522 1 30 . 1 1 46 46 ASN H H 46 8.083 8.083 8.000 0.083 18227 10523 1 30 . 1 1 47 47 GLY N N 47 106.960 106.960 110.111 -3.151 18227 10524 1 30 . 1 1 47 47 GLY C C 47 175.001 175.001 176.608 -1.607 18227 10525 1 30 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.316 -0.328 18227 10526 1 30 . 1 1 47 47 GLY H H 47 8.318 8.318 8.257 0.061 18227 10527 1 30 . 1 1 48 48 LEU N N 48 120.991 120.991 121.331 -0.340 18227 10528 1 30 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.151 0.338 18227 10529 1 30 . 1 1 48 48 LEU C C 48 180.375 180.375 178.501 1.874 18227 10530 1 30 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.656 0.592 18227 10531 1 30 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.765 0.282 18227 10532 1 30 . 1 1 48 48 LEU H H 48 7.999 7.999 8.121 -0.122 18227 10533 1 30 . 1 1 49 49 VAL N N 49 121.040 121.040 118.687 2.353 18227 10534 1 30 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.743 0.090 18227 10535 1 30 . 1 1 49 49 VAL C C 49 178.016 178.016 177.999 0.017 18227 10536 1 30 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.675 0.542 18227 10537 1 30 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.652 0.288 18227 10538 1 30 . 1 1 49 49 VAL H H 49 7.989 7.989 7.480 0.509 18227 10539 1 30 . 1 1 50 50 LEU N N 50 119.986 119.986 119.426 0.560 18227 10540 1 30 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.004 0.193 18227 10541 1 30 . 1 1 50 50 LEU C C 50 178.823 178.823 179.409 -0.586 18227 10542 1 30 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.188 0.502 18227 10543 1 30 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.514 0.151 18227 10544 1 30 . 1 1 50 50 LEU H H 50 7.926 7.926 7.983 -0.057 18227 10545 1 30 . 1 1 51 51 TRP N N 51 117.842 117.842 120.893 -3.051 18227 10546 1 30 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.389 0.298 18227 10547 1 30 . 1 1 51 51 TRP C C 51 178.729 178.729 178.566 0.163 18227 10548 1 30 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.077 -0.697 18227 10549 1 30 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.779 -0.238 18227 10550 1 30 . 1 1 51 51 TRP H H 51 8.525 8.525 8.166 0.359 18227 10551 1 30 . 1 1 52 52 THR N N 52 114.722 114.722 117.718 -2.996 18227 10552 1 30 . 1 1 52 52 THR HA H 52 4.007 4.007 3.614 0.393 18227 10553 1 30 . 1 1 52 52 THR C C 52 176.228 176.228 176.971 -0.743 18227 10554 1 30 . 1 1 52 52 THR CA C 52 67.517 67.517 67.469 0.048 18227 10555 1 30 . 1 1 52 52 THR CB C 52 69.051 69.051 69.032 0.019 18227 10556 1 30 . 1 1 52 52 THR H H 52 8.248 8.248 8.605 -0.357 18227 10557 1 30 . 1 1 53 53 VAL N N 53 123.008 123.008 122.539 0.469 18227 10558 1 30 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.547 0.201 18227 10559 1 30 . 1 1 53 53 VAL C C 53 178.474 178.474 176.759 1.715 18227 10560 1 30 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.894 0.561 18227 10561 1 30 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.804 0.036 18227 10562 1 30 . 1 1 53 53 VAL H H 53 8.634 8.634 8.828 -0.194 18227 10563 1 30 . 1 1 54 54 PHE N N 54 119.554 119.554 117.557 1.997 18227 10564 1 30 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.101 0.309 18227 10565 1 30 . 1 1 54 54 PHE C C 54 179.173 179.173 176.592 2.581 18227 10566 1 30 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.484 -0.397 18227 10567 1 30 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.783 0.007 18227 10568 1 30 . 1 1 54 54 PHE H H 54 8.860 8.860 7.773 1.087 18227 10569 1 30 . 1 1 55 55 ARG N N 55 118.355 118.355 115.867 2.488 18227 10570 1 30 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.265 -0.145 18227 10571 1 30 . 1 1 55 55 ARG C C 55 178.719 178.719 176.033 2.686 18227 10572 1 30 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.747 2.229 18227 10573 1 30 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.498 -0.420 18227 10574 1 30 . 1 1 55 55 ARG H H 55 8.296 8.296 7.534 0.762 18227 10575 1 30 . 1 1 56 56 LYS N N 56 119.698 119.698 117.731 1.967 18227 10576 1 30 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.046 0.247 18227 10577 1 30 . 1 1 56 56 LYS C C 56 178.742 178.742 176.600 2.142 18227 10578 1 30 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.456 1.595 18227 10579 1 30 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.190 -1.419 18227 10580 1 30 . 1 1 56 56 LYS H H 56 8.377 8.377 8.069 0.308 18227 10581 1 30 . 1 1 57 57 LYS N N 57 119.104 119.104 119.029 0.075 18227 10582 1 30 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.379 -0.034 18227 10583 1 30 . 1 1 57 57 LYS C C 57 178.311 178.311 178.375 -0.064 18227 10584 1 30 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.981 0.151 18227 10585 1 30 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.263 -0.573 18227 10586 1 30 . 1 1 57 57 LYS H H 57 8.610 8.610 8.122 0.488 18227 10587 1 30 . 1 1 58 58 GLY N N 58 106.684 106.684 107.616 -0.932 18227 10588 1 30 . 1 1 58 58 GLY C C 58 174.451 174.451 175.387 -0.936 18227 10589 1 30 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.499 -0.586 18227 10590 1 30 . 1 1 58 58 GLY H H 58 8.154 8.154 7.838 0.316 18227 10591 1 30 . 1 1 59 59 HIS N N 59 116.995 116.995 118.850 -1.855 18227 10592 1 30 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.136 0.639 18227 10593 1 30 . 1 1 59 59 HIS C C 59 174.529 174.529 175.740 -1.211 18227 10594 1 30 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.411 -1.271 18227 10595 1 30 . 1 1 59 59 HIS CB C 59 28.627 28.627 28.969 -0.342 18227 10596 1 30 . 1 1 59 59 HIS H H 59 8.106 8.106 8.313 -0.207 18227 10597 1 30 . 1 1 60 60 HIS N N 60 117.887 117.887 117.961 -0.074 18227 10598 1 30 . 1 1 60 60 HIS HA H 60 4.846 4.846 3.652 1.194 18227 10599 1 30 . 1 1 60 60 HIS C C 60 174.247 174.247 175.102 -0.855 18227 10600 1 30 . 1 1 60 60 HIS CA C 60 55.907 55.907 58.263 -2.356 18227 10601 1 30 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.785 -0.736 18227 10602 1 30 . 1 1 60 60 HIS H H 60 8.425 8.425 8.012 0.413 18227 10603 1 30 . 1 1 61 61 HIS N N 61 118.329 118.329 112.823 5.506 18227 10604 1 30 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.743 0.130 18227 10605 1 30 . 1 1 61 61 HIS C C 61 174.139 174.139 174.886 -0.747 18227 10606 1 30 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.823 0.971 18227 10607 1 30 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.410 -2.140 18227 10608 1 30 . 1 1 61 61 HIS H H 61 8.573 8.573 7.670 0.903 18227 10609 1 30 . 1 1 62 62 HIS N N 62 118.968 118.968 117.880 1.088 18227 10610 1 30 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.598 0.277 18227 10611 1 30 . 1 1 62 62 HIS C C 62 173.827 173.827 176.059 -2.232 18227 10612 1 30 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.982 -1.214 18227 10613 1 30 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.758 -1.490 18227 10614 1 30 . 1 1 62 62 HIS H H 62 8.662 8.662 8.720 -0.058 18227 10615 1 30 . 1 1 63 63 HIS N N 63 118.949 118.949 116.237 2.712 18227 10616 1 30 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.602 0.248 18227 10617 1 30 . 1 1 63 63 HIS C C 63 173.433 173.433 174.757 -1.324 18227 10618 1 30 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.109 0.680 18227 10619 1 30 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.162 1.300 18227 10620 1 30 . 1 1 63 63 HIS H H 63 8.518 8.518 8.070 0.448 18227 10621 1 31 . 1 1 2 2 GLU N N 2 122.322 122.322 122.377 -0.055 18227 10622 1 31 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.650 0.028 18227 10623 1 31 . 1 1 2 2 GLU C C 2 175.160 175.160 175.723 -0.563 18227 10624 1 31 . 1 1 2 2 GLU CA C 2 56.093 56.093 55.950 0.142 18227 10625 1 31 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.332 -1.157 18227 10626 1 31 . 1 1 2 2 GLU H H 2 8.641 8.641 8.420 0.221 18227 10627 1 31 . 1 1 3 3 GLU N N 3 121.391 121.391 120.023 1.368 18227 10628 1 31 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.521 0.109 18227 10629 1 31 . 1 1 3 3 GLU C C 3 176.097 176.097 175.632 0.465 18227 10630 1 31 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.062 0.025 18227 10631 1 31 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.661 -1.477 18227 10632 1 31 . 1 1 3 3 GLU H H 3 8.448 8.448 8.413 0.035 18227 10633 1 31 . 1 1 4 4 GLY N N 4 109.002 109.002 108.223 0.779 18227 10634 1 31 . 1 1 4 4 GLY C C 4 174.407 174.407 175.016 -0.609 18227 10635 1 31 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.763 0.682 18227 10636 1 31 . 1 1 4 4 GLY H H 4 8.333 8.333 8.969 -0.636 18227 10637 1 31 . 1 1 5 5 GLY N N 5 107.419 107.419 108.859 -1.440 18227 10638 1 31 . 1 1 5 5 GLY C C 5 173.914 173.914 174.393 -0.479 18227 10639 1 31 . 1 1 5 5 GLY CA C 5 45.490 45.490 46.441 -0.951 18227 10640 1 31 . 1 1 5 5 GLY H H 5 8.120 8.120 8.825 -0.705 18227 10641 1 31 . 1 1 6 6 ASP N N 6 117.918 117.918 120.522 -2.604 18227 10642 1 31 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.607 0.299 18227 10643 1 31 . 1 1 6 6 ASP C C 6 175.114 175.114 175.657 -0.543 18227 10644 1 31 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.309 -1.190 18227 10645 1 31 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.089 -3.130 18227 10646 1 31 . 1 1 6 6 ASP H H 6 8.204 8.204 8.343 -0.139 18227 10647 1 31 . 1 1 7 7 PHE N N 7 119.801 119.801 121.989 -2.188 18227 10648 1 31 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.642 0.068 18227 10649 1 31 . 1 1 7 7 PHE C C 7 175.789 175.789 174.930 0.859 18227 10650 1 31 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.205 0.471 18227 10651 1 31 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.013 0.156 18227 10652 1 31 . 1 1 7 7 PHE H H 7 8.072 8.072 8.346 -0.274 18227 10653 1 31 . 1 1 8 8 ASP N N 8 117.963 117.963 121.668 -3.705 18227 10654 1 31 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.796 -0.019 18227 10655 1 31 . 1 1 8 8 ASP C C 8 174.919 174.919 174.910 0.009 18227 10656 1 31 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.101 0.479 18227 10657 1 31 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.650 -1.927 18227 10658 1 31 . 1 1 8 8 ASP H H 8 8.184 8.184 8.284 -0.100 18227 10659 1 31 . 1 1 9 9 ASN N N 9 117.736 117.736 117.624 0.112 18227 10660 1 31 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.323 0.467 18227 10661 1 31 . 1 1 9 9 ASN C C 9 174.974 174.974 175.597 -0.623 18227 10662 1 31 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.986 -0.250 18227 10663 1 31 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.613 -0.043 18227 10664 1 31 . 1 1 9 9 ASN H H 9 8.080 8.080 7.488 0.592 18227 10665 1 31 . 1 1 10 10 TYR N N 10 119.580 119.580 117.895 1.685 18227 10666 1 31 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.240 0.386 18227 10667 1 31 . 1 1 10 10 TYR C C 10 175.935 175.935 175.241 0.694 18227 10668 1 31 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.599 -0.820 18227 10669 1 31 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.544 -0.030 18227 10670 1 31 . 1 1 10 10 TYR H H 10 7.869 7.869 8.440 -0.571 18227 10671 1 31 . 1 1 11 11 TYR N N 11 120.254 120.254 119.985 0.269 18227 10672 1 31 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.131 0.488 18227 10673 1 31 . 1 1 11 11 TYR C C 11 176.666 176.666 175.275 1.391 18227 10674 1 31 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.210 -0.354 18227 10675 1 31 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.946 1.542 18227 10676 1 31 . 1 1 11 11 TYR H H 11 7.906 7.906 8.185 -0.279 18227 10677 1 31 . 1 1 12 12 GLY N N 12 108.226 108.226 103.817 4.409 18227 10678 1 31 . 1 1 12 12 GLY C C 12 174.314 174.314 173.034 1.280 18227 10679 1 31 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.058 0.722 18227 10680 1 31 . 1 1 12 12 GLY H H 12 7.817 7.817 7.913 -0.096 18227 10681 1 31 . 1 1 13 13 ALA N N 13 122.970 122.970 121.776 1.194 18227 10682 1 31 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.465 0.005 18227 10683 1 31 . 1 1 13 13 ALA C C 13 178.137 178.137 176.785 1.352 18227 10684 1 31 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.414 1.036 18227 10685 1 31 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.774 -1.091 18227 10686 1 31 . 1 1 13 13 ALA H H 13 7.913 7.913 7.734 0.179 18227 10687 1 31 . 1 1 14 14 ASP N N 14 116.374 116.374 119.108 -2.734 18227 10688 1 31 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.641 0.234 18227 10689 1 31 . 1 1 14 14 ASP C C 14 175.450 175.450 177.608 -2.158 18227 10690 1 31 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.399 -1.759 18227 10691 1 31 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.228 -2.366 18227 10692 1 31 . 1 1 14 14 ASP H H 14 8.348 8.348 8.396 -0.048 18227 10693 1 31 . 1 1 15 15 ASN N N 15 118.423 118.423 117.438 0.985 18227 10694 1 31 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.575 0.295 18227 10695 1 31 . 1 1 15 15 ASN C C 15 176.054 176.054 176.633 -0.579 18227 10696 1 31 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.919 -1.491 18227 10697 1 31 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.461 0.221 18227 10698 1 31 . 1 1 15 15 ASN H H 15 8.272 8.272 8.566 -0.294 18227 10699 1 31 . 1 1 16 16 GLN N N 16 120.129 120.129 115.561 4.568 18227 10700 1 31 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.255 0.161 18227 10701 1 31 . 1 1 16 16 GLN C C 16 177.337 177.337 177.172 0.165 18227 10702 1 31 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.807 0.449 18227 10703 1 31 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.615 0.169 18227 10704 1 31 . 1 1 16 16 GLN H H 16 8.481 8.481 8.194 0.287 18227 10705 1 31 . 1 1 17 17 SER N N 17 115.051 115.051 116.830 -1.779 18227 10706 1 31 . 1 1 17 17 SER HA H 17 4.505 4.505 4.203 0.302 18227 10707 1 31 . 1 1 17 17 SER C C 17 175.596 175.596 176.864 -1.268 18227 10708 1 31 . 1 1 17 17 SER CA C 17 60.767 60.767 60.882 -0.115 18227 10709 1 31 . 1 1 17 17 SER CB C 17 63.325 63.325 63.096 0.229 18227 10710 1 31 . 1 1 17 17 SER H H 17 8.380 8.380 7.726 0.654 18227 10711 1 31 . 1 1 18 18 GLU N N 18 120.901 120.901 121.927 -1.026 18227 10712 1 31 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.054 0.405 18227 10713 1 31 . 1 1 18 18 GLU C C 18 177.867 177.867 178.235 -0.368 18227 10714 1 31 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.228 -1.005 18227 10715 1 31 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.866 -0.801 18227 10716 1 31 . 1 1 18 18 GLU H H 18 8.233 8.233 8.743 -0.510 18227 10717 1 31 . 1 1 19 19 CYS N N 19 118.899 118.899 116.969 1.930 18227 10718 1 31 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.321 0.155 18227 10719 1 31 . 1 1 19 19 CYS C C 19 175.896 175.896 176.252 -0.356 18227 10720 1 31 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.086 0.176 18227 10721 1 31 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.486 -0.427 18227 10722 1 31 . 1 1 19 19 CYS H H 19 8.245 8.245 8.190 0.055 18227 10723 1 31 . 1 1 20 20 GLU N N 20 120.324 120.324 118.987 1.337 18227 10724 1 31 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.364 -0.037 18227 10725 1 31 . 1 1 20 20 GLU C C 20 177.163 177.163 178.116 -0.953 18227 10726 1 31 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.622 0.750 18227 10727 1 31 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.972 -1.928 18227 10728 1 31 . 1 1 20 20 GLU H H 20 8.299 8.299 8.486 -0.187 18227 10729 1 31 . 1 1 21 21 TYR N N 21 118.601 118.601 122.518 -3.917 18227 10730 1 31 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.404 0.201 18227 10731 1 31 . 1 1 21 21 TYR C C 21 177.166 177.166 177.095 0.071 18227 10732 1 31 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.305 -1.899 18227 10733 1 31 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.712 -0.235 18227 10734 1 31 . 1 1 21 21 TYR H H 21 8.165 8.165 8.268 -0.103 18227 10735 1 31 . 1 1 22 22 THR N N 22 112.362 112.362 110.691 1.671 18227 10736 1 31 . 1 1 22 22 THR HA H 22 4.203 4.203 4.077 0.126 18227 10737 1 31 . 1 1 22 22 THR C C 22 176.226 176.226 175.081 1.145 18227 10738 1 31 . 1 1 22 22 THR CA C 22 64.825 64.825 64.905 -0.080 18227 10739 1 31 . 1 1 22 22 THR CB C 22 69.471 69.471 68.588 0.883 18227 10740 1 31 . 1 1 22 22 THR H H 22 8.063 8.063 7.965 0.098 18227 10741 1 31 . 1 1 23 23 ASP N N 23 121.414 121.414 120.625 0.789 18227 10742 1 31 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.687 0.056 18227 10743 1 31 . 1 1 23 23 ASP C C 23 176.664 176.664 177.728 -1.064 18227 10744 1 31 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.003 -1.844 18227 10745 1 31 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.596 -4.121 18227 10746 1 31 . 1 1 23 23 ASP H H 23 8.355 8.355 7.269 1.086 18227 10747 1 31 . 1 1 24 24 TRP N N 24 121.858 121.858 123.298 -1.440 18227 10748 1 31 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.038 0.602 18227 10749 1 31 . 1 1 24 24 TRP C C 24 178.311 178.311 177.563 0.748 18227 10750 1 31 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.288 -1.644 18227 10751 1 31 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.224 -0.481 18227 10752 1 31 . 1 1 24 24 TRP H H 24 8.363 8.363 8.862 -0.499 18227 10753 1 31 . 1 1 25 25 LYS N N 25 120.099 120.099 117.188 2.911 18227 10754 1 31 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.847 1.229 18227 10755 1 31 . 1 1 25 25 LYS C C 25 177.946 177.946 178.099 -0.153 18227 10756 1 31 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.587 -0.453 18227 10757 1 31 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.673 0.597 18227 10758 1 31 . 1 1 25 25 LYS H H 25 8.291 8.291 7.421 0.870 18227 10759 1 31 . 1 1 26 26 SER N N 26 113.558 113.558 113.803 -0.245 18227 10760 1 31 . 1 1 26 26 SER HA H 26 4.541 4.541 4.356 0.185 18227 10761 1 31 . 1 1 26 26 SER C C 26 175.212 175.212 176.522 -1.310 18227 10762 1 31 . 1 1 26 26 SER CA C 26 59.813 59.813 60.177 -0.364 18227 10763 1 31 . 1 1 26 26 SER CB C 26 63.672 63.672 63.951 -0.279 18227 10764 1 31 . 1 1 26 26 SER H H 26 8.088 8.088 8.039 0.049 18227 10765 1 31 . 1 1 27 27 SER N N 27 116.456 116.456 118.841 -2.385 18227 10766 1 31 . 1 1 27 27 SER HA H 27 4.534 4.534 4.293 0.241 18227 10767 1 31 . 1 1 27 27 SER C C 27 175.216 175.216 176.679 -1.463 18227 10768 1 31 . 1 1 27 27 SER CA C 27 60.042 60.042 61.268 -1.226 18227 10769 1 31 . 1 1 27 27 SER CB C 27 63.782 63.782 63.151 0.631 18227 10770 1 31 . 1 1 27 27 SER H H 27 8.025 8.025 8.673 -0.648 18227 10771 1 31 . 1 1 28 28 GLY N N 28 108.769 108.769 107.737 1.032 18227 10772 1 31 . 1 1 28 28 GLY C C 28 174.198 174.198 173.961 0.237 18227 10773 1 31 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.967 0.908 18227 10774 1 31 . 1 1 28 28 GLY H H 28 8.051 8.051 8.184 -0.133 18227 10775 1 31 . 1 1 29 29 ALA N N 29 121.719 121.719 122.709 -0.990 18227 10776 1 31 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.446 -0.035 18227 10777 1 31 . 1 1 29 29 ALA C C 29 177.554 177.554 177.435 0.119 18227 10778 1 31 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.946 0.139 18227 10779 1 31 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.148 -0.374 18227 10780 1 31 . 1 1 29 29 ALA H H 29 7.749 7.749 7.644 0.105 18227 10781 1 31 . 1 1 30 30 LEU N N 30 118.220 118.220 112.813 5.407 18227 10782 1 31 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.742 -0.196 18227 10783 1 31 . 1 1 30 30 LEU C C 30 176.978 176.978 177.310 -0.332 18227 10784 1 31 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.646 0.021 18227 10785 1 31 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.099 -0.343 18227 10786 1 31 . 1 1 30 30 LEU H H 30 7.660 7.660 7.358 0.302 18227 10787 1 31 . 1 1 31 31 ILE N N 31 118.934 118.934 122.555 -3.621 18227 10788 1 31 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.194 0.191 18227 10789 1 31 . 1 1 31 31 ILE C C 31 175.025 175.025 174.733 0.292 18227 10790 1 31 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.008 -3.332 18227 10791 1 31 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.071 1.500 18227 10792 1 31 . 1 1 31 31 ILE H H 31 7.446 7.446 7.506 -0.060 18227 10793 1 31 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.238 0.241 18227 10794 1 31 . 1 1 32 32 PRO C C 32 177.601 177.601 177.979 -0.378 18227 10795 1 31 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.889 -0.569 18227 10796 1 31 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.783 0.452 18227 10797 1 31 . 1 1 33 33 ALA N N 33 118.822 118.822 121.761 -2.939 18227 10798 1 31 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.116 0.251 18227 10799 1 31 . 1 1 33 33 ALA C C 33 179.269 179.269 179.691 -0.422 18227 10800 1 31 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.131 -0.314 18227 10801 1 31 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.361 -0.469 18227 10802 1 31 . 1 1 33 33 ALA H H 33 7.293 7.293 7.680 -0.387 18227 10803 1 31 . 1 1 34 34 ILE N N 34 116.953 116.953 119.096 -2.143 18227 10804 1 31 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.683 0.407 18227 10805 1 31 . 1 1 34 34 ILE C C 34 177.061 177.061 178.424 -1.363 18227 10806 1 31 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.895 -0.910 18227 10807 1 31 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.129 0.990 18227 10808 1 31 . 1 1 34 34 ILE H H 34 7.766 7.766 8.036 -0.270 18227 10809 1 31 . 1 1 35 35 TYR N N 35 118.432 118.432 119.427 -0.995 18227 10810 1 31 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.075 0.293 18227 10811 1 31 . 1 1 35 35 TYR C C 35 178.052 178.052 178.592 -0.540 18227 10812 1 31 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.493 -1.371 18227 10813 1 31 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.358 -0.422 18227 10814 1 31 . 1 1 35 35 TYR H H 35 7.988 7.988 7.823 0.165 18227 10815 1 31 . 1 1 36 36 MET N N 36 117.042 117.042 118.096 -1.054 18227 10816 1 31 . 1 1 36 36 MET HA H 36 4.534 4.534 4.197 0.337 18227 10817 1 31 . 1 1 36 36 MET C C 36 177.734 177.734 178.776 -1.042 18227 10818 1 31 . 1 1 36 36 MET CA C 36 58.272 58.272 57.743 0.529 18227 10819 1 31 . 1 1 36 36 MET CB C 36 31.979 31.979 32.126 -0.146 18227 10820 1 31 . 1 1 36 36 MET H H 36 7.934 7.934 8.577 -0.643 18227 10821 1 31 . 1 1 37 37 LEU N N 37 120.539 120.539 120.187 0.352 18227 10822 1 31 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.054 0.289 18227 10823 1 31 . 1 1 37 37 LEU C C 37 178.746 178.746 178.442 0.304 18227 10824 1 31 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.107 0.605 18227 10825 1 31 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.088 -0.050 18227 10826 1 31 . 1 1 37 37 LEU H H 37 8.013 8.013 8.439 -0.426 18227 10827 1 31 . 1 1 38 38 VAL N N 38 117.729 117.729 116.845 0.884 18227 10828 1 31 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.882 -0.105 18227 10829 1 31 . 1 1 38 38 VAL C C 38 179.009 179.009 176.915 2.094 18227 10830 1 31 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.574 2.625 18227 10831 1 31 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.377 -0.712 18227 10832 1 31 . 1 1 38 38 VAL H H 38 8.360 8.360 7.795 0.565 18227 10833 1 31 . 1 1 39 39 PHE N N 39 120.549 120.549 122.833 -2.284 18227 10834 1 31 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.484 -0.059 18227 10835 1 31 . 1 1 39 39 PHE C C 39 179.129 179.129 177.070 2.059 18227 10836 1 31 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.242 0.280 18227 10837 1 31 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.514 -1.411 18227 10838 1 31 . 1 1 39 39 PHE H H 39 8.225 8.225 7.948 0.277 18227 10839 1 31 . 1 1 40 40 LEU N N 40 122.778 122.778 116.260 6.518 18227 10840 1 31 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.350 -0.183 18227 10841 1 31 . 1 1 40 40 LEU C C 40 180.673 180.673 177.180 3.493 18227 10842 1 31 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.118 1.520 18227 10843 1 31 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.167 0.997 18227 10844 1 31 . 1 1 40 40 LEU H H 40 8.874 8.874 8.437 0.437 18227 10845 1 31 . 1 1 41 41 LEU N N 41 122.144 122.144 119.730 2.414 18227 10846 1 31 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.354 -0.118 18227 10847 1 31 . 1 1 41 41 LEU C C 41 180.709 180.709 178.262 2.447 18227 10848 1 31 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.486 1.984 18227 10849 1 31 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.412 -0.634 18227 10850 1 31 . 1 1 41 41 LEU H H 41 9.193 9.193 7.530 1.663 18227 10851 1 31 . 1 1 42 42 GLY N N 42 107.124 107.124 103.998 3.126 18227 10852 1 31 . 1 1 42 42 GLY C C 42 176.537 176.537 174.605 1.932 18227 10853 1 31 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.849 0.884 18227 10854 1 31 . 1 1 42 42 GLY H H 42 8.755 8.755 7.753 1.002 18227 10855 1 31 . 1 1 43 43 THR N N 43 113.411 113.411 114.708 -1.297 18227 10856 1 31 . 1 1 43 43 THR HA H 43 4.299 4.299 4.495 -0.196 18227 10857 1 31 . 1 1 43 43 THR C C 43 176.797 176.797 173.958 2.839 18227 10858 1 31 . 1 1 43 43 THR CA C 43 64.990 64.990 61.000 3.990 18227 10859 1 31 . 1 1 43 43 THR CB C 43 69.731 69.731 68.824 0.907 18227 10860 1 31 . 1 1 43 43 THR H H 43 8.179 8.179 7.591 0.588 18227 10861 1 31 . 1 1 44 44 THR N N 44 114.667 114.667 116.875 -2.208 18227 10862 1 31 . 1 1 44 44 THR HA H 44 4.366 4.366 4.547 -0.181 18227 10863 1 31 . 1 1 44 44 THR C C 44 176.375 176.375 175.268 1.107 18227 10864 1 31 . 1 1 44 44 THR CA C 44 64.833 64.833 64.557 0.276 18227 10865 1 31 . 1 1 44 44 THR CB C 44 69.988 69.988 70.891 -0.903 18227 10866 1 31 . 1 1 44 44 THR H H 44 8.026 8.026 7.716 0.310 18227 10867 1 31 . 1 1 45 45 GLY N N 45 109.336 109.336 109.517 -0.181 18227 10868 1 31 . 1 1 45 45 GLY C C 45 174.924 174.924 174.782 0.142 18227 10869 1 31 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.288 1.438 18227 10870 1 31 . 1 1 45 45 GLY H H 45 8.261 8.261 8.193 0.068 18227 10871 1 31 . 1 1 46 46 ASN N N 46 117.547 117.547 119.219 -1.672 18227 10872 1 31 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.542 0.197 18227 10873 1 31 . 1 1 46 46 ASN C C 46 176.815 176.815 177.173 -0.358 18227 10874 1 31 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.255 0.094 18227 10875 1 31 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.821 0.672 18227 10876 1 31 . 1 1 46 46 ASN H H 46 8.083 8.083 7.916 0.167 18227 10877 1 31 . 1 1 47 47 GLY N N 47 106.960 106.960 108.715 -1.755 18227 10878 1 31 . 1 1 47 47 GLY C C 47 175.001 175.001 176.084 -1.083 18227 10879 1 31 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.819 0.168 18227 10880 1 31 . 1 1 47 47 GLY H H 47 8.318 8.318 8.406 -0.088 18227 10881 1 31 . 1 1 48 48 LEU N N 48 120.991 120.991 121.952 -0.961 18227 10882 1 31 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.131 0.358 18227 10883 1 31 . 1 1 48 48 LEU C C 48 180.375 180.375 178.542 1.833 18227 10884 1 31 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.445 0.803 18227 10885 1 31 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.998 0.049 18227 10886 1 31 . 1 1 48 48 LEU H H 48 7.999 7.999 7.660 0.339 18227 10887 1 31 . 1 1 49 49 VAL N N 49 121.040 121.040 119.324 1.716 18227 10888 1 31 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.689 0.144 18227 10889 1 31 . 1 1 49 49 VAL C C 49 178.016 178.016 178.069 -0.053 18227 10890 1 31 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.949 0.268 18227 10891 1 31 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.399 0.541 18227 10892 1 31 . 1 1 49 49 VAL H H 49 7.989 7.989 7.475 0.514 18227 10893 1 31 . 1 1 50 50 LEU N N 50 119.986 119.986 119.168 0.818 18227 10894 1 31 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.971 0.226 18227 10895 1 31 . 1 1 50 50 LEU C C 50 178.823 178.823 179.453 -0.630 18227 10896 1 31 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.949 0.741 18227 10897 1 31 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.267 0.399 18227 10898 1 31 . 1 1 50 50 LEU H H 50 7.926 7.926 8.202 -0.276 18227 10899 1 31 . 1 1 51 51 TRP N N 51 117.842 117.842 120.497 -2.655 18227 10900 1 31 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.290 0.397 18227 10901 1 31 . 1 1 51 51 TRP C C 51 178.729 178.729 178.864 -0.135 18227 10902 1 31 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.029 -0.649 18227 10903 1 31 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.525 0.016 18227 10904 1 31 . 1 1 51 51 TRP H H 51 8.525 8.525 8.186 0.339 18227 10905 1 31 . 1 1 52 52 THR N N 52 114.722 114.722 117.829 -3.107 18227 10906 1 31 . 1 1 52 52 THR HA H 52 4.007 4.007 3.458 0.549 18227 10907 1 31 . 1 1 52 52 THR C C 52 176.228 176.228 176.589 -0.361 18227 10908 1 31 . 1 1 52 52 THR CA C 52 67.517 67.517 67.469 0.048 18227 10909 1 31 . 1 1 52 52 THR CB C 52 69.051 69.051 68.686 0.365 18227 10910 1 31 . 1 1 52 52 THR H H 52 8.248 8.248 8.717 -0.469 18227 10911 1 31 . 1 1 53 53 VAL N N 53 123.008 123.008 121.358 1.650 18227 10912 1 31 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.631 0.117 18227 10913 1 31 . 1 1 53 53 VAL C C 53 178.474 178.474 177.619 0.855 18227 10914 1 31 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.725 0.730 18227 10915 1 31 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.191 0.649 18227 10916 1 31 . 1 1 53 53 VAL H H 53 8.634 8.634 8.764 -0.130 18227 10917 1 31 . 1 1 54 54 PHE N N 54 119.554 119.554 118.427 1.127 18227 10918 1 31 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.065 0.345 18227 10919 1 31 . 1 1 54 54 PHE C C 54 179.173 179.173 176.797 2.376 18227 10920 1 31 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.882 -0.795 18227 10921 1 31 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.645 0.145 18227 10922 1 31 . 1 1 54 54 PHE H H 54 8.860 8.860 7.750 1.110 18227 10923 1 31 . 1 1 55 55 ARG N N 55 118.355 118.355 116.929 1.426 18227 10924 1 31 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.971 0.149 18227 10925 1 31 . 1 1 55 55 ARG C C 55 178.719 178.719 178.466 0.253 18227 10926 1 31 . 1 1 55 55 ARG CA C 55 58.976 58.976 55.695 3.281 18227 10927 1 31 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.340 0.738 18227 10928 1 31 . 1 1 55 55 ARG H H 55 8.296 8.296 7.992 0.304 18227 10929 1 31 . 1 1 56 56 LYS N N 56 119.698 119.698 122.354 -2.656 18227 10930 1 31 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.193 0.100 18227 10931 1 31 . 1 1 56 56 LYS C C 56 178.742 178.742 178.472 0.270 18227 10932 1 31 . 1 1 56 56 LYS CA C 56 59.051 59.051 59.323 -0.272 18227 10933 1 31 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.313 0.458 18227 10934 1 31 . 1 1 56 56 LYS H H 56 8.377 8.377 8.242 0.135 18227 10935 1 31 . 1 1 57 57 LYS N N 57 119.104 119.104 116.232 2.872 18227 10936 1 31 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.332 0.013 18227 10937 1 31 . 1 1 57 57 LYS C C 57 178.311 178.311 179.326 -1.015 18227 10938 1 31 . 1 1 57 57 LYS CA C 57 58.132 58.132 58.237 -0.105 18227 10939 1 31 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.813 -0.123 18227 10940 1 31 . 1 1 57 57 LYS H H 57 8.610 8.610 8.107 0.503 18227 10941 1 31 . 1 1 58 58 GLY N N 58 106.684 106.684 108.108 -1.424 18227 10942 1 31 . 1 1 58 58 GLY C C 58 174.451 174.451 175.878 -1.427 18227 10943 1 31 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.595 -0.682 18227 10944 1 31 . 1 1 58 58 GLY H H 58 8.154 8.154 7.627 0.527 18227 10945 1 31 . 1 1 59 59 HIS N N 59 116.995 116.995 121.974 -4.979 18227 10946 1 31 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.246 0.529 18227 10947 1 31 . 1 1 59 59 HIS C C 59 174.529 174.529 177.151 -2.622 18227 10948 1 31 . 1 1 59 59 HIS CA C 59 56.140 56.140 59.146 -3.006 18227 10949 1 31 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.669 -1.042 18227 10950 1 31 . 1 1 59 59 HIS H H 59 8.106 8.106 8.146 -0.040 18227 10951 1 31 . 1 1 60 60 HIS N N 60 117.887 117.887 118.286 -0.399 18227 10952 1 31 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.284 0.562 18227 10953 1 31 . 1 1 60 60 HIS C C 60 174.247 174.247 176.503 -2.256 18227 10954 1 31 . 1 1 60 60 HIS CA C 60 55.907 55.907 58.538 -2.631 18227 10955 1 31 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.704 -0.654 18227 10956 1 31 . 1 1 60 60 HIS H H 60 8.425 8.425 7.619 0.806 18227 10957 1 31 . 1 1 61 61 HIS N N 61 118.329 118.329 116.509 1.820 18227 10958 1 31 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.621 0.252 18227 10959 1 31 . 1 1 61 61 HIS C C 61 174.139 174.139 175.322 -1.183 18227 10960 1 31 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.568 -0.774 18227 10961 1 31 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.375 -1.105 18227 10962 1 31 . 1 1 61 61 HIS H H 61 8.573 8.573 8.480 0.093 18227 10963 1 31 . 1 1 62 62 HIS N N 62 118.968 118.968 117.576 1.392 18227 10964 1 31 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.286 0.589 18227 10965 1 31 . 1 1 62 62 HIS C C 62 173.827 173.827 177.265 -3.438 18227 10966 1 31 . 1 1 62 62 HIS CA C 62 55.768 55.768 59.807 -4.039 18227 10967 1 31 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.459 0.809 18227 10968 1 31 . 1 1 62 62 HIS H H 62 8.662 8.662 8.607 0.055 18227 10969 1 31 . 1 1 63 63 HIS N N 63 118.949 118.949 121.666 -2.717 18227 10970 1 31 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.819 0.031 18227 10971 1 31 . 1 1 63 63 HIS C C 63 173.433 173.433 175.112 -1.679 18227 10972 1 31 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.224 1.565 18227 10973 1 31 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.822 1.641 18227 10974 1 31 . 1 1 63 63 HIS H H 63 8.518 8.518 8.990 -0.472 18227 10975 1 32 . 1 1 2 2 GLU N N 2 122.322 122.322 119.242 3.080 18227 10976 1 32 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.048 0.630 18227 10977 1 32 . 1 1 2 2 GLU C C 2 175.160 175.160 175.960 -0.800 18227 10978 1 32 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.335 -1.242 18227 10979 1 32 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.828 -0.653 18227 10980 1 32 . 1 1 2 2 GLU H H 2 8.641 8.641 8.381 0.260 18227 10981 1 32 . 1 1 3 3 GLU N N 3 121.391 121.391 119.774 1.617 18227 10982 1 32 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.184 0.446 18227 10983 1 32 . 1 1 3 3 GLU C C 3 176.097 176.097 177.635 -1.538 18227 10984 1 32 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.358 -0.271 18227 10985 1 32 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.024 -0.840 18227 10986 1 32 . 1 1 3 3 GLU H H 3 8.448 8.448 8.328 0.120 18227 10987 1 32 . 1 1 4 4 GLY N N 4 109.002 109.002 109.489 -0.487 18227 10988 1 32 . 1 1 4 4 GLY C C 4 174.407 174.407 173.534 0.873 18227 10989 1 32 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.898 0.547 18227 10990 1 32 . 1 1 4 4 GLY H H 4 8.333 8.333 8.703 -0.370 18227 10991 1 32 . 1 1 5 5 GLY N N 5 107.419 107.419 108.157 -0.738 18227 10992 1 32 . 1 1 5 5 GLY C C 5 173.914 173.914 172.407 1.507 18227 10993 1 32 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.561 -0.071 18227 10994 1 32 . 1 1 5 5 GLY H H 5 8.120 8.120 7.595 0.525 18227 10995 1 32 . 1 1 6 6 ASP N N 6 117.918 117.918 119.744 -1.826 18227 10996 1 32 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.855 0.051 18227 10997 1 32 . 1 1 6 6 ASP C C 6 175.114 175.114 175.919 -0.805 18227 10998 1 32 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.421 -0.302 18227 10999 1 32 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.776 -2.817 18227 11000 1 32 . 1 1 6 6 ASP H H 6 8.204 8.204 8.338 -0.134 18227 11001 1 32 . 1 1 7 7 PHE N N 7 119.801 119.801 119.862 -0.061 18227 11002 1 32 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.126 0.584 18227 11003 1 32 . 1 1 7 7 PHE C C 7 175.789 175.789 174.924 0.865 18227 11004 1 32 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.398 -0.723 18227 11005 1 32 . 1 1 7 7 PHE CB C 7 39.169 39.169 38.865 0.304 18227 11006 1 32 . 1 1 7 7 PHE H H 7 8.072 8.072 7.832 0.240 18227 11007 1 32 . 1 1 8 8 ASP N N 8 117.963 117.963 120.699 -2.736 18227 11008 1 32 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.679 0.098 18227 11009 1 32 . 1 1 8 8 ASP C C 8 174.919 174.919 175.771 -0.852 18227 11010 1 32 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.286 -1.706 18227 11011 1 32 . 1 1 8 8 ASP CB C 8 37.723 37.723 40.897 -3.174 18227 11012 1 32 . 1 1 8 8 ASP H H 8 8.184 8.184 8.796 -0.612 18227 11013 1 32 . 1 1 9 9 ASN N N 9 117.736 117.736 116.872 0.864 18227 11014 1 32 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.342 0.448 18227 11015 1 32 . 1 1 9 9 ASN C C 9 174.974 174.974 174.075 0.899 18227 11016 1 32 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.378 -0.642 18227 11017 1 32 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.135 0.435 18227 11018 1 32 . 1 1 9 9 ASN H H 9 8.080 8.080 7.977 0.103 18227 11019 1 32 . 1 1 10 10 TYR N N 10 119.580 119.580 119.340 0.240 18227 11020 1 32 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.121 0.505 18227 11021 1 32 . 1 1 10 10 TYR C C 10 175.935 175.935 174.530 1.405 18227 11022 1 32 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.554 -0.775 18227 11023 1 32 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.263 1.251 18227 11024 1 32 . 1 1 10 10 TYR H H 10 7.869 7.869 8.426 -0.557 18227 11025 1 32 . 1 1 11 11 TYR N N 11 120.254 120.254 121.729 -1.475 18227 11026 1 32 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.033 0.586 18227 11027 1 32 . 1 1 11 11 TYR C C 11 176.666 176.666 174.445 2.221 18227 11028 1 32 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.644 0.212 18227 11029 1 32 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.791 1.696 18227 11030 1 32 . 1 1 11 11 TYR H H 11 7.906 7.906 8.171 -0.265 18227 11031 1 32 . 1 1 12 12 GLY N N 12 108.226 108.226 104.091 4.135 18227 11032 1 32 . 1 1 12 12 GLY C C 12 174.314 174.314 173.275 1.039 18227 11033 1 32 . 1 1 12 12 GLY CA C 12 45.780 45.780 46.646 -0.866 18227 11034 1 32 . 1 1 12 12 GLY H H 12 7.817 7.817 7.817 -0.000 18227 11035 1 32 . 1 1 13 13 ALA N N 13 122.970 122.970 122.499 0.471 18227 11036 1 32 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.146 0.324 18227 11037 1 32 . 1 1 13 13 ALA C C 13 178.137 178.137 177.136 1.001 18227 11038 1 32 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.198 0.252 18227 11039 1 32 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.385 -0.702 18227 11040 1 32 . 1 1 13 13 ALA H H 13 7.913 7.913 8.144 -0.231 18227 11041 1 32 . 1 1 14 14 ASP N N 14 116.374 116.374 115.887 0.487 18227 11042 1 32 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.562 0.313 18227 11043 1 32 . 1 1 14 14 ASP C C 14 175.450 175.450 176.729 -1.279 18227 11044 1 32 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.032 -0.392 18227 11045 1 32 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.816 -2.954 18227 11046 1 32 . 1 1 14 14 ASP H H 14 8.348 8.348 8.154 0.194 18227 11047 1 32 . 1 1 15 15 ASN N N 15 118.423 118.423 118.154 0.269 18227 11048 1 32 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.219 0.651 18227 11049 1 32 . 1 1 15 15 ASN C C 15 176.054 176.054 175.616 0.438 18227 11050 1 32 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.222 -0.794 18227 11051 1 32 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.252 0.430 18227 11052 1 32 . 1 1 15 15 ASN H H 15 8.272 8.272 8.274 -0.002 18227 11053 1 32 . 1 1 16 16 GLN N N 16 120.129 120.129 113.733 6.396 18227 11054 1 32 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.221 0.195 18227 11055 1 32 . 1 1 16 16 GLN C C 16 177.337 177.337 176.471 0.866 18227 11056 1 32 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.146 1.110 18227 11057 1 32 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.740 0.044 18227 11058 1 32 . 1 1 16 16 GLN H H 16 8.481 8.481 7.939 0.542 18227 11059 1 32 . 1 1 17 17 SER N N 17 115.051 115.051 116.878 -1.827 18227 11060 1 32 . 1 1 17 17 SER HA H 17 4.505 4.505 4.505 -0.000 18227 11061 1 32 . 1 1 17 17 SER C C 17 175.596 175.596 175.961 -0.365 18227 11062 1 32 . 1 1 17 17 SER CA C 17 60.767 60.767 60.109 0.658 18227 11063 1 32 . 1 1 17 17 SER CB C 17 63.325 63.325 64.282 -0.957 18227 11064 1 32 . 1 1 17 17 SER H H 17 8.380 8.380 8.194 0.186 18227 11065 1 32 . 1 1 18 18 GLU N N 18 120.901 120.901 121.844 -0.943 18227 11066 1 32 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.016 0.443 18227 11067 1 32 . 1 1 18 18 GLU C C 18 177.867 177.867 178.461 -0.594 18227 11068 1 32 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.328 -1.105 18227 11069 1 32 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.214 -1.149 18227 11070 1 32 . 1 1 18 18 GLU H H 18 8.233 8.233 7.986 0.247 18227 11071 1 32 . 1 1 19 19 CYS N N 19 118.899 118.899 115.498 3.401 18227 11072 1 32 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.329 0.147 18227 11073 1 32 . 1 1 19 19 CYS C C 19 175.896 175.896 176.697 -0.801 18227 11074 1 32 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.401 -0.139 18227 11075 1 32 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.158 -1.099 18227 11076 1 32 . 1 1 19 19 CYS H H 19 8.245 8.245 8.298 -0.053 18227 11077 1 32 . 1 1 20 20 GLU N N 20 120.324 120.324 120.683 -0.359 18227 11078 1 32 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.305 0.022 18227 11079 1 32 . 1 1 20 20 GLU C C 20 177.163 177.163 178.040 -0.877 18227 11080 1 32 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.301 0.071 18227 11081 1 32 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.689 -1.645 18227 11082 1 32 . 1 1 20 20 GLU H H 20 8.299 8.299 8.414 -0.115 18227 11083 1 32 . 1 1 21 21 TYR N N 21 118.601 118.601 121.472 -2.871 18227 11084 1 32 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.351 0.254 18227 11085 1 32 . 1 1 21 21 TYR C C 21 177.166 177.166 176.783 0.383 18227 11086 1 32 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.946 -1.540 18227 11087 1 32 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.795 -0.317 18227 11088 1 32 . 1 1 21 21 TYR H H 21 8.165 8.165 8.897 -0.732 18227 11089 1 32 . 1 1 22 22 THR N N 22 112.362 112.362 110.669 1.693 18227 11090 1 32 . 1 1 22 22 THR HA H 22 4.203 4.203 4.152 0.051 18227 11091 1 32 . 1 1 22 22 THR C C 22 176.226 176.226 175.249 0.977 18227 11092 1 32 . 1 1 22 22 THR CA C 22 64.825 64.825 63.407 1.418 18227 11093 1 32 . 1 1 22 22 THR CB C 22 69.471 69.471 67.907 1.564 18227 11094 1 32 . 1 1 22 22 THR H H 22 8.063 8.063 8.105 -0.042 18227 11095 1 32 . 1 1 23 23 ASP N N 23 121.414 121.414 119.708 1.706 18227 11096 1 32 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.845 -0.102 18227 11097 1 32 . 1 1 23 23 ASP C C 23 176.664 176.664 176.613 0.051 18227 11098 1 32 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.502 -0.343 18227 11099 1 32 . 1 1 23 23 ASP CB C 23 37.475 37.475 42.995 -5.520 18227 11100 1 32 . 1 1 23 23 ASP H H 23 8.355 8.355 8.324 0.031 18227 11101 1 32 . 1 1 24 24 TRP N N 24 121.858 121.858 123.377 -1.519 18227 11102 1 32 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.340 0.300 18227 11103 1 32 . 1 1 24 24 TRP C C 24 178.311 178.311 177.577 0.734 18227 11104 1 32 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.036 -1.392 18227 11105 1 32 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.683 -0.941 18227 11106 1 32 . 1 1 24 24 TRP H H 24 8.363 8.363 8.769 -0.406 18227 11107 1 32 . 1 1 25 25 LYS N N 25 120.099 120.099 120.101 -0.002 18227 11108 1 32 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.319 1.757 18227 11109 1 32 . 1 1 25 25 LYS C C 25 177.946 177.946 177.535 0.411 18227 11110 1 32 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.140 -0.006 18227 11111 1 32 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.385 0.885 18227 11112 1 32 . 1 1 25 25 LYS H H 25 8.291 8.291 7.387 0.904 18227 11113 1 32 . 1 1 26 26 SER N N 26 113.558 113.558 110.373 3.185 18227 11114 1 32 . 1 1 26 26 SER HA H 26 4.541 4.541 4.253 0.288 18227 11115 1 32 . 1 1 26 26 SER C C 26 175.212 175.212 174.012 1.200 18227 11116 1 32 . 1 1 26 26 SER CA C 26 59.813 59.813 57.582 2.231 18227 11117 1 32 . 1 1 26 26 SER CB C 26 63.672 63.672 63.367 0.305 18227 11118 1 32 . 1 1 26 26 SER H H 26 8.088 8.088 7.718 0.370 18227 11119 1 32 . 1 1 27 27 SER N N 27 116.456 116.456 116.733 -0.277 18227 11120 1 32 . 1 1 27 27 SER HA H 27 4.534 4.534 4.001 0.533 18227 11121 1 32 . 1 1 27 27 SER C C 27 175.216 175.216 174.478 0.738 18227 11122 1 32 . 1 1 27 27 SER CA C 27 60.042 60.042 58.993 1.049 18227 11123 1 32 . 1 1 27 27 SER CB C 27 63.782 63.782 61.630 2.152 18227 11124 1 32 . 1 1 27 27 SER H H 27 8.025 8.025 7.226 0.799 18227 11125 1 32 . 1 1 28 28 GLY N N 28 108.769 108.769 108.059 0.710 18227 11126 1 32 . 1 1 28 28 GLY C C 28 174.198 174.198 174.636 -0.438 18227 11127 1 32 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.265 0.610 18227 11128 1 32 . 1 1 28 28 GLY H H 28 8.051 8.051 8.542 -0.491 18227 11129 1 32 . 1 1 29 29 ALA N N 29 121.719 121.719 119.909 1.810 18227 11130 1 32 . 1 1 29 29 ALA HA H 29 4.411 4.411 3.902 0.509 18227 11131 1 32 . 1 1 29 29 ALA C C 29 177.554 177.554 177.375 0.179 18227 11132 1 32 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.566 -0.481 18227 11133 1 32 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.498 1.276 18227 11134 1 32 . 1 1 29 29 ALA H H 29 7.749 7.749 7.908 -0.159 18227 11135 1 32 . 1 1 30 30 LEU N N 30 118.220 118.220 112.182 6.038 18227 11136 1 32 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.602 -0.056 18227 11137 1 32 . 1 1 30 30 LEU C C 30 176.978 176.978 177.953 -0.975 18227 11138 1 32 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.496 -0.829 18227 11139 1 32 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.770 -0.014 18227 11140 1 32 . 1 1 30 30 LEU H H 30 7.660 7.660 7.253 0.407 18227 11141 1 32 . 1 1 31 31 ILE N N 31 118.934 118.934 120.351 -1.417 18227 11142 1 32 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.097 0.288 18227 11143 1 32 . 1 1 31 31 ILE C C 31 175.025 175.025 174.935 0.090 18227 11144 1 32 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.297 -3.621 18227 11145 1 32 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.416 2.155 18227 11146 1 32 . 1 1 31 31 ILE H H 31 7.446 7.446 7.418 0.028 18227 11147 1 32 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.157 0.322 18227 11148 1 32 . 1 1 32 32 PRO C C 32 177.601 177.601 177.878 -0.277 18227 11149 1 32 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.900 -0.580 18227 11150 1 32 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.556 0.679 18227 11151 1 32 . 1 1 33 33 ALA N N 33 118.822 118.822 122.225 -3.403 18227 11152 1 32 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.038 0.329 18227 11153 1 32 . 1 1 33 33 ALA C C 33 179.269 179.269 179.611 -0.342 18227 11154 1 32 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.152 -0.335 18227 11155 1 32 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.188 -0.296 18227 11156 1 32 . 1 1 33 33 ALA H H 33 7.293 7.293 8.026 -0.733 18227 11157 1 32 . 1 1 34 34 ILE N N 34 116.953 116.953 119.095 -2.142 18227 11158 1 32 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.627 0.463 18227 11159 1 32 . 1 1 34 34 ILE C C 34 177.061 177.061 178.347 -1.286 18227 11160 1 32 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.026 -1.041 18227 11161 1 32 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.057 1.062 18227 11162 1 32 . 1 1 34 34 ILE H H 34 7.766 7.766 7.823 -0.057 18227 11163 1 32 . 1 1 35 35 TYR N N 35 118.432 118.432 119.231 -0.799 18227 11164 1 32 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.002 0.366 18227 11165 1 32 . 1 1 35 35 TYR C C 35 178.052 178.052 178.586 -0.534 18227 11166 1 32 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.323 -1.201 18227 11167 1 32 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.283 -0.347 18227 11168 1 32 . 1 1 35 35 TYR H H 35 7.988 7.988 7.736 0.252 18227 11169 1 32 . 1 1 36 36 MET N N 36 117.042 117.042 117.367 -0.325 18227 11170 1 32 . 1 1 36 36 MET HA H 36 4.534 4.534 4.164 0.370 18227 11171 1 32 . 1 1 36 36 MET C C 36 177.734 177.734 178.830 -1.096 18227 11172 1 32 . 1 1 36 36 MET CA C 36 58.272 58.272 57.876 0.396 18227 11173 1 32 . 1 1 36 36 MET CB C 36 31.979 31.979 32.079 -0.100 18227 11174 1 32 . 1 1 36 36 MET H H 36 7.934 7.934 8.488 -0.554 18227 11175 1 32 . 1 1 37 37 LEU N N 37 120.539 120.539 120.194 0.345 18227 11176 1 32 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.061 0.282 18227 11177 1 32 . 1 1 37 37 LEU C C 37 178.746 178.746 178.649 0.097 18227 11178 1 32 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.320 0.392 18227 11179 1 32 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.113 -0.075 18227 11180 1 32 . 1 1 37 37 LEU H H 37 8.013 8.013 8.450 -0.437 18227 11181 1 32 . 1 1 38 38 VAL N N 38 117.729 117.729 116.530 1.199 18227 11182 1 32 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.951 -0.174 18227 11183 1 32 . 1 1 38 38 VAL C C 38 179.009 179.009 176.317 2.692 18227 11184 1 32 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.408 2.791 18227 11185 1 32 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.126 -0.461 18227 11186 1 32 . 1 1 38 38 VAL H H 38 8.360 8.360 7.959 0.401 18227 11187 1 32 . 1 1 39 39 PHE N N 39 120.549 120.549 122.282 -1.733 18227 11188 1 32 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.467 -0.042 18227 11189 1 32 . 1 1 39 39 PHE C C 39 179.129 179.129 177.166 1.963 18227 11190 1 32 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.114 0.408 18227 11191 1 32 . 1 1 39 39 PHE CB C 39 39.103 39.103 40.936 -1.833 18227 11192 1 32 . 1 1 39 39 PHE H H 39 8.225 8.225 8.180 0.045 18227 11193 1 32 . 1 1 40 40 LEU N N 40 122.778 122.778 115.396 7.382 18227 11194 1 32 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.224 -0.057 18227 11195 1 32 . 1 1 40 40 LEU C C 40 180.673 180.673 177.258 3.415 18227 11196 1 32 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.592 1.046 18227 11197 1 32 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.523 0.641 18227 11198 1 32 . 1 1 40 40 LEU H H 40 8.874 8.874 8.454 0.420 18227 11199 1 32 . 1 1 41 41 LEU N N 41 122.144 122.144 116.054 6.090 18227 11200 1 32 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.621 -0.385 18227 11201 1 32 . 1 1 41 41 LEU C C 41 180.709 180.709 178.141 2.568 18227 11202 1 32 . 1 1 41 41 LEU CA C 41 58.470 58.470 55.147 3.323 18227 11203 1 32 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.147 -1.369 18227 11204 1 32 . 1 1 41 41 LEU H H 41 9.193 9.193 7.855 1.338 18227 11205 1 32 . 1 1 42 42 GLY N N 42 107.124 107.124 106.152 0.972 18227 11206 1 32 . 1 1 42 42 GLY C C 42 176.537 176.537 174.663 1.874 18227 11207 1 32 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.948 0.785 18227 11208 1 32 . 1 1 42 42 GLY H H 42 8.755 8.755 7.714 1.041 18227 11209 1 32 . 1 1 43 43 THR N N 43 113.411 113.411 113.477 -0.066 18227 11210 1 32 . 1 1 43 43 THR HA H 43 4.299 4.299 4.378 -0.079 18227 11211 1 32 . 1 1 43 43 THR C C 43 176.797 176.797 173.413 3.384 18227 11212 1 32 . 1 1 43 43 THR CA C 43 64.990 64.990 61.151 3.839 18227 11213 1 32 . 1 1 43 43 THR CB C 43 69.731 69.731 69.134 0.597 18227 11214 1 32 . 1 1 43 43 THR H H 43 8.179 8.179 7.583 0.596 18227 11215 1 32 . 1 1 44 44 THR N N 44 114.667 114.667 115.277 -0.610 18227 11216 1 32 . 1 1 44 44 THR HA H 44 4.366 4.366 4.378 -0.012 18227 11217 1 32 . 1 1 44 44 THR C C 44 176.375 176.375 174.489 1.886 18227 11218 1 32 . 1 1 44 44 THR CA C 44 64.833 64.833 63.200 1.633 18227 11219 1 32 . 1 1 44 44 THR CB C 44 69.988 69.988 70.648 -0.660 18227 11220 1 32 . 1 1 44 44 THR H H 44 8.026 8.026 7.435 0.591 18227 11221 1 32 . 1 1 45 45 GLY N N 45 109.336 109.336 108.761 0.575 18227 11222 1 32 . 1 1 45 45 GLY C C 45 174.924 174.924 173.949 0.975 18227 11223 1 32 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.366 1.361 18227 11224 1 32 . 1 1 45 45 GLY H H 45 8.261 8.261 7.904 0.357 18227 11225 1 32 . 1 1 46 46 ASN N N 46 117.547 117.547 118.466 -0.919 18227 11226 1 32 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.799 -0.060 18227 11227 1 32 . 1 1 46 46 ASN C C 46 176.815 176.815 176.631 0.184 18227 11228 1 32 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.178 1.172 18227 11229 1 32 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.465 -0.972 18227 11230 1 32 . 1 1 46 46 ASN H H 46 8.083 8.083 7.713 0.370 18227 11231 1 32 . 1 1 47 47 GLY N N 47 106.960 106.960 110.869 -3.909 18227 11232 1 32 . 1 1 47 47 GLY C C 47 175.001 175.001 176.432 -1.431 18227 11233 1 32 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.431 -0.444 18227 11234 1 32 . 1 1 47 47 GLY H H 47 8.318 8.318 8.093 0.225 18227 11235 1 32 . 1 1 48 48 LEU N N 48 120.991 120.991 121.829 -0.838 18227 11236 1 32 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.118 0.371 18227 11237 1 32 . 1 1 48 48 LEU C C 48 180.375 180.375 178.746 1.629 18227 11238 1 32 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.387 0.861 18227 11239 1 32 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.570 0.477 18227 11240 1 32 . 1 1 48 48 LEU H H 48 7.999 7.999 7.987 0.012 18227 11241 1 32 . 1 1 49 49 VAL N N 49 121.040 121.040 118.127 2.913 18227 11242 1 32 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.627 0.206 18227 11243 1 32 . 1 1 49 49 VAL C C 49 178.016 178.016 178.173 -0.157 18227 11244 1 32 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.934 0.283 18227 11245 1 32 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.650 0.290 18227 11246 1 32 . 1 1 49 49 VAL H H 49 7.989 7.989 7.806 0.183 18227 11247 1 32 . 1 1 50 50 LEU N N 50 119.986 119.986 118.476 1.510 18227 11248 1 32 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.934 0.263 18227 11249 1 32 . 1 1 50 50 LEU C C 50 178.823 178.823 179.368 -0.545 18227 11250 1 32 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.557 1.133 18227 11251 1 32 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.128 0.537 18227 11252 1 32 . 1 1 50 50 LEU H H 50 7.926 7.926 8.127 -0.201 18227 11253 1 32 . 1 1 51 51 TRP N N 51 117.842 117.842 121.695 -3.853 18227 11254 1 32 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.373 0.314 18227 11255 1 32 . 1 1 51 51 TRP C C 51 178.729 178.729 178.143 0.586 18227 11256 1 32 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.998 -0.618 18227 11257 1 32 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.094 -0.553 18227 11258 1 32 . 1 1 51 51 TRP H H 51 8.525 8.525 8.261 0.264 18227 11259 1 32 . 1 1 52 52 THR N N 52 114.722 114.722 117.508 -2.786 18227 11260 1 32 . 1 1 52 52 THR HA H 52 4.007 4.007 3.667 0.340 18227 11261 1 32 . 1 1 52 52 THR C C 52 176.228 176.228 177.062 -0.834 18227 11262 1 32 . 1 1 52 52 THR CA C 52 67.517 67.517 67.646 -0.129 18227 11263 1 32 . 1 1 52 52 THR CB C 52 69.051 69.051 69.159 -0.108 18227 11264 1 32 . 1 1 52 52 THR H H 52 8.248 8.248 8.700 -0.452 18227 11265 1 32 . 1 1 53 53 VAL N N 53 123.008 123.008 121.868 1.140 18227 11266 1 32 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.703 0.045 18227 11267 1 32 . 1 1 53 53 VAL C C 53 178.474 178.474 177.284 1.190 18227 11268 1 32 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.057 0.398 18227 11269 1 32 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.434 0.406 18227 11270 1 32 . 1 1 53 53 VAL H H 53 8.634 8.634 8.924 -0.290 18227 11271 1 32 . 1 1 54 54 PHE N N 54 119.554 119.554 118.295 1.259 18227 11272 1 32 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.204 0.206 18227 11273 1 32 . 1 1 54 54 PHE C C 54 179.173 179.173 176.781 2.392 18227 11274 1 32 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.415 0.672 18227 11275 1 32 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.335 0.455 18227 11276 1 32 . 1 1 54 54 PHE H H 54 8.860 8.860 7.645 1.215 18227 11277 1 32 . 1 1 55 55 ARG N N 55 118.355 118.355 117.172 1.183 18227 11278 1 32 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.016 0.104 18227 11279 1 32 . 1 1 55 55 ARG C C 55 178.719 178.719 176.789 1.930 18227 11280 1 32 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.027 1.949 18227 11281 1 32 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.712 -0.635 18227 11282 1 32 . 1 1 55 55 ARG H H 55 8.296 8.296 7.888 0.408 18227 11283 1 32 . 1 1 56 56 LYS N N 56 119.698 119.698 117.903 1.795 18227 11284 1 32 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.393 -0.100 18227 11285 1 32 . 1 1 56 56 LYS C C 56 178.742 178.742 177.187 1.555 18227 11286 1 32 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.026 1.025 18227 11287 1 32 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.340 -0.569 18227 11288 1 32 . 1 1 56 56 LYS H H 56 8.377 8.377 7.880 0.497 18227 11289 1 32 . 1 1 57 57 LYS N N 57 119.104 119.104 119.334 -0.230 18227 11290 1 32 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.439 -0.094 18227 11291 1 32 . 1 1 57 57 LYS C C 57 178.311 178.311 177.174 1.137 18227 11292 1 32 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.370 0.762 18227 11293 1 32 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.915 -1.225 18227 11294 1 32 . 1 1 57 57 LYS H H 57 8.610 8.610 8.161 0.449 18227 11295 1 32 . 1 1 58 58 GLY N N 58 106.684 106.684 106.157 0.527 18227 11296 1 32 . 1 1 58 58 GLY C C 58 174.451 174.451 175.547 -1.096 18227 11297 1 32 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.093 -0.180 18227 11298 1 32 . 1 1 58 58 GLY H H 58 8.154 8.154 7.757 0.397 18227 11299 1 32 . 1 1 59 59 HIS N N 59 116.995 116.995 117.571 -0.576 18227 11300 1 32 . 1 1 59 59 HIS HA H 59 4.775 4.775 3.986 0.789 18227 11301 1 32 . 1 1 59 59 HIS C C 59 174.529 174.529 173.623 0.906 18227 11302 1 32 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.206 -1.065 18227 11303 1 32 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.256 -0.629 18227 11304 1 32 . 1 1 59 59 HIS H H 59 8.106 8.106 8.209 -0.103 18227 11305 1 32 . 1 1 60 60 HIS N N 60 117.887 117.887 114.489 3.398 18227 11306 1 32 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.667 0.179 18227 11307 1 32 . 1 1 60 60 HIS C C 60 174.247 174.247 174.411 -0.164 18227 11308 1 32 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.055 0.852 18227 11309 1 32 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.652 -0.603 18227 11310 1 32 . 1 1 60 60 HIS H H 60 8.425 8.425 7.265 1.160 18227 11311 1 32 . 1 1 61 61 HIS N N 61 118.329 118.329 118.383 -0.054 18227 11312 1 32 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.647 0.226 18227 11313 1 32 . 1 1 61 61 HIS C C 61 174.139 174.139 174.251 -0.112 18227 11314 1 32 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.628 -0.834 18227 11315 1 32 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.761 -1.491 18227 11316 1 32 . 1 1 61 61 HIS H H 61 8.573 8.573 8.362 0.211 18227 11317 1 32 . 1 1 62 62 HIS N N 62 118.968 118.968 118.600 0.368 18227 11318 1 32 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.499 0.376 18227 11319 1 32 . 1 1 62 62 HIS C C 62 173.827 173.827 173.948 -0.121 18227 11320 1 32 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.649 -0.881 18227 11321 1 32 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.899 -0.631 18227 11322 1 32 . 1 1 62 62 HIS H H 62 8.662 8.662 7.354 1.308 18227 11323 1 32 . 1 1 63 63 HIS N N 63 118.949 118.949 121.006 -2.057 18227 11324 1 32 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.373 0.477 18227 11325 1 32 . 1 1 63 63 HIS C C 63 173.433 173.433 174.688 -1.255 18227 11326 1 32 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.401 0.388 18227 11327 1 32 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.292 0.170 18227 11328 1 32 . 1 1 63 63 HIS H H 63 8.518 8.518 8.531 -0.013 18227 11329 1 33 . 1 1 2 2 GLU N N 2 122.322 122.322 120.959 1.363 18227 11330 1 33 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.198 0.480 18227 11331 1 33 . 1 1 2 2 GLU C C 2 175.160 175.160 175.186 -0.026 18227 11332 1 33 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.075 -0.982 18227 11333 1 33 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.868 -0.693 18227 11334 1 33 . 1 1 2 2 GLU H H 2 8.641 8.641 8.397 0.244 18227 11335 1 33 . 1 1 3 3 GLU N N 3 121.391 121.391 118.932 2.459 18227 11336 1 33 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.541 0.089 18227 11337 1 33 . 1 1 3 3 GLU C C 3 176.097 176.097 175.560 0.537 18227 11338 1 33 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.169 -0.082 18227 11339 1 33 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.974 -1.790 18227 11340 1 33 . 1 1 3 3 GLU H H 3 8.448 8.448 8.573 -0.125 18227 11341 1 33 . 1 1 4 4 GLY N N 4 109.002 109.002 112.203 -3.201 18227 11342 1 33 . 1 1 4 4 GLY C C 4 174.407 174.407 173.589 0.818 18227 11343 1 33 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.438 0.007 18227 11344 1 33 . 1 1 4 4 GLY H H 4 8.333 8.333 8.696 -0.363 18227 11345 1 33 . 1 1 5 5 GLY N N 5 107.419 107.419 106.320 1.099 18227 11346 1 33 . 1 1 5 5 GLY C C 5 173.914 173.914 172.808 1.106 18227 11347 1 33 . 1 1 5 5 GLY CA C 5 45.490 45.490 44.695 0.795 18227 11348 1 33 . 1 1 5 5 GLY H H 5 8.120 8.120 8.161 -0.041 18227 11349 1 33 . 1 1 6 6 ASP N N 6 117.918 117.918 120.460 -2.542 18227 11350 1 33 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.227 0.679 18227 11351 1 33 . 1 1 6 6 ASP C C 6 175.114 175.114 174.716 0.398 18227 11352 1 33 . 1 1 6 6 ASP CA C 6 53.119 53.119 52.698 0.421 18227 11353 1 33 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.223 -3.264 18227 11354 1 33 . 1 1 6 6 ASP H H 6 8.204 8.204 8.084 0.120 18227 11355 1 33 . 1 1 7 7 PHE N N 7 119.801 119.801 118.554 1.247 18227 11356 1 33 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.382 0.328 18227 11357 1 33 . 1 1 7 7 PHE C C 7 175.789 175.789 176.756 -0.967 18227 11358 1 33 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.503 1.173 18227 11359 1 33 . 1 1 7 7 PHE CB C 7 39.169 39.169 37.358 1.811 18227 11360 1 33 . 1 1 7 7 PHE H H 7 8.072 8.072 6.635 1.437 18227 11361 1 33 . 1 1 8 8 ASP N N 8 117.963 117.963 124.650 -6.687 18227 11362 1 33 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.428 0.349 18227 11363 1 33 . 1 1 8 8 ASP C C 8 174.919 174.919 176.842 -1.923 18227 11364 1 33 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.162 -1.582 18227 11365 1 33 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.022 -3.299 18227 11366 1 33 . 1 1 8 8 ASP H H 8 8.184 8.184 9.114 -0.930 18227 11367 1 33 . 1 1 9 9 ASN N N 9 117.736 117.736 115.537 2.199 18227 11368 1 33 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.306 0.484 18227 11369 1 33 . 1 1 9 9 ASN C C 9 174.974 174.974 175.139 -0.165 18227 11370 1 33 . 1 1 9 9 ASN CA C 9 53.736 53.736 53.711 0.025 18227 11371 1 33 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.062 0.508 18227 11372 1 33 . 1 1 9 9 ASN H H 9 8.080 8.080 7.903 0.177 18227 11373 1 33 . 1 1 10 10 TYR N N 10 119.580 119.580 117.224 2.356 18227 11374 1 33 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.287 0.339 18227 11375 1 33 . 1 1 10 10 TYR C C 10 175.935 175.935 174.365 1.570 18227 11376 1 33 . 1 1 10 10 TYR CA C 10 58.779 58.779 61.339 -2.560 18227 11377 1 33 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.548 0.966 18227 11378 1 33 . 1 1 10 10 TYR H H 10 7.869 7.869 8.942 -1.073 18227 11379 1 33 . 1 1 11 11 TYR N N 11 120.254 120.254 117.971 2.283 18227 11380 1 33 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.452 0.167 18227 11381 1 33 . 1 1 11 11 TYR C C 11 176.666 176.666 174.444 2.222 18227 11382 1 33 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.230 0.626 18227 11383 1 33 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.361 -0.873 18227 11384 1 33 . 1 1 11 11 TYR H H 11 7.906 7.906 7.556 0.350 18227 11385 1 33 . 1 1 12 12 GLY N N 12 108.226 108.226 106.344 1.882 18227 11386 1 33 . 1 1 12 12 GLY C C 12 174.314 174.314 172.067 2.247 18227 11387 1 33 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.568 0.212 18227 11388 1 33 . 1 1 12 12 GLY H H 12 7.817 7.817 7.866 -0.049 18227 11389 1 33 . 1 1 13 13 ALA N N 13 122.970 122.970 121.602 1.368 18227 11390 1 33 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.608 -0.138 18227 11391 1 33 . 1 1 13 13 ALA C C 13 178.137 178.137 176.814 1.323 18227 11392 1 33 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.256 1.194 18227 11393 1 33 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.519 -0.836 18227 11394 1 33 . 1 1 13 13 ALA H H 13 7.913 7.913 8.023 -0.110 18227 11395 1 33 . 1 1 14 14 ASP N N 14 116.374 116.374 117.653 -1.279 18227 11396 1 33 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.707 0.168 18227 11397 1 33 . 1 1 14 14 ASP C C 14 175.450 175.450 177.159 -1.709 18227 11398 1 33 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.318 -1.678 18227 11399 1 33 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.076 -2.214 18227 11400 1 33 . 1 1 14 14 ASP H H 14 8.348 8.348 8.241 0.107 18227 11401 1 33 . 1 1 15 15 ASN N N 15 118.423 118.423 117.863 0.560 18227 11402 1 33 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.267 0.603 18227 11403 1 33 . 1 1 15 15 ASN C C 15 176.054 176.054 175.982 0.072 18227 11404 1 33 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.329 -1.901 18227 11405 1 33 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.154 0.528 18227 11406 1 33 . 1 1 15 15 ASN H H 15 8.272 8.272 8.374 -0.102 18227 11407 1 33 . 1 1 16 16 GLN N N 16 120.129 120.129 115.104 5.025 18227 11408 1 33 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.243 0.173 18227 11409 1 33 . 1 1 16 16 GLN C C 16 177.337 177.337 177.712 -0.375 18227 11410 1 33 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.760 0.496 18227 11411 1 33 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.568 0.216 18227 11412 1 33 . 1 1 16 16 GLN H H 16 8.481 8.481 8.049 0.432 18227 11413 1 33 . 1 1 17 17 SER N N 17 115.051 115.051 118.606 -3.555 18227 11414 1 33 . 1 1 17 17 SER HA H 17 4.505 4.505 4.316 0.189 18227 11415 1 33 . 1 1 17 17 SER C C 17 175.596 175.596 176.407 -0.811 18227 11416 1 33 . 1 1 17 17 SER CA C 17 60.767 60.767 61.566 -0.799 18227 11417 1 33 . 1 1 17 17 SER CB C 17 63.325 63.325 63.081 0.244 18227 11418 1 33 . 1 1 17 17 SER H H 17 8.380 8.380 8.517 -0.137 18227 11419 1 33 . 1 1 18 18 GLU N N 18 120.901 120.901 121.188 -0.287 18227 11420 1 33 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.064 0.395 18227 11421 1 33 . 1 1 18 18 GLU C C 18 177.867 177.867 178.859 -0.992 18227 11422 1 33 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.988 -0.765 18227 11423 1 33 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.847 -0.782 18227 11424 1 33 . 1 1 18 18 GLU H H 18 8.233 8.233 8.299 -0.066 18227 11425 1 33 . 1 1 19 19 CYS N N 19 118.899 118.899 119.148 -0.249 18227 11426 1 33 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.347 0.129 18227 11427 1 33 . 1 1 19 19 CYS C C 19 175.896 175.896 176.211 -0.315 18227 11428 1 33 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.374 -0.112 18227 11429 1 33 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.065 -0.006 18227 11430 1 33 . 1 1 19 19 CYS H H 19 8.245 8.245 7.547 0.698 18227 11431 1 33 . 1 1 20 20 GLU N N 20 120.324 120.324 118.717 1.607 18227 11432 1 33 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.372 -0.045 18227 11433 1 33 . 1 1 20 20 GLU C C 20 177.163 177.163 177.442 -0.279 18227 11434 1 33 . 1 1 20 20 GLU CA C 20 58.372 58.372 56.958 1.415 18227 11435 1 33 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.366 -1.322 18227 11436 1 33 . 1 1 20 20 GLU H H 20 8.299 8.299 8.740 -0.441 18227 11437 1 33 . 1 1 21 21 TYR N N 21 118.601 118.601 121.087 -2.486 18227 11438 1 33 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.209 0.396 18227 11439 1 33 . 1 1 21 21 TYR C C 21 177.166 177.166 177.075 0.091 18227 11440 1 33 . 1 1 21 21 TYR CA C 21 60.406 60.406 61.590 -1.184 18227 11441 1 33 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.320 0.158 18227 11442 1 33 . 1 1 21 21 TYR H H 21 8.165 8.165 7.555 0.610 18227 11443 1 33 . 1 1 22 22 THR N N 22 112.362 112.362 110.341 2.021 18227 11444 1 33 . 1 1 22 22 THR HA H 22 4.203 4.203 4.301 -0.098 18227 11445 1 33 . 1 1 22 22 THR C C 22 176.226 176.226 175.704 0.522 18227 11446 1 33 . 1 1 22 22 THR CA C 22 64.825 64.825 64.165 0.660 18227 11447 1 33 . 1 1 22 22 THR CB C 22 69.471 69.471 68.659 0.812 18227 11448 1 33 . 1 1 22 22 THR H H 22 8.063 8.063 8.100 -0.037 18227 11449 1 33 . 1 1 23 23 ASP N N 23 121.414 121.414 121.054 0.360 18227 11450 1 33 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.771 -0.028 18227 11451 1 33 . 1 1 23 23 ASP C C 23 176.664 176.664 177.277 -0.613 18227 11452 1 33 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.094 -0.935 18227 11453 1 33 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.559 -4.084 18227 11454 1 33 . 1 1 23 23 ASP H H 23 8.355 8.355 8.273 0.082 18227 11455 1 33 . 1 1 24 24 TRP N N 24 121.858 121.858 122.415 -0.557 18227 11456 1 33 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.235 0.405 18227 11457 1 33 . 1 1 24 24 TRP C C 24 178.311 178.311 177.671 0.640 18227 11458 1 33 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.498 -0.854 18227 11459 1 33 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.230 -0.487 18227 11460 1 33 . 1 1 24 24 TRP H H 24 8.363 8.363 8.844 -0.481 18227 11461 1 33 . 1 1 25 25 LYS N N 25 120.099 120.099 118.358 1.741 18227 11462 1 33 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.185 1.891 18227 11463 1 33 . 1 1 25 25 LYS C C 25 177.946 177.946 177.574 0.372 18227 11464 1 33 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.224 -0.090 18227 11465 1 33 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.895 0.375 18227 11466 1 33 . 1 1 25 25 LYS H H 25 8.291 8.291 7.669 0.622 18227 11467 1 33 . 1 1 26 26 SER N N 26 113.558 113.558 111.306 2.252 18227 11468 1 33 . 1 1 26 26 SER HA H 26 4.541 4.541 4.411 0.130 18227 11469 1 33 . 1 1 26 26 SER C C 26 175.212 175.212 174.899 0.313 18227 11470 1 33 . 1 1 26 26 SER CA C 26 59.813 59.813 59.649 0.164 18227 11471 1 33 . 1 1 26 26 SER CB C 26 63.672 63.672 65.201 -1.529 18227 11472 1 33 . 1 1 26 26 SER H H 26 8.088 8.088 8.051 0.037 18227 11473 1 33 . 1 1 27 27 SER N N 27 116.456 116.456 117.615 -1.159 18227 11474 1 33 . 1 1 27 27 SER HA H 27 4.534 4.534 4.615 -0.081 18227 11475 1 33 . 1 1 27 27 SER C C 27 175.216 175.216 174.592 0.624 18227 11476 1 33 . 1 1 27 27 SER CA C 27 60.042 60.042 58.730 1.312 18227 11477 1 33 . 1 1 27 27 SER CB C 27 63.782 63.782 63.210 0.572 18227 11478 1 33 . 1 1 27 27 SER H H 27 8.025 8.025 8.399 -0.374 18227 11479 1 33 . 1 1 28 28 GLY N N 28 108.769 108.769 107.906 0.863 18227 11480 1 33 . 1 1 28 28 GLY C C 28 174.198 174.198 173.821 0.377 18227 11481 1 33 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.150 0.725 18227 11482 1 33 . 1 1 28 28 GLY H H 28 8.051 8.051 7.521 0.530 18227 11483 1 33 . 1 1 29 29 ALA N N 29 121.719 121.719 122.511 -0.792 18227 11484 1 33 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.386 0.025 18227 11485 1 33 . 1 1 29 29 ALA C C 29 177.554 177.554 177.085 0.469 18227 11486 1 33 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.829 0.256 18227 11487 1 33 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.012 0.762 18227 11488 1 33 . 1 1 29 29 ALA H H 29 7.749 7.749 8.131 -0.382 18227 11489 1 33 . 1 1 30 30 LEU N N 30 118.220 118.220 111.678 6.542 18227 11490 1 33 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.480 0.066 18227 11491 1 33 . 1 1 30 30 LEU C C 30 176.978 176.978 177.601 -0.623 18227 11492 1 33 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.941 -0.274 18227 11493 1 33 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.136 0.620 18227 11494 1 33 . 1 1 30 30 LEU H H 30 7.660 7.660 7.742 -0.082 18227 11495 1 33 . 1 1 31 31 ILE N N 31 118.934 118.934 122.041 -3.107 18227 11496 1 33 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.115 0.270 18227 11497 1 33 . 1 1 31 31 ILE C C 31 175.025 175.025 174.985 0.040 18227 11498 1 33 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.207 -3.531 18227 11499 1 33 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.577 1.994 18227 11500 1 33 . 1 1 31 31 ILE H H 31 7.446 7.446 8.169 -0.723 18227 11501 1 33 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.207 0.272 18227 11502 1 33 . 1 1 32 32 PRO C C 32 177.601 177.601 178.036 -0.435 18227 11503 1 33 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.070 -0.750 18227 11504 1 33 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.752 0.483 18227 11505 1 33 . 1 1 33 33 ALA N N 33 118.822 118.822 121.333 -2.511 18227 11506 1 33 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.088 0.279 18227 11507 1 33 . 1 1 33 33 ALA C C 33 179.269 179.269 179.559 -0.290 18227 11508 1 33 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.303 -0.486 18227 11509 1 33 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.124 -0.232 18227 11510 1 33 . 1 1 33 33 ALA H H 33 7.293 7.293 7.565 -0.272 18227 11511 1 33 . 1 1 34 34 ILE N N 34 116.953 116.953 119.206 -2.253 18227 11512 1 33 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.892 0.198 18227 11513 1 33 . 1 1 34 34 ILE C C 34 177.061 177.061 178.124 -1.063 18227 11514 1 33 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.074 0.911 18227 11515 1 33 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.546 0.573 18227 11516 1 33 . 1 1 34 34 ILE H H 34 7.766 7.766 7.750 0.016 18227 11517 1 33 . 1 1 35 35 TYR N N 35 118.432 118.432 120.750 -2.318 18227 11518 1 33 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.056 0.312 18227 11519 1 33 . 1 1 35 35 TYR C C 35 178.052 178.052 177.625 0.427 18227 11520 1 33 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.106 -0.984 18227 11521 1 33 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.559 -0.623 18227 11522 1 33 . 1 1 35 35 TYR H H 35 7.988 7.988 8.521 -0.533 18227 11523 1 33 . 1 1 36 36 MET N N 36 117.042 117.042 118.267 -1.225 18227 11524 1 33 . 1 1 36 36 MET HA H 36 4.534 4.534 4.052 0.482 18227 11525 1 33 . 1 1 36 36 MET C C 36 177.734 177.734 178.417 -0.683 18227 11526 1 33 . 1 1 36 36 MET CA C 36 58.272 58.272 58.449 -0.177 18227 11527 1 33 . 1 1 36 36 MET CB C 36 31.979 31.979 31.875 0.104 18227 11528 1 33 . 1 1 36 36 MET H H 36 7.934 7.934 8.559 -0.625 18227 11529 1 33 . 1 1 37 37 LEU N N 37 120.539 120.539 119.097 1.442 18227 11530 1 33 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.103 0.240 18227 11531 1 33 . 1 1 37 37 LEU C C 37 178.746 178.746 178.020 0.726 18227 11532 1 33 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.510 0.203 18227 11533 1 33 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.103 -0.065 18227 11534 1 33 . 1 1 37 37 LEU H H 37 8.013 8.013 7.586 0.427 18227 11535 1 33 . 1 1 38 38 VAL N N 38 117.729 117.729 115.222 2.507 18227 11536 1 33 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.887 -0.110 18227 11537 1 33 . 1 1 38 38 VAL C C 38 179.009 179.009 176.391 2.618 18227 11538 1 33 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.142 3.057 18227 11539 1 33 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.201 0.464 18227 11540 1 33 . 1 1 38 38 VAL H H 38 8.360 8.360 7.266 1.094 18227 11541 1 33 . 1 1 39 39 PHE N N 39 120.549 120.549 122.306 -1.757 18227 11542 1 33 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.481 -0.056 18227 11543 1 33 . 1 1 39 39 PHE C C 39 179.129 179.129 177.131 1.998 18227 11544 1 33 . 1 1 39 39 PHE CA C 39 61.522 61.522 60.850 0.672 18227 11545 1 33 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.662 -2.559 18227 11546 1 33 . 1 1 39 39 PHE H H 39 8.225 8.225 8.204 0.021 18227 11547 1 33 . 1 1 40 40 LEU N N 40 122.778 122.778 114.540 8.238 18227 11548 1 33 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.381 -0.214 18227 11549 1 33 . 1 1 40 40 LEU C C 40 180.673 180.673 176.783 3.890 18227 11550 1 33 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.952 1.686 18227 11551 1 33 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.930 0.234 18227 11552 1 33 . 1 1 40 40 LEU H H 40 8.874 8.874 8.293 0.581 18227 11553 1 33 . 1 1 41 41 LEU N N 41 122.144 122.144 117.089 5.055 18227 11554 1 33 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.462 -0.226 18227 11555 1 33 . 1 1 41 41 LEU C C 41 180.709 180.709 177.482 3.227 18227 11556 1 33 . 1 1 41 41 LEU CA C 41 58.470 58.470 55.072 3.398 18227 11557 1 33 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.908 -1.130 18227 11558 1 33 . 1 1 41 41 LEU H H 41 9.193 9.193 7.319 1.874 18227 11559 1 33 . 1 1 42 42 GLY N N 42 107.124 107.124 104.959 2.165 18227 11560 1 33 . 1 1 42 42 GLY C C 42 176.537 176.537 174.325 2.212 18227 11561 1 33 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.564 1.169 18227 11562 1 33 . 1 1 42 42 GLY H H 42 8.755 8.755 7.919 0.836 18227 11563 1 33 . 1 1 43 43 THR N N 43 113.411 113.411 113.733 -0.322 18227 11564 1 33 . 1 1 43 43 THR HA H 43 4.299 4.299 4.358 -0.059 18227 11565 1 33 . 1 1 43 43 THR C C 43 176.797 176.797 173.474 3.323 18227 11566 1 33 . 1 1 43 43 THR CA C 43 64.990 64.990 61.300 3.689 18227 11567 1 33 . 1 1 43 43 THR CB C 43 69.731 69.731 68.803 0.928 18227 11568 1 33 . 1 1 43 43 THR H H 43 8.179 8.179 7.990 0.189 18227 11569 1 33 . 1 1 44 44 THR N N 44 114.667 114.667 114.029 0.638 18227 11570 1 33 . 1 1 44 44 THR HA H 44 4.366 4.366 4.375 -0.009 18227 11571 1 33 . 1 1 44 44 THR C C 44 176.375 176.375 174.399 1.976 18227 11572 1 33 . 1 1 44 44 THR CA C 44 64.833 64.833 62.711 2.122 18227 11573 1 33 . 1 1 44 44 THR CB C 44 69.988 69.988 70.128 -0.140 18227 11574 1 33 . 1 1 44 44 THR H H 44 8.026 8.026 7.534 0.492 18227 11575 1 33 . 1 1 45 45 GLY N N 45 109.336 109.336 107.871 1.465 18227 11576 1 33 . 1 1 45 45 GLY C C 45 174.924 174.924 173.602 1.322 18227 11577 1 33 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.459 1.268 18227 11578 1 33 . 1 1 45 45 GLY H H 45 8.261 8.261 8.389 -0.128 18227 11579 1 33 . 1 1 46 46 ASN N N 46 117.547 117.547 118.923 -1.376 18227 11580 1 33 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.861 -0.122 18227 11581 1 33 . 1 1 46 46 ASN C C 46 176.815 176.815 176.518 0.297 18227 11582 1 33 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.477 0.873 18227 11583 1 33 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.745 -1.252 18227 11584 1 33 . 1 1 46 46 ASN H H 46 8.083 8.083 7.912 0.171 18227 11585 1 33 . 1 1 47 47 GLY N N 47 106.960 106.960 109.586 -2.626 18227 11586 1 33 . 1 1 47 47 GLY C C 47 175.001 175.001 175.845 -0.844 18227 11587 1 33 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.144 -0.157 18227 11588 1 33 . 1 1 47 47 GLY H H 47 8.318 8.318 7.618 0.700 18227 11589 1 33 . 1 1 48 48 LEU N N 48 120.991 120.991 121.634 -0.643 18227 11590 1 33 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.051 0.438 18227 11591 1 33 . 1 1 48 48 LEU C C 48 180.375 180.375 178.689 1.686 18227 11592 1 33 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.574 0.674 18227 11593 1 33 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.672 0.375 18227 11594 1 33 . 1 1 48 48 LEU H H 48 7.999 7.999 7.804 0.195 18227 11595 1 33 . 1 1 49 49 VAL N N 49 121.040 121.040 118.558 2.482 18227 11596 1 33 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.691 0.142 18227 11597 1 33 . 1 1 49 49 VAL C C 49 178.016 178.016 178.198 -0.182 18227 11598 1 33 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.733 0.484 18227 11599 1 33 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.562 0.378 18227 11600 1 33 . 1 1 49 49 VAL H H 49 7.989 7.989 7.963 0.026 18227 11601 1 33 . 1 1 50 50 LEU N N 50 119.986 119.986 119.210 0.776 18227 11602 1 33 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.939 0.258 18227 11603 1 33 . 1 1 50 50 LEU C C 50 178.823 178.823 179.429 -0.606 18227 11604 1 33 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.772 0.918 18227 11605 1 33 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.218 0.447 18227 11606 1 33 . 1 1 50 50 LEU H H 50 7.926 7.926 7.926 0.000 18227 11607 1 33 . 1 1 51 51 TRP N N 51 117.842 117.842 121.261 -3.419 18227 11608 1 33 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.374 0.313 18227 11609 1 33 . 1 1 51 51 TRP C C 51 178.729 178.729 178.418 0.311 18227 11610 1 33 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.027 -0.647 18227 11611 1 33 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.935 -0.394 18227 11612 1 33 . 1 1 51 51 TRP H H 51 8.525 8.525 8.392 0.133 18227 11613 1 33 . 1 1 52 52 THR N N 52 114.722 114.722 117.873 -3.151 18227 11614 1 33 . 1 1 52 52 THR HA H 52 4.007 4.007 3.637 0.370 18227 11615 1 33 . 1 1 52 52 THR C C 52 176.228 176.228 176.710 -0.482 18227 11616 1 33 . 1 1 52 52 THR CA C 52 67.517 67.517 67.405 0.112 18227 11617 1 33 . 1 1 52 52 THR CB C 52 69.051 69.051 69.076 -0.025 18227 11618 1 33 . 1 1 52 52 THR H H 52 8.248 8.248 8.672 -0.424 18227 11619 1 33 . 1 1 53 53 VAL N N 53 123.008 123.008 122.301 0.707 18227 11620 1 33 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.573 0.175 18227 11621 1 33 . 1 1 53 53 VAL C C 53 178.474 178.474 176.866 1.608 18227 11622 1 33 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.167 0.288 18227 11623 1 33 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.836 0.004 18227 11624 1 33 . 1 1 53 53 VAL H H 53 8.634 8.634 8.989 -0.355 18227 11625 1 33 . 1 1 54 54 PHE N N 54 119.554 119.554 117.469 2.085 18227 11626 1 33 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.177 0.233 18227 11627 1 33 . 1 1 54 54 PHE C C 54 179.173 179.173 176.853 2.320 18227 11628 1 33 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.059 0.028 18227 11629 1 33 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.515 0.275 18227 11630 1 33 . 1 1 54 54 PHE H H 54 8.860 8.860 7.761 1.099 18227 11631 1 33 . 1 1 55 55 ARG N N 55 118.355 118.355 116.284 2.071 18227 11632 1 33 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.294 -0.174 18227 11633 1 33 . 1 1 55 55 ARG C C 55 178.719 178.719 175.933 2.786 18227 11634 1 33 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.557 2.419 18227 11635 1 33 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.687 -0.609 18227 11636 1 33 . 1 1 55 55 ARG H H 55 8.296 8.296 7.525 0.771 18227 11637 1 33 . 1 1 56 56 LYS N N 56 119.698 119.698 117.517 2.181 18227 11638 1 33 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.302 -0.009 18227 11639 1 33 . 1 1 56 56 LYS C C 56 178.742 178.742 177.187 1.555 18227 11640 1 33 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.563 1.488 18227 11641 1 33 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.217 -1.446 18227 11642 1 33 . 1 1 56 56 LYS H H 56 8.377 8.377 8.222 0.155 18227 11643 1 33 . 1 1 57 57 LYS N N 57 119.104 119.104 120.416 -1.312 18227 11644 1 33 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.463 -0.118 18227 11645 1 33 . 1 1 57 57 LYS C C 57 178.311 178.311 178.290 0.021 18227 11646 1 33 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.280 0.852 18227 11647 1 33 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.609 -0.919 18227 11648 1 33 . 1 1 57 57 LYS H H 57 8.610 8.610 8.459 0.151 18227 11649 1 33 . 1 1 58 58 GLY N N 58 106.684 106.684 108.480 -1.796 18227 11650 1 33 . 1 1 58 58 GLY C C 58 174.451 174.451 175.581 -1.130 18227 11651 1 33 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.478 -0.565 18227 11652 1 33 . 1 1 58 58 GLY H H 58 8.154 8.154 7.852 0.302 18227 11653 1 33 . 1 1 59 59 HIS N N 59 116.995 116.995 117.133 -0.138 18227 11654 1 33 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.399 0.376 18227 11655 1 33 . 1 1 59 59 HIS C C 59 174.529 174.529 174.778 -0.249 18227 11656 1 33 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.138 -0.998 18227 11657 1 33 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.811 -1.184 18227 11658 1 33 . 1 1 59 59 HIS H H 59 8.106 8.106 8.500 -0.394 18227 11659 1 33 . 1 1 60 60 HIS N N 60 117.887 117.887 117.818 0.069 18227 11660 1 33 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.770 0.076 18227 11661 1 33 . 1 1 60 60 HIS C C 60 174.247 174.247 173.281 0.966 18227 11662 1 33 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.338 0.569 18227 11663 1 33 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.219 -1.169 18227 11664 1 33 . 1 1 60 60 HIS H H 60 8.425 8.425 7.413 1.012 18227 11665 1 33 . 1 1 61 61 HIS N N 61 118.329 118.329 123.398 -5.069 18227 11666 1 33 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.705 0.168 18227 11667 1 33 . 1 1 61 61 HIS C C 61 174.139 174.139 173.234 0.905 18227 11668 1 33 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.448 -0.654 18227 11669 1 33 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.982 -2.712 18227 11670 1 33 . 1 1 61 61 HIS H H 61 8.573 8.573 8.029 0.544 18227 11671 1 33 . 1 1 62 62 HIS N N 62 118.968 118.968 124.222 -5.254 18227 11672 1 33 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.028 0.847 18227 11673 1 33 . 1 1 62 62 HIS C C 62 173.827 173.827 174.222 -0.395 18227 11674 1 33 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.087 -0.319 18227 11675 1 33 . 1 1 62 62 HIS CB C 62 29.268 29.268 28.929 0.339 18227 11676 1 33 . 1 1 62 62 HIS H H 62 8.662 8.662 8.533 0.129 18227 11677 1 33 . 1 1 63 63 HIS N N 63 118.949 118.949 123.327 -4.378 18227 11678 1 33 . 1 1 63 63 HIS HA H 63 4.850 4.850 3.673 1.177 18227 11679 1 33 . 1 1 63 63 HIS C C 63 173.433 173.433 174.013 -0.580 18227 11680 1 33 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.805 -0.016 18227 11681 1 33 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.395 1.067 18227 11682 1 33 . 1 1 63 63 HIS H H 63 8.518 8.518 7.960 0.558 18227 11683 1 34 . 1 1 2 2 GLU N N 2 122.322 122.322 120.863 1.459 18227 11684 1 34 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.128 0.550 18227 11685 1 34 . 1 1 2 2 GLU C C 2 175.160 175.160 175.511 -0.351 18227 11686 1 34 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.689 -1.596 18227 11687 1 34 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.503 -0.328 18227 11688 1 34 . 1 1 2 2 GLU H H 2 8.641 8.641 8.551 0.090 18227 11689 1 34 . 1 1 3 3 GLU N N 3 121.391 121.391 117.949 3.442 18227 11690 1 34 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.433 0.197 18227 11691 1 34 . 1 1 3 3 GLU C C 3 176.097 176.097 174.988 1.109 18227 11692 1 34 . 1 1 3 3 GLU CA C 3 56.087 56.087 55.866 0.221 18227 11693 1 34 . 1 1 3 3 GLU CB C 3 29.184 29.184 31.096 -1.912 18227 11694 1 34 . 1 1 3 3 GLU H H 3 8.448 8.448 8.603 -0.155 18227 11695 1 34 . 1 1 4 4 GLY N N 4 109.002 109.002 108.068 0.934 18227 11696 1 34 . 1 1 4 4 GLY C C 4 174.407 174.407 174.491 -0.084 18227 11697 1 34 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.863 0.582 18227 11698 1 34 . 1 1 4 4 GLY H H 4 8.333 8.333 8.469 -0.136 18227 11699 1 34 . 1 1 5 5 GLY N N 5 107.419 107.419 108.670 -1.251 18227 11700 1 34 . 1 1 5 5 GLY C C 5 173.914 173.914 174.043 -0.129 18227 11701 1 34 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.931 -0.441 18227 11702 1 34 . 1 1 5 5 GLY H H 5 8.120 8.120 8.537 -0.417 18227 11703 1 34 . 1 1 6 6 ASP N N 6 117.918 117.918 118.576 -0.658 18227 11704 1 34 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.667 0.239 18227 11705 1 34 . 1 1 6 6 ASP C C 6 175.114 175.114 175.475 -0.361 18227 11706 1 34 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.181 -0.062 18227 11707 1 34 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.608 -2.649 18227 11708 1 34 . 1 1 6 6 ASP H H 6 8.204 8.204 8.249 -0.045 18227 11709 1 34 . 1 1 7 7 PHE N N 7 119.801 119.801 120.343 -0.542 18227 11710 1 34 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.039 0.671 18227 11711 1 34 . 1 1 7 7 PHE C C 7 175.789 175.789 175.143 0.646 18227 11712 1 34 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.501 -0.825 18227 11713 1 34 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.264 -0.095 18227 11714 1 34 . 1 1 7 7 PHE H H 7 8.072 8.072 7.976 0.096 18227 11715 1 34 . 1 1 8 8 ASP N N 8 117.963 117.963 121.264 -3.301 18227 11716 1 34 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.364 0.413 18227 11717 1 34 . 1 1 8 8 ASP C C 8 174.919 174.919 176.957 -2.038 18227 11718 1 34 . 1 1 8 8 ASP CA C 8 53.580 53.580 55.346 -1.766 18227 11719 1 34 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.172 -3.449 18227 11720 1 34 . 1 1 8 8 ASP H H 8 8.184 8.184 8.496 -0.312 18227 11721 1 34 . 1 1 9 9 ASN N N 9 117.736 117.736 116.453 1.283 18227 11722 1 34 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.148 0.642 18227 11723 1 34 . 1 1 9 9 ASN C C 9 174.974 174.974 174.956 0.018 18227 11724 1 34 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.847 -2.111 18227 11725 1 34 . 1 1 9 9 ASN CB C 9 38.570 38.570 37.145 1.425 18227 11726 1 34 . 1 1 9 9 ASN H H 9 8.080 8.080 7.888 0.192 18227 11727 1 34 . 1 1 10 10 TYR N N 10 119.580 119.580 121.143 -1.563 18227 11728 1 34 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.243 0.383 18227 11729 1 34 . 1 1 10 10 TYR C C 10 175.935 175.935 176.449 -0.514 18227 11730 1 34 . 1 1 10 10 TYR CA C 10 58.779 58.779 60.696 -1.917 18227 11731 1 34 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.447 0.067 18227 11732 1 34 . 1 1 10 10 TYR H H 10 7.869 7.869 7.844 0.025 18227 11733 1 34 . 1 1 11 11 TYR N N 11 120.254 120.254 120.327 -0.073 18227 11734 1 34 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.268 0.351 18227 11735 1 34 . 1 1 11 11 TYR C C 11 176.666 176.666 174.903 1.763 18227 11736 1 34 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.810 0.046 18227 11737 1 34 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.335 1.153 18227 11738 1 34 . 1 1 11 11 TYR H H 11 7.906 7.906 8.954 -1.048 18227 11739 1 34 . 1 1 12 12 GLY N N 12 108.226 108.226 103.619 4.607 18227 11740 1 34 . 1 1 12 12 GLY C C 12 174.314 174.314 172.735 1.579 18227 11741 1 34 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.970 -0.190 18227 11742 1 34 . 1 1 12 12 GLY H H 12 7.817 7.817 7.848 -0.031 18227 11743 1 34 . 1 1 13 13 ALA N N 13 122.970 122.970 122.026 0.944 18227 11744 1 34 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.532 -0.062 18227 11745 1 34 . 1 1 13 13 ALA C C 13 178.137 178.137 177.519 0.618 18227 11746 1 34 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.866 0.584 18227 11747 1 34 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.636 -0.953 18227 11748 1 34 . 1 1 13 13 ALA H H 13 7.913 7.913 7.983 -0.070 18227 11749 1 34 . 1 1 14 14 ASP N N 14 116.374 116.374 119.083 -2.709 18227 11750 1 34 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.638 0.237 18227 11751 1 34 . 1 1 14 14 ASP C C 14 175.450 175.450 177.205 -1.755 18227 11752 1 34 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.140 -2.500 18227 11753 1 34 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.615 -3.753 18227 11754 1 34 . 1 1 14 14 ASP H H 14 8.348 8.348 8.350 -0.002 18227 11755 1 34 . 1 1 15 15 ASN N N 15 118.423 118.423 117.322 1.101 18227 11756 1 34 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.435 0.435 18227 11757 1 34 . 1 1 15 15 ASN C C 15 176.054 176.054 175.927 0.127 18227 11758 1 34 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.215 -0.787 18227 11759 1 34 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.386 0.296 18227 11760 1 34 . 1 1 15 15 ASN H H 15 8.272 8.272 8.595 -0.323 18227 11761 1 34 . 1 1 16 16 GLN N N 16 120.129 120.129 113.797 6.332 18227 11762 1 34 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.233 0.183 18227 11763 1 34 . 1 1 16 16 GLN C C 16 177.337 177.337 177.680 -0.343 18227 11764 1 34 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.147 1.109 18227 11765 1 34 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.786 -0.002 18227 11766 1 34 . 1 1 16 16 GLN H H 16 8.481 8.481 8.234 0.247 18227 11767 1 34 . 1 1 17 17 SER N N 17 115.051 115.051 117.494 -2.443 18227 11768 1 34 . 1 1 17 17 SER HA H 17 4.505 4.505 4.177 0.328 18227 11769 1 34 . 1 1 17 17 SER C C 17 175.596 175.596 176.461 -0.865 18227 11770 1 34 . 1 1 17 17 SER CA C 17 60.767 60.767 61.291 -0.524 18227 11771 1 34 . 1 1 17 17 SER CB C 17 63.325 63.325 63.282 0.043 18227 11772 1 34 . 1 1 17 17 SER H H 17 8.380 8.380 8.322 0.058 18227 11773 1 34 . 1 1 18 18 GLU N N 18 120.901 120.901 121.826 -0.925 18227 11774 1 34 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.012 0.447 18227 11775 1 34 . 1 1 18 18 GLU C C 18 177.867 177.867 178.859 -0.992 18227 11776 1 34 . 1 1 18 18 GLU CA C 18 58.223 58.223 58.989 -0.766 18227 11777 1 34 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.125 -1.060 18227 11778 1 34 . 1 1 18 18 GLU H H 18 8.233 8.233 8.276 -0.043 18227 11779 1 34 . 1 1 19 19 CYS N N 19 118.899 118.899 115.396 3.503 18227 11780 1 34 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.347 0.129 18227 11781 1 34 . 1 1 19 19 CYS C C 19 175.896 175.896 175.744 0.152 18227 11782 1 34 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.736 -0.474 18227 11783 1 34 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.611 -1.552 18227 11784 1 34 . 1 1 19 19 CYS H H 19 8.245 8.245 7.355 0.890 18227 11785 1 34 . 1 1 20 20 GLU N N 20 120.324 120.324 118.338 1.986 18227 11786 1 34 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.450 -0.123 18227 11787 1 34 . 1 1 20 20 GLU C C 20 177.163 177.163 177.439 -0.276 18227 11788 1 34 . 1 1 20 20 GLU CA C 20 58.372 58.372 56.703 1.669 18227 11789 1 34 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.811 -1.767 18227 11790 1 34 . 1 1 20 20 GLU H H 20 8.299 8.299 8.370 -0.071 18227 11791 1 34 . 1 1 21 21 TYR N N 21 118.601 118.601 123.097 -4.496 18227 11792 1 34 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.367 0.238 18227 11793 1 34 . 1 1 21 21 TYR C C 21 177.166 177.166 176.886 0.280 18227 11794 1 34 . 1 1 21 21 TYR CA C 21 60.406 60.406 63.167 -2.761 18227 11795 1 34 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.680 -0.202 18227 11796 1 34 . 1 1 21 21 TYR H H 21 8.165 8.165 8.684 -0.519 18227 11797 1 34 . 1 1 22 22 THR N N 22 112.362 112.362 112.944 -0.582 18227 11798 1 34 . 1 1 22 22 THR HA H 22 4.203 4.203 4.197 0.006 18227 11799 1 34 . 1 1 22 22 THR C C 22 176.226 176.226 175.428 0.798 18227 11800 1 34 . 1 1 22 22 THR CA C 22 64.825 64.825 65.584 -0.759 18227 11801 1 34 . 1 1 22 22 THR CB C 22 69.471 69.471 68.306 1.165 18227 11802 1 34 . 1 1 22 22 THR H H 22 8.063 8.063 8.478 -0.415 18227 11803 1 34 . 1 1 23 23 ASP N N 23 121.414 121.414 121.408 0.006 18227 11804 1 34 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.684 0.059 18227 11805 1 34 . 1 1 23 23 ASP C C 23 176.664 176.664 177.418 -0.754 18227 11806 1 34 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.210 -1.051 18227 11807 1 34 . 1 1 23 23 ASP CB C 23 37.475 37.475 40.763 -3.288 18227 11808 1 34 . 1 1 23 23 ASP H H 23 8.355 8.355 7.886 0.469 18227 11809 1 34 . 1 1 24 24 TRP N N 24 121.858 121.858 122.827 -0.969 18227 11810 1 34 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.016 0.624 18227 11811 1 34 . 1 1 24 24 TRP C C 24 178.311 178.311 177.605 0.706 18227 11812 1 34 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.737 -1.093 18227 11813 1 34 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.321 -0.578 18227 11814 1 34 . 1 1 24 24 TRP H H 24 8.363 8.363 8.158 0.205 18227 11815 1 34 . 1 1 25 25 LYS N N 25 120.099 120.099 117.150 2.949 18227 11816 1 34 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.250 1.826 18227 11817 1 34 . 1 1 25 25 LYS C C 25 177.946 177.946 177.872 0.074 18227 11818 1 34 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.003 0.131 18227 11819 1 34 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.698 0.572 18227 11820 1 34 . 1 1 25 25 LYS H H 25 8.291 8.291 7.573 0.718 18227 11821 1 34 . 1 1 26 26 SER N N 26 113.558 113.558 112.303 1.255 18227 11822 1 34 . 1 1 26 26 SER HA H 26 4.541 4.541 4.336 0.205 18227 11823 1 34 . 1 1 26 26 SER C C 26 175.212 175.212 175.685 -0.473 18227 11824 1 34 . 1 1 26 26 SER CA C 26 59.813 59.813 60.179 -0.366 18227 11825 1 34 . 1 1 26 26 SER CB C 26 63.672 63.672 64.416 -0.744 18227 11826 1 34 . 1 1 26 26 SER H H 26 8.088 8.088 7.822 0.266 18227 11827 1 34 . 1 1 27 27 SER N N 27 116.456 116.456 117.278 -0.822 18227 11828 1 34 . 1 1 27 27 SER HA H 27 4.534 4.534 4.408 0.126 18227 11829 1 34 . 1 1 27 27 SER C C 27 175.216 175.216 174.727 0.489 18227 11830 1 34 . 1 1 27 27 SER CA C 27 60.042 60.042 59.454 0.588 18227 11831 1 34 . 1 1 27 27 SER CB C 27 63.782 63.782 63.305 0.477 18227 11832 1 34 . 1 1 27 27 SER H H 27 8.025 8.025 8.291 -0.266 18227 11833 1 34 . 1 1 28 28 GLY N N 28 108.769 108.769 107.055 1.714 18227 11834 1 34 . 1 1 28 28 GLY C C 28 174.198 174.198 172.723 1.475 18227 11835 1 34 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.610 1.265 18227 11836 1 34 . 1 1 28 28 GLY H H 28 8.051 8.051 7.649 0.402 18227 11837 1 34 . 1 1 29 29 ALA N N 29 121.719 121.719 121.178 0.541 18227 11838 1 34 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.455 -0.044 18227 11839 1 34 . 1 1 29 29 ALA C C 29 177.554 177.554 176.426 1.128 18227 11840 1 34 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.390 -0.305 18227 11841 1 34 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.270 -0.496 18227 11842 1 34 . 1 1 29 29 ALA H H 29 7.749 7.749 7.674 0.075 18227 11843 1 34 . 1 1 30 30 LEU N N 30 118.220 118.220 113.499 4.721 18227 11844 1 34 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.470 0.076 18227 11845 1 34 . 1 1 30 30 LEU C C 30 176.978 176.978 177.710 -0.732 18227 11846 1 34 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.888 -0.221 18227 11847 1 34 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.007 0.749 18227 11848 1 34 . 1 1 30 30 LEU H H 30 7.660 7.660 7.642 0.018 18227 11849 1 34 . 1 1 31 31 ILE N N 31 118.934 118.934 120.015 -1.081 18227 11850 1 34 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.153 0.232 18227 11851 1 34 . 1 1 31 31 ILE C C 31 175.025 175.025 174.928 0.097 18227 11852 1 34 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.807 -3.131 18227 11853 1 34 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.396 2.175 18227 11854 1 34 . 1 1 31 31 ILE H H 31 7.446 7.446 8.205 -0.759 18227 11855 1 34 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.235 0.244 18227 11856 1 34 . 1 1 32 32 PRO C C 32 177.601 177.601 178.248 -0.647 18227 11857 1 34 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.933 -0.613 18227 11858 1 34 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.708 0.527 18227 11859 1 34 . 1 1 33 33 ALA N N 33 118.822 118.822 120.961 -2.139 18227 11860 1 34 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.117 0.250 18227 11861 1 34 . 1 1 33 33 ALA C C 33 179.269 179.269 180.042 -0.773 18227 11862 1 34 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.987 -0.170 18227 11863 1 34 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.295 -0.403 18227 11864 1 34 . 1 1 33 33 ALA H H 33 7.293 7.293 8.067 -0.774 18227 11865 1 34 . 1 1 34 34 ILE N N 34 116.953 116.953 119.461 -2.508 18227 11866 1 34 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.658 0.432 18227 11867 1 34 . 1 1 34 34 ILE C C 34 177.061 177.061 178.036 -0.975 18227 11868 1 34 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.237 -0.252 18227 11869 1 34 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.464 0.655 18227 11870 1 34 . 1 1 34 34 ILE H H 34 7.766 7.766 7.740 0.026 18227 11871 1 34 . 1 1 35 35 TYR N N 35 118.432 118.432 118.130 0.302 18227 11872 1 34 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.937 0.431 18227 11873 1 34 . 1 1 35 35 TYR C C 35 178.052 178.052 178.447 -0.395 18227 11874 1 34 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.035 -0.913 18227 11875 1 34 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.025 -0.089 18227 11876 1 34 . 1 1 35 35 TYR H H 35 7.988 7.988 7.967 0.021 18227 11877 1 34 . 1 1 36 36 MET N N 36 117.042 117.042 118.206 -1.164 18227 11878 1 34 . 1 1 36 36 MET HA H 36 4.534 4.534 4.236 0.298 18227 11879 1 34 . 1 1 36 36 MET C C 36 177.734 177.734 178.862 -1.128 18227 11880 1 34 . 1 1 36 36 MET CA C 36 58.272 58.272 58.183 0.089 18227 11881 1 34 . 1 1 36 36 MET CB C 36 31.979 31.979 31.865 0.114 18227 11882 1 34 . 1 1 36 36 MET H H 36 7.934 7.934 8.388 -0.454 18227 11883 1 34 . 1 1 37 37 LEU N N 37 120.539 120.539 118.536 2.003 18227 11884 1 34 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.168 0.175 18227 11885 1 34 . 1 1 37 37 LEU C C 37 178.746 178.746 177.657 1.089 18227 11886 1 34 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.504 1.208 18227 11887 1 34 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.138 -0.100 18227 11888 1 34 . 1 1 37 37 LEU H H 37 8.013 8.013 8.011 0.002 18227 11889 1 34 . 1 1 38 38 VAL N N 38 117.729 117.729 116.109 1.620 18227 11890 1 34 . 1 1 38 38 VAL HA H 38 3.777 3.777 4.034 -0.257 18227 11891 1 34 . 1 1 38 38 VAL C C 38 179.009 179.009 175.792 3.217 18227 11892 1 34 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.265 3.934 18227 11893 1 34 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.190 -0.525 18227 11894 1 34 . 1 1 38 38 VAL H H 38 8.360 8.360 7.754 0.606 18227 11895 1 34 . 1 1 39 39 PHE N N 39 120.549 120.549 119.451 1.098 18227 11896 1 34 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.617 -0.192 18227 11897 1 34 . 1 1 39 39 PHE C C 39 179.129 179.129 175.244 3.885 18227 11898 1 34 . 1 1 39 39 PHE CA C 39 61.522 61.522 58.346 3.176 18227 11899 1 34 . 1 1 39 39 PHE CB C 39 39.103 39.103 42.201 -3.098 18227 11900 1 34 . 1 1 39 39 PHE H H 39 8.225 8.225 8.173 0.052 18227 11901 1 34 . 1 1 40 40 LEU N N 40 122.778 122.778 114.960 7.818 18227 11902 1 34 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.671 -0.504 18227 11903 1 34 . 1 1 40 40 LEU C C 40 180.673 180.673 176.557 4.116 18227 11904 1 34 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.197 3.441 18227 11905 1 34 . 1 1 40 40 LEU CB C 40 42.164 42.164 43.354 -1.190 18227 11906 1 34 . 1 1 40 40 LEU H H 40 8.874 8.874 8.173 0.701 18227 11907 1 34 . 1 1 41 41 LEU N N 41 122.144 122.144 121.526 0.618 18227 11908 1 34 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.671 -0.435 18227 11909 1 34 . 1 1 41 41 LEU C C 41 180.709 180.709 177.908 2.801 18227 11910 1 34 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.638 1.832 18227 11911 1 34 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.785 -1.007 18227 11912 1 34 . 1 1 41 41 LEU H H 41 9.193 9.193 7.474 1.719 18227 11913 1 34 . 1 1 42 42 GLY N N 42 107.124 107.124 106.954 0.170 18227 11914 1 34 . 1 1 42 42 GLY C C 42 176.537 176.537 174.864 1.673 18227 11915 1 34 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.462 0.271 18227 11916 1 34 . 1 1 42 42 GLY H H 42 8.755 8.755 7.828 0.927 18227 11917 1 34 . 1 1 43 43 THR N N 43 113.411 113.411 113.520 -0.109 18227 11918 1 34 . 1 1 43 43 THR HA H 43 4.299 4.299 4.539 -0.240 18227 11919 1 34 . 1 1 43 43 THR C C 43 176.797 176.797 174.024 2.773 18227 11920 1 34 . 1 1 43 43 THR CA C 43 64.990 64.990 61.593 3.397 18227 11921 1 34 . 1 1 43 43 THR CB C 43 69.731 69.731 69.457 0.274 18227 11922 1 34 . 1 1 43 43 THR H H 43 8.179 8.179 7.734 0.445 18227 11923 1 34 . 1 1 44 44 THR N N 44 114.667 114.667 115.366 -0.699 18227 11924 1 34 . 1 1 44 44 THR HA H 44 4.366 4.366 4.354 0.012 18227 11925 1 34 . 1 1 44 44 THR C C 44 176.375 176.375 174.539 1.836 18227 11926 1 34 . 1 1 44 44 THR CA C 44 64.833 64.833 63.377 1.456 18227 11927 1 34 . 1 1 44 44 THR CB C 44 69.988 69.988 70.843 -0.855 18227 11928 1 34 . 1 1 44 44 THR H H 44 8.026 8.026 7.500 0.526 18227 11929 1 34 . 1 1 45 45 GLY N N 45 109.336 109.336 107.632 1.704 18227 11930 1 34 . 1 1 45 45 GLY C C 45 174.924 174.924 173.682 1.242 18227 11931 1 34 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.152 1.575 18227 11932 1 34 . 1 1 45 45 GLY H H 45 8.261 8.261 7.819 0.442 18227 11933 1 34 . 1 1 46 46 ASN N N 46 117.547 117.547 117.879 -0.332 18227 11934 1 34 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.793 -0.054 18227 11935 1 34 . 1 1 46 46 ASN C C 46 176.815 176.815 176.587 0.228 18227 11936 1 34 . 1 1 46 46 ASN CA C 46 55.350 55.350 53.740 1.610 18227 11937 1 34 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.888 -1.395 18227 11938 1 34 . 1 1 46 46 ASN H H 46 8.083 8.083 8.118 -0.035 18227 11939 1 34 . 1 1 47 47 GLY N N 47 106.960 106.960 110.766 -3.806 18227 11940 1 34 . 1 1 47 47 GLY C C 47 175.001 175.001 176.313 -1.312 18227 11941 1 34 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.660 0.327 18227 11942 1 34 . 1 1 47 47 GLY H H 47 8.318 8.318 8.530 -0.212 18227 11943 1 34 . 1 1 48 48 LEU N N 48 120.991 120.991 121.619 -0.628 18227 11944 1 34 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.118 0.371 18227 11945 1 34 . 1 1 48 48 LEU C C 48 180.375 180.375 178.466 1.909 18227 11946 1 34 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.689 0.559 18227 11947 1 34 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.442 0.605 18227 11948 1 34 . 1 1 48 48 LEU H H 48 7.999 7.999 7.973 0.026 18227 11949 1 34 . 1 1 49 49 VAL N N 49 121.040 121.040 117.941 3.099 18227 11950 1 34 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.713 0.119 18227 11951 1 34 . 1 1 49 49 VAL C C 49 178.016 178.016 178.535 -0.519 18227 11952 1 34 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.723 0.494 18227 11953 1 34 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.198 0.742 18227 11954 1 34 . 1 1 49 49 VAL H H 49 7.989 7.989 7.913 0.076 18227 11955 1 34 . 1 1 50 50 LEU N N 50 119.986 119.986 119.134 0.852 18227 11956 1 34 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.921 0.276 18227 11957 1 34 . 1 1 50 50 LEU C C 50 178.823 178.823 179.335 -0.512 18227 11958 1 34 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.815 0.875 18227 11959 1 34 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.345 0.320 18227 11960 1 34 . 1 1 50 50 LEU H H 50 7.926 7.926 7.682 0.244 18227 11961 1 34 . 1 1 51 51 TRP N N 51 117.842 117.842 120.780 -2.938 18227 11962 1 34 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.340 0.347 18227 11963 1 34 . 1 1 51 51 TRP C C 51 178.729 178.729 178.291 0.438 18227 11964 1 34 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.868 -0.488 18227 11965 1 34 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.990 -0.449 18227 11966 1 34 . 1 1 51 51 TRP H H 51 8.525 8.525 7.999 0.526 18227 11967 1 34 . 1 1 52 52 THR N N 52 114.722 114.722 117.739 -3.017 18227 11968 1 34 . 1 1 52 52 THR HA H 52 4.007 4.007 3.671 0.336 18227 11969 1 34 . 1 1 52 52 THR C C 52 176.228 176.228 176.695 -0.467 18227 11970 1 34 . 1 1 52 52 THR CA C 52 67.517 67.517 67.222 0.295 18227 11971 1 34 . 1 1 52 52 THR CB C 52 69.051 69.051 68.979 0.072 18227 11972 1 34 . 1 1 52 52 THR H H 52 8.248 8.248 8.742 -0.494 18227 11973 1 34 . 1 1 53 53 VAL N N 53 123.008 123.008 122.168 0.840 18227 11974 1 34 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.726 0.022 18227 11975 1 34 . 1 1 53 53 VAL C C 53 178.474 178.474 177.043 1.431 18227 11976 1 34 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.562 0.893 18227 11977 1 34 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.464 0.376 18227 11978 1 34 . 1 1 53 53 VAL H H 53 8.634 8.634 8.852 -0.218 18227 11979 1 34 . 1 1 54 54 PHE N N 54 119.554 119.554 117.210 2.344 18227 11980 1 34 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.127 0.283 18227 11981 1 34 . 1 1 54 54 PHE C C 54 179.173 179.173 177.147 2.026 18227 11982 1 34 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.907 0.180 18227 11983 1 34 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.226 0.564 18227 11984 1 34 . 1 1 54 54 PHE H H 54 8.860 8.860 7.756 1.104 18227 11985 1 34 . 1 1 55 55 ARG N N 55 118.355 118.355 114.773 3.582 18227 11986 1 34 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.187 -0.067 18227 11987 1 34 . 1 1 55 55 ARG C C 55 178.719 178.719 176.483 2.236 18227 11988 1 34 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.845 2.131 18227 11989 1 34 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.887 -0.809 18227 11990 1 34 . 1 1 55 55 ARG H H 55 8.296 8.296 7.626 0.670 18227 11991 1 34 . 1 1 56 56 LYS N N 56 119.698 119.698 118.299 1.399 18227 11992 1 34 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.424 -0.131 18227 11993 1 34 . 1 1 56 56 LYS C C 56 178.742 178.742 177.879 0.863 18227 11994 1 34 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.142 0.909 18227 11995 1 34 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.350 -0.579 18227 11996 1 34 . 1 1 56 56 LYS H H 56 8.377 8.377 8.042 0.335 18227 11997 1 34 . 1 1 57 57 LYS N N 57 119.104 119.104 120.311 -1.207 18227 11998 1 34 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.301 0.044 18227 11999 1 34 . 1 1 57 57 LYS C C 57 178.311 178.311 178.733 -0.422 18227 12000 1 34 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.410 0.722 18227 12001 1 34 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.710 -0.020 18227 12002 1 34 . 1 1 57 57 LYS H H 57 8.610 8.610 8.406 0.204 18227 12003 1 34 . 1 1 58 58 GLY N N 58 106.684 106.684 107.902 -1.218 18227 12004 1 34 . 1 1 58 58 GLY C C 58 174.451 174.451 175.006 -0.555 18227 12005 1 34 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.612 -0.699 18227 12006 1 34 . 1 1 58 58 GLY H H 58 8.154 8.154 8.152 0.002 18227 12007 1 34 . 1 1 59 59 HIS N N 59 116.995 116.995 117.293 -0.298 18227 12008 1 34 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.507 0.268 18227 12009 1 34 . 1 1 59 59 HIS C C 59 174.529 174.529 173.324 1.205 18227 12010 1 34 . 1 1 59 59 HIS CA C 59 56.140 56.140 55.858 0.283 18227 12011 1 34 . 1 1 59 59 HIS CB C 59 28.627 28.627 30.541 -1.914 18227 12012 1 34 . 1 1 59 59 HIS H H 59 8.106 8.106 7.828 0.278 18227 12013 1 34 . 1 1 60 60 HIS N N 60 117.887 117.887 113.701 4.186 18227 12014 1 34 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.174 0.672 18227 12015 1 34 . 1 1 60 60 HIS C C 60 174.247 174.247 173.773 0.474 18227 12016 1 34 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.242 -1.335 18227 12017 1 34 . 1 1 60 60 HIS CB C 60 29.050 29.050 26.863 2.187 18227 12018 1 34 . 1 1 60 60 HIS H H 60 8.425 8.425 7.823 0.602 18227 12019 1 34 . 1 1 61 61 HIS N N 61 118.329 118.329 117.273 1.056 18227 12020 1 34 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.450 0.423 18227 12021 1 34 . 1 1 61 61 HIS C C 61 174.139 174.139 174.942 -0.803 18227 12022 1 34 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.494 1.300 18227 12023 1 34 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.553 -2.283 18227 12024 1 34 . 1 1 61 61 HIS H H 61 8.573 8.573 7.715 0.858 18227 12025 1 34 . 1 1 62 62 HIS N N 62 118.968 118.968 118.985 -0.017 18227 12026 1 34 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.635 0.240 18227 12027 1 34 . 1 1 62 62 HIS C C 62 173.827 173.827 175.719 -1.892 18227 12028 1 34 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.707 -1.939 18227 12029 1 34 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.015 -1.747 18227 12030 1 34 . 1 1 62 62 HIS H H 62 8.662 8.662 8.181 0.481 18227 12031 1 34 . 1 1 63 63 HIS N N 63 118.949 118.949 118.905 0.044 18227 12032 1 34 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.584 0.266 18227 12033 1 34 . 1 1 63 63 HIS C C 63 173.433 173.433 174.430 -0.997 18227 12034 1 34 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.359 0.430 18227 12035 1 34 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.722 0.740 18227 12036 1 34 . 1 1 63 63 HIS H H 63 8.518 8.518 8.198 0.320 18227 12037 1 35 . 1 1 2 2 GLU N N 2 122.322 122.322 123.256 -0.934 18227 12038 1 35 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.470 0.208 18227 12039 1 35 . 1 1 2 2 GLU C C 2 175.160 175.160 175.990 -0.830 18227 12040 1 35 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.797 -0.704 18227 12041 1 35 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.414 -1.239 18227 12042 1 35 . 1 1 2 2 GLU H H 2 8.641 8.641 8.515 0.126 18227 12043 1 35 . 1 1 3 3 GLU N N 3 121.391 121.391 121.389 0.002 18227 12044 1 35 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.570 0.060 18227 12045 1 35 . 1 1 3 3 GLU C C 3 176.097 176.097 175.512 0.585 18227 12046 1 35 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.602 -0.515 18227 12047 1 35 . 1 1 3 3 GLU CB C 3 29.184 29.184 29.989 -0.805 18227 12048 1 35 . 1 1 3 3 GLU H H 3 8.448 8.448 8.735 -0.287 18227 12049 1 35 . 1 1 4 4 GLY N N 4 109.002 109.002 108.819 0.183 18227 12050 1 35 . 1 1 4 4 GLY C C 4 174.407 174.407 174.907 -0.500 18227 12051 1 35 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.284 0.161 18227 12052 1 35 . 1 1 4 4 GLY H H 4 8.333 8.333 8.478 -0.145 18227 12053 1 35 . 1 1 5 5 GLY N N 5 107.419 107.419 109.930 -2.511 18227 12054 1 35 . 1 1 5 5 GLY C C 5 173.914 173.914 174.570 -0.656 18227 12055 1 35 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.159 0.331 18227 12056 1 35 . 1 1 5 5 GLY H H 5 8.120 8.120 8.132 -0.012 18227 12057 1 35 . 1 1 6 6 ASP N N 6 117.918 117.918 118.244 -0.326 18227 12058 1 35 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.376 0.530 18227 12059 1 35 . 1 1 6 6 ASP C C 6 175.114 175.114 174.240 0.874 18227 12060 1 35 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.291 -1.172 18227 12061 1 35 . 1 1 6 6 ASP CB C 6 37.959 37.959 39.887 -1.928 18227 12062 1 35 . 1 1 6 6 ASP H H 6 8.204 8.204 8.266 -0.062 18227 12063 1 35 . 1 1 7 7 PHE N N 7 119.801 119.801 118.101 1.700 18227 12064 1 35 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.684 0.026 18227 12065 1 35 . 1 1 7 7 PHE C C 7 175.789 175.789 174.307 1.482 18227 12066 1 35 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.270 0.405 18227 12067 1 35 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.377 -1.208 18227 12068 1 35 . 1 1 7 7 PHE H H 7 8.072 8.072 7.971 0.101 18227 12069 1 35 . 1 1 8 8 ASP N N 8 117.963 117.963 121.372 -3.409 18227 12070 1 35 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.876 -0.099 18227 12071 1 35 . 1 1 8 8 ASP C C 8 174.919 174.919 176.214 -1.295 18227 12072 1 35 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.093 -0.513 18227 12073 1 35 . 1 1 8 8 ASP CB C 8 37.723 37.723 42.046 -4.323 18227 12074 1 35 . 1 1 8 8 ASP H H 8 8.184 8.184 8.729 -0.545 18227 12075 1 35 . 1 1 9 9 ASN N N 9 117.736 117.736 121.058 -3.322 18227 12076 1 35 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.536 0.254 18227 12077 1 35 . 1 1 9 9 ASN C C 9 174.974 174.974 175.779 -0.805 18227 12078 1 35 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.563 -1.827 18227 12079 1 35 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.875 -0.305 18227 12080 1 35 . 1 1 9 9 ASN H H 9 8.080 8.080 8.495 -0.415 18227 12081 1 35 . 1 1 10 10 TYR N N 10 119.580 119.580 119.489 0.091 18227 12082 1 35 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.280 0.346 18227 12083 1 35 . 1 1 10 10 TYR C C 10 175.935 175.935 176.273 -0.338 18227 12084 1 35 . 1 1 10 10 TYR CA C 10 58.779 58.779 60.280 -1.501 18227 12085 1 35 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.385 0.129 18227 12086 1 35 . 1 1 10 10 TYR H H 10 7.869 7.869 8.208 -0.339 18227 12087 1 35 . 1 1 11 11 TYR N N 11 120.254 120.254 123.167 -2.913 18227 12088 1 35 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.251 0.368 18227 12089 1 35 . 1 1 11 11 TYR C C 11 176.666 176.666 174.651 2.015 18227 12090 1 35 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.885 -0.029 18227 12091 1 35 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.430 1.058 18227 12092 1 35 . 1 1 11 11 TYR H H 11 7.906 7.906 8.862 -0.956 18227 12093 1 35 . 1 1 12 12 GLY N N 12 108.226 108.226 104.566 3.660 18227 12094 1 35 . 1 1 12 12 GLY C C 12 174.314 174.314 173.213 1.101 18227 12095 1 35 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.752 0.028 18227 12096 1 35 . 1 1 12 12 GLY H H 12 7.817 7.817 7.642 0.175 18227 12097 1 35 . 1 1 13 13 ALA N N 13 122.970 122.970 122.708 0.262 18227 12098 1 35 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.481 -0.011 18227 12099 1 35 . 1 1 13 13 ALA C C 13 178.137 178.137 177.551 0.586 18227 12100 1 35 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.973 -0.523 18227 12101 1 35 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.753 -1.071 18227 12102 1 35 . 1 1 13 13 ALA H H 13 7.913 7.913 8.197 -0.284 18227 12103 1 35 . 1 1 14 14 ASP N N 14 116.374 116.374 118.276 -1.902 18227 12104 1 35 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.548 0.327 18227 12105 1 35 . 1 1 14 14 ASP C C 14 175.450 175.450 177.721 -2.271 18227 12106 1 35 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.710 -2.070 18227 12107 1 35 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.939 -3.077 18227 12108 1 35 . 1 1 14 14 ASP H H 14 8.348 8.348 8.204 0.144 18227 12109 1 35 . 1 1 15 15 ASN N N 15 118.423 118.423 118.089 0.334 18227 12110 1 35 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.308 0.562 18227 12111 1 35 . 1 1 15 15 ASN C C 15 176.054 176.054 175.806 0.248 18227 12112 1 35 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.202 -0.774 18227 12113 1 35 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.478 0.204 18227 12114 1 35 . 1 1 15 15 ASN H H 15 8.272 8.272 8.585 -0.313 18227 12115 1 35 . 1 1 16 16 GLN N N 16 120.129 120.129 114.970 5.159 18227 12116 1 35 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.289 0.127 18227 12117 1 35 . 1 1 16 16 GLN C C 16 177.337 177.337 175.770 1.567 18227 12118 1 35 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.369 1.887 18227 12119 1 35 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.979 -0.195 18227 12120 1 35 . 1 1 16 16 GLN H H 16 8.481 8.481 8.198 0.283 18227 12121 1 35 . 1 1 17 17 SER N N 17 115.051 115.051 116.331 -1.280 18227 12122 1 35 . 1 1 17 17 SER HA H 17 4.505 4.505 4.758 -0.253 18227 12123 1 35 . 1 1 17 17 SER C C 17 175.596 175.596 176.144 -0.548 18227 12124 1 35 . 1 1 17 17 SER CA C 17 60.767 60.767 59.728 1.039 18227 12125 1 35 . 1 1 17 17 SER CB C 17 63.325 63.325 65.474 -2.149 18227 12126 1 35 . 1 1 17 17 SER H H 17 8.380 8.380 8.051 0.329 18227 12127 1 35 . 1 1 18 18 GLU N N 18 120.901 120.901 122.296 -1.395 18227 12128 1 35 . 1 1 18 18 GLU HA H 18 4.459 4.459 3.948 0.511 18227 12129 1 35 . 1 1 18 18 GLU C C 18 177.867 177.867 177.947 -0.080 18227 12130 1 35 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.162 -0.939 18227 12131 1 35 . 1 1 18 18 GLU CB C 18 28.065 28.065 28.658 -0.593 18227 12132 1 35 . 1 1 18 18 GLU H H 18 8.233 8.233 8.221 0.012 18227 12133 1 35 . 1 1 19 19 CYS N N 19 118.899 118.899 117.730 1.169 18227 12134 1 35 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.193 0.283 18227 12135 1 35 . 1 1 19 19 CYS C C 19 175.896 175.896 175.991 -0.095 18227 12136 1 35 . 1 1 19 19 CYS CA C 19 61.262 61.262 60.980 0.282 18227 12137 1 35 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.678 -0.619 18227 12138 1 35 . 1 1 19 19 CYS H H 19 8.245 8.245 8.126 0.119 18227 12139 1 35 . 1 1 20 20 GLU N N 20 120.324 120.324 119.282 1.042 18227 12140 1 35 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.310 0.017 18227 12141 1 35 . 1 1 20 20 GLU C C 20 177.163 177.163 177.964 -0.801 18227 12142 1 35 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.284 1.088 18227 12143 1 35 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.830 -0.786 18227 12144 1 35 . 1 1 20 20 GLU H H 20 8.299 8.299 8.372 -0.073 18227 12145 1 35 . 1 1 21 21 TYR N N 21 118.601 118.601 123.175 -4.574 18227 12146 1 35 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.223 0.382 18227 12147 1 35 . 1 1 21 21 TYR C C 21 177.166 177.166 176.207 0.959 18227 12148 1 35 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.125 -1.719 18227 12149 1 35 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.511 -0.033 18227 12150 1 35 . 1 1 21 21 TYR H H 21 8.165 8.165 8.443 -0.278 18227 12151 1 35 . 1 1 22 22 THR N N 22 112.362 112.362 110.339 2.023 18227 12152 1 35 . 1 1 22 22 THR HA H 22 4.203 4.203 4.332 -0.129 18227 12153 1 35 . 1 1 22 22 THR C C 22 176.226 176.226 174.406 1.820 18227 12154 1 35 . 1 1 22 22 THR CA C 22 64.825 64.825 63.800 1.025 18227 12155 1 35 . 1 1 22 22 THR CB C 22 69.471 69.471 68.345 1.126 18227 12156 1 35 . 1 1 22 22 THR H H 22 8.063 8.063 8.244 -0.181 18227 12157 1 35 . 1 1 23 23 ASP N N 23 121.414 121.414 121.419 -0.005 18227 12158 1 35 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.834 -0.091 18227 12159 1 35 . 1 1 23 23 ASP C C 23 176.664 176.664 176.931 -0.267 18227 12160 1 35 . 1 1 23 23 ASP CA C 23 55.159 55.159 55.503 -0.344 18227 12161 1 35 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.447 -3.972 18227 12162 1 35 . 1 1 23 23 ASP H H 23 8.355 8.355 8.411 -0.056 18227 12163 1 35 . 1 1 24 24 TRP N N 24 121.858 121.858 123.519 -1.661 18227 12164 1 35 . 1 1 24 24 TRP HA H 24 4.640 4.640 3.933 0.707 18227 12165 1 35 . 1 1 24 24 TRP C C 24 178.311 178.311 177.324 0.987 18227 12166 1 35 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.538 -1.894 18227 12167 1 35 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.340 -0.598 18227 12168 1 35 . 1 1 24 24 TRP H H 24 8.363 8.363 8.983 -0.620 18227 12169 1 35 . 1 1 25 25 LYS N N 25 120.099 120.099 117.691 2.408 18227 12170 1 35 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.098 1.978 18227 12171 1 35 . 1 1 25 25 LYS C C 25 177.946 177.946 177.618 0.328 18227 12172 1 35 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.997 0.137 18227 12173 1 35 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.787 0.483 18227 12174 1 35 . 1 1 25 25 LYS H H 25 8.291 8.291 7.630 0.661 18227 12175 1 35 . 1 1 26 26 SER N N 26 113.558 113.558 111.862 1.696 18227 12176 1 35 . 1 1 26 26 SER HA H 26 4.541 4.541 4.421 0.120 18227 12177 1 35 . 1 1 26 26 SER C C 26 175.212 175.212 175.081 0.131 18227 12178 1 35 . 1 1 26 26 SER CA C 26 59.813 59.813 59.906 -0.093 18227 12179 1 35 . 1 1 26 26 SER CB C 26 63.672 63.672 64.846 -1.174 18227 12180 1 35 . 1 1 26 26 SER H H 26 8.088 8.088 8.007 0.081 18227 12181 1 35 . 1 1 27 27 SER N N 27 116.456 116.456 117.430 -0.974 18227 12182 1 35 . 1 1 27 27 SER HA H 27 4.534 4.534 4.479 0.055 18227 12183 1 35 . 1 1 27 27 SER C C 27 175.216 175.216 174.704 0.512 18227 12184 1 35 . 1 1 27 27 SER CA C 27 60.042 60.042 59.054 0.987 18227 12185 1 35 . 1 1 27 27 SER CB C 27 63.782 63.782 63.100 0.682 18227 12186 1 35 . 1 1 27 27 SER H H 27 8.025 8.025 8.439 -0.414 18227 12187 1 35 . 1 1 28 28 GLY N N 28 108.769 108.769 107.939 0.830 18227 12188 1 35 . 1 1 28 28 GLY C C 28 174.198 174.198 172.583 1.615 18227 12189 1 35 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.901 0.974 18227 12190 1 35 . 1 1 28 28 GLY H H 28 8.051 8.051 7.658 0.393 18227 12191 1 35 . 1 1 29 29 ALA N N 29 121.719 121.719 121.111 0.608 18227 12192 1 35 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.466 -0.055 18227 12193 1 35 . 1 1 29 29 ALA C C 29 177.554 177.554 176.505 1.049 18227 12194 1 35 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.263 -0.178 18227 12195 1 35 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.947 -0.173 18227 12196 1 35 . 1 1 29 29 ALA H H 29 7.749 7.749 7.780 -0.031 18227 12197 1 35 . 1 1 30 30 LEU N N 30 118.220 118.220 113.058 5.162 18227 12198 1 35 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.420 0.126 18227 12199 1 35 . 1 1 30 30 LEU C C 30 176.978 176.978 177.533 -0.555 18227 12200 1 35 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.913 -0.246 18227 12201 1 35 . 1 1 30 30 LEU CB C 30 42.756 42.756 41.827 0.929 18227 12202 1 35 . 1 1 30 30 LEU H H 30 7.660 7.660 7.664 -0.004 18227 12203 1 35 . 1 1 31 31 ILE N N 31 118.934 118.934 119.937 -1.003 18227 12204 1 35 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.180 0.205 18227 12205 1 35 . 1 1 31 31 ILE C C 31 175.025 175.025 174.962 0.063 18227 12206 1 35 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.411 -2.735 18227 12207 1 35 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.622 1.949 18227 12208 1 35 . 1 1 31 31 ILE H H 31 7.446 7.446 8.070 -0.624 18227 12209 1 35 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.279 0.200 18227 12210 1 35 . 1 1 32 32 PRO C C 32 177.601 177.601 178.061 -0.460 18227 12211 1 35 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.720 -0.400 18227 12212 1 35 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.780 0.455 18227 12213 1 35 . 1 1 33 33 ALA N N 33 118.822 118.822 122.570 -3.748 18227 12214 1 35 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.069 0.298 18227 12215 1 35 . 1 1 33 33 ALA C C 33 179.269 179.269 179.609 -0.340 18227 12216 1 35 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.459 -0.642 18227 12217 1 35 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.012 -0.120 18227 12218 1 35 . 1 1 33 33 ALA H H 33 7.293 7.293 7.462 -0.169 18227 12219 1 35 . 1 1 34 34 ILE N N 34 116.953 116.953 119.584 -2.631 18227 12220 1 35 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.827 0.263 18227 12221 1 35 . 1 1 34 34 ILE C C 34 177.061 177.061 178.176 -1.115 18227 12222 1 35 . 1 1 34 34 ILE CA C 34 63.985 63.985 63.579 0.406 18227 12223 1 35 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.087 1.032 18227 12224 1 35 . 1 1 34 34 ILE H H 34 7.766 7.766 7.790 -0.024 18227 12225 1 35 . 1 1 35 35 TYR N N 35 118.432 118.432 120.632 -2.200 18227 12226 1 35 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.040 0.328 18227 12227 1 35 . 1 1 35 35 TYR C C 35 178.052 178.052 178.111 -0.059 18227 12228 1 35 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.590 -1.468 18227 12229 1 35 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.133 -0.197 18227 12230 1 35 . 1 1 35 35 TYR H H 35 7.988 7.988 8.052 -0.064 18227 12231 1 35 . 1 1 36 36 MET N N 36 117.042 117.042 117.914 -0.872 18227 12232 1 35 . 1 1 36 36 MET HA H 36 4.534 4.534 4.113 0.421 18227 12233 1 35 . 1 1 36 36 MET C C 36 177.734 177.734 178.561 -0.827 18227 12234 1 35 . 1 1 36 36 MET CA C 36 58.272 58.272 58.316 -0.043 18227 12235 1 35 . 1 1 36 36 MET CB C 36 31.979 31.979 31.840 0.139 18227 12236 1 35 . 1 1 36 36 MET H H 36 7.934 7.934 8.504 -0.570 18227 12237 1 35 . 1 1 37 37 LEU N N 37 120.539 120.539 119.095 1.444 18227 12238 1 35 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.139 0.204 18227 12239 1 35 . 1 1 37 37 LEU C C 37 178.746 178.746 178.183 0.563 18227 12240 1 35 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.183 0.529 18227 12241 1 35 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.299 -0.261 18227 12242 1 35 . 1 1 37 37 LEU H H 37 8.013 8.013 7.722 0.291 18227 12243 1 35 . 1 1 38 38 VAL N N 38 117.729 117.729 117.382 0.347 18227 12244 1 35 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.953 -0.176 18227 12245 1 35 . 1 1 38 38 VAL C C 38 179.009 179.009 177.088 1.921 18227 12246 1 35 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.076 3.123 18227 12247 1 35 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.236 -0.570 18227 12248 1 35 . 1 1 38 38 VAL H H 38 8.360 8.360 7.792 0.568 18227 12249 1 35 . 1 1 39 39 PHE N N 39 120.549 120.549 123.114 -2.565 18227 12250 1 35 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.667 -0.242 18227 12251 1 35 . 1 1 39 39 PHE C C 39 179.129 179.129 176.145 2.984 18227 12252 1 35 . 1 1 39 39 PHE CA C 39 61.522 61.522 60.873 0.649 18227 12253 1 35 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.208 -2.105 18227 12254 1 35 . 1 1 39 39 PHE H H 39 8.225 8.225 8.322 -0.097 18227 12255 1 35 . 1 1 40 40 LEU N N 40 122.778 122.778 117.395 5.383 18227 12256 1 35 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.181 -0.014 18227 12257 1 35 . 1 1 40 40 LEU C C 40 180.673 180.673 177.711 2.962 18227 12258 1 35 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.727 0.910 18227 12259 1 35 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.327 0.837 18227 12260 1 35 . 1 1 40 40 LEU H H 40 8.874 8.874 8.453 0.421 18227 12261 1 35 . 1 1 41 41 LEU N N 41 122.144 122.144 119.764 2.380 18227 12262 1 35 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.218 0.018 18227 12263 1 35 . 1 1 41 41 LEU C C 41 180.709 180.709 178.885 1.824 18227 12264 1 35 . 1 1 41 41 LEU CA C 41 58.470 58.470 57.257 1.213 18227 12265 1 35 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.092 -0.314 18227 12266 1 35 . 1 1 41 41 LEU H H 41 9.193 9.193 8.035 1.158 18227 12267 1 35 . 1 1 42 42 GLY N N 42 107.124 107.124 105.522 1.602 18227 12268 1 35 . 1 1 42 42 GLY C C 42 176.537 176.537 175.471 1.066 18227 12269 1 35 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.669 0.064 18227 12270 1 35 . 1 1 42 42 GLY H H 42 8.755 8.755 7.581 1.174 18227 12271 1 35 . 1 1 43 43 THR N N 43 113.411 113.411 116.035 -2.624 18227 12272 1 35 . 1 1 43 43 THR HA H 43 4.299 4.299 3.877 0.422 18227 12273 1 35 . 1 1 43 43 THR C C 43 176.797 176.797 175.115 1.682 18227 12274 1 35 . 1 1 43 43 THR CA C 43 64.990 64.990 64.970 0.020 18227 12275 1 35 . 1 1 43 43 THR CB C 43 69.731 69.731 68.133 1.598 18227 12276 1 35 . 1 1 43 43 THR H H 43 8.179 8.179 8.083 0.096 18227 12277 1 35 . 1 1 44 44 THR N N 44 114.667 114.667 114.221 0.446 18227 12278 1 35 . 1 1 44 44 THR HA H 44 4.366 4.366 4.372 -0.006 18227 12279 1 35 . 1 1 44 44 THR C C 44 176.375 176.375 174.568 1.807 18227 12280 1 35 . 1 1 44 44 THR CA C 44 64.833 64.833 63.412 1.421 18227 12281 1 35 . 1 1 44 44 THR CB C 44 69.988 69.988 69.579 0.409 18227 12282 1 35 . 1 1 44 44 THR H H 44 8.026 8.026 7.287 0.739 18227 12283 1 35 . 1 1 45 45 GLY N N 45 109.336 109.336 106.533 2.803 18227 12284 1 35 . 1 1 45 45 GLY C C 45 174.924 174.924 174.043 0.881 18227 12285 1 35 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.986 1.741 18227 12286 1 35 . 1 1 45 45 GLY H H 45 8.261 8.261 7.880 0.381 18227 12287 1 35 . 1 1 46 46 ASN N N 46 117.547 117.547 118.056 -0.509 18227 12288 1 35 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.862 -0.123 18227 12289 1 35 . 1 1 46 46 ASN C C 46 176.815 176.815 176.296 0.519 18227 12290 1 35 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.171 1.179 18227 12291 1 35 . 1 1 46 46 ASN CB C 46 38.493 38.493 40.374 -1.881 18227 12292 1 35 . 1 1 46 46 ASN H H 46 8.083 8.083 8.573 -0.490 18227 12293 1 35 . 1 1 47 47 GLY N N 47 106.960 106.960 110.277 -3.317 18227 12294 1 35 . 1 1 47 47 GLY C C 47 175.001 175.001 176.129 -1.128 18227 12295 1 35 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.321 -0.334 18227 12296 1 35 . 1 1 47 47 GLY H H 47 8.318 8.318 7.890 0.428 18227 12297 1 35 . 1 1 48 48 LEU N N 48 120.991 120.991 122.469 -1.478 18227 12298 1 35 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.071 0.418 18227 12299 1 35 . 1 1 48 48 LEU C C 48 180.375 180.375 178.356 2.019 18227 12300 1 35 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.818 0.430 18227 12301 1 35 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.639 0.408 18227 12302 1 35 . 1 1 48 48 LEU H H 48 7.999 7.999 7.332 0.667 18227 12303 1 35 . 1 1 49 49 VAL N N 49 121.040 121.040 118.974 2.066 18227 12304 1 35 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.722 0.111 18227 12305 1 35 . 1 1 49 49 VAL C C 49 178.016 178.016 178.184 -0.168 18227 12306 1 35 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.062 0.155 18227 12307 1 35 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.345 0.595 18227 12308 1 35 . 1 1 49 49 VAL H H 49 7.989 7.989 7.711 0.278 18227 12309 1 35 . 1 1 50 50 LEU N N 50 119.986 119.986 119.316 0.670 18227 12310 1 35 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.024 0.173 18227 12311 1 35 . 1 1 50 50 LEU C C 50 178.823 178.823 179.494 -0.671 18227 12312 1 35 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.102 0.587 18227 12313 1 35 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.556 0.109 18227 12314 1 35 . 1 1 50 50 LEU H H 50 7.926 7.926 7.860 0.066 18227 12315 1 35 . 1 1 51 51 TRP N N 51 117.842 117.842 120.792 -2.950 18227 12316 1 35 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.438 0.249 18227 12317 1 35 . 1 1 51 51 TRP C C 51 178.729 178.729 178.115 0.614 18227 12318 1 35 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.995 -0.615 18227 12319 1 35 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.867 -0.326 18227 12320 1 35 . 1 1 51 51 TRP H H 51 8.525 8.525 8.399 0.126 18227 12321 1 35 . 1 1 52 52 THR N N 52 114.722 114.722 117.548 -2.826 18227 12322 1 35 . 1 1 52 52 THR HA H 52 4.007 4.007 3.710 0.297 18227 12323 1 35 . 1 1 52 52 THR C C 52 176.228 176.228 176.552 -0.324 18227 12324 1 35 . 1 1 52 52 THR CA C 52 67.517 67.517 66.545 0.972 18227 12325 1 35 . 1 1 52 52 THR CB C 52 69.051 69.051 68.384 0.667 18227 12326 1 35 . 1 1 52 52 THR H H 52 8.248 8.248 8.643 -0.395 18227 12327 1 35 . 1 1 53 53 VAL N N 53 123.008 123.008 121.013 1.995 18227 12328 1 35 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.630 0.118 18227 12329 1 35 . 1 1 53 53 VAL C C 53 178.474 178.474 177.472 1.002 18227 12330 1 35 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.782 0.673 18227 12331 1 35 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.352 0.488 18227 12332 1 35 . 1 1 53 53 VAL H H 53 8.634 8.634 8.740 -0.106 18227 12333 1 35 . 1 1 54 54 PHE N N 54 119.554 119.554 118.534 1.020 18227 12334 1 35 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.099 0.311 18227 12335 1 35 . 1 1 54 54 PHE C C 54 179.173 179.173 176.961 2.212 18227 12336 1 35 . 1 1 54 54 PHE CA C 54 61.087 61.087 62.035 -0.947 18227 12337 1 35 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.804 -0.014 18227 12338 1 35 . 1 1 54 54 PHE H H 54 8.860 8.860 7.597 1.263 18227 12339 1 35 . 1 1 55 55 ARG N N 55 118.355 118.355 116.206 2.149 18227 12340 1 35 . 1 1 55 55 ARG HA H 55 4.120 4.120 3.972 0.148 18227 12341 1 35 . 1 1 55 55 ARG C C 55 178.719 178.719 177.490 1.229 18227 12342 1 35 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.979 1.997 18227 12343 1 35 . 1 1 55 55 ARG CB C 55 30.078 30.078 29.230 0.848 18227 12344 1 35 . 1 1 55 55 ARG H H 55 8.296 8.296 7.373 0.923 18227 12345 1 35 . 1 1 56 56 LYS N N 56 119.698 119.698 118.467 1.231 18227 12346 1 35 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.185 0.108 18227 12347 1 35 . 1 1 56 56 LYS C C 56 178.742 178.742 177.001 1.741 18227 12348 1 35 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.579 0.472 18227 12349 1 35 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.035 -0.264 18227 12350 1 35 . 1 1 56 56 LYS H H 56 8.377 8.377 7.684 0.693 18227 12351 1 35 . 1 1 57 57 LYS N N 57 119.104 119.104 116.861 2.243 18227 12352 1 35 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.378 -0.033 18227 12353 1 35 . 1 1 57 57 LYS C C 57 178.311 178.311 177.647 0.664 18227 12354 1 35 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.331 0.801 18227 12355 1 35 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.392 0.298 18227 12356 1 35 . 1 1 57 57 LYS H H 57 8.610 8.610 7.969 0.641 18227 12357 1 35 . 1 1 58 58 GLY N N 58 106.684 106.684 106.931 -0.247 18227 12358 1 35 . 1 1 58 58 GLY C C 58 174.451 174.451 175.424 -0.973 18227 12359 1 35 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.701 0.212 18227 12360 1 35 . 1 1 58 58 GLY H H 58 8.154 8.154 7.512 0.642 18227 12361 1 35 . 1 1 59 59 HIS N N 59 116.995 116.995 119.791 -2.796 18227 12362 1 35 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.391 0.384 18227 12363 1 35 . 1 1 59 59 HIS C C 59 174.529 174.529 175.691 -1.162 18227 12364 1 35 . 1 1 59 59 HIS CA C 59 56.140 56.140 56.507 -0.367 18227 12365 1 35 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.660 -1.034 18227 12366 1 35 . 1 1 59 59 HIS H H 59 8.106 8.106 7.636 0.470 18227 12367 1 35 . 1 1 60 60 HIS N N 60 117.887 117.887 117.287 0.600 18227 12368 1 35 . 1 1 60 60 HIS HA H 60 4.846 4.846 3.985 0.861 18227 12369 1 35 . 1 1 60 60 HIS C C 60 174.247 174.247 175.047 -0.800 18227 12370 1 35 . 1 1 60 60 HIS CA C 60 55.907 55.907 58.116 -2.209 18227 12371 1 35 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.866 -0.816 18227 12372 1 35 . 1 1 60 60 HIS H H 60 8.425 8.425 8.129 0.296 18227 12373 1 35 . 1 1 61 61 HIS N N 61 118.329 118.329 112.052 6.277 18227 12374 1 35 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.867 0.006 18227 12375 1 35 . 1 1 61 61 HIS C C 61 174.139 174.139 174.889 -0.750 18227 12376 1 35 . 1 1 61 61 HIS CA C 61 55.794 55.794 55.011 0.782 18227 12377 1 35 . 1 1 61 61 HIS CB C 61 29.270 29.270 31.568 -2.298 18227 12378 1 35 . 1 1 61 61 HIS H H 61 8.573 8.573 7.398 1.175 18227 12379 1 35 . 1 1 62 62 HIS N N 62 118.968 118.968 118.101 0.867 18227 12380 1 35 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.556 0.319 18227 12381 1 35 . 1 1 62 62 HIS C C 62 173.827 173.827 175.935 -2.108 18227 12382 1 35 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.642 -1.873 18227 12383 1 35 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.624 -1.356 18227 12384 1 35 . 1 1 62 62 HIS H H 62 8.662 8.662 8.924 -0.262 18227 12385 1 35 . 1 1 63 63 HIS N N 63 118.949 118.949 118.718 0.231 18227 12386 1 35 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.420 0.430 18227 12387 1 35 . 1 1 63 63 HIS C C 63 173.433 173.433 173.806 -0.373 18227 12388 1 35 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.637 0.152 18227 12389 1 35 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.481 0.981 18227 12390 1 35 . 1 1 63 63 HIS H H 63 8.518 8.518 8.254 0.264 18227 12391 1 36 . 1 1 2 2 GLU N N 2 122.322 122.322 122.033 0.289 18227 12392 1 36 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.368 0.310 18227 12393 1 36 . 1 1 2 2 GLU C C 2 175.160 175.160 176.001 -0.841 18227 12394 1 36 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.240 -0.147 18227 12395 1 36 . 1 1 2 2 GLU CB C 2 29.175 29.175 27.850 1.325 18227 12396 1 36 . 1 1 2 2 GLU H H 2 8.641 8.641 8.518 0.123 18227 12397 1 36 . 1 1 3 3 GLU N N 3 121.391 121.391 118.115 3.276 18227 12398 1 36 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.015 0.615 18227 12399 1 36 . 1 1 3 3 GLU C C 3 176.097 176.097 175.554 0.543 18227 12400 1 36 . 1 1 3 3 GLU CA C 3 56.087 56.087 57.227 -1.140 18227 12401 1 36 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.105 -0.921 18227 12402 1 36 . 1 1 3 3 GLU H H 3 8.448 8.448 8.087 0.361 18227 12403 1 36 . 1 1 4 4 GLY N N 4 109.002 109.002 109.939 -0.937 18227 12404 1 36 . 1 1 4 4 GLY C C 4 174.407 174.407 173.927 0.480 18227 12405 1 36 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.510 -0.065 18227 12406 1 36 . 1 1 4 4 GLY H H 4 8.333 8.333 8.843 -0.510 18227 12407 1 36 . 1 1 5 5 GLY N N 5 107.419 107.419 109.941 -2.522 18227 12408 1 36 . 1 1 5 5 GLY C C 5 173.914 173.914 172.635 1.279 18227 12409 1 36 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.623 -0.133 18227 12410 1 36 . 1 1 5 5 GLY H H 5 8.120 8.120 8.169 -0.049 18227 12411 1 36 . 1 1 6 6 ASP N N 6 117.918 117.918 118.681 -0.763 18227 12412 1 36 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.662 0.244 18227 12413 1 36 . 1 1 6 6 ASP C C 6 175.114 175.114 175.143 -0.029 18227 12414 1 36 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.632 -0.513 18227 12415 1 36 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.042 -3.083 18227 12416 1 36 . 1 1 6 6 ASP H H 6 8.204 8.204 8.162 0.042 18227 12417 1 36 . 1 1 7 7 PHE N N 7 119.801 119.801 122.029 -2.228 18227 12418 1 36 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.543 0.167 18227 12419 1 36 . 1 1 7 7 PHE C C 7 175.789 175.789 175.714 0.075 18227 12420 1 36 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.127 0.549 18227 12421 1 36 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.251 -1.082 18227 12422 1 36 . 1 1 7 7 PHE H H 7 8.072 8.072 8.001 0.071 18227 12423 1 36 . 1 1 8 8 ASP N N 8 117.963 117.963 124.199 -6.236 18227 12424 1 36 . 1 1 8 8 ASP HA H 8 4.777 4.777 3.946 0.831 18227 12425 1 36 . 1 1 8 8 ASP C C 8 174.919 174.919 176.166 -1.247 18227 12426 1 36 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.823 -1.243 18227 12427 1 36 . 1 1 8 8 ASP CB C 8 37.723 37.723 39.965 -2.242 18227 12428 1 36 . 1 1 8 8 ASP H H 8 8.184 8.184 8.395 -0.211 18227 12429 1 36 . 1 1 9 9 ASN N N 9 117.736 117.736 115.222 2.514 18227 12430 1 36 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.218 0.572 18227 12431 1 36 . 1 1 9 9 ASN C C 9 174.974 174.974 176.647 -1.673 18227 12432 1 36 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.770 -2.034 18227 12433 1 36 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.232 0.338 18227 12434 1 36 . 1 1 9 9 ASN H H 9 8.080 8.080 7.959 0.121 18227 12435 1 36 . 1 1 10 10 TYR N N 10 119.580 119.580 114.943 4.637 18227 12436 1 36 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.474 0.152 18227 12437 1 36 . 1 1 10 10 TYR C C 10 175.935 175.935 175.145 0.790 18227 12438 1 36 . 1 1 10 10 TYR CA C 10 58.779 58.779 58.217 0.562 18227 12439 1 36 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.216 2.298 18227 12440 1 36 . 1 1 10 10 TYR H H 10 7.869 7.869 7.522 0.347 18227 12441 1 36 . 1 1 11 11 TYR N N 11 120.254 120.254 119.790 0.464 18227 12442 1 36 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.601 0.018 18227 12443 1 36 . 1 1 11 11 TYR C C 11 176.666 176.666 174.889 1.777 18227 12444 1 36 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.281 0.575 18227 12445 1 36 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.824 -1.336 18227 12446 1 36 . 1 1 11 11 TYR H H 11 7.906 7.906 8.037 -0.131 18227 12447 1 36 . 1 1 12 12 GLY N N 12 108.226 108.226 105.695 2.531 18227 12448 1 36 . 1 1 12 12 GLY C C 12 174.314 174.314 173.275 1.039 18227 12449 1 36 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.732 0.048 18227 12450 1 36 . 1 1 12 12 GLY H H 12 7.817 7.817 7.792 0.025 18227 12451 1 36 . 1 1 13 13 ALA N N 13 122.970 122.970 122.814 0.156 18227 12452 1 36 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.774 -0.304 18227 12453 1 36 . 1 1 13 13 ALA C C 13 178.137 178.137 178.084 0.053 18227 12454 1 36 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.093 1.357 18227 12455 1 36 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.093 -1.409 18227 12456 1 36 . 1 1 13 13 ALA H H 13 7.913 7.913 7.728 0.185 18227 12457 1 36 . 1 1 14 14 ASP N N 14 116.374 116.374 119.784 -3.410 18227 12458 1 36 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.529 0.346 18227 12459 1 36 . 1 1 14 14 ASP C C 14 175.450 175.450 177.346 -1.896 18227 12460 1 36 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.180 -2.540 18227 12461 1 36 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.694 -2.832 18227 12462 1 36 . 1 1 14 14 ASP H H 14 8.348 8.348 8.495 -0.147 18227 12463 1 36 . 1 1 15 15 ASN N N 15 118.423 118.423 116.966 1.457 18227 12464 1 36 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.519 0.351 18227 12465 1 36 . 1 1 15 15 ASN C C 15 176.054 176.054 176.068 -0.014 18227 12466 1 36 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.627 -1.200 18227 12467 1 36 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.489 0.193 18227 12468 1 36 . 1 1 15 15 ASN H H 15 8.272 8.272 8.612 -0.340 18227 12469 1 36 . 1 1 16 16 GLN N N 16 120.129 120.129 114.541 5.588 18227 12470 1 36 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.394 0.022 18227 12471 1 36 . 1 1 16 16 GLN C C 16 177.337 177.337 176.353 0.984 18227 12472 1 36 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.241 1.015 18227 12473 1 36 . 1 1 16 16 GLN CB C 16 28.784 28.784 29.346 -0.562 18227 12474 1 36 . 1 1 16 16 GLN H H 16 8.481 8.481 7.810 0.671 18227 12475 1 36 . 1 1 17 17 SER N N 17 115.051 115.051 116.606 -1.555 18227 12476 1 36 . 1 1 17 17 SER HA H 17 4.505 4.505 4.817 -0.312 18227 12477 1 36 . 1 1 17 17 SER C C 17 175.596 175.596 176.061 -0.465 18227 12478 1 36 . 1 1 17 17 SER CA C 17 60.767 60.767 59.237 1.530 18227 12479 1 36 . 1 1 17 17 SER CB C 17 63.325 63.325 64.287 -0.961 18227 12480 1 36 . 1 1 17 17 SER H H 17 8.380 8.380 8.257 0.123 18227 12481 1 36 . 1 1 18 18 GLU N N 18 120.901 120.901 121.665 -0.764 18227 12482 1 36 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.071 0.388 18227 12483 1 36 . 1 1 18 18 GLU C C 18 177.867 177.867 177.179 0.688 18227 12484 1 36 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.025 -0.802 18227 12485 1 36 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.007 -0.942 18227 12486 1 36 . 1 1 18 18 GLU H H 18 8.233 8.233 8.832 -0.599 18227 12487 1 36 . 1 1 19 19 CYS N N 19 118.899 118.899 116.895 2.004 18227 12488 1 36 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.597 -0.121 18227 12489 1 36 . 1 1 19 19 CYS C C 19 175.896 175.896 175.925 -0.029 18227 12490 1 36 . 1 1 19 19 CYS CA C 19 61.262 61.262 58.621 2.641 18227 12491 1 36 . 1 1 19 19 CYS CB C 19 27.059 27.059 28.806 -1.747 18227 12492 1 36 . 1 1 19 19 CYS H H 19 8.245 8.245 8.097 0.148 18227 12493 1 36 . 1 1 20 20 GLU N N 20 120.324 120.324 121.092 -0.768 18227 12494 1 36 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.247 0.080 18227 12495 1 36 . 1 1 20 20 GLU C C 20 177.163 177.163 178.190 -1.027 18227 12496 1 36 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.962 0.410 18227 12497 1 36 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.644 -1.600 18227 12498 1 36 . 1 1 20 20 GLU H H 20 8.299 8.299 7.863 0.436 18227 12499 1 36 . 1 1 21 21 TYR N N 21 118.601 118.601 122.503 -3.902 18227 12500 1 36 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.285 0.320 18227 12501 1 36 . 1 1 21 21 TYR C C 21 177.166 177.166 177.424 -0.258 18227 12502 1 36 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.607 -2.201 18227 12503 1 36 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.443 0.035 18227 12504 1 36 . 1 1 21 21 TYR H H 21 8.165 8.165 9.018 -0.853 18227 12505 1 36 . 1 1 22 22 THR N N 22 112.362 112.362 111.299 1.063 18227 12506 1 36 . 1 1 22 22 THR HA H 22 4.203 4.203 4.025 0.178 18227 12507 1 36 . 1 1 22 22 THR C C 22 176.226 176.226 174.867 1.359 18227 12508 1 36 . 1 1 22 22 THR CA C 22 64.825 64.825 64.189 0.636 18227 12509 1 36 . 1 1 22 22 THR CB C 22 69.471 69.471 68.118 1.353 18227 12510 1 36 . 1 1 22 22 THR H H 22 8.063 8.063 8.256 -0.193 18227 12511 1 36 . 1 1 23 23 ASP N N 23 121.414 121.414 121.860 -0.446 18227 12512 1 36 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.653 0.090 18227 12513 1 36 . 1 1 23 23 ASP C C 23 176.664 176.664 177.587 -0.923 18227 12514 1 36 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.119 -0.960 18227 12515 1 36 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.563 -4.088 18227 12516 1 36 . 1 1 23 23 ASP H H 23 8.355 8.355 8.155 0.200 18227 12517 1 36 . 1 1 24 24 TRP N N 24 121.858 121.858 123.256 -1.398 18227 12518 1 36 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.068 0.572 18227 12519 1 36 . 1 1 24 24 TRP C C 24 178.311 178.311 177.520 0.791 18227 12520 1 36 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.309 -1.665 18227 12521 1 36 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.253 -0.510 18227 12522 1 36 . 1 1 24 24 TRP H H 24 8.363 8.363 8.704 -0.341 18227 12523 1 36 . 1 1 25 25 LYS N N 25 120.099 120.099 117.192 2.907 18227 12524 1 36 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.354 1.722 18227 12525 1 36 . 1 1 25 25 LYS C C 25 177.946 177.946 177.761 0.185 18227 12526 1 36 . 1 1 25 25 LYS CA C 25 58.134 58.134 57.927 0.207 18227 12527 1 36 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.446 0.824 18227 12528 1 36 . 1 1 25 25 LYS H H 25 8.291 8.291 7.379 0.912 18227 12529 1 36 . 1 1 26 26 SER N N 26 113.558 113.558 112.900 0.658 18227 12530 1 36 . 1 1 26 26 SER HA H 26 4.541 4.541 4.313 0.228 18227 12531 1 36 . 1 1 26 26 SER C C 26 175.212 175.212 175.759 -0.547 18227 12532 1 36 . 1 1 26 26 SER CA C 26 59.813 59.813 60.209 -0.396 18227 12533 1 36 . 1 1 26 26 SER CB C 26 63.672 63.672 64.290 -0.618 18227 12534 1 36 . 1 1 26 26 SER H H 26 8.088 8.088 7.923 0.165 18227 12535 1 36 . 1 1 27 27 SER N N 27 116.456 116.456 116.284 0.172 18227 12536 1 36 . 1 1 27 27 SER HA H 27 4.534 4.534 4.429 0.105 18227 12537 1 36 . 1 1 27 27 SER C C 27 175.216 175.216 174.708 0.508 18227 12538 1 36 . 1 1 27 27 SER CA C 27 60.042 60.042 59.368 0.674 18227 12539 1 36 . 1 1 27 27 SER CB C 27 63.782 63.782 63.114 0.668 18227 12540 1 36 . 1 1 27 27 SER H H 27 8.025 8.025 8.426 -0.401 18227 12541 1 36 . 1 1 28 28 GLY N N 28 108.769 108.769 107.080 1.689 18227 12542 1 36 . 1 1 28 28 GLY C C 28 174.198 174.198 172.744 1.454 18227 12543 1 36 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.497 1.378 18227 12544 1 36 . 1 1 28 28 GLY H H 28 8.051 8.051 7.892 0.159 18227 12545 1 36 . 1 1 29 29 ALA N N 29 121.719 121.719 121.307 0.412 18227 12546 1 36 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.461 -0.050 18227 12547 1 36 . 1 1 29 29 ALA C C 29 177.554 177.554 176.641 0.913 18227 12548 1 36 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.303 -0.218 18227 12549 1 36 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.444 -0.669 18227 12550 1 36 . 1 1 29 29 ALA H H 29 7.749 7.749 7.683 0.066 18227 12551 1 36 . 1 1 30 30 LEU N N 30 118.220 118.220 113.844 4.376 18227 12552 1 36 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.536 0.010 18227 12553 1 36 . 1 1 30 30 LEU C C 30 176.978 176.978 177.643 -0.665 18227 12554 1 36 . 1 1 30 30 LEU CA C 30 55.667 55.667 56.017 -0.350 18227 12555 1 36 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.133 0.623 18227 12556 1 36 . 1 1 30 30 LEU H H 30 7.660 7.660 7.573 0.087 18227 12557 1 36 . 1 1 31 31 ILE N N 31 118.934 118.934 119.992 -1.058 18227 12558 1 36 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.177 0.208 18227 12559 1 36 . 1 1 31 31 ILE C C 31 175.025 175.025 174.900 0.125 18227 12560 1 36 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.795 -3.119 18227 12561 1 36 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.541 2.030 18227 12562 1 36 . 1 1 31 31 ILE H H 31 7.446 7.446 8.244 -0.798 18227 12563 1 36 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.299 0.180 18227 12564 1 36 . 1 1 32 32 PRO C C 32 177.601 177.601 178.101 -0.500 18227 12565 1 36 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.439 -0.119 18227 12566 1 36 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.839 0.396 18227 12567 1 36 . 1 1 33 33 ALA N N 33 118.822 118.822 121.504 -2.682 18227 12568 1 36 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.122 0.245 18227 12569 1 36 . 1 1 33 33 ALA C C 33 179.269 179.269 179.670 -0.401 18227 12570 1 36 . 1 1 33 33 ALA CA C 33 54.817 54.817 54.967 -0.150 18227 12571 1 36 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.398 -0.506 18227 12572 1 36 . 1 1 33 33 ALA H H 33 7.293 7.293 7.420 -0.127 18227 12573 1 36 . 1 1 34 34 ILE N N 34 116.953 116.953 119.493 -2.540 18227 12574 1 36 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.613 0.477 18227 12575 1 36 . 1 1 34 34 ILE C C 34 177.061 177.061 177.877 -0.816 18227 12576 1 36 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.191 -1.206 18227 12577 1 36 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.989 0.130 18227 12578 1 36 . 1 1 34 34 ILE H H 34 7.766 7.766 7.824 -0.058 18227 12579 1 36 . 1 1 35 35 TYR N N 35 118.432 118.432 119.097 -0.665 18227 12580 1 36 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.978 0.390 18227 12581 1 36 . 1 1 35 35 TYR C C 35 178.052 178.052 177.864 0.188 18227 12582 1 36 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.273 -1.151 18227 12583 1 36 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.121 -0.185 18227 12584 1 36 . 1 1 35 35 TYR H H 35 7.988 7.988 7.911 0.077 18227 12585 1 36 . 1 1 36 36 MET N N 36 117.042 117.042 117.454 -0.412 18227 12586 1 36 . 1 1 36 36 MET HA H 36 4.534 4.534 4.241 0.293 18227 12587 1 36 . 1 1 36 36 MET C C 36 177.734 177.734 178.344 -0.610 18227 12588 1 36 . 1 1 36 36 MET CA C 36 58.272 58.272 58.074 0.198 18227 12589 1 36 . 1 1 36 36 MET CB C 36 31.979 31.979 31.915 0.064 18227 12590 1 36 . 1 1 36 36 MET H H 36 7.934 7.934 7.959 -0.025 18227 12591 1 36 . 1 1 37 37 LEU N N 37 120.539 120.539 120.429 0.110 18227 12592 1 36 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.114 0.229 18227 12593 1 36 . 1 1 37 37 LEU C C 37 178.746 178.746 179.692 -0.946 18227 12594 1 36 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.480 0.233 18227 12595 1 36 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.026 0.012 18227 12596 1 36 . 1 1 37 37 LEU H H 37 8.013 8.013 7.668 0.344 18227 12597 1 36 . 1 1 38 38 VAL N N 38 117.729 117.729 116.803 0.926 18227 12598 1 36 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.703 0.074 18227 12599 1 36 . 1 1 38 38 VAL C C 38 179.009 179.009 176.147 2.862 18227 12600 1 36 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.282 1.917 18227 12601 1 36 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.518 0.147 18227 12602 1 36 . 1 1 38 38 VAL H H 38 8.360 8.360 8.788 -0.428 18227 12603 1 36 . 1 1 39 39 PHE N N 39 120.549 120.549 121.318 -0.769 18227 12604 1 36 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.643 -0.218 18227 12605 1 36 . 1 1 39 39 PHE C C 39 179.129 179.129 177.033 2.096 18227 12606 1 36 . 1 1 39 39 PHE CA C 39 61.522 61.522 60.289 1.233 18227 12607 1 36 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.267 -2.164 18227 12608 1 36 . 1 1 39 39 PHE H H 39 8.225 8.225 7.802 0.423 18227 12609 1 36 . 1 1 40 40 LEU N N 40 122.778 122.778 116.199 6.579 18227 12610 1 36 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.398 -0.231 18227 12611 1 36 . 1 1 40 40 LEU C C 40 180.673 180.673 176.854 3.819 18227 12612 1 36 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.873 1.765 18227 12613 1 36 . 1 1 40 40 LEU CB C 40 42.164 42.164 42.437 -0.273 18227 12614 1 36 . 1 1 40 40 LEU H H 40 8.874 8.874 8.830 0.044 18227 12615 1 36 . 1 1 41 41 LEU N N 41 122.144 122.144 117.704 4.440 18227 12616 1 36 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.485 -0.249 18227 12617 1 36 . 1 1 41 41 LEU C C 41 180.709 180.709 176.837 3.872 18227 12618 1 36 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.452 4.018 18227 12619 1 36 . 1 1 41 41 LEU CB C 41 41.778 41.778 41.781 -0.003 18227 12620 1 36 . 1 1 41 41 LEU H H 41 9.193 9.193 7.642 1.551 18227 12621 1 36 . 1 1 42 42 GLY N N 42 107.124 107.124 106.425 0.699 18227 12622 1 36 . 1 1 42 42 GLY C C 42 176.537 176.537 174.826 1.711 18227 12623 1 36 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.026 0.707 18227 12624 1 36 . 1 1 42 42 GLY H H 42 8.755 8.755 7.440 1.315 18227 12625 1 36 . 1 1 43 43 THR N N 43 113.411 113.411 115.858 -2.447 18227 12626 1 36 . 1 1 43 43 THR HA H 43 4.299 4.299 4.562 -0.263 18227 12627 1 36 . 1 1 43 43 THR C C 43 176.797 176.797 173.948 2.849 18227 12628 1 36 . 1 1 43 43 THR CA C 43 64.990 64.990 61.723 3.267 18227 12629 1 36 . 1 1 43 43 THR CB C 43 69.731 69.731 69.629 0.102 18227 12630 1 36 . 1 1 43 43 THR H H 43 8.179 8.179 7.546 0.633 18227 12631 1 36 . 1 1 44 44 THR N N 44 114.667 114.667 115.627 -0.960 18227 12632 1 36 . 1 1 44 44 THR HA H 44 4.366 4.366 4.310 0.056 18227 12633 1 36 . 1 1 44 44 THR C C 44 176.375 176.375 175.093 1.282 18227 12634 1 36 . 1 1 44 44 THR CA C 44 64.833 64.833 63.975 0.858 18227 12635 1 36 . 1 1 44 44 THR CB C 44 69.988 69.988 70.047 -0.059 18227 12636 1 36 . 1 1 44 44 THR H H 44 8.026 8.026 7.642 0.384 18227 12637 1 36 . 1 1 45 45 GLY N N 45 109.336 109.336 109.950 -0.614 18227 12638 1 36 . 1 1 45 45 GLY C C 45 174.924 174.924 175.147 -0.223 18227 12639 1 36 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.287 1.440 18227 12640 1 36 . 1 1 45 45 GLY H H 45 8.261 8.261 8.676 -0.415 18227 12641 1 36 . 1 1 46 46 ASN N N 46 117.547 117.547 120.490 -2.943 18227 12642 1 36 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.387 0.352 18227 12643 1 36 . 1 1 46 46 ASN C C 46 176.815 176.815 176.914 -0.099 18227 12644 1 36 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.992 -0.642 18227 12645 1 36 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.348 0.145 18227 12646 1 36 . 1 1 46 46 ASN H H 46 8.083 8.083 8.265 -0.182 18227 12647 1 36 . 1 1 47 47 GLY N N 47 106.960 106.960 108.815 -1.855 18227 12648 1 36 . 1 1 47 47 GLY C C 47 175.001 175.001 176.190 -1.189 18227 12649 1 36 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.581 0.405 18227 12650 1 36 . 1 1 47 47 GLY H H 47 8.318 8.318 8.234 0.084 18227 12651 1 36 . 1 1 48 48 LEU N N 48 120.991 120.991 122.207 -1.216 18227 12652 1 36 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.121 0.368 18227 12653 1 36 . 1 1 48 48 LEU C C 48 180.375 180.375 179.053 1.322 18227 12654 1 36 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.818 0.430 18227 12655 1 36 . 1 1 48 48 LEU CB C 48 42.047 42.047 42.086 -0.039 18227 12656 1 36 . 1 1 48 48 LEU H H 48 7.999 7.999 7.358 0.641 18227 12657 1 36 . 1 1 49 49 VAL N N 49 121.040 121.040 119.274 1.766 18227 12658 1 36 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.574 0.259 18227 12659 1 36 . 1 1 49 49 VAL C C 49 178.016 178.016 177.825 0.191 18227 12660 1 36 . 1 1 49 49 VAL CA C 49 67.217 67.217 67.297 -0.080 18227 12661 1 36 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.892 0.048 18227 12662 1 36 . 1 1 49 49 VAL H H 49 7.989 7.989 7.716 0.273 18227 12663 1 36 . 1 1 50 50 LEU N N 50 119.986 119.986 118.557 1.429 18227 12664 1 36 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.049 0.148 18227 12665 1 36 . 1 1 50 50 LEU C C 50 178.823 178.823 178.043 0.780 18227 12666 1 36 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.476 1.214 18227 12667 1 36 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.069 0.596 18227 12668 1 36 . 1 1 50 50 LEU H H 50 7.926 7.926 8.157 -0.231 18227 12669 1 36 . 1 1 51 51 TRP N N 51 117.842 117.842 120.839 -2.997 18227 12670 1 36 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.599 0.087 18227 12671 1 36 . 1 1 51 51 TRP C C 51 178.729 178.729 177.255 1.474 18227 12672 1 36 . 1 1 51 51 TRP CA C 51 60.380 60.380 59.629 0.751 18227 12673 1 36 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.885 -1.344 18227 12674 1 36 . 1 1 51 51 TRP H H 51 8.525 8.525 8.137 0.388 18227 12675 1 36 . 1 1 52 52 THR N N 52 114.722 114.722 116.449 -1.727 18227 12676 1 36 . 1 1 52 52 THR HA H 52 4.007 4.007 3.562 0.445 18227 12677 1 36 . 1 1 52 52 THR C C 52 176.228 176.228 176.516 -0.288 18227 12678 1 36 . 1 1 52 52 THR CA C 52 67.517 67.517 66.721 0.796 18227 12679 1 36 . 1 1 52 52 THR CB C 52 69.051 69.051 69.380 -0.329 18227 12680 1 36 . 1 1 52 52 THR H H 52 8.248 8.248 8.302 -0.054 18227 12681 1 36 . 1 1 53 53 VAL N N 53 123.008 123.008 121.616 1.392 18227 12682 1 36 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.761 -0.013 18227 12683 1 36 . 1 1 53 53 VAL C C 53 178.474 178.474 177.397 1.077 18227 12684 1 36 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.329 1.126 18227 12685 1 36 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.221 0.619 18227 12686 1 36 . 1 1 53 53 VAL H H 53 8.634 8.634 8.800 -0.166 18227 12687 1 36 . 1 1 54 54 PHE N N 54 119.554 119.554 118.741 0.813 18227 12688 1 36 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.163 0.247 18227 12689 1 36 . 1 1 54 54 PHE C C 54 179.173 179.173 176.909 2.264 18227 12690 1 36 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.590 -0.503 18227 12691 1 36 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.444 0.346 18227 12692 1 36 . 1 1 54 54 PHE H H 54 8.860 8.860 8.046 0.814 18227 12693 1 36 . 1 1 55 55 ARG N N 55 118.355 118.355 116.270 2.085 18227 12694 1 36 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.175 -0.055 18227 12695 1 36 . 1 1 55 55 ARG C C 55 178.719 178.719 177.955 0.764 18227 12696 1 36 . 1 1 55 55 ARG CA C 55 58.976 58.976 58.152 0.824 18227 12697 1 36 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.329 -0.252 18227 12698 1 36 . 1 1 55 55 ARG H H 55 8.296 8.296 7.576 0.720 18227 12699 1 36 . 1 1 56 56 LYS N N 56 119.698 119.698 118.842 0.856 18227 12700 1 36 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.336 -0.043 18227 12701 1 36 . 1 1 56 56 LYS C C 56 178.742 178.742 177.698 1.044 18227 12702 1 36 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.760 0.291 18227 12703 1 36 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.452 0.319 18227 12704 1 36 . 1 1 56 56 LYS H H 56 8.377 8.377 7.506 0.871 18227 12705 1 36 . 1 1 57 57 LYS N N 57 119.104 119.104 119.448 -0.344 18227 12706 1 36 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.611 -0.266 18227 12707 1 36 . 1 1 57 57 LYS C C 57 178.311 178.311 176.968 1.343 18227 12708 1 36 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.837 1.294 18227 12709 1 36 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.366 -0.676 18227 12710 1 36 . 1 1 57 57 LYS H H 57 8.610 8.610 8.420 0.190 18227 12711 1 36 . 1 1 58 58 GLY N N 58 106.684 106.684 106.504 0.180 18227 12712 1 36 . 1 1 58 58 GLY C C 58 174.451 174.451 175.362 -0.911 18227 12713 1 36 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.764 0.149 18227 12714 1 36 . 1 1 58 58 GLY H H 58 8.154 8.154 7.938 0.216 18227 12715 1 36 . 1 1 59 59 HIS N N 59 116.995 116.995 119.776 -2.781 18227 12716 1 36 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.212 0.563 18227 12717 1 36 . 1 1 59 59 HIS C C 59 174.529 174.529 177.173 -2.644 18227 12718 1 36 . 1 1 59 59 HIS CA C 59 56.140 56.140 59.432 -3.292 18227 12719 1 36 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.848 -1.221 18227 12720 1 36 . 1 1 59 59 HIS H H 59 8.106 8.106 7.633 0.473 18227 12721 1 36 . 1 1 60 60 HIS N N 60 117.887 117.887 117.071 0.816 18227 12722 1 36 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.699 0.147 18227 12723 1 36 . 1 1 60 60 HIS C C 60 174.247 174.247 175.076 -0.829 18227 12724 1 36 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.171 -0.264 18227 12725 1 36 . 1 1 60 60 HIS CB C 60 29.050 29.050 27.395 1.655 18227 12726 1 36 . 1 1 60 60 HIS H H 60 8.425 8.425 8.471 -0.046 18227 12727 1 36 . 1 1 61 61 HIS N N 61 118.329 118.329 120.587 -2.258 18227 12728 1 36 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.302 0.571 18227 12729 1 36 . 1 1 61 61 HIS C C 61 174.139 174.139 175.590 -1.451 18227 12730 1 36 . 1 1 61 61 HIS CA C 61 55.794 55.794 58.745 -2.951 18227 12731 1 36 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.845 -1.575 18227 12732 1 36 . 1 1 61 61 HIS H H 61 8.573 8.573 8.510 0.063 18227 12733 1 36 . 1 1 62 62 HIS N N 62 118.968 118.968 114.423 4.545 18227 12734 1 36 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.406 0.469 18227 12735 1 36 . 1 1 62 62 HIS C C 62 173.827 173.827 174.576 -0.749 18227 12736 1 36 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.474 -0.706 18227 12737 1 36 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.174 -0.906 18227 12738 1 36 . 1 1 62 62 HIS H H 62 8.662 8.662 8.199 0.463 18227 12739 1 36 . 1 1 63 63 HIS N N 63 118.949 118.949 119.513 -0.564 18227 12740 1 36 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.483 0.367 18227 12741 1 36 . 1 1 63 63 HIS C C 63 173.433 173.433 174.531 -1.098 18227 12742 1 36 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.995 -0.206 18227 12743 1 36 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.078 0.384 18227 12744 1 36 . 1 1 63 63 HIS H H 63 8.518 8.518 8.538 -0.020 18227 12745 1 37 . 1 1 2 2 GLU N N 2 122.322 122.322 120.988 1.334 18227 12746 1 37 . 1 1 2 2 GLU HA H 2 4.678 4.678 3.955 0.723 18227 12747 1 37 . 1 1 2 2 GLU C C 2 175.160 175.160 174.763 0.397 18227 12748 1 37 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.548 -1.455 18227 12749 1 37 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.693 0.482 18227 12750 1 37 . 1 1 2 2 GLU H H 2 8.641 8.641 8.597 0.044 18227 12751 1 37 . 1 1 3 3 GLU N N 3 121.391 121.391 118.611 2.780 18227 12752 1 37 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.507 0.123 18227 12753 1 37 . 1 1 3 3 GLU C C 3 176.097 176.097 174.771 1.326 18227 12754 1 37 . 1 1 3 3 GLU CA C 3 56.087 56.087 55.957 0.130 18227 12755 1 37 . 1 1 3 3 GLU CB C 3 29.184 29.184 33.066 -3.882 18227 12756 1 37 . 1 1 3 3 GLU H H 3 8.448 8.448 8.071 0.377 18227 12757 1 37 . 1 1 4 4 GLY N N 4 109.002 109.002 108.372 0.630 18227 12758 1 37 . 1 1 4 4 GLY C C 4 174.407 174.407 173.058 1.349 18227 12759 1 37 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.480 -0.035 18227 12760 1 37 . 1 1 4 4 GLY H H 4 8.333 8.333 8.469 -0.136 18227 12761 1 37 . 1 1 5 5 GLY N N 5 107.419 107.419 108.398 -0.979 18227 12762 1 37 . 1 1 5 5 GLY C C 5 173.914 173.914 171.967 1.947 18227 12763 1 37 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.047 0.443 18227 12764 1 37 . 1 1 5 5 GLY H H 5 8.120 8.120 8.479 -0.359 18227 12765 1 37 . 1 1 6 6 ASP N N 6 117.918 117.918 116.603 1.315 18227 12766 1 37 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.375 0.531 18227 12767 1 37 . 1 1 6 6 ASP C C 6 175.114 175.114 174.104 1.010 18227 12768 1 37 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.815 -0.696 18227 12769 1 37 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.167 -2.208 18227 12770 1 37 . 1 1 6 6 ASP H H 6 8.204 8.204 7.823 0.381 18227 12771 1 37 . 1 1 7 7 PHE N N 7 119.801 119.801 119.037 0.764 18227 12772 1 37 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.644 0.066 18227 12773 1 37 . 1 1 7 7 PHE C C 7 175.789 175.789 174.566 1.223 18227 12774 1 37 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.700 0.976 18227 12775 1 37 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.503 -0.334 18227 12776 1 37 . 1 1 7 7 PHE H H 7 8.072 8.072 7.950 0.122 18227 12777 1 37 . 1 1 8 8 ASP N N 8 117.963 117.963 119.518 -1.555 18227 12778 1 37 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.387 0.390 18227 12779 1 37 . 1 1 8 8 ASP C C 8 174.919 174.919 175.951 -1.032 18227 12780 1 37 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.379 -0.799 18227 12781 1 37 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.547 -3.824 18227 12782 1 37 . 1 1 8 8 ASP H H 8 8.184 8.184 8.074 0.110 18227 12783 1 37 . 1 1 9 9 ASN N N 9 117.736 117.736 119.749 -2.013 18227 12784 1 37 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.570 0.220 18227 12785 1 37 . 1 1 9 9 ASN C C 9 174.974 174.974 176.252 -1.278 18227 12786 1 37 . 1 1 9 9 ASN CA C 9 53.736 53.736 55.925 -2.189 18227 12787 1 37 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.513 0.057 18227 12788 1 37 . 1 1 9 9 ASN H H 9 8.080 8.080 8.351 -0.271 18227 12789 1 37 . 1 1 10 10 TYR N N 10 119.580 119.580 113.343 6.237 18227 12790 1 37 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.623 0.003 18227 12791 1 37 . 1 1 10 10 TYR C C 10 175.935 175.935 174.898 1.037 18227 12792 1 37 . 1 1 10 10 TYR CA C 10 58.779 58.779 57.654 1.125 18227 12793 1 37 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.520 1.994 18227 12794 1 37 . 1 1 10 10 TYR H H 10 7.869 7.869 7.844 0.025 18227 12795 1 37 . 1 1 11 11 TYR N N 11 120.254 120.254 119.728 0.526 18227 12796 1 37 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.611 0.008 18227 12797 1 37 . 1 1 11 11 TYR C C 11 176.666 176.666 174.098 2.568 18227 12798 1 37 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.450 0.406 18227 12799 1 37 . 1 1 11 11 TYR CB C 11 38.488 38.488 39.628 -1.140 18227 12800 1 37 . 1 1 11 11 TYR H H 11 7.906 7.906 7.840 0.066 18227 12801 1 37 . 1 1 12 12 GLY N N 12 108.226 108.226 107.038 1.188 18227 12802 1 37 . 1 1 12 12 GLY C C 12 174.314 174.314 172.708 1.606 18227 12803 1 37 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.428 0.352 18227 12804 1 37 . 1 1 12 12 GLY H H 12 7.817 7.817 7.556 0.261 18227 12805 1 37 . 1 1 13 13 ALA N N 13 122.970 122.970 120.425 2.545 18227 12806 1 37 . 1 1 13 13 ALA HA H 13 4.470 4.470 5.076 -0.606 18227 12807 1 37 . 1 1 13 13 ALA C C 13 178.137 178.137 176.802 1.335 18227 12808 1 37 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.297 1.153 18227 12809 1 37 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.611 -1.928 18227 12810 1 37 . 1 1 13 13 ALA H H 13 7.913 7.913 7.809 0.104 18227 12811 1 37 . 1 1 14 14 ASP N N 14 116.374 116.374 119.033 -2.659 18227 12812 1 37 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.355 0.520 18227 12813 1 37 . 1 1 14 14 ASP C C 14 175.450 175.450 177.721 -2.271 18227 12814 1 37 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.210 -2.570 18227 12815 1 37 . 1 1 14 14 ASP CB C 14 37.862 37.862 39.938 -2.076 18227 12816 1 37 . 1 1 14 14 ASP H H 14 8.348 8.348 8.423 -0.075 18227 12817 1 37 . 1 1 15 15 ASN N N 15 118.423 118.423 119.167 -0.744 18227 12818 1 37 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.262 0.608 18227 12819 1 37 . 1 1 15 15 ASN C C 15 176.054 176.054 175.893 0.161 18227 12820 1 37 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.918 -1.490 18227 12821 1 37 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.088 0.594 18227 12822 1 37 . 1 1 15 15 ASN H H 15 8.272 8.272 8.775 -0.503 18227 12823 1 37 . 1 1 16 16 GLN N N 16 120.129 120.129 113.448 6.681 18227 12824 1 37 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.350 0.066 18227 12825 1 37 . 1 1 16 16 GLN C C 16 177.337 177.337 175.092 2.245 18227 12826 1 37 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.764 1.492 18227 12827 1 37 . 1 1 16 16 GLN CB C 16 28.784 28.784 27.920 0.864 18227 12828 1 37 . 1 1 16 16 GLN H H 16 8.481 8.481 8.168 0.313 18227 12829 1 37 . 1 1 17 17 SER N N 17 115.051 115.051 116.105 -1.054 18227 12830 1 37 . 1 1 17 17 SER HA H 17 4.505 4.505 4.629 -0.124 18227 12831 1 37 . 1 1 17 17 SER C C 17 175.596 175.596 176.535 -0.939 18227 12832 1 37 . 1 1 17 17 SER CA C 17 60.767 60.767 59.411 1.356 18227 12833 1 37 . 1 1 17 17 SER CB C 17 63.325 63.325 64.467 -1.142 18227 12834 1 37 . 1 1 17 17 SER H H 17 8.380 8.380 8.186 0.194 18227 12835 1 37 . 1 1 18 18 GLU N N 18 120.901 120.901 123.023 -2.122 18227 12836 1 37 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.009 0.450 18227 12837 1 37 . 1 1 18 18 GLU C C 18 177.867 177.867 179.301 -1.434 18227 12838 1 37 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.876 -1.653 18227 12839 1 37 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.553 -1.488 18227 12840 1 37 . 1 1 18 18 GLU H H 18 8.233 8.233 8.691 -0.458 18227 12841 1 37 . 1 1 19 19 CYS N N 19 118.899 118.899 115.250 3.649 18227 12842 1 37 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.263 0.213 18227 12843 1 37 . 1 1 19 19 CYS C C 19 175.896 175.896 175.753 0.143 18227 12844 1 37 . 1 1 19 19 CYS CA C 19 61.262 61.262 62.609 -1.347 18227 12845 1 37 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.816 -0.757 18227 12846 1 37 . 1 1 19 19 CYS H H 19 8.245 8.245 8.609 -0.364 18227 12847 1 37 . 1 1 20 20 GLU N N 20 120.324 120.324 116.753 3.571 18227 12848 1 37 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.637 -0.310 18227 12849 1 37 . 1 1 20 20 GLU C C 20 177.163 177.163 176.370 0.793 18227 12850 1 37 . 1 1 20 20 GLU CA C 20 58.372 58.372 55.068 3.304 18227 12851 1 37 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.548 -0.504 18227 12852 1 37 . 1 1 20 20 GLU H H 20 8.299 8.299 8.441 -0.142 18227 12853 1 37 . 1 1 21 21 TYR N N 21 118.601 118.601 123.814 -5.213 18227 12854 1 37 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.492 0.113 18227 12855 1 37 . 1 1 21 21 TYR C C 21 177.166 177.166 176.926 0.240 18227 12856 1 37 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.598 -2.192 18227 12857 1 37 . 1 1 21 21 TYR CB C 21 38.478 38.478 39.173 -0.695 18227 12858 1 37 . 1 1 21 21 TYR H H 21 8.165 8.165 8.412 -0.247 18227 12859 1 37 . 1 1 22 22 THR N N 22 112.362 112.362 111.771 0.591 18227 12860 1 37 . 1 1 22 22 THR HA H 22 4.203 4.203 4.080 0.123 18227 12861 1 37 . 1 1 22 22 THR C C 22 176.226 176.226 175.706 0.520 18227 12862 1 37 . 1 1 22 22 THR CA C 22 64.825 64.825 65.096 -0.271 18227 12863 1 37 . 1 1 22 22 THR CB C 22 69.471 69.471 68.413 1.058 18227 12864 1 37 . 1 1 22 22 THR H H 22 8.063 8.063 8.119 -0.056 18227 12865 1 37 . 1 1 23 23 ASP N N 23 121.414 121.414 119.888 1.526 18227 12866 1 37 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.686 0.057 18227 12867 1 37 . 1 1 23 23 ASP C C 23 176.664 176.664 177.572 -0.908 18227 12868 1 37 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.458 -1.299 18227 12869 1 37 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.714 -4.239 18227 12870 1 37 . 1 1 23 23 ASP H H 23 8.355 8.355 7.773 0.582 18227 12871 1 37 . 1 1 24 24 TRP N N 24 121.858 121.858 123.554 -1.696 18227 12872 1 37 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.025 0.615 18227 12873 1 37 . 1 1 24 24 TRP C C 24 178.311 178.311 177.630 0.681 18227 12874 1 37 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.946 -1.302 18227 12875 1 37 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.126 -0.383 18227 12876 1 37 . 1 1 24 24 TRP H H 24 8.363 8.363 8.503 -0.140 18227 12877 1 37 . 1 1 25 25 LYS N N 25 120.099 120.099 117.629 2.470 18227 12878 1 37 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.265 1.811 18227 12879 1 37 . 1 1 25 25 LYS C C 25 177.946 177.946 177.991 -0.045 18227 12880 1 37 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.242 -0.108 18227 12881 1 37 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.768 0.502 18227 12882 1 37 . 1 1 25 25 LYS H H 25 8.291 8.291 7.271 1.020 18227 12883 1 37 . 1 1 26 26 SER N N 26 113.558 113.558 111.073 2.485 18227 12884 1 37 . 1 1 26 26 SER HA H 26 4.541 4.541 4.320 0.221 18227 12885 1 37 . 1 1 26 26 SER C C 26 175.212 175.212 174.689 0.523 18227 12886 1 37 . 1 1 26 26 SER CA C 26 59.813 59.813 59.833 -0.020 18227 12887 1 37 . 1 1 26 26 SER CB C 26 63.672 63.672 64.905 -1.233 18227 12888 1 37 . 1 1 26 26 SER H H 26 8.088 8.088 8.076 0.012 18227 12889 1 37 . 1 1 27 27 SER N N 27 116.456 116.456 117.555 -1.099 18227 12890 1 37 . 1 1 27 27 SER HA H 27 4.534 4.534 4.502 0.032 18227 12891 1 37 . 1 1 27 27 SER C C 27 175.216 175.216 175.916 -0.700 18227 12892 1 37 . 1 1 27 27 SER CA C 27 60.042 60.042 58.342 1.700 18227 12893 1 37 . 1 1 27 27 SER CB C 27 63.782 63.782 62.834 0.948 18227 12894 1 37 . 1 1 27 27 SER H H 27 8.025 8.025 8.542 -0.517 18227 12895 1 37 . 1 1 28 28 GLY N N 28 108.769 108.769 108.631 0.138 18227 12896 1 37 . 1 1 28 28 GLY C C 28 174.198 174.198 174.325 -0.127 18227 12897 1 37 . 1 1 28 28 GLY CA C 28 45.875 45.875 45.176 0.699 18227 12898 1 37 . 1 1 28 28 GLY H H 28 8.051 8.051 7.976 0.075 18227 12899 1 37 . 1 1 29 29 ALA N N 29 121.719 121.719 122.486 -0.767 18227 12900 1 37 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.367 0.044 18227 12901 1 37 . 1 1 29 29 ALA C C 29 177.554 177.554 177.640 -0.086 18227 12902 1 37 . 1 1 29 29 ALA CA C 29 53.085 53.085 53.376 -0.291 18227 12903 1 37 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.881 -0.107 18227 12904 1 37 . 1 1 29 29 ALA H H 29 7.749 7.749 7.780 -0.031 18227 12905 1 37 . 1 1 30 30 LEU N N 30 118.220 118.220 112.429 5.791 18227 12906 1 37 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.727 -0.181 18227 12907 1 37 . 1 1 30 30 LEU C C 30 176.978 176.978 177.593 -0.615 18227 12908 1 37 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.880 -0.213 18227 12909 1 37 . 1 1 30 30 LEU CB C 30 42.756 42.756 43.245 -0.489 18227 12910 1 37 . 1 1 30 30 LEU H H 30 7.660 7.660 7.359 0.301 18227 12911 1 37 . 1 1 31 31 ILE N N 31 118.934 118.934 122.190 -3.256 18227 12912 1 37 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.179 0.206 18227 12913 1 37 . 1 1 31 31 ILE C C 31 175.025 175.025 174.589 0.436 18227 12914 1 37 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.209 -3.533 18227 12915 1 37 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.050 1.521 18227 12916 1 37 . 1 1 31 31 ILE H H 31 7.446 7.446 7.832 -0.386 18227 12917 1 37 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.237 0.242 18227 12918 1 37 . 1 1 32 32 PRO C C 32 177.601 177.601 177.865 -0.264 18227 12919 1 37 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.605 -0.285 18227 12920 1 37 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.732 0.503 18227 12921 1 37 . 1 1 33 33 ALA N N 33 118.822 118.822 121.886 -3.064 18227 12922 1 37 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.120 0.247 18227 12923 1 37 . 1 1 33 33 ALA C C 33 179.269 179.269 179.491 -0.222 18227 12924 1 37 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.257 -0.440 18227 12925 1 37 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.192 -0.300 18227 12926 1 37 . 1 1 33 33 ALA H H 33 7.293 7.293 7.517 -0.224 18227 12927 1 37 . 1 1 34 34 ILE N N 34 116.953 116.953 119.464 -2.511 18227 12928 1 37 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.724 0.366 18227 12929 1 37 . 1 1 34 34 ILE C C 34 177.061 177.061 178.145 -1.084 18227 12930 1 37 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.854 -0.869 18227 12931 1 37 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.616 0.503 18227 12932 1 37 . 1 1 34 34 ILE H H 34 7.766 7.766 7.602 0.164 18227 12933 1 37 . 1 1 35 35 TYR N N 35 118.432 118.432 120.246 -1.814 18227 12934 1 37 . 1 1 35 35 TYR HA H 35 4.368 4.368 3.971 0.397 18227 12935 1 37 . 1 1 35 35 TYR C C 35 178.052 178.052 177.931 0.121 18227 12936 1 37 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.538 -1.416 18227 12937 1 37 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.046 -0.110 18227 12938 1 37 . 1 1 35 35 TYR H H 35 7.988 7.988 8.360 -0.372 18227 12939 1 37 . 1 1 36 36 MET N N 36 117.042 117.042 117.340 -0.298 18227 12940 1 37 . 1 1 36 36 MET HA H 36 4.534 4.534 4.109 0.425 18227 12941 1 37 . 1 1 36 36 MET C C 36 177.734 177.734 178.311 -0.577 18227 12942 1 37 . 1 1 36 36 MET CA C 36 58.272 58.272 58.205 0.067 18227 12943 1 37 . 1 1 36 36 MET CB C 36 31.979 31.979 31.875 0.104 18227 12944 1 37 . 1 1 36 36 MET H H 36 7.934 7.934 7.799 0.135 18227 12945 1 37 . 1 1 37 37 LEU N N 37 120.539 120.539 120.066 0.473 18227 12946 1 37 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.057 0.286 18227 12947 1 37 . 1 1 37 37 LEU C C 37 178.746 178.746 179.223 -0.477 18227 12948 1 37 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.200 0.512 18227 12949 1 37 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.087 -0.049 18227 12950 1 37 . 1 1 37 37 LEU H H 37 8.013 8.013 7.578 0.435 18227 12951 1 37 . 1 1 38 38 VAL N N 38 117.729 117.729 116.234 1.495 18227 12952 1 37 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.773 0.004 18227 12953 1 37 . 1 1 38 38 VAL C C 38 179.009 179.009 176.920 2.089 18227 12954 1 37 . 1 1 38 38 VAL CA C 38 67.199 67.199 65.347 1.852 18227 12955 1 37 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.018 0.647 18227 12956 1 37 . 1 1 38 38 VAL H H 38 8.360 8.360 8.476 -0.116 18227 12957 1 37 . 1 1 39 39 PHE N N 39 120.549 120.549 121.056 -0.507 18227 12958 1 37 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.617 -0.192 18227 12959 1 37 . 1 1 39 39 PHE C C 39 179.129 179.129 176.325 2.804 18227 12960 1 37 . 1 1 39 39 PHE CA C 39 61.522 61.522 59.176 2.345 18227 12961 1 37 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.545 -2.442 18227 12962 1 37 . 1 1 39 39 PHE H H 39 8.225 8.225 7.980 0.245 18227 12963 1 37 . 1 1 40 40 LEU N N 40 122.778 122.778 115.575 7.203 18227 12964 1 37 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.540 -0.373 18227 12965 1 37 . 1 1 40 40 LEU C C 40 180.673 180.673 176.894 3.779 18227 12966 1 37 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.961 2.677 18227 12967 1 37 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.949 0.215 18227 12968 1 37 . 1 1 40 40 LEU H H 40 8.874 8.874 8.547 0.327 18227 12969 1 37 . 1 1 41 41 LEU N N 41 122.144 122.144 117.282 4.862 18227 12970 1 37 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.758 -0.522 18227 12971 1 37 . 1 1 41 41 LEU C C 41 180.709 180.709 177.475 3.234 18227 12972 1 37 . 1 1 41 41 LEU CA C 41 58.470 58.470 55.864 2.606 18227 12973 1 37 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.803 -1.026 18227 12974 1 37 . 1 1 41 41 LEU H H 41 9.193 9.193 7.329 1.864 18227 12975 1 37 . 1 1 42 42 GLY N N 42 107.124 107.124 106.501 0.623 18227 12976 1 37 . 1 1 42 42 GLY C C 42 176.537 176.537 174.504 2.033 18227 12977 1 37 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.806 0.927 18227 12978 1 37 . 1 1 42 42 GLY H H 42 8.755 8.755 8.126 0.629 18227 12979 1 37 . 1 1 43 43 THR N N 43 113.411 113.411 111.612 1.799 18227 12980 1 37 . 1 1 43 43 THR HA H 43 4.299 4.299 4.378 -0.079 18227 12981 1 37 . 1 1 43 43 THR C C 43 176.797 176.797 173.482 3.315 18227 12982 1 37 . 1 1 43 43 THR CA C 43 64.990 64.990 61.544 3.446 18227 12983 1 37 . 1 1 43 43 THR CB C 43 69.731 69.731 69.477 0.255 18227 12984 1 37 . 1 1 43 43 THR H H 43 8.179 8.179 7.170 1.009 18227 12985 1 37 . 1 1 44 44 THR N N 44 114.667 114.667 116.022 -1.355 18227 12986 1 37 . 1 1 44 44 THR HA H 44 4.366 4.366 4.570 -0.204 18227 12987 1 37 . 1 1 44 44 THR C C 44 176.375 176.375 173.718 2.657 18227 12988 1 37 . 1 1 44 44 THR CA C 44 64.833 64.833 63.433 1.400 18227 12989 1 37 . 1 1 44 44 THR CB C 44 69.988 69.988 70.718 -0.730 18227 12990 1 37 . 1 1 44 44 THR H H 44 8.026 8.026 7.663 0.363 18227 12991 1 37 . 1 1 45 45 GLY N N 45 109.336 109.336 107.833 1.503 18227 12992 1 37 . 1 1 45 45 GLY C C 45 174.924 174.924 173.535 1.389 18227 12993 1 37 . 1 1 45 45 GLY CA C 45 46.727 46.727 44.824 1.903 18227 12994 1 37 . 1 1 45 45 GLY H H 45 8.261 8.261 7.614 0.647 18227 12995 1 37 . 1 1 46 46 ASN N N 46 117.547 117.547 118.903 -1.356 18227 12996 1 37 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.758 -0.019 18227 12997 1 37 . 1 1 46 46 ASN C C 46 176.815 176.815 176.502 0.313 18227 12998 1 37 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.563 0.787 18227 12999 1 37 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.836 -1.343 18227 13000 1 37 . 1 1 46 46 ASN H H 46 8.083 8.083 7.983 0.100 18227 13001 1 37 . 1 1 47 47 GLY N N 47 106.960 106.960 110.496 -3.536 18227 13002 1 37 . 1 1 47 47 GLY C C 47 175.001 175.001 176.346 -1.345 18227 13003 1 37 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.754 0.233 18227 13004 1 37 . 1 1 47 47 GLY H H 47 8.318 8.318 8.279 0.039 18227 13005 1 37 . 1 1 48 48 LEU N N 48 120.991 120.991 121.783 -0.792 18227 13006 1 37 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.274 0.215 18227 13007 1 37 . 1 1 48 48 LEU C C 48 180.375 180.375 178.948 1.427 18227 13008 1 37 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.328 0.920 18227 13009 1 37 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.624 0.423 18227 13010 1 37 . 1 1 48 48 LEU H H 48 7.999 7.999 8.131 -0.132 18227 13011 1 37 . 1 1 49 49 VAL N N 49 121.040 121.040 118.165 2.875 18227 13012 1 37 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.759 0.074 18227 13013 1 37 . 1 1 49 49 VAL C C 49 178.016 178.016 178.460 -0.444 18227 13014 1 37 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.826 0.391 18227 13015 1 37 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.250 0.690 18227 13016 1 37 . 1 1 49 49 VAL H H 49 7.989 7.989 8.027 -0.038 18227 13017 1 37 . 1 1 50 50 LEU N N 50 119.986 119.986 119.362 0.624 18227 13018 1 37 . 1 1 50 50 LEU HA H 50 4.197 4.197 4.058 0.139 18227 13019 1 37 . 1 1 50 50 LEU C C 50 178.823 178.823 179.613 -0.790 18227 13020 1 37 . 1 1 50 50 LEU CA C 50 58.690 58.690 58.012 0.678 18227 13021 1 37 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.638 0.027 18227 13022 1 37 . 1 1 50 50 LEU H H 50 7.926 7.926 7.822 0.104 18227 13023 1 37 . 1 1 51 51 TRP N N 51 117.842 117.842 121.165 -3.323 18227 13024 1 37 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.583 0.104 18227 13025 1 37 . 1 1 51 51 TRP C C 51 178.729 178.729 178.229 0.500 18227 13026 1 37 . 1 1 51 51 TRP CA C 51 60.380 60.380 61.132 -0.752 18227 13027 1 37 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.029 -0.488 18227 13028 1 37 . 1 1 51 51 TRP H H 51 8.525 8.525 8.278 0.247 18227 13029 1 37 . 1 1 52 52 THR N N 52 114.722 114.722 117.220 -2.498 18227 13030 1 37 . 1 1 52 52 THR HA H 52 4.007 4.007 3.721 0.286 18227 13031 1 37 . 1 1 52 52 THR C C 52 176.228 176.228 177.129 -0.901 18227 13032 1 37 . 1 1 52 52 THR CA C 52 67.517 67.517 67.153 0.364 18227 13033 1 37 . 1 1 52 52 THR CB C 52 69.051 69.051 68.782 0.269 18227 13034 1 37 . 1 1 52 52 THR H H 52 8.248 8.248 8.859 -0.611 18227 13035 1 37 . 1 1 53 53 VAL N N 53 123.008 123.008 121.944 1.064 18227 13036 1 37 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.661 0.087 18227 13037 1 37 . 1 1 53 53 VAL C C 53 178.474 178.474 176.867 1.607 18227 13038 1 37 . 1 1 53 53 VAL CA C 53 67.455 67.455 67.016 0.439 18227 13039 1 37 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.285 0.555 18227 13040 1 37 . 1 1 53 53 VAL H H 53 8.634 8.634 8.929 -0.295 18227 13041 1 37 . 1 1 54 54 PHE N N 54 119.554 119.554 118.415 1.139 18227 13042 1 37 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.076 0.334 18227 13043 1 37 . 1 1 54 54 PHE C C 54 179.173 179.173 176.635 2.538 18227 13044 1 37 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.589 -0.502 18227 13045 1 37 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.777 0.013 18227 13046 1 37 . 1 1 54 54 PHE H H 54 8.860 8.860 7.621 1.239 18227 13047 1 37 . 1 1 55 55 ARG N N 55 118.355 118.355 115.964 2.391 18227 13048 1 37 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.297 -0.177 18227 13049 1 37 . 1 1 55 55 ARG C C 55 178.719 178.719 176.287 2.432 18227 13050 1 37 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.803 2.174 18227 13051 1 37 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.738 -0.661 18227 13052 1 37 . 1 1 55 55 ARG H H 55 8.296 8.296 7.402 0.894 18227 13053 1 37 . 1 1 56 56 LYS N N 56 119.698 119.698 117.735 1.963 18227 13054 1 37 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.411 -0.118 18227 13055 1 37 . 1 1 56 56 LYS C C 56 178.742 178.742 176.908 1.834 18227 13056 1 37 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.864 1.187 18227 13057 1 37 . 1 1 56 56 LYS CB C 56 32.771 32.771 34.173 -1.402 18227 13058 1 37 . 1 1 56 56 LYS H H 56 8.377 8.377 8.213 0.164 18227 13059 1 37 . 1 1 57 57 LYS N N 57 119.104 119.104 120.421 -1.317 18227 13060 1 37 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.359 -0.014 18227 13061 1 37 . 1 1 57 57 LYS C C 57 178.311 178.311 177.246 1.065 18227 13062 1 37 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.868 0.264 18227 13063 1 37 . 1 1 57 57 LYS CB C 57 32.690 32.690 34.140 -1.450 18227 13064 1 37 . 1 1 57 57 LYS H H 57 8.610 8.610 8.422 0.188 18227 13065 1 37 . 1 1 58 58 GLY N N 58 106.684 106.684 106.688 -0.004 18227 13066 1 37 . 1 1 58 58 GLY C C 58 174.451 174.451 175.665 -1.214 18227 13067 1 37 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.477 -0.564 18227 13068 1 37 . 1 1 58 58 GLY H H 58 8.154 8.154 7.586 0.568 18227 13069 1 37 . 1 1 59 59 HIS N N 59 116.995 116.995 117.986 -0.991 18227 13070 1 37 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.473 0.302 18227 13071 1 37 . 1 1 59 59 HIS C C 59 174.529 174.529 174.698 -0.169 18227 13072 1 37 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.950 -1.810 18227 13073 1 37 . 1 1 59 59 HIS CB C 59 28.627 28.627 30.228 -1.601 18227 13074 1 37 . 1 1 59 59 HIS H H 59 8.106 8.106 8.052 0.054 18227 13075 1 37 . 1 1 60 60 HIS N N 60 117.887 117.887 117.028 0.859 18227 13076 1 37 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.465 0.381 18227 13077 1 37 . 1 1 60 60 HIS C C 60 174.247 174.247 174.805 -0.558 18227 13078 1 37 . 1 1 60 60 HIS CA C 60 55.907 55.907 54.215 1.692 18227 13079 1 37 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.718 -1.667 18227 13080 1 37 . 1 1 60 60 HIS H H 60 8.425 8.425 7.616 0.809 18227 13081 1 37 . 1 1 61 61 HIS N N 61 118.329 118.329 125.785 -7.456 18227 13082 1 37 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.215 0.658 18227 13083 1 37 . 1 1 61 61 HIS C C 61 174.139 174.139 174.512 -0.373 18227 13084 1 37 . 1 1 61 61 HIS CA C 61 55.794 55.794 58.029 -2.235 18227 13085 1 37 . 1 1 61 61 HIS CB C 61 29.270 29.270 29.698 -0.428 18227 13086 1 37 . 1 1 61 61 HIS H H 61 8.573 8.573 7.975 0.598 18227 13087 1 37 . 1 1 62 62 HIS N N 62 118.968 118.968 114.620 4.348 18227 13088 1 37 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.460 0.415 18227 13089 1 37 . 1 1 62 62 HIS C C 62 173.827 173.827 175.646 -1.819 18227 13090 1 37 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.700 -0.932 18227 13091 1 37 . 1 1 62 62 HIS CB C 62 29.268 29.268 31.472 -2.204 18227 13092 1 37 . 1 1 62 62 HIS H H 62 8.662 8.662 8.255 0.407 18227 13093 1 37 . 1 1 63 63 HIS N N 63 118.949 118.949 119.611 -0.662 18227 13094 1 37 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.840 0.010 18227 13095 1 37 . 1 1 63 63 HIS C C 63 173.433 173.433 175.129 -1.696 18227 13096 1 37 . 1 1 63 63 HIS CA C 63 55.789 55.789 54.986 0.803 18227 13097 1 37 . 1 1 63 63 HIS CB C 63 29.462 29.462 27.875 1.587 18227 13098 1 37 . 1 1 63 63 HIS H H 63 8.518 8.518 8.649 -0.131 18227 13099 1 38 . 1 1 2 2 GLU N N 2 122.322 122.322 121.713 0.609 18227 13100 1 38 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.492 0.186 18227 13101 1 38 . 1 1 2 2 GLU C C 2 175.160 175.160 175.986 -0.826 18227 13102 1 38 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.410 -0.317 18227 13103 1 38 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.191 -1.016 18227 13104 1 38 . 1 1 2 2 GLU H H 2 8.641 8.641 8.255 0.386 18227 13105 1 38 . 1 1 3 3 GLU N N 3 121.391 121.391 119.398 1.993 18227 13106 1 38 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.023 0.607 18227 13107 1 38 . 1 1 3 3 GLU C C 3 176.097 176.097 175.427 0.670 18227 13108 1 38 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.916 -0.829 18227 13109 1 38 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.360 -1.176 18227 13110 1 38 . 1 1 3 3 GLU H H 3 8.448 8.448 8.520 -0.072 18227 13111 1 38 . 1 1 4 4 GLY N N 4 109.002 109.002 105.580 3.422 18227 13112 1 38 . 1 1 4 4 GLY C C 4 174.407 174.407 172.864 1.543 18227 13113 1 38 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.754 0.691 18227 13114 1 38 . 1 1 4 4 GLY H H 4 8.333 8.333 8.306 0.027 18227 13115 1 38 . 1 1 5 5 GLY N N 5 107.419 107.419 107.433 -0.014 18227 13116 1 38 . 1 1 5 5 GLY C C 5 173.914 173.914 173.546 0.368 18227 13117 1 38 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.732 -0.242 18227 13118 1 38 . 1 1 5 5 GLY H H 5 8.120 8.120 8.164 -0.044 18227 13119 1 38 . 1 1 6 6 ASP N N 6 117.918 117.918 118.611 -0.693 18227 13120 1 38 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.313 0.593 18227 13121 1 38 . 1 1 6 6 ASP C C 6 175.114 175.114 174.981 0.133 18227 13122 1 38 . 1 1 6 6 ASP CA C 6 53.119 53.119 54.427 -1.308 18227 13123 1 38 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.200 -2.241 18227 13124 1 38 . 1 1 6 6 ASP H H 6 8.204 8.204 8.254 -0.050 18227 13125 1 38 . 1 1 7 7 PHE N N 7 119.801 119.801 120.045 -0.244 18227 13126 1 38 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.633 0.077 18227 13127 1 38 . 1 1 7 7 PHE C C 7 175.789 175.789 174.022 1.767 18227 13128 1 38 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.608 1.068 18227 13129 1 38 . 1 1 7 7 PHE CB C 7 39.169 39.169 40.031 -0.862 18227 13130 1 38 . 1 1 7 7 PHE H H 7 8.072 8.072 7.846 0.226 18227 13131 1 38 . 1 1 8 8 ASP N N 8 117.963 117.963 119.855 -1.892 18227 13132 1 38 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.716 0.061 18227 13133 1 38 . 1 1 8 8 ASP C C 8 174.919 174.919 175.220 -0.301 18227 13134 1 38 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.539 0.041 18227 13135 1 38 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.132 -3.409 18227 13136 1 38 . 1 1 8 8 ASP H H 8 8.184 8.184 8.328 -0.144 18227 13137 1 38 . 1 1 9 9 ASN N N 9 117.736 117.736 117.416 0.320 18227 13138 1 38 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.425 0.365 18227 13139 1 38 . 1 1 9 9 ASN C C 9 174.974 174.974 174.871 0.103 18227 13140 1 38 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.209 -0.473 18227 13141 1 38 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.799 -0.229 18227 13142 1 38 . 1 1 9 9 ASN H H 9 8.080 8.080 7.859 0.221 18227 13143 1 38 . 1 1 10 10 TYR N N 10 119.580 119.580 118.314 1.266 18227 13144 1 38 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.084 0.542 18227 13145 1 38 . 1 1 10 10 TYR C C 10 175.935 175.935 174.452 1.483 18227 13146 1 38 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.349 -0.570 18227 13147 1 38 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.844 1.670 18227 13148 1 38 . 1 1 10 10 TYR H H 10 7.869 7.869 8.418 -0.549 18227 13149 1 38 . 1 1 11 11 TYR N N 11 120.254 120.254 121.065 -0.811 18227 13150 1 38 . 1 1 11 11 TYR HA H 11 4.619 4.619 3.943 0.676 18227 13151 1 38 . 1 1 11 11 TYR C C 11 176.666 176.666 174.505 2.161 18227 13152 1 38 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.583 0.273 18227 13153 1 38 . 1 1 11 11 TYR CB C 11 38.488 38.488 36.793 1.695 18227 13154 1 38 . 1 1 11 11 TYR H H 11 7.906 7.906 8.358 -0.452 18227 13155 1 38 . 1 1 12 12 GLY N N 12 108.226 108.226 105.788 2.438 18227 13156 1 38 . 1 1 12 12 GLY C C 12 174.314 174.314 173.563 0.751 18227 13157 1 38 . 1 1 12 12 GLY CA C 12 45.780 45.780 46.127 -0.347 18227 13158 1 38 . 1 1 12 12 GLY H H 12 7.817 7.817 7.845 -0.028 18227 13159 1 38 . 1 1 13 13 ALA N N 13 122.970 122.970 122.489 0.481 18227 13160 1 38 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.413 0.057 18227 13161 1 38 . 1 1 13 13 ALA C C 13 178.137 178.137 177.417 0.720 18227 13162 1 38 . 1 1 13 13 ALA CA C 13 53.450 53.450 53.921 -0.471 18227 13163 1 38 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.382 -0.699 18227 13164 1 38 . 1 1 13 13 ALA H H 13 7.913 7.913 7.840 0.073 18227 13165 1 38 . 1 1 14 14 ASP N N 14 116.374 116.374 116.298 0.076 18227 13166 1 38 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.378 0.497 18227 13167 1 38 . 1 1 14 14 ASP C C 14 175.450 175.450 176.675 -1.225 18227 13168 1 38 . 1 1 14 14 ASP CA C 14 53.640 53.640 54.614 -0.974 18227 13169 1 38 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.546 -2.684 18227 13170 1 38 . 1 1 14 14 ASP H H 14 8.348 8.348 8.337 0.011 18227 13171 1 38 . 1 1 15 15 ASN N N 15 118.423 118.423 119.441 -1.018 18227 13172 1 38 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.243 0.627 18227 13173 1 38 . 1 1 15 15 ASN C C 15 176.054 176.054 175.754 0.300 18227 13174 1 38 . 1 1 15 15 ASN CA C 15 54.428 54.428 56.150 -1.722 18227 13175 1 38 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.622 0.060 18227 13176 1 38 . 1 1 15 15 ASN H H 15 8.272 8.272 8.645 -0.373 18227 13177 1 38 . 1 1 16 16 GLN N N 16 120.129 120.129 114.695 5.434 18227 13178 1 38 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.411 0.005 18227 13179 1 38 . 1 1 16 16 GLN C C 16 177.337 177.337 175.787 1.550 18227 13180 1 38 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.324 1.932 18227 13181 1 38 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.328 0.456 18227 13182 1 38 . 1 1 16 16 GLN H H 16 8.481 8.481 8.288 0.193 18227 13183 1 38 . 1 1 17 17 SER N N 17 115.051 115.051 114.963 0.088 18227 13184 1 38 . 1 1 17 17 SER HA H 17 4.505 4.505 4.588 -0.083 18227 13185 1 38 . 1 1 17 17 SER C C 17 175.596 175.596 175.323 0.273 18227 13186 1 38 . 1 1 17 17 SER CA C 17 60.767 60.767 59.319 1.448 18227 13187 1 38 . 1 1 17 17 SER CB C 17 63.325 63.325 65.141 -1.816 18227 13188 1 38 . 1 1 17 17 SER H H 17 8.380 8.380 7.878 0.502 18227 13189 1 38 . 1 1 18 18 GLU N N 18 120.901 120.901 121.540 -0.639 18227 13190 1 38 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.187 0.272 18227 13191 1 38 . 1 1 18 18 GLU C C 18 177.867 177.867 178.788 -0.921 18227 13192 1 38 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.149 -0.926 18227 13193 1 38 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.743 -1.678 18227 13194 1 38 . 1 1 18 18 GLU H H 18 8.233 8.233 8.150 0.083 18227 13195 1 38 . 1 1 19 19 CYS N N 19 118.899 118.899 116.884 2.015 18227 13196 1 38 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.285 0.191 18227 13197 1 38 . 1 1 19 19 CYS C C 19 175.896 175.896 175.305 0.591 18227 13198 1 38 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.664 -0.402 18227 13199 1 38 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.453 -0.394 18227 13200 1 38 . 1 1 19 19 CYS H H 19 8.245 8.245 7.744 0.501 18227 13201 1 38 . 1 1 20 20 GLU N N 20 120.324 120.324 116.956 3.368 18227 13202 1 38 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.431 -0.104 18227 13203 1 38 . 1 1 20 20 GLU C C 20 177.163 177.163 176.758 0.405 18227 13204 1 38 . 1 1 20 20 GLU CA C 20 58.372 58.372 56.168 2.204 18227 13205 1 38 . 1 1 20 20 GLU CB C 20 28.044 28.044 28.875 -0.831 18227 13206 1 38 . 1 1 20 20 GLU H H 20 8.299 8.299 8.445 -0.146 18227 13207 1 38 . 1 1 21 21 TYR N N 21 118.601 118.601 122.684 -4.083 18227 13208 1 38 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.401 0.204 18227 13209 1 38 . 1 1 21 21 TYR C C 21 177.166 177.166 176.858 0.308 18227 13210 1 38 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.061 -1.655 18227 13211 1 38 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.642 -0.165 18227 13212 1 38 . 1 1 21 21 TYR H H 21 8.165 8.165 7.467 0.698 18227 13213 1 38 . 1 1 22 22 THR N N 22 112.362 112.362 110.777 1.585 18227 13214 1 38 . 1 1 22 22 THR HA H 22 4.203 4.203 3.405 0.798 18227 13215 1 38 . 1 1 22 22 THR C C 22 176.226 176.226 175.369 0.857 18227 13216 1 38 . 1 1 22 22 THR CA C 22 64.825 64.825 64.275 0.550 18227 13217 1 38 . 1 1 22 22 THR CB C 22 69.471 69.471 68.402 1.069 18227 13218 1 38 . 1 1 22 22 THR H H 22 8.063 8.063 7.987 0.076 18227 13219 1 38 . 1 1 23 23 ASP N N 23 121.414 121.414 121.072 0.342 18227 13220 1 38 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.588 0.155 18227 13221 1 38 . 1 1 23 23 ASP C C 23 176.664 176.664 177.403 -0.739 18227 13222 1 38 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.313 -1.154 18227 13223 1 38 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.432 -3.958 18227 13224 1 38 . 1 1 23 23 ASP H H 23 8.355 8.355 7.970 0.385 18227 13225 1 38 . 1 1 24 24 TRP N N 24 121.858 121.858 123.568 -1.710 18227 13226 1 38 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.091 0.549 18227 13227 1 38 . 1 1 24 24 TRP C C 24 178.311 178.311 177.656 0.655 18227 13228 1 38 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.162 -1.518 18227 13229 1 38 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.218 -0.475 18227 13230 1 38 . 1 1 24 24 TRP H H 24 8.363 8.363 8.423 -0.060 18227 13231 1 38 . 1 1 25 25 LYS N N 25 120.099 120.099 117.136 2.963 18227 13232 1 38 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.466 1.610 18227 13233 1 38 . 1 1 25 25 LYS C C 25 177.946 177.946 178.133 -0.187 18227 13234 1 38 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.335 -0.201 18227 13235 1 38 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.623 0.647 18227 13236 1 38 . 1 1 25 25 LYS H H 25 8.291 8.291 7.427 0.864 18227 13237 1 38 . 1 1 26 26 SER N N 26 113.558 113.558 111.945 1.613 18227 13238 1 38 . 1 1 26 26 SER HA H 26 4.541 4.541 4.442 0.099 18227 13239 1 38 . 1 1 26 26 SER C C 26 175.212 175.212 176.130 -0.918 18227 13240 1 38 . 1 1 26 26 SER CA C 26 59.813 59.813 60.055 -0.242 18227 13241 1 38 . 1 1 26 26 SER CB C 26 63.672 63.672 64.393 -0.721 18227 13242 1 38 . 1 1 26 26 SER H H 26 8.088 8.088 7.957 0.131 18227 13243 1 38 . 1 1 27 27 SER N N 27 116.456 116.456 118.732 -2.276 18227 13244 1 38 . 1 1 27 27 SER HA H 27 4.534 4.534 4.437 0.097 18227 13245 1 38 . 1 1 27 27 SER C C 27 175.216 175.216 176.623 -1.407 18227 13246 1 38 . 1 1 27 27 SER CA C 27 60.042 60.042 59.513 0.529 18227 13247 1 38 . 1 1 27 27 SER CB C 27 63.782 63.782 62.757 1.025 18227 13248 1 38 . 1 1 27 27 SER H H 27 8.025 8.025 8.570 -0.545 18227 13249 1 38 . 1 1 28 28 GLY N N 28 108.769 108.769 109.408 -0.639 18227 13250 1 38 . 1 1 28 28 GLY C C 28 174.198 174.198 174.305 -0.107 18227 13251 1 38 . 1 1 28 28 GLY CA C 28 45.875 45.875 46.276 -0.402 18227 13252 1 38 . 1 1 28 28 GLY H H 28 8.051 8.051 8.368 -0.317 18227 13253 1 38 . 1 1 29 29 ALA N N 29 121.719 121.719 122.185 -0.466 18227 13254 1 38 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.437 -0.026 18227 13255 1 38 . 1 1 29 29 ALA C C 29 177.554 177.554 177.159 0.395 18227 13256 1 38 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.613 0.472 18227 13257 1 38 . 1 1 29 29 ALA CB C 29 18.774 18.774 19.300 -0.526 18227 13258 1 38 . 1 1 29 29 ALA H H 29 7.749 7.749 7.528 0.221 18227 13259 1 38 . 1 1 30 30 LEU N N 30 118.220 118.220 110.807 7.413 18227 13260 1 38 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.726 -0.180 18227 13261 1 38 . 1 1 30 30 LEU C C 30 176.978 176.978 176.923 0.055 18227 13262 1 38 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.462 0.205 18227 13263 1 38 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.717 0.039 18227 13264 1 38 . 1 1 30 30 LEU H H 30 7.660 7.660 8.029 -0.369 18227 13265 1 38 . 1 1 31 31 ILE N N 31 118.934 118.934 123.721 -4.787 18227 13266 1 38 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.284 0.101 18227 13267 1 38 . 1 1 31 31 ILE C C 31 175.025 175.025 174.920 0.105 18227 13268 1 38 . 1 1 31 31 ILE CA C 31 62.676 62.676 64.860 -2.184 18227 13269 1 38 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.643 1.928 18227 13270 1 38 . 1 1 31 31 ILE H H 31 7.446 7.446 7.997 -0.551 18227 13271 1 38 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.239 0.240 18227 13272 1 38 . 1 1 32 32 PRO C C 32 177.601 177.601 178.138 -0.537 18227 13273 1 38 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.884 -0.564 18227 13274 1 38 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.730 0.505 18227 13275 1 38 . 1 1 33 33 ALA N N 33 118.822 118.822 121.425 -2.603 18227 13276 1 38 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.151 0.216 18227 13277 1 38 . 1 1 33 33 ALA C C 33 179.269 179.269 179.690 -0.421 18227 13278 1 38 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.030 -0.213 18227 13279 1 38 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.381 -0.489 18227 13280 1 38 . 1 1 33 33 ALA H H 33 7.293 7.293 7.585 -0.292 18227 13281 1 38 . 1 1 34 34 ILE N N 34 116.953 116.953 119.203 -2.250 18227 13282 1 38 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.717 0.373 18227 13283 1 38 . 1 1 34 34 ILE C C 34 177.061 177.061 178.194 -1.133 18227 13284 1 38 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.707 -0.722 18227 13285 1 38 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.258 0.861 18227 13286 1 38 . 1 1 34 34 ILE H H 34 7.766 7.766 7.846 -0.080 18227 13287 1 38 . 1 1 35 35 TYR N N 35 118.432 118.432 118.563 -0.131 18227 13288 1 38 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.050 0.318 18227 13289 1 38 . 1 1 35 35 TYR C C 35 178.052 178.052 178.016 0.036 18227 13290 1 38 . 1 1 35 35 TYR CA C 35 61.122 61.122 61.902 -0.780 18227 13291 1 38 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.082 -0.146 18227 13292 1 38 . 1 1 35 35 TYR H H 35 7.988 7.988 8.070 -0.082 18227 13293 1 38 . 1 1 36 36 MET N N 36 117.042 117.042 116.162 0.880 18227 13294 1 38 . 1 1 36 36 MET HA H 36 4.534 4.534 4.238 0.296 18227 13295 1 38 . 1 1 36 36 MET C C 36 177.734 177.734 178.515 -0.781 18227 13296 1 38 . 1 1 36 36 MET CA C 36 58.272 58.272 58.039 0.232 18227 13297 1 38 . 1 1 36 36 MET CB C 36 31.979 31.979 32.353 -0.374 18227 13298 1 38 . 1 1 36 36 MET H H 36 7.934 7.934 7.854 0.080 18227 13299 1 38 . 1 1 37 37 LEU N N 37 120.539 120.539 119.167 1.372 18227 13300 1 38 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.118 0.225 18227 13301 1 38 . 1 1 37 37 LEU C C 37 178.746 178.746 178.403 0.343 18227 13302 1 38 . 1 1 37 37 LEU CA C 37 58.712 58.712 57.845 0.867 18227 13303 1 38 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.189 -0.151 18227 13304 1 38 . 1 1 37 37 LEU H H 37 8.013 8.013 7.622 0.391 18227 13305 1 38 . 1 1 38 38 VAL N N 38 117.729 117.729 115.510 2.219 18227 13306 1 38 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.994 -0.217 18227 13307 1 38 . 1 1 38 38 VAL C C 38 179.009 179.009 175.762 3.247 18227 13308 1 38 . 1 1 38 38 VAL CA C 38 67.199 67.199 63.535 3.664 18227 13309 1 38 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.070 -0.405 18227 13310 1 38 . 1 1 38 38 VAL H H 38 8.360 8.360 7.958 0.402 18227 13311 1 38 . 1 1 39 39 PHE N N 39 120.549 120.549 119.638 0.911 18227 13312 1 38 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.685 -0.260 18227 13313 1 38 . 1 1 39 39 PHE C C 39 179.129 179.129 174.683 4.446 18227 13314 1 38 . 1 1 39 39 PHE CA C 39 61.522 61.522 58.275 3.247 18227 13315 1 38 . 1 1 39 39 PHE CB C 39 39.103 39.103 43.023 -3.920 18227 13316 1 38 . 1 1 39 39 PHE H H 39 8.225 8.225 8.115 0.110 18227 13317 1 38 . 1 1 40 40 LEU N N 40 122.778 122.778 114.885 7.893 18227 13318 1 38 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.757 -0.590 18227 13319 1 38 . 1 1 40 40 LEU C C 40 180.673 180.673 176.019 4.654 18227 13320 1 38 . 1 1 40 40 LEU CA C 40 58.638 58.638 55.095 3.543 18227 13321 1 38 . 1 1 40 40 LEU CB C 40 42.164 42.164 43.016 -0.852 18227 13322 1 38 . 1 1 40 40 LEU H H 40 8.874 8.874 8.290 0.584 18227 13323 1 38 . 1 1 41 41 LEU N N 41 122.144 122.144 118.003 4.141 18227 13324 1 38 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.691 -0.455 18227 13325 1 38 . 1 1 41 41 LEU C C 41 180.709 180.709 177.884 2.825 18227 13326 1 38 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.038 2.432 18227 13327 1 38 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.429 -1.651 18227 13328 1 38 . 1 1 41 41 LEU H H 41 9.193 9.193 7.426 1.767 18227 13329 1 38 . 1 1 42 42 GLY N N 42 107.124 107.124 107.531 -0.407 18227 13330 1 38 . 1 1 42 42 GLY C C 42 176.537 176.537 174.829 1.708 18227 13331 1 38 . 1 1 42 42 GLY CA C 42 46.733 46.733 46.204 0.529 18227 13332 1 38 . 1 1 42 42 GLY H H 42 8.755 8.755 8.275 0.480 18227 13333 1 38 . 1 1 43 43 THR N N 43 113.411 113.411 113.878 -0.467 18227 13334 1 38 . 1 1 43 43 THR HA H 43 4.299 4.299 4.542 -0.243 18227 13335 1 38 . 1 1 43 43 THR C C 43 176.797 176.797 173.541 3.256 18227 13336 1 38 . 1 1 43 43 THR CA C 43 64.990 64.990 61.621 3.369 18227 13337 1 38 . 1 1 43 43 THR CB C 43 69.731 69.731 69.182 0.549 18227 13338 1 38 . 1 1 43 43 THR H H 43 8.179 8.179 7.686 0.493 18227 13339 1 38 . 1 1 44 44 THR N N 44 114.667 114.667 115.930 -1.263 18227 13340 1 38 . 1 1 44 44 THR HA H 44 4.366 4.366 4.328 0.038 18227 13341 1 38 . 1 1 44 44 THR C C 44 176.375 176.375 175.387 0.988 18227 13342 1 38 . 1 1 44 44 THR CA C 44 64.833 64.833 64.245 0.588 18227 13343 1 38 . 1 1 44 44 THR CB C 44 69.988 69.988 70.311 -0.323 18227 13344 1 38 . 1 1 44 44 THR H H 44 8.026 8.026 7.616 0.410 18227 13345 1 38 . 1 1 45 45 GLY N N 45 109.336 109.336 109.310 0.026 18227 13346 1 38 . 1 1 45 45 GLY C C 45 174.924 174.924 175.164 -0.240 18227 13347 1 38 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.713 1.014 18227 13348 1 38 . 1 1 45 45 GLY H H 45 8.261 8.261 8.039 0.222 18227 13349 1 38 . 1 1 46 46 ASN N N 46 117.547 117.547 119.402 -1.855 18227 13350 1 38 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.661 0.078 18227 13351 1 38 . 1 1 46 46 ASN C C 46 176.815 176.815 177.351 -0.536 18227 13352 1 38 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.027 0.323 18227 13353 1 38 . 1 1 46 46 ASN CB C 46 38.493 38.493 37.995 0.498 18227 13354 1 38 . 1 1 46 46 ASN H H 46 8.083 8.083 7.986 0.097 18227 13355 1 38 . 1 1 47 47 GLY N N 47 106.960 106.960 107.282 -0.322 18227 13356 1 38 . 1 1 47 47 GLY C C 47 175.001 175.001 176.332 -1.331 18227 13357 1 38 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.800 0.187 18227 13358 1 38 . 1 1 47 47 GLY H H 47 8.318 8.318 8.443 -0.125 18227 13359 1 38 . 1 1 48 48 LEU N N 48 120.991 120.991 121.823 -0.832 18227 13360 1 38 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.049 0.440 18227 13361 1 38 . 1 1 48 48 LEU C C 48 180.375 180.375 178.646 1.729 18227 13362 1 38 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.650 0.598 18227 13363 1 38 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.911 0.136 18227 13364 1 38 . 1 1 48 48 LEU H H 48 7.999 7.999 7.426 0.573 18227 13365 1 38 . 1 1 49 49 VAL N N 49 121.040 121.040 118.691 2.349 18227 13366 1 38 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.665 0.168 18227 13367 1 38 . 1 1 49 49 VAL C C 49 178.016 178.016 178.029 -0.013 18227 13368 1 38 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.761 0.456 18227 13369 1 38 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.314 0.626 18227 13370 1 38 . 1 1 49 49 VAL H H 49 7.989 7.989 7.378 0.611 18227 13371 1 38 . 1 1 50 50 LEU N N 50 119.986 119.986 118.735 1.251 18227 13372 1 38 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.914 0.283 18227 13373 1 38 . 1 1 50 50 LEU C C 50 178.823 178.823 179.469 -0.646 18227 13374 1 38 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.579 1.111 18227 13375 1 38 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.091 0.574 18227 13376 1 38 . 1 1 50 50 LEU H H 50 7.926 7.926 7.847 0.079 18227 13377 1 38 . 1 1 51 51 TRP N N 51 117.842 117.842 120.753 -2.911 18227 13378 1 38 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.238 0.449 18227 13379 1 38 . 1 1 51 51 TRP C C 51 178.729 178.729 178.124 0.605 18227 13380 1 38 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.597 -0.217 18227 13381 1 38 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.999 -0.458 18227 13382 1 38 . 1 1 51 51 TRP H H 51 8.525 8.525 8.168 0.357 18227 13383 1 38 . 1 1 52 52 THR N N 52 114.722 114.722 117.141 -2.419 18227 13384 1 38 . 1 1 52 52 THR HA H 52 4.007 4.007 3.722 0.285 18227 13385 1 38 . 1 1 52 52 THR C C 52 176.228 176.228 177.040 -0.812 18227 13386 1 38 . 1 1 52 52 THR CA C 52 67.517 67.517 67.288 0.229 18227 13387 1 38 . 1 1 52 52 THR CB C 52 69.051 69.051 68.954 0.098 18227 13388 1 38 . 1 1 52 52 THR H H 52 8.248 8.248 8.601 -0.353 18227 13389 1 38 . 1 1 53 53 VAL N N 53 123.008 123.008 121.995 1.013 18227 13390 1 38 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.754 -0.006 18227 13391 1 38 . 1 1 53 53 VAL C C 53 178.474 178.474 177.288 1.186 18227 13392 1 38 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.564 0.891 18227 13393 1 38 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.307 0.533 18227 13394 1 38 . 1 1 53 53 VAL H H 53 8.634 8.634 8.906 -0.272 18227 13395 1 38 . 1 1 54 54 PHE N N 54 119.554 119.554 117.510 2.044 18227 13396 1 38 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.231 0.179 18227 13397 1 38 . 1 1 54 54 PHE C C 54 179.173 179.173 176.884 2.289 18227 13398 1 38 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.434 0.654 18227 13399 1 38 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.421 0.369 18227 13400 1 38 . 1 1 54 54 PHE H H 54 8.860 8.860 7.619 1.241 18227 13401 1 38 . 1 1 55 55 ARG N N 55 118.355 118.355 114.187 4.168 18227 13402 1 38 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.257 -0.137 18227 13403 1 38 . 1 1 55 55 ARG C C 55 178.719 178.719 175.846 2.873 18227 13404 1 38 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.039 2.937 18227 13405 1 38 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.953 -0.875 18227 13406 1 38 . 1 1 55 55 ARG H H 55 8.296 8.296 7.644 0.652 18227 13407 1 38 . 1 1 56 56 LYS N N 56 119.698 119.698 116.166 3.532 18227 13408 1 38 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.362 -0.069 18227 13409 1 38 . 1 1 56 56 LYS C C 56 178.742 178.742 177.360 1.382 18227 13410 1 38 . 1 1 56 56 LYS CA C 56 59.051 59.051 57.878 1.173 18227 13411 1 38 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.783 -1.012 18227 13412 1 38 . 1 1 56 56 LYS H H 56 8.377 8.377 7.570 0.807 18227 13413 1 38 . 1 1 57 57 LYS N N 57 119.104 119.104 120.188 -1.084 18227 13414 1 38 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.433 -0.088 18227 13415 1 38 . 1 1 57 57 LYS C C 57 178.311 178.311 177.313 0.998 18227 13416 1 38 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.751 0.381 18227 13417 1 38 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.918 -1.228 18227 13418 1 38 . 1 1 57 57 LYS H H 57 8.610 8.610 8.333 0.277 18227 13419 1 38 . 1 1 58 58 GLY N N 58 106.684 106.684 106.754 -0.070 18227 13420 1 38 . 1 1 58 58 GLY C C 58 174.451 174.451 175.199 -0.748 18227 13421 1 38 . 1 1 58 58 GLY CA C 58 45.913 45.913 45.822 0.091 18227 13422 1 38 . 1 1 58 58 GLY H H 58 8.154 8.154 7.693 0.461 18227 13423 1 38 . 1 1 59 59 HIS N N 59 116.995 116.995 118.763 -1.768 18227 13424 1 38 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.247 0.528 18227 13425 1 38 . 1 1 59 59 HIS C C 59 174.529 174.529 176.089 -1.560 18227 13426 1 38 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.019 -0.879 18227 13427 1 38 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.892 -1.265 18227 13428 1 38 . 1 1 59 59 HIS H H 59 8.106 8.106 7.886 0.220 18227 13429 1 38 . 1 1 60 60 HIS N N 60 117.887 117.887 117.219 0.668 18227 13430 1 38 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.454 0.392 18227 13431 1 38 . 1 1 60 60 HIS C C 60 174.247 174.247 174.581 -0.334 18227 13432 1 38 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.456 0.451 18227 13433 1 38 . 1 1 60 60 HIS CB C 60 29.050 29.050 27.736 1.314 18227 13434 1 38 . 1 1 60 60 HIS H H 60 8.425 8.425 8.394 0.031 18227 13435 1 38 . 1 1 61 61 HIS N N 61 118.329 118.329 120.555 -2.226 18227 13436 1 38 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.254 0.619 18227 13437 1 38 . 1 1 61 61 HIS C C 61 174.139 174.139 175.601 -1.462 18227 13438 1 38 . 1 1 61 61 HIS CA C 61 55.794 55.794 58.918 -3.124 18227 13439 1 38 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.632 -1.362 18227 13440 1 38 . 1 1 61 61 HIS H H 61 8.573 8.573 8.216 0.357 18227 13441 1 38 . 1 1 62 62 HIS N N 62 118.968 118.968 115.177 3.791 18227 13442 1 38 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.523 0.352 18227 13443 1 38 . 1 1 62 62 HIS C C 62 173.827 173.827 174.105 -0.278 18227 13444 1 38 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.686 -0.918 18227 13445 1 38 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.657 -1.389 18227 13446 1 38 . 1 1 62 62 HIS H H 62 8.662 8.662 8.348 0.314 18227 13447 1 38 . 1 1 63 63 HIS N N 63 118.949 118.949 118.956 -0.007 18227 13448 1 38 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.907 -0.057 18227 13449 1 38 . 1 1 63 63 HIS C C 63 173.433 173.433 175.265 -1.832 18227 13450 1 38 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.068 0.721 18227 13451 1 38 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.714 -0.252 18227 13452 1 38 . 1 1 63 63 HIS H H 63 8.518 8.518 8.342 0.176 18227 13453 1 39 . 1 1 2 2 GLU N N 2 122.322 122.322 122.172 0.150 18227 13454 1 39 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.614 0.064 18227 13455 1 39 . 1 1 2 2 GLU C C 2 175.160 175.160 175.955 -0.795 18227 13456 1 39 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.170 -0.077 18227 13457 1 39 . 1 1 2 2 GLU CB C 2 29.175 29.175 28.810 0.365 18227 13458 1 39 . 1 1 2 2 GLU H H 2 8.641 8.641 8.457 0.184 18227 13459 1 39 . 1 1 3 3 GLU N N 3 121.391 121.391 121.501 -0.110 18227 13460 1 39 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.230 0.400 18227 13461 1 39 . 1 1 3 3 GLU C C 3 176.097 176.097 177.209 -1.112 18227 13462 1 39 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.435 -0.348 18227 13463 1 39 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.555 -1.371 18227 13464 1 39 . 1 1 3 3 GLU H H 3 8.448 8.448 8.189 0.259 18227 13465 1 39 . 1 1 4 4 GLY N N 4 109.002 109.002 108.853 0.149 18227 13466 1 39 . 1 1 4 4 GLY C C 4 174.407 174.407 174.637 -0.230 18227 13467 1 39 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.188 0.257 18227 13468 1 39 . 1 1 4 4 GLY H H 4 8.333 8.333 8.347 -0.014 18227 13469 1 39 . 1 1 5 5 GLY N N 5 107.419 107.419 108.196 -0.777 18227 13470 1 39 . 1 1 5 5 GLY C C 5 173.914 173.914 173.636 0.278 18227 13471 1 39 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.339 0.151 18227 13472 1 39 . 1 1 5 5 GLY H H 5 8.120 8.120 7.895 0.225 18227 13473 1 39 . 1 1 6 6 ASP N N 6 117.918 117.918 121.940 -4.022 18227 13474 1 39 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.582 0.324 18227 13475 1 39 . 1 1 6 6 ASP C C 6 175.114 175.114 175.009 0.105 18227 13476 1 39 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.541 -0.422 18227 13477 1 39 . 1 1 6 6 ASP CB C 6 37.959 37.959 41.500 -3.541 18227 13478 1 39 . 1 1 6 6 ASP H H 6 8.204 8.204 8.260 -0.056 18227 13479 1 39 . 1 1 7 7 PHE N N 7 119.801 119.801 122.024 -2.223 18227 13480 1 39 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.340 0.370 18227 13481 1 39 . 1 1 7 7 PHE C C 7 175.789 175.789 175.430 0.359 18227 13482 1 39 . 1 1 7 7 PHE CA C 7 58.676 58.676 59.365 -0.689 18227 13483 1 39 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.036 0.133 18227 13484 1 39 . 1 1 7 7 PHE H H 7 8.072 8.072 8.296 -0.224 18227 13485 1 39 . 1 1 8 8 ASP N N 8 117.963 117.963 125.116 -7.153 18227 13486 1 39 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.551 0.226 18227 13487 1 39 . 1 1 8 8 ASP C C 8 174.919 174.919 176.030 -1.111 18227 13488 1 39 . 1 1 8 8 ASP CA C 8 53.580 53.580 53.138 0.442 18227 13489 1 39 . 1 1 8 8 ASP CB C 8 37.723 37.723 42.297 -4.574 18227 13490 1 39 . 1 1 8 8 ASP H H 8 8.184 8.184 8.457 -0.273 18227 13491 1 39 . 1 1 9 9 ASN N N 9 117.736 117.736 118.317 -0.581 18227 13492 1 39 . 1 1 9 9 ASN HA H 9 4.790 4.790 3.994 0.796 18227 13493 1 39 . 1 1 9 9 ASN C C 9 174.974 174.974 175.109 -0.135 18227 13494 1 39 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.333 -0.597 18227 13495 1 39 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.183 0.387 18227 13496 1 39 . 1 1 9 9 ASN H H 9 8.080 8.080 7.654 0.426 18227 13497 1 39 . 1 1 10 10 TYR N N 10 119.580 119.580 117.014 2.566 18227 13498 1 39 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.330 0.296 18227 13499 1 39 . 1 1 10 10 TYR C C 10 175.935 175.935 174.899 1.036 18227 13500 1 39 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.147 -0.368 18227 13501 1 39 . 1 1 10 10 TYR CB C 10 38.514 38.514 36.899 1.615 18227 13502 1 39 . 1 1 10 10 TYR H H 10 7.869 7.869 8.404 -0.535 18227 13503 1 39 . 1 1 11 11 TYR N N 11 120.254 120.254 114.803 5.451 18227 13504 1 39 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.097 0.522 18227 13505 1 39 . 1 1 11 11 TYR C C 11 176.666 176.666 175.448 1.218 18227 13506 1 39 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.711 0.145 18227 13507 1 39 . 1 1 11 11 TYR CB C 11 38.488 38.488 35.331 3.157 18227 13508 1 39 . 1 1 11 11 TYR H H 11 7.906 7.906 8.032 -0.126 18227 13509 1 39 . 1 1 12 12 GLY N N 12 108.226 108.226 105.080 3.146 18227 13510 1 39 . 1 1 12 12 GLY C C 12 174.314 174.314 173.858 0.456 18227 13511 1 39 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.747 0.033 18227 13512 1 39 . 1 1 12 12 GLY H H 12 7.817 7.817 8.127 -0.310 18227 13513 1 39 . 1 1 13 13 ALA N N 13 122.970 122.970 122.020 0.950 18227 13514 1 39 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.384 0.086 18227 13515 1 39 . 1 1 13 13 ALA C C 13 178.137 178.137 177.022 1.115 18227 13516 1 39 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.557 0.893 18227 13517 1 39 . 1 1 13 13 ALA CB C 13 18.683 18.683 20.073 -1.390 18227 13518 1 39 . 1 1 13 13 ALA H H 13 7.913 7.913 7.536 0.377 18227 13519 1 39 . 1 1 14 14 ASP N N 14 116.374 116.374 119.228 -2.854 18227 13520 1 39 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.320 0.555 18227 13521 1 39 . 1 1 14 14 ASP C C 14 175.450 175.450 177.489 -2.039 18227 13522 1 39 . 1 1 14 14 ASP CA C 14 53.640 53.640 56.901 -3.261 18227 13523 1 39 . 1 1 14 14 ASP CB C 14 37.862 37.862 41.221 -3.360 18227 13524 1 39 . 1 1 14 14 ASP H H 14 8.348 8.348 8.207 0.141 18227 13525 1 39 . 1 1 15 15 ASN N N 15 118.423 118.423 116.901 1.522 18227 13526 1 39 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.311 0.559 18227 13527 1 39 . 1 1 15 15 ASN C C 15 176.054 176.054 176.096 -0.042 18227 13528 1 39 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.665 -1.237 18227 13529 1 39 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.538 0.143 18227 13530 1 39 . 1 1 15 15 ASN H H 15 8.272 8.272 8.826 -0.554 18227 13531 1 39 . 1 1 16 16 GLN N N 16 120.129 120.129 115.568 4.561 18227 13532 1 39 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.342 0.074 18227 13533 1 39 . 1 1 16 16 GLN C C 16 177.337 177.337 176.548 0.789 18227 13534 1 39 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.828 1.428 18227 13535 1 39 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.583 0.201 18227 13536 1 39 . 1 1 16 16 GLN H H 16 8.481 8.481 8.220 0.261 18227 13537 1 39 . 1 1 17 17 SER N N 17 115.051 115.051 116.867 -1.816 18227 13538 1 39 . 1 1 17 17 SER HA H 17 4.505 4.505 4.657 -0.152 18227 13539 1 39 . 1 1 17 17 SER C C 17 175.596 175.596 176.513 -0.917 18227 13540 1 39 . 1 1 17 17 SER CA C 17 60.767 60.767 60.026 0.741 18227 13541 1 39 . 1 1 17 17 SER CB C 17 63.325 63.325 64.388 -1.063 18227 13542 1 39 . 1 1 17 17 SER H H 17 8.380 8.380 8.146 0.234 18227 13543 1 39 . 1 1 18 18 GLU N N 18 120.901 120.901 122.422 -1.521 18227 13544 1 39 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.015 0.444 18227 13545 1 39 . 1 1 18 18 GLU C C 18 177.867 177.867 178.915 -1.048 18227 13546 1 39 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.143 -0.920 18227 13547 1 39 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.297 -1.232 18227 13548 1 39 . 1 1 18 18 GLU H H 18 8.233 8.233 8.490 -0.257 18227 13549 1 39 . 1 1 19 19 CYS N N 19 118.899 118.899 114.275 4.624 18227 13550 1 39 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.258 0.218 18227 13551 1 39 . 1 1 19 19 CYS C C 19 175.896 175.896 175.919 -0.023 18227 13552 1 39 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.883 -0.621 18227 13553 1 39 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.609 -0.550 18227 13554 1 39 . 1 1 19 19 CYS H H 19 8.245 8.245 8.271 -0.026 18227 13555 1 39 . 1 1 20 20 GLU N N 20 120.324 120.324 119.241 1.083 18227 13556 1 39 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.262 0.065 18227 13557 1 39 . 1 1 20 20 GLU C C 20 177.163 177.163 177.953 -0.790 18227 13558 1 39 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.388 0.984 18227 13559 1 39 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.057 -1.013 18227 13560 1 39 . 1 1 20 20 GLU H H 20 8.299 8.299 8.416 -0.117 18227 13561 1 39 . 1 1 21 21 TYR N N 21 118.601 118.601 123.035 -4.434 18227 13562 1 39 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.446 0.159 18227 13563 1 39 . 1 1 21 21 TYR C C 21 177.166 177.166 176.850 0.316 18227 13564 1 39 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.135 -1.729 18227 13565 1 39 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.756 -0.278 18227 13566 1 39 . 1 1 21 21 TYR H H 21 8.165 8.165 8.648 -0.483 18227 13567 1 39 . 1 1 22 22 THR N N 22 112.362 112.362 110.692 1.670 18227 13568 1 39 . 1 1 22 22 THR HA H 22 4.203 4.203 4.293 -0.090 18227 13569 1 39 . 1 1 22 22 THR C C 22 176.226 176.226 175.428 0.798 18227 13570 1 39 . 1 1 22 22 THR CA C 22 64.825 64.825 64.077 0.748 18227 13571 1 39 . 1 1 22 22 THR CB C 22 69.471 69.471 68.661 0.810 18227 13572 1 39 . 1 1 22 22 THR H H 22 8.063 8.063 8.239 -0.176 18227 13573 1 39 . 1 1 23 23 ASP N N 23 121.414 121.414 121.564 -0.150 18227 13574 1 39 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.662 0.081 18227 13575 1 39 . 1 1 23 23 ASP C C 23 176.664 176.664 177.450 -0.786 18227 13576 1 39 . 1 1 23 23 ASP CA C 23 55.159 55.159 57.232 -2.073 18227 13577 1 39 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.613 -4.138 18227 13578 1 39 . 1 1 23 23 ASP H H 23 8.355 8.355 7.327 1.028 18227 13579 1 39 . 1 1 24 24 TRP N N 24 121.858 121.858 122.582 -0.724 18227 13580 1 39 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.061 0.579 18227 13581 1 39 . 1 1 24 24 TRP C C 24 178.311 178.311 177.504 0.807 18227 13582 1 39 . 1 1 24 24 TRP CA C 24 59.644 59.644 60.966 -1.322 18227 13583 1 39 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.378 -0.635 18227 13584 1 39 . 1 1 24 24 TRP H H 24 8.363 8.363 8.637 -0.274 18227 13585 1 39 . 1 1 25 25 LYS N N 25 120.099 120.099 116.884 3.215 18227 13586 1 39 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.419 1.657 18227 13587 1 39 . 1 1 25 25 LYS C C 25 177.946 177.946 177.882 0.064 18227 13588 1 39 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.187 -0.053 18227 13589 1 39 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.541 0.729 18227 13590 1 39 . 1 1 25 25 LYS H H 25 8.291 8.291 7.250 1.041 18227 13591 1 39 . 1 1 26 26 SER N N 26 113.558 113.558 112.180 1.378 18227 13592 1 39 . 1 1 26 26 SER HA H 26 4.541 4.541 4.367 0.174 18227 13593 1 39 . 1 1 26 26 SER C C 26 175.212 175.212 175.907 -0.695 18227 13594 1 39 . 1 1 26 26 SER CA C 26 59.813 59.813 59.947 -0.134 18227 13595 1 39 . 1 1 26 26 SER CB C 26 63.672 63.672 64.449 -0.777 18227 13596 1 39 . 1 1 26 26 SER H H 26 8.088 8.088 7.932 0.156 18227 13597 1 39 . 1 1 27 27 SER N N 27 116.456 116.456 118.268 -1.812 18227 13598 1 39 . 1 1 27 27 SER HA H 27 4.534 4.534 4.519 0.015 18227 13599 1 39 . 1 1 27 27 SER C C 27 175.216 175.216 175.701 -0.485 18227 13600 1 39 . 1 1 27 27 SER CA C 27 60.042 60.042 59.364 0.678 18227 13601 1 39 . 1 1 27 27 SER CB C 27 63.782 63.782 63.109 0.673 18227 13602 1 39 . 1 1 27 27 SER H H 27 8.025 8.025 8.415 -0.390 18227 13603 1 39 . 1 1 28 28 GLY N N 28 108.769 108.769 108.821 -0.052 18227 13604 1 39 . 1 1 28 28 GLY C C 28 174.198 174.198 174.112 0.086 18227 13605 1 39 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.944 0.931 18227 13606 1 39 . 1 1 28 28 GLY H H 28 8.051 8.051 7.779 0.272 18227 13607 1 39 . 1 1 29 29 ALA N N 29 121.719 121.719 123.680 -1.961 18227 13608 1 39 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.471 -0.060 18227 13609 1 39 . 1 1 29 29 ALA C C 29 177.554 177.554 176.464 1.090 18227 13610 1 39 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.356 0.729 18227 13611 1 39 . 1 1 29 29 ALA CB C 29 18.774 18.774 17.577 1.197 18227 13612 1 39 . 1 1 29 29 ALA H H 29 7.749 7.749 7.668 0.081 18227 13613 1 39 . 1 1 30 30 LEU N N 30 118.220 118.220 112.153 6.067 18227 13614 1 39 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.500 0.046 18227 13615 1 39 . 1 1 30 30 LEU C C 30 176.978 176.978 177.074 -0.096 18227 13616 1 39 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.935 -0.268 18227 13617 1 39 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.228 0.528 18227 13618 1 39 . 1 1 30 30 LEU H H 30 7.660 7.660 7.288 0.372 18227 13619 1 39 . 1 1 31 31 ILE N N 31 118.934 118.934 122.279 -3.345 18227 13620 1 39 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.151 0.234 18227 13621 1 39 . 1 1 31 31 ILE C C 31 175.025 175.025 174.789 0.236 18227 13622 1 39 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.459 -3.783 18227 13623 1 39 . 1 1 31 31 ILE CB C 31 37.571 37.571 36.068 1.503 18227 13624 1 39 . 1 1 31 31 ILE H H 31 7.446 7.446 7.567 -0.121 18227 13625 1 39 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.242 0.237 18227 13626 1 39 . 1 1 32 32 PRO C C 32 177.601 177.601 177.988 -0.387 18227 13627 1 39 . 1 1 32 32 PRO CA C 32 65.320 65.320 66.034 -0.714 18227 13628 1 39 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.802 0.433 18227 13629 1 39 . 1 1 33 33 ALA N N 33 118.822 118.822 121.733 -2.911 18227 13630 1 39 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.087 0.280 18227 13631 1 39 . 1 1 33 33 ALA C C 33 179.269 179.269 179.786 -0.517 18227 13632 1 39 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.194 -0.377 18227 13633 1 39 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.238 -0.346 18227 13634 1 39 . 1 1 33 33 ALA H H 33 7.293 7.293 7.589 -0.296 18227 13635 1 39 . 1 1 34 34 ILE N N 34 116.953 116.953 118.984 -2.031 18227 13636 1 39 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.678 0.412 18227 13637 1 39 . 1 1 34 34 ILE C C 34 177.061 177.061 178.426 -1.365 18227 13638 1 39 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.937 -0.952 18227 13639 1 39 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.109 1.010 18227 13640 1 39 . 1 1 34 34 ILE H H 34 7.766 7.766 7.939 -0.173 18227 13641 1 39 . 1 1 35 35 TYR N N 35 118.432 118.432 119.585 -1.153 18227 13642 1 39 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.071 0.297 18227 13643 1 39 . 1 1 35 35 TYR C C 35 178.052 178.052 178.571 -0.519 18227 13644 1 39 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.512 -1.390 18227 13645 1 39 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.405 -0.469 18227 13646 1 39 . 1 1 35 35 TYR H H 35 7.988 7.988 7.813 0.175 18227 13647 1 39 . 1 1 36 36 MET N N 36 117.042 117.042 118.288 -1.246 18227 13648 1 39 . 1 1 36 36 MET HA H 36 4.534 4.534 4.193 0.341 18227 13649 1 39 . 1 1 36 36 MET C C 36 177.734 177.734 178.752 -1.018 18227 13650 1 39 . 1 1 36 36 MET CA C 36 58.272 58.272 57.789 0.483 18227 13651 1 39 . 1 1 36 36 MET CB C 36 31.979 31.979 32.117 -0.138 18227 13652 1 39 . 1 1 36 36 MET H H 36 7.934 7.934 8.734 -0.800 18227 13653 1 39 . 1 1 37 37 LEU N N 37 120.539 120.539 120.020 0.519 18227 13654 1 39 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.051 0.292 18227 13655 1 39 . 1 1 37 37 LEU C C 37 178.746 178.746 178.497 0.249 18227 13656 1 39 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.154 0.558 18227 13657 1 39 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.088 -0.050 18227 13658 1 39 . 1 1 37 37 LEU H H 37 8.013 8.013 8.534 -0.521 18227 13659 1 39 . 1 1 38 38 VAL N N 38 117.729 117.729 117.239 0.490 18227 13660 1 39 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.904 -0.127 18227 13661 1 39 . 1 1 38 38 VAL C C 38 179.009 179.009 177.485 1.524 18227 13662 1 39 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.986 2.213 18227 13663 1 39 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.052 -0.387 18227 13664 1 39 . 1 1 38 38 VAL H H 38 8.360 8.360 7.757 0.603 18227 13665 1 39 . 1 1 39 39 PHE N N 39 120.549 120.549 123.626 -3.077 18227 13666 1 39 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.459 -0.034 18227 13667 1 39 . 1 1 39 39 PHE C C 39 179.129 179.129 177.873 1.256 18227 13668 1 39 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.729 -0.207 18227 13669 1 39 . 1 1 39 39 PHE CB C 39 39.103 39.103 39.937 -0.834 18227 13670 1 39 . 1 1 39 39 PHE H H 39 8.225 8.225 8.215 0.010 18227 13671 1 39 . 1 1 40 40 LEU N N 40 122.778 122.778 116.184 6.594 18227 13672 1 39 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.415 -0.248 18227 13673 1 39 . 1 1 40 40 LEU C C 40 180.673 180.673 176.644 4.029 18227 13674 1 39 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.156 1.482 18227 13675 1 39 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.042 1.121 18227 13676 1 39 . 1 1 40 40 LEU H H 40 8.874 8.874 8.392 0.482 18227 13677 1 39 . 1 1 41 41 LEU N N 41 122.144 122.144 119.299 2.845 18227 13678 1 39 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.465 -0.229 18227 13679 1 39 . 1 1 41 41 LEU C C 41 180.709 180.709 178.332 2.377 18227 13680 1 39 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.477 1.993 18227 13681 1 39 . 1 1 41 41 LEU CB C 41 41.778 41.778 43.012 -1.234 18227 13682 1 39 . 1 1 41 41 LEU H H 41 9.193 9.193 7.520 1.673 18227 13683 1 39 . 1 1 42 42 GLY N N 42 107.124 107.124 103.251 3.873 18227 13684 1 39 . 1 1 42 42 GLY C C 42 176.537 176.537 174.631 1.906 18227 13685 1 39 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.684 1.049 18227 13686 1 39 . 1 1 42 42 GLY H H 42 8.755 8.755 7.853 0.902 18227 13687 1 39 . 1 1 43 43 THR N N 43 113.411 113.411 114.155 -0.744 18227 13688 1 39 . 1 1 43 43 THR HA H 43 4.299 4.299 4.425 -0.126 18227 13689 1 39 . 1 1 43 43 THR C C 43 176.797 176.797 173.810 2.987 18227 13690 1 39 . 1 1 43 43 THR CA C 43 64.990 64.990 61.301 3.689 18227 13691 1 39 . 1 1 43 43 THR CB C 43 69.731 69.731 68.636 1.095 18227 13692 1 39 . 1 1 43 43 THR H H 43 8.179 8.179 7.605 0.574 18227 13693 1 39 . 1 1 44 44 THR N N 44 114.667 114.667 117.558 -2.891 18227 13694 1 39 . 1 1 44 44 THR HA H 44 4.366 4.366 4.534 -0.168 18227 13695 1 39 . 1 1 44 44 THR C C 44 176.375 176.375 175.320 1.055 18227 13696 1 39 . 1 1 44 44 THR CA C 44 64.833 64.833 64.310 0.523 18227 13697 1 39 . 1 1 44 44 THR CB C 44 69.988 69.988 70.957 -0.969 18227 13698 1 39 . 1 1 44 44 THR H H 44 8.026 8.026 7.671 0.355 18227 13699 1 39 . 1 1 45 45 GLY N N 45 109.336 109.336 108.935 0.401 18227 13700 1 39 . 1 1 45 45 GLY C C 45 174.924 174.924 174.442 0.482 18227 13701 1 39 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.008 1.719 18227 13702 1 39 . 1 1 45 45 GLY H H 45 8.261 8.261 8.102 0.159 18227 13703 1 39 . 1 1 46 46 ASN N N 46 117.547 117.547 119.263 -1.716 18227 13704 1 39 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.766 -0.027 18227 13705 1 39 . 1 1 46 46 ASN C C 46 176.815 176.815 176.997 -0.182 18227 13706 1 39 . 1 1 46 46 ASN CA C 46 55.350 55.350 55.322 0.028 18227 13707 1 39 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.392 -0.899 18227 13708 1 39 . 1 1 46 46 ASN H H 46 8.083 8.083 7.965 0.118 18227 13709 1 39 . 1 1 47 47 GLY N N 47 106.960 106.960 109.386 -2.426 18227 13710 1 39 . 1 1 47 47 GLY C C 47 175.001 175.001 176.591 -1.590 18227 13711 1 39 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.292 -0.305 18227 13712 1 39 . 1 1 47 47 GLY H H 47 8.318 8.318 8.463 -0.145 18227 13713 1 39 . 1 1 48 48 LEU N N 48 120.991 120.991 121.097 -0.106 18227 13714 1 39 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.092 0.397 18227 13715 1 39 . 1 1 48 48 LEU C C 48 180.375 180.375 178.578 1.797 18227 13716 1 39 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.404 0.844 18227 13717 1 39 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.882 0.165 18227 13718 1 39 . 1 1 48 48 LEU H H 48 7.999 7.999 7.830 0.169 18227 13719 1 39 . 1 1 49 49 VAL N N 49 121.040 121.040 118.601 2.439 18227 13720 1 39 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.630 0.203 18227 13721 1 39 . 1 1 49 49 VAL C C 49 178.016 178.016 177.911 0.105 18227 13722 1 39 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.940 0.277 18227 13723 1 39 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.896 0.044 18227 13724 1 39 . 1 1 49 49 VAL H H 49 7.989 7.989 7.436 0.553 18227 13725 1 39 . 1 1 50 50 LEU N N 50 119.986 119.986 118.530 1.456 18227 13726 1 39 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.935 0.262 18227 13727 1 39 . 1 1 50 50 LEU C C 50 178.823 178.823 179.271 -0.448 18227 13728 1 39 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.625 1.065 18227 13729 1 39 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.071 0.594 18227 13730 1 39 . 1 1 50 50 LEU H H 50 7.926 7.926 8.164 -0.238 18227 13731 1 39 . 1 1 51 51 TRP N N 51 117.842 117.842 120.786 -2.944 18227 13732 1 39 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.357 0.330 18227 13733 1 39 . 1 1 51 51 TRP C C 51 178.729 178.729 178.351 0.378 18227 13734 1 39 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.714 -0.334 18227 13735 1 39 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.994 -0.453 18227 13736 1 39 . 1 1 51 51 TRP H H 51 8.525 8.525 7.946 0.579 18227 13737 1 39 . 1 1 52 52 THR N N 52 114.722 114.722 117.419 -2.697 18227 13738 1 39 . 1 1 52 52 THR HA H 52 4.007 4.007 3.603 0.404 18227 13739 1 39 . 1 1 52 52 THR C C 52 176.228 176.228 177.048 -0.820 18227 13740 1 39 . 1 1 52 52 THR CA C 52 67.517 67.517 67.461 0.056 18227 13741 1 39 . 1 1 52 52 THR CB C 52 69.051 69.051 68.956 0.095 18227 13742 1 39 . 1 1 52 52 THR H H 52 8.248 8.248 8.659 -0.411 18227 13743 1 39 . 1 1 53 53 VAL N N 53 123.008 123.008 122.240 0.768 18227 13744 1 39 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.644 0.104 18227 13745 1 39 . 1 1 53 53 VAL C C 53 178.474 178.474 177.158 1.316 18227 13746 1 39 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.993 0.462 18227 13747 1 39 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.807 0.033 18227 13748 1 39 . 1 1 53 53 VAL H H 53 8.634 8.634 8.889 -0.255 18227 13749 1 39 . 1 1 54 54 PHE N N 54 119.554 119.554 117.189 2.365 18227 13750 1 39 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.147 0.263 18227 13751 1 39 . 1 1 54 54 PHE C C 54 179.173 179.173 177.004 2.169 18227 13752 1 39 . 1 1 54 54 PHE CA C 54 61.087 61.087 60.927 0.160 18227 13753 1 39 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.380 0.410 18227 13754 1 39 . 1 1 54 54 PHE H H 54 8.860 8.860 7.780 1.080 18227 13755 1 39 . 1 1 55 55 ARG N N 55 118.355 118.355 115.822 2.533 18227 13756 1 39 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.261 -0.141 18227 13757 1 39 . 1 1 55 55 ARG C C 55 178.719 178.719 176.552 2.167 18227 13758 1 39 . 1 1 55 55 ARG CA C 55 58.976 58.976 56.910 2.066 18227 13759 1 39 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.674 -0.596 18227 13760 1 39 . 1 1 55 55 ARG H H 55 8.296 8.296 7.634 0.662 18227 13761 1 39 . 1 1 56 56 LYS N N 56 119.698 119.698 118.376 1.322 18227 13762 1 39 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.547 -0.254 18227 13763 1 39 . 1 1 56 56 LYS C C 56 178.742 178.742 178.254 0.488 18227 13764 1 39 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.197 0.854 18227 13765 1 39 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.248 -0.477 18227 13766 1 39 . 1 1 56 56 LYS H H 56 8.377 8.377 8.116 0.261 18227 13767 1 39 . 1 1 57 57 LYS N N 57 119.104 119.104 120.723 -1.619 18227 13768 1 39 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.254 0.091 18227 13769 1 39 . 1 1 57 57 LYS C C 57 178.311 178.311 178.892 -0.581 18227 13770 1 39 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.642 0.490 18227 13771 1 39 . 1 1 57 57 LYS CB C 57 32.690 32.690 32.508 0.182 18227 13772 1 39 . 1 1 57 57 LYS H H 57 8.610 8.610 8.590 0.020 18227 13773 1 39 . 1 1 58 58 GLY N N 58 106.684 106.684 107.252 -0.568 18227 13774 1 39 . 1 1 58 58 GLY C C 58 174.451 174.451 175.256 -0.805 18227 13775 1 39 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.910 -0.997 18227 13776 1 39 . 1 1 58 58 GLY H H 58 8.154 8.154 8.088 0.066 18227 13777 1 39 . 1 1 59 59 HIS N N 59 116.995 116.995 117.403 -0.408 18227 13778 1 39 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.488 0.287 18227 13779 1 39 . 1 1 59 59 HIS C C 59 174.529 174.529 174.117 0.412 18227 13780 1 39 . 1 1 59 59 HIS CA C 59 56.140 56.140 55.936 0.204 18227 13781 1 39 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.605 -0.978 18227 13782 1 39 . 1 1 59 59 HIS H H 59 8.106 8.106 7.639 0.467 18227 13783 1 39 . 1 1 60 60 HIS N N 60 117.887 117.887 118.676 -0.789 18227 13784 1 39 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.041 0.805 18227 13785 1 39 . 1 1 60 60 HIS C C 60 174.247 174.247 173.544 0.703 18227 13786 1 39 . 1 1 60 60 HIS CA C 60 55.907 55.907 57.125 -1.218 18227 13787 1 39 . 1 1 60 60 HIS CB C 60 29.050 29.050 28.395 0.655 18227 13788 1 39 . 1 1 60 60 HIS H H 60 8.425 8.425 7.870 0.555 18227 13789 1 39 . 1 1 61 61 HIS N N 61 118.329 118.329 116.678 1.651 18227 13790 1 39 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.373 0.500 18227 13791 1 39 . 1 1 61 61 HIS C C 61 174.139 174.139 175.700 -1.561 18227 13792 1 39 . 1 1 61 61 HIS CA C 61 55.794 55.794 57.413 -1.619 18227 13793 1 39 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.489 -1.219 18227 13794 1 39 . 1 1 61 61 HIS H H 61 8.573 8.573 7.952 0.621 18227 13795 1 39 . 1 1 62 62 HIS N N 62 118.968 118.968 122.241 -3.273 18227 13796 1 39 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.239 0.636 18227 13797 1 39 . 1 1 62 62 HIS C C 62 173.827 173.827 175.713 -1.886 18227 13798 1 39 . 1 1 62 62 HIS CA C 62 55.768 55.768 59.243 -3.475 18227 13799 1 39 . 1 1 62 62 HIS CB C 62 29.268 29.268 30.413 -1.145 18227 13800 1 39 . 1 1 62 62 HIS H H 62 8.662 8.662 9.354 -0.692 18227 13801 1 39 . 1 1 63 63 HIS N N 63 118.949 118.949 118.368 0.581 18227 13802 1 39 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.652 0.198 18227 13803 1 39 . 1 1 63 63 HIS C C 63 173.433 173.433 174.219 -0.786 18227 13804 1 39 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.386 0.403 18227 13805 1 39 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.465 0.997 18227 13806 1 39 . 1 1 63 63 HIS H H 63 8.518 8.518 8.345 0.173 18227 13807 1 40 . 1 1 2 2 GLU N N 2 122.322 122.322 121.979 0.343 18227 13808 1 40 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.660 0.018 18227 13809 1 40 . 1 1 2 2 GLU C C 2 175.160 175.160 175.122 0.038 18227 13810 1 40 . 1 1 2 2 GLU CA C 2 56.093 56.093 57.790 -1.697 18227 13811 1 40 . 1 1 2 2 GLU CB C 2 29.175 29.175 30.540 -1.365 18227 13812 1 40 . 1 1 2 2 GLU H H 2 8.641 8.641 8.518 0.123 18227 13813 1 40 . 1 1 3 3 GLU N N 3 121.391 121.391 121.353 0.038 18227 13814 1 40 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.492 0.138 18227 13815 1 40 . 1 1 3 3 GLU C C 3 176.097 176.097 176.782 -0.685 18227 13816 1 40 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.798 -0.711 18227 13817 1 40 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.078 -0.894 18227 13818 1 40 . 1 1 3 3 GLU H H 3 8.448 8.448 8.532 -0.084 18227 13819 1 40 . 1 1 4 4 GLY N N 4 109.002 109.002 108.404 0.598 18227 13820 1 40 . 1 1 4 4 GLY C C 4 174.407 174.407 174.713 -0.306 18227 13821 1 40 . 1 1 4 4 GLY CA C 4 45.445 45.445 44.711 0.735 18227 13822 1 40 . 1 1 4 4 GLY H H 4 8.333 8.333 8.044 0.289 18227 13823 1 40 . 1 1 5 5 GLY N N 5 107.419 107.419 112.020 -4.601 18227 13824 1 40 . 1 1 5 5 GLY C C 5 173.914 173.914 173.416 0.498 18227 13825 1 40 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.684 -0.195 18227 13826 1 40 . 1 1 5 5 GLY H H 5 8.120 8.120 8.107 0.013 18227 13827 1 40 . 1 1 6 6 ASP N N 6 117.918 117.918 119.501 -1.583 18227 13828 1 40 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.030 0.876 18227 13829 1 40 . 1 1 6 6 ASP C C 6 175.114 175.114 175.296 -0.182 18227 13830 1 40 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.167 -0.048 18227 13831 1 40 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.988 -3.029 18227 13832 1 40 . 1 1 6 6 ASP H H 6 8.204 8.204 8.290 -0.086 18227 13833 1 40 . 1 1 7 7 PHE N N 7 119.801 119.801 117.561 2.240 18227 13834 1 40 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.102 0.608 18227 13835 1 40 . 1 1 7 7 PHE C C 7 175.789 175.789 175.613 0.176 18227 13836 1 40 . 1 1 7 7 PHE CA C 7 58.676 58.676 57.988 0.688 18227 13837 1 40 . 1 1 7 7 PHE CB C 7 39.169 39.169 36.811 2.358 18227 13838 1 40 . 1 1 7 7 PHE H H 7 8.072 8.072 8.350 -0.278 18227 13839 1 40 . 1 1 8 8 ASP N N 8 117.963 117.963 118.715 -0.752 18227 13840 1 40 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.732 0.045 18227 13841 1 40 . 1 1 8 8 ASP C C 8 174.919 174.919 175.166 -0.247 18227 13842 1 40 . 1 1 8 8 ASP CA C 8 53.580 53.580 52.914 0.666 18227 13843 1 40 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.437 -3.714 18227 13844 1 40 . 1 1 8 8 ASP H H 8 8.184 8.184 8.152 0.032 18227 13845 1 40 . 1 1 9 9 ASN N N 9 117.736 117.736 117.122 0.614 18227 13846 1 40 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.464 0.326 18227 13847 1 40 . 1 1 9 9 ASN C C 9 174.974 174.974 175.512 -0.538 18227 13848 1 40 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.061 -0.325 18227 13849 1 40 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.795 -0.225 18227 13850 1 40 . 1 1 9 9 ASN H H 9 8.080 8.080 7.806 0.274 18227 13851 1 40 . 1 1 10 10 TYR N N 10 119.580 119.580 117.646 1.934 18227 13852 1 40 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.198 0.428 18227 13853 1 40 . 1 1 10 10 TYR C C 10 175.935 175.935 175.340 0.595 18227 13854 1 40 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.395 -0.617 18227 13855 1 40 . 1 1 10 10 TYR CB C 10 38.514 38.514 38.728 -0.214 18227 13856 1 40 . 1 1 10 10 TYR H H 10 7.869 7.869 8.445 -0.576 18227 13857 1 40 . 1 1 11 11 TYR N N 11 120.254 120.254 120.792 -0.538 18227 13858 1 40 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.065 0.554 18227 13859 1 40 . 1 1 11 11 TYR C C 11 176.666 176.666 174.693 1.973 18227 13860 1 40 . 1 1 11 11 TYR CA C 11 58.856 58.856 59.525 -0.669 18227 13861 1 40 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.489 0.999 18227 13862 1 40 . 1 1 11 11 TYR H H 11 7.906 7.906 7.765 0.141 18227 13863 1 40 . 1 1 12 12 GLY N N 12 108.226 108.226 104.441 3.785 18227 13864 1 40 . 1 1 12 12 GLY C C 12 174.314 174.314 173.186 1.128 18227 13865 1 40 . 1 1 12 12 GLY CA C 12 45.780 45.780 44.869 0.911 18227 13866 1 40 . 1 1 12 12 GLY H H 12 7.817 7.817 7.803 0.014 18227 13867 1 40 . 1 1 13 13 ALA N N 13 122.970 122.970 121.064 1.906 18227 13868 1 40 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.614 -0.144 18227 13869 1 40 . 1 1 13 13 ALA C C 13 178.137 178.137 176.822 1.315 18227 13870 1 40 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.592 0.858 18227 13871 1 40 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.804 -1.121 18227 13872 1 40 . 1 1 13 13 ALA H H 13 7.913 7.913 7.776 0.137 18227 13873 1 40 . 1 1 14 14 ASP N N 14 116.374 116.374 119.410 -3.036 18227 13874 1 40 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.566 0.309 18227 13875 1 40 . 1 1 14 14 ASP C C 14 175.450 175.450 177.713 -2.263 18227 13876 1 40 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.579 -1.939 18227 13877 1 40 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.882 -3.020 18227 13878 1 40 . 1 1 14 14 ASP H H 14 8.348 8.348 8.357 -0.009 18227 13879 1 40 . 1 1 15 15 ASN N N 15 118.423 118.423 117.550 0.873 18227 13880 1 40 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.603 0.267 18227 13881 1 40 . 1 1 15 15 ASN C C 15 176.054 176.054 176.136 -0.082 18227 13882 1 40 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.512 -1.084 18227 13883 1 40 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.559 0.124 18227 13884 1 40 . 1 1 15 15 ASN H H 15 8.272 8.272 8.344 -0.072 18227 13885 1 40 . 1 1 16 16 GLN N N 16 120.129 120.129 114.243 5.886 18227 13886 1 40 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.457 -0.041 18227 13887 1 40 . 1 1 16 16 GLN C C 16 177.337 177.337 176.052 1.285 18227 13888 1 40 . 1 1 16 16 GLN CA C 16 58.256 58.256 56.849 1.407 18227 13889 1 40 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.367 0.417 18227 13890 1 40 . 1 1 16 16 GLN H H 16 8.481 8.481 8.232 0.249 18227 13891 1 40 . 1 1 17 17 SER N N 17 115.051 115.051 116.636 -1.585 18227 13892 1 40 . 1 1 17 17 SER HA H 17 4.505 4.505 4.632 -0.127 18227 13893 1 40 . 1 1 17 17 SER C C 17 175.596 175.596 175.155 0.441 18227 13894 1 40 . 1 1 17 17 SER CA C 17 60.767 60.767 59.750 1.017 18227 13895 1 40 . 1 1 17 17 SER CB C 17 63.325 63.325 64.468 -1.143 18227 13896 1 40 . 1 1 17 17 SER H H 17 8.380 8.380 8.328 0.052 18227 13897 1 40 . 1 1 18 18 GLU N N 18 120.901 120.901 122.574 -1.673 18227 13898 1 40 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.153 0.306 18227 13899 1 40 . 1 1 18 18 GLU C C 18 177.867 177.867 177.962 -0.095 18227 13900 1 40 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.484 -1.261 18227 13901 1 40 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.255 -1.190 18227 13902 1 40 . 1 1 18 18 GLU H H 18 8.233 8.233 8.284 -0.051 18227 13903 1 40 . 1 1 19 19 CYS N N 19 118.899 118.899 116.055 2.844 18227 13904 1 40 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.666 -0.190 18227 13905 1 40 . 1 1 19 19 CYS C C 19 175.896 175.896 175.379 0.517 18227 13906 1 40 . 1 1 19 19 CYS CA C 19 61.262 61.262 60.321 0.941 18227 13907 1 40 . 1 1 19 19 CYS CB C 19 27.059 27.059 29.351 -2.292 18227 13908 1 40 . 1 1 19 19 CYS H H 19 8.245 8.245 7.843 0.402 18227 13909 1 40 . 1 1 20 20 GLU N N 20 120.324 120.324 119.867 0.457 18227 13910 1 40 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.261 0.066 18227 13911 1 40 . 1 1 20 20 GLU C C 20 177.163 177.163 178.104 -0.941 18227 13912 1 40 . 1 1 20 20 GLU CA C 20 58.372 58.372 58.422 -0.050 18227 13913 1 40 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.658 -1.614 18227 13914 1 40 . 1 1 20 20 GLU H H 20 8.299 8.299 8.079 0.220 18227 13915 1 40 . 1 1 21 21 TYR N N 21 118.601 118.601 121.657 -3.056 18227 13916 1 40 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.467 0.138 18227 13917 1 40 . 1 1 21 21 TYR C C 21 177.166 177.166 176.928 0.238 18227 13918 1 40 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.489 -2.083 18227 13919 1 40 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.590 -0.112 18227 13920 1 40 . 1 1 21 21 TYR H H 21 8.165 8.165 8.842 -0.677 18227 13921 1 40 . 1 1 22 22 THR N N 22 112.362 112.362 111.818 0.544 18227 13922 1 40 . 1 1 22 22 THR HA H 22 4.203 4.203 3.956 0.247 18227 13923 1 40 . 1 1 22 22 THR C C 22 176.226 176.226 175.160 1.066 18227 13924 1 40 . 1 1 22 22 THR CA C 22 64.825 64.825 64.365 0.460 18227 13925 1 40 . 1 1 22 22 THR CB C 22 69.471 69.471 68.129 1.342 18227 13926 1 40 . 1 1 22 22 THR H H 22 8.063 8.063 8.515 -0.452 18227 13927 1 40 . 1 1 23 23 ASP N N 23 121.414 121.414 121.046 0.368 18227 13928 1 40 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.620 0.123 18227 13929 1 40 . 1 1 23 23 ASP C C 23 176.664 176.664 177.703 -1.039 18227 13930 1 40 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.718 -1.559 18227 13931 1 40 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.255 -3.780 18227 13932 1 40 . 1 1 23 23 ASP H H 23 8.355 8.355 7.297 1.058 18227 13933 1 40 . 1 1 24 24 TRP N N 24 121.858 121.858 123.235 -1.377 18227 13934 1 40 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.072 0.568 18227 13935 1 40 . 1 1 24 24 TRP C C 24 178.311 178.311 177.440 0.871 18227 13936 1 40 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.006 -1.362 18227 13937 1 40 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.220 -0.477 18227 13938 1 40 . 1 1 24 24 TRP H H 24 8.363 8.363 8.766 -0.403 18227 13939 1 40 . 1 1 25 25 LYS N N 25 120.099 120.099 117.027 3.072 18227 13940 1 40 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.600 1.476 18227 13941 1 40 . 1 1 25 25 LYS C C 25 177.946 177.946 177.937 0.009 18227 13942 1 40 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.284 -0.150 18227 13943 1 40 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.552 0.718 18227 13944 1 40 . 1 1 25 25 LYS H H 25 8.291 8.291 7.175 1.116 18227 13945 1 40 . 1 1 26 26 SER N N 26 113.558 113.558 112.787 0.771 18227 13946 1 40 . 1 1 26 26 SER HA H 26 4.541 4.541 4.435 0.106 18227 13947 1 40 . 1 1 26 26 SER C C 26 175.212 175.212 175.642 -0.430 18227 13948 1 40 . 1 1 26 26 SER CA C 26 59.813 59.813 60.037 -0.224 18227 13949 1 40 . 1 1 26 26 SER CB C 26 63.672 63.672 64.473 -0.801 18227 13950 1 40 . 1 1 26 26 SER H H 26 8.088 8.088 7.969 0.119 18227 13951 1 40 . 1 1 27 27 SER N N 27 116.456 116.456 118.084 -1.628 18227 13952 1 40 . 1 1 27 27 SER HA H 27 4.534 4.534 4.543 -0.009 18227 13953 1 40 . 1 1 27 27 SER C C 27 175.216 175.216 175.431 -0.215 18227 13954 1 40 . 1 1 27 27 SER CA C 27 60.042 60.042 59.242 0.800 18227 13955 1 40 . 1 1 27 27 SER CB C 27 63.782 63.782 63.111 0.671 18227 13956 1 40 . 1 1 27 27 SER H H 27 8.025 8.025 8.432 -0.407 18227 13957 1 40 . 1 1 28 28 GLY N N 28 108.769 108.769 108.432 0.337 18227 13958 1 40 . 1 1 28 28 GLY C C 28 174.198 174.198 173.970 0.228 18227 13959 1 40 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.708 1.167 18227 13960 1 40 . 1 1 28 28 GLY H H 28 8.051 8.051 7.666 0.385 18227 13961 1 40 . 1 1 29 29 ALA N N 29 121.719 121.719 122.909 -1.190 18227 13962 1 40 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.501 -0.090 18227 13963 1 40 . 1 1 29 29 ALA C C 29 177.554 177.554 176.764 0.790 18227 13964 1 40 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.373 0.712 18227 13965 1 40 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.177 0.597 18227 13966 1 40 . 1 1 29 29 ALA H H 29 7.749 7.749 7.706 0.043 18227 13967 1 40 . 1 1 30 30 LEU N N 30 118.220 118.220 112.814 5.406 18227 13968 1 40 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.598 -0.052 18227 13969 1 40 . 1 1 30 30 LEU C C 30 176.978 176.978 177.382 -0.404 18227 13970 1 40 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.963 -0.296 18227 13971 1 40 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.304 0.452 18227 13972 1 40 . 1 1 30 30 LEU H H 30 7.660 7.660 7.571 0.089 18227 13973 1 40 . 1 1 31 31 ILE N N 31 118.934 118.934 121.023 -2.089 18227 13974 1 40 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.206 0.179 18227 13975 1 40 . 1 1 31 31 ILE C C 31 175.025 175.025 174.991 0.034 18227 13976 1 40 . 1 1 31 31 ILE CA C 31 62.676 62.676 66.241 -3.565 18227 13977 1 40 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.408 2.163 18227 13978 1 40 . 1 1 31 31 ILE H H 31 7.446 7.446 7.805 -0.359 18227 13979 1 40 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.352 0.127 18227 13980 1 40 . 1 1 32 32 PRO C C 32 177.601 177.601 178.341 -0.740 18227 13981 1 40 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.938 -0.618 18227 13982 1 40 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.823 0.412 18227 13983 1 40 . 1 1 33 33 ALA N N 33 118.822 118.822 121.887 -3.065 18227 13984 1 40 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.128 0.239 18227 13985 1 40 . 1 1 33 33 ALA C C 33 179.269 179.269 180.006 -0.737 18227 13986 1 40 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.077 -0.260 18227 13987 1 40 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.275 -0.383 18227 13988 1 40 . 1 1 33 33 ALA H H 33 7.293 7.293 8.207 -0.914 18227 13989 1 40 . 1 1 34 34 ILE N N 34 116.953 116.953 119.023 -2.070 18227 13990 1 40 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.649 0.441 18227 13991 1 40 . 1 1 34 34 ILE C C 34 177.061 177.061 178.325 -1.264 18227 13992 1 40 . 1 1 34 34 ILE CA C 34 63.985 63.985 65.038 -1.053 18227 13993 1 40 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.090 1.029 18227 13994 1 40 . 1 1 34 34 ILE H H 34 7.766 7.766 7.827 -0.061 18227 13995 1 40 . 1 1 35 35 TYR N N 35 118.432 118.432 119.578 -1.146 18227 13996 1 40 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.035 0.333 18227 13997 1 40 . 1 1 35 35 TYR C C 35 178.052 178.052 178.400 -0.348 18227 13998 1 40 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.508 -1.385 18227 13999 1 40 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.278 -0.342 18227 14000 1 40 . 1 1 35 35 TYR H H 35 7.988 7.988 7.765 0.223 18227 14001 1 40 . 1 1 36 36 MET N N 36 117.042 117.042 117.541 -0.499 18227 14002 1 40 . 1 1 36 36 MET HA H 36 4.534 4.534 4.161 0.373 18227 14003 1 40 . 1 1 36 36 MET C C 36 177.734 177.734 178.550 -0.816 18227 14004 1 40 . 1 1 36 36 MET CA C 36 58.272 58.272 57.918 0.354 18227 14005 1 40 . 1 1 36 36 MET CB C 36 31.979 31.979 31.990 -0.011 18227 14006 1 40 . 1 1 36 36 MET H H 36 7.934 7.934 8.753 -0.819 18227 14007 1 40 . 1 1 37 37 LEU N N 37 120.539 120.539 119.571 0.968 18227 14008 1 40 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.123 0.220 18227 14009 1 40 . 1 1 37 37 LEU C C 37 178.746 178.746 178.469 0.277 18227 14010 1 40 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.109 0.603 18227 14011 1 40 . 1 1 37 37 LEU CB C 37 42.038 42.038 41.863 0.175 18227 14012 1 40 . 1 1 37 37 LEU H H 37 8.013 8.013 8.524 -0.511 18227 14013 1 40 . 1 1 38 38 VAL N N 38 117.729 117.729 115.715 2.014 18227 14014 1 40 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.981 -0.204 18227 14015 1 40 . 1 1 38 38 VAL C C 38 179.009 179.009 176.531 2.478 18227 14016 1 40 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.440 2.759 18227 14017 1 40 . 1 1 38 38 VAL CB C 38 31.665 31.665 31.771 -0.106 18227 14018 1 40 . 1 1 38 38 VAL H H 38 8.360 8.360 8.003 0.357 18227 14019 1 40 . 1 1 39 39 PHE N N 39 120.549 120.549 122.293 -1.744 18227 14020 1 40 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.498 -0.073 18227 14021 1 40 . 1 1 39 39 PHE C C 39 179.129 179.129 177.238 1.891 18227 14022 1 40 . 1 1 39 39 PHE CA C 39 61.522 61.522 61.333 0.189 18227 14023 1 40 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.143 -2.040 18227 14024 1 40 . 1 1 39 39 PHE H H 39 8.225 8.225 8.231 -0.006 18227 14025 1 40 . 1 1 40 40 LEU N N 40 122.778 122.778 118.297 4.481 18227 14026 1 40 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.265 -0.098 18227 14027 1 40 . 1 1 40 40 LEU C C 40 180.673 180.673 177.554 3.119 18227 14028 1 40 . 1 1 40 40 LEU CA C 40 58.638 58.638 57.799 0.839 18227 14029 1 40 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.690 0.474 18227 14030 1 40 . 1 1 40 40 LEU H H 40 8.874 8.874 8.439 0.435 18227 14031 1 40 . 1 1 41 41 LEU N N 41 122.144 122.144 114.175 7.969 18227 14032 1 40 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.650 -0.414 18227 14033 1 40 . 1 1 41 41 LEU C C 41 180.709 180.709 177.997 2.712 18227 14034 1 40 . 1 1 41 41 LEU CA C 41 58.470 58.470 54.513 3.957 18227 14035 1 40 . 1 1 41 41 LEU CB C 41 41.778 41.778 41.593 0.185 18227 14036 1 40 . 1 1 41 41 LEU H H 41 9.193 9.193 7.465 1.728 18227 14037 1 40 . 1 1 42 42 GLY N N 42 107.124 107.124 105.167 1.957 18227 14038 1 40 . 1 1 42 42 GLY C C 42 176.537 176.537 174.519 2.018 18227 14039 1 40 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.213 1.520 18227 14040 1 40 . 1 1 42 42 GLY H H 42 8.755 8.755 8.194 0.561 18227 14041 1 40 . 1 1 43 43 THR N N 43 113.411 113.411 112.741 0.670 18227 14042 1 40 . 1 1 43 43 THR HA H 43 4.299 4.299 4.380 -0.081 18227 14043 1 40 . 1 1 43 43 THR C C 43 176.797 176.797 174.179 2.618 18227 14044 1 40 . 1 1 43 43 THR CA C 43 64.990 64.990 61.837 3.153 18227 14045 1 40 . 1 1 43 43 THR CB C 43 69.731 69.731 69.222 0.509 18227 14046 1 40 . 1 1 43 43 THR H H 43 8.179 8.179 7.382 0.797 18227 14047 1 40 . 1 1 44 44 THR N N 44 114.667 114.667 115.578 -0.911 18227 14048 1 40 . 1 1 44 44 THR HA H 44 4.366 4.366 4.413 -0.047 18227 14049 1 40 . 1 1 44 44 THR C C 44 176.375 176.375 174.854 1.521 18227 14050 1 40 . 1 1 44 44 THR CA C 44 64.833 64.833 63.266 1.567 18227 14051 1 40 . 1 1 44 44 THR CB C 44 69.988 69.988 69.338 0.650 18227 14052 1 40 . 1 1 44 44 THR H H 44 8.026 8.026 7.742 0.284 18227 14053 1 40 . 1 1 45 45 GLY N N 45 109.336 109.336 109.074 0.262 18227 14054 1 40 . 1 1 45 45 GLY C C 45 174.924 174.924 174.231 0.693 18227 14055 1 40 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.345 1.382 18227 14056 1 40 . 1 1 45 45 GLY H H 45 8.261 8.261 8.305 -0.044 18227 14057 1 40 . 1 1 46 46 ASN N N 46 117.547 117.547 117.709 -0.162 18227 14058 1 40 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.736 0.003 18227 14059 1 40 . 1 1 46 46 ASN C C 46 176.815 176.815 176.431 0.384 18227 14060 1 40 . 1 1 46 46 ASN CA C 46 55.350 55.350 53.914 1.436 18227 14061 1 40 . 1 1 46 46 ASN CB C 46 38.493 38.493 39.662 -1.169 18227 14062 1 40 . 1 1 46 46 ASN H H 46 8.083 8.083 7.616 0.467 18227 14063 1 40 . 1 1 47 47 GLY N N 47 106.960 106.960 110.999 -4.039 18227 14064 1 40 . 1 1 47 47 GLY C C 47 175.001 175.001 176.281 -1.280 18227 14065 1 40 . 1 1 47 47 GLY CA C 47 46.987 46.987 47.064 -0.077 18227 14066 1 40 . 1 1 47 47 GLY H H 47 8.318 8.318 8.511 -0.193 18227 14067 1 40 . 1 1 48 48 LEU N N 48 120.991 120.991 121.500 -0.509 18227 14068 1 40 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.074 0.415 18227 14069 1 40 . 1 1 48 48 LEU C C 48 180.375 180.375 178.715 1.660 18227 14070 1 40 . 1 1 48 48 LEU CA C 48 58.248 58.248 58.021 0.227 18227 14071 1 40 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.562 0.485 18227 14072 1 40 . 1 1 48 48 LEU H H 48 7.999 7.999 8.007 -0.008 18227 14073 1 40 . 1 1 49 49 VAL N N 49 121.040 121.040 117.784 3.256 18227 14074 1 40 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.720 0.113 18227 14075 1 40 . 1 1 49 49 VAL C C 49 178.016 178.016 178.495 -0.479 18227 14076 1 40 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.618 0.599 18227 14077 1 40 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.283 0.657 18227 14078 1 40 . 1 1 49 49 VAL H H 49 7.989 7.989 7.874 0.115 18227 14079 1 40 . 1 1 50 50 LEU N N 50 119.986 119.986 118.721 1.265 18227 14080 1 40 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.961 0.236 18227 14081 1 40 . 1 1 50 50 LEU C C 50 178.823 178.823 179.488 -0.665 18227 14082 1 40 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.681 1.009 18227 14083 1 40 . 1 1 50 50 LEU CB C 50 41.665 41.665 40.969 0.696 18227 14084 1 40 . 1 1 50 50 LEU H H 50 7.926 7.926 8.008 -0.082 18227 14085 1 40 . 1 1 51 51 TRP N N 51 117.842 117.842 121.000 -3.158 18227 14086 1 40 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.400 0.287 18227 14087 1 40 . 1 1 51 51 TRP C C 51 178.729 178.729 177.344 1.385 18227 14088 1 40 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.499 -0.119 18227 14089 1 40 . 1 1 51 51 TRP CB C 51 29.541 29.541 30.045 -0.504 18227 14090 1 40 . 1 1 51 51 TRP H H 51 8.525 8.525 8.411 0.114 18227 14091 1 40 . 1 1 52 52 THR N N 52 114.722 114.722 115.911 -1.189 18227 14092 1 40 . 1 1 52 52 THR HA H 52 4.007 4.007 3.844 0.163 18227 14093 1 40 . 1 1 52 52 THR C C 52 176.228 176.228 176.706 -0.478 18227 14094 1 40 . 1 1 52 52 THR CA C 52 67.517 67.517 67.092 0.425 18227 14095 1 40 . 1 1 52 52 THR CB C 52 69.051 69.051 69.303 -0.252 18227 14096 1 40 . 1 1 52 52 THR H H 52 8.248 8.248 8.405 -0.157 18227 14097 1 40 . 1 1 53 53 VAL N N 53 123.008 123.008 121.252 1.756 18227 14098 1 40 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.773 -0.025 18227 14099 1 40 . 1 1 53 53 VAL C C 53 178.474 178.474 177.503 0.971 18227 14100 1 40 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.652 0.803 18227 14101 1 40 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.438 0.402 18227 14102 1 40 . 1 1 53 53 VAL H H 53 8.634 8.634 8.742 -0.108 18227 14103 1 40 . 1 1 54 54 PHE N N 54 119.554 119.554 117.421 2.133 18227 14104 1 40 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.152 0.258 18227 14105 1 40 . 1 1 54 54 PHE C C 54 179.173 179.173 177.347 1.826 18227 14106 1 40 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.092 -0.005 18227 14107 1 40 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.110 0.680 18227 14108 1 40 . 1 1 54 54 PHE H H 54 8.860 8.860 7.935 0.925 18227 14109 1 40 . 1 1 55 55 ARG N N 55 118.355 118.355 116.562 1.793 18227 14110 1 40 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.241 -0.121 18227 14111 1 40 . 1 1 55 55 ARG C C 55 178.719 178.719 177.509 1.210 18227 14112 1 40 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.590 1.387 18227 14113 1 40 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.723 -0.645 18227 14114 1 40 . 1 1 55 55 ARG H H 55 8.296 8.296 7.500 0.796 18227 14115 1 40 . 1 1 56 56 LYS N N 56 119.698 119.698 119.088 0.610 18227 14116 1 40 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.277 0.016 18227 14117 1 40 . 1 1 56 56 LYS C C 56 178.742 178.742 177.794 0.948 18227 14118 1 40 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.464 0.587 18227 14119 1 40 . 1 1 56 56 LYS CB C 56 32.771 32.771 32.970 -0.199 18227 14120 1 40 . 1 1 56 56 LYS H H 56 8.377 8.377 8.098 0.279 18227 14121 1 40 . 1 1 57 57 LYS N N 57 119.104 119.104 119.429 -0.325 18227 14122 1 40 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.501 -0.156 18227 14123 1 40 . 1 1 57 57 LYS C C 57 178.311 178.311 177.234 1.077 18227 14124 1 40 . 1 1 57 57 LYS CA C 57 58.132 58.132 56.875 1.257 18227 14125 1 40 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.753 -1.063 18227 14126 1 40 . 1 1 57 57 LYS H H 57 8.610 8.610 8.448 0.162 18227 14127 1 40 . 1 1 58 58 GLY N N 58 106.684 106.684 106.304 0.380 18227 14128 1 40 . 1 1 58 58 GLY C C 58 174.451 174.451 174.981 -0.530 18227 14129 1 40 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.113 -0.200 18227 14130 1 40 . 1 1 58 58 GLY H H 58 8.154 8.154 7.767 0.387 18227 14131 1 40 . 1 1 59 59 HIS N N 59 116.995 116.995 118.202 -1.207 18227 14132 1 40 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.246 0.529 18227 14133 1 40 . 1 1 59 59 HIS C C 59 174.529 174.529 174.930 -0.401 18227 14134 1 40 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.146 -1.006 18227 14135 1 40 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.643 -1.016 18227 14136 1 40 . 1 1 59 59 HIS H H 59 8.106 8.106 7.732 0.374 18227 14137 1 40 . 1 1 60 60 HIS N N 60 117.887 117.887 117.914 -0.027 18227 14138 1 40 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.379 0.467 18227 14139 1 40 . 1 1 60 60 HIS C C 60 174.247 174.247 174.052 0.195 18227 14140 1 40 . 1 1 60 60 HIS CA C 60 55.907 55.907 55.061 0.846 18227 14141 1 40 . 1 1 60 60 HIS CB C 60 29.050 29.050 30.260 -1.210 18227 14142 1 40 . 1 1 60 60 HIS H H 60 8.425 8.425 7.284 1.141 18227 14143 1 40 . 1 1 61 61 HIS N N 61 118.329 118.329 128.987 -10.658 18227 14144 1 40 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.754 0.119 18227 14145 1 40 . 1 1 61 61 HIS C C 61 174.139 174.139 174.221 -0.082 18227 14146 1 40 . 1 1 61 61 HIS CA C 61 55.794 55.794 54.731 1.063 18227 14147 1 40 . 1 1 61 61 HIS CB C 61 29.270 29.270 28.166 1.104 18227 14148 1 40 . 1 1 61 61 HIS H H 61 8.573 8.573 8.628 -0.055 18227 14149 1 40 . 1 1 62 62 HIS N N 62 118.968 118.968 118.699 0.269 18227 14150 1 40 . 1 1 62 62 HIS HA H 62 4.875 4.875 3.865 1.010 18227 14151 1 40 . 1 1 62 62 HIS C C 62 173.827 173.827 175.042 -1.215 18227 14152 1 40 . 1 1 62 62 HIS CA C 62 55.768 55.768 56.699 -0.930 18227 14153 1 40 . 1 1 62 62 HIS CB C 62 29.268 29.268 27.352 1.916 18227 14154 1 40 . 1 1 62 62 HIS H H 62 8.662 8.662 7.234 1.428 18227 14155 1 40 . 1 1 63 63 HIS N N 63 118.949 118.949 119.578 -0.629 18227 14156 1 40 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.047 0.803 18227 14157 1 40 . 1 1 63 63 HIS C C 63 173.433 173.433 174.961 -1.528 18227 14158 1 40 . 1 1 63 63 HIS CA C 63 55.789 55.789 56.896 -1.107 18227 14159 1 40 . 1 1 63 63 HIS CB C 63 29.462 29.462 29.256 0.206 18227 14160 1 40 . 1 1 63 63 HIS H H 63 8.518 8.518 9.058 -0.540 18227 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 61 2.682 -0.038 2.704 18227 2 1 1 "Average Difference" HA 66 0.360 -0.221 0.286 18227 3 1 1 "Average Difference" C 62 1.168 -0.317 1.133 18227 4 1 1 "Average Difference" CA 62 1.089 -0.098 1.093 18227 5 1 1 "Average Difference" CB 54 1.448 0.449 1.390 18227 6 1 1 "Average Difference" HN 61 0.506 -0.087 0.503 18227 7 1 2 "Average Difference" N 61 2.435 -0.094 2.453 18227 8 1 2 "Average Difference" HA 66 0.396 -0.261 0.300 18227 9 1 2 "Average Difference" C 62 1.120 -0.100 1.125 18227 10 1 2 "Average Difference" CA 62 1.277 0.017 1.287 18227 11 1 2 "Average Difference" CB 54 1.198 0.356 1.155 18227 12 1 2 "Average Difference" HN 61 0.499 -0.119 0.489 18227 13 1 3 "Average Difference" N 61 2.569 -0.295 2.573 18227 14 1 3 "Average Difference" HA 66 0.369 -0.209 0.306 18227 15 1 3 "Average Difference" C 62 1.236 -0.235 1.224 18227 16 1 3 "Average Difference" CA 62 1.269 0.031 1.279 18227 17 1 3 "Average Difference" CB 54 1.381 0.447 1.319 18227 18 1 3 "Average Difference" HN 61 0.462 -0.140 0.444 18227 19 1 4 "Average Difference" N 61 2.398 0.099 2.416 18227 20 1 4 "Average Difference" HA 66 0.368 -0.217 0.300 18227 21 1 4 "Average Difference" C 62 1.256 -0.239 1.243 18227 22 1 4 "Average Difference" CA 62 1.226 -0.042 1.236 18227 23 1 4 "Average Difference" CB 54 1.337 0.257 1.324 18227 24 1 4 "Average Difference" HN 61 0.486 -0.158 0.464 18227 25 1 5 "Average Difference" N 61 2.014 0.099 2.029 18227 26 1 5 "Average Difference" HA 66 0.339 -0.234 0.247 18227 27 1 5 "Average Difference" C 62 0.997 -0.018 1.005 18227 28 1 5 "Average Difference" CA 62 1.063 0.193 1.053 18227 29 1 5 "Average Difference" CB 54 1.149 0.214 1.140 18227 30 1 5 "Average Difference" HN 61 0.507 -0.074 0.506 18227 31 1 6 "Average Difference" N 61 2.412 -0.306 2.413 18227 32 1 6 "Average Difference" HA 66 0.338 -0.134 0.312 18227 33 1 6 "Average Difference" C 62 1.309 -0.341 1.274 18227 34 1 6 "Average Difference" CA 62 1.298 -0.054 1.308 18227 35 1 6 "Average Difference" CB 54 1.275 0.439 1.208 18227 36 1 6 "Average Difference" HN 61 0.531 -0.079 0.529 18227 37 1 7 "Average Difference" N 61 2.651 0.189 2.666 18227 38 1 7 "Average Difference" HA 66 0.396 -0.249 0.310 18227 39 1 7 "Average Difference" C 62 1.304 -0.158 1.305 18227 40 1 7 "Average Difference" CA 62 1.201 -0.001 1.210 18227 41 1 7 "Average Difference" CB 54 1.241 0.334 1.207 18227 42 1 7 "Average Difference" HN 61 0.583 -0.146 0.569 18227 43 1 8 "Average Difference" N 61 2.287 -0.093 2.304 18227 44 1 8 "Average Difference" HA 66 0.345 -0.190 0.290 18227 45 1 8 "Average Difference" C 62 1.426 -0.285 1.409 18227 46 1 8 "Average Difference" CA 62 1.380 -0.167 1.381 18227 47 1 8 "Average Difference" CB 54 1.165 0.313 1.132 18227 48 1 8 "Average Difference" HN 61 0.473 -0.194 0.436 18227 49 1 9 "Average Difference" N 61 2.555 0.161 2.571 18227 50 1 9 "Average Difference" HA 66 0.383 -0.237 0.303 18227 51 1 9 "Average Difference" C 62 1.216 -0.264 1.197 18227 52 1 9 "Average Difference" CA 62 1.286 0.003 1.296 18227 53 1 9 "Average Difference" CB 54 1.240 0.333 1.206 18227 54 1 9 "Average Difference" HN 61 0.564 -0.199 0.532 18227 55 1 10 "Average Difference" N 61 2.773 -0.147 2.792 18227 56 1 10 "Average Difference" HA 66 0.356 -0.214 0.287 18227 57 1 10 "Average Difference" C 62 1.335 -0.335 1.303 18227 58 1 10 "Average Difference" CA 62 1.235 -0.189 1.231 18227 59 1 10 "Average Difference" CB 54 1.161 0.308 1.130 18227 60 1 10 "Average Difference" HN 61 0.541 -0.129 0.530 18227 61 1 11 "Average Difference" N 61 2.513 -0.302 2.515 18227 62 1 11 "Average Difference" HA 66 0.359 -0.236 0.273 18227 63 1 11 "Average Difference" C 62 1.340 -0.303 1.316 18227 64 1 11 "Average Difference" CA 62 1.361 -0.072 1.370 18227 65 1 11 "Average Difference" CB 54 1.207 0.359 1.163 18227 66 1 11 "Average Difference" HN 61 0.525 -0.119 0.516 18227 67 1 12 "Average Difference" N 61 2.623 -0.219 2.635 18227 68 1 12 "Average Difference" HA 66 0.384 -0.237 0.305 18227 69 1 12 "Average Difference" C 62 1.143 -0.301 1.111 18227 70 1 12 "Average Difference" CA 62 1.218 -0.103 1.223 18227 71 1 12 "Average Difference" CB 54 1.417 0.387 1.376 18227 72 1 12 "Average Difference" HN 61 0.541 -0.195 0.509 18227 73 1 13 "Average Difference" N 61 2.388 0.151 2.403 18227 74 1 13 "Average Difference" HA 66 0.348 -0.208 0.281 18227 75 1 13 "Average Difference" C 62 1.292 -0.170 1.291 18227 76 1 13 "Average Difference" CA 62 1.419 -0.023 1.431 18227 77 1 13 "Average Difference" CB 54 1.349 0.284 1.331 18227 78 1 13 "Average Difference" HN 61 0.488 -0.147 0.469 18227 79 1 14 "Average Difference" N 61 2.850 -0.379 2.848 18227 80 1 14 "Average Difference" HA 66 0.397 -0.225 0.329 18227 81 1 14 "Average Difference" C 62 1.318 -0.443 1.251 18227 82 1 14 "Average Difference" CA 62 1.214 -0.228 1.203 18227 83 1 14 "Average Difference" CB 54 1.559 0.425 1.514 18227 84 1 14 "Average Difference" HN 61 0.517 -0.112 0.508 18227 85 1 15 "Average Difference" N 61 2.155 0.002 2.173 18227 86 1 15 "Average Difference" HA 66 0.353 -0.220 0.278 18227 87 1 15 "Average Difference" C 62 1.152 -0.089 1.158 18227 88 1 15 "Average Difference" CA 62 1.047 0.094 1.051 18227 89 1 15 "Average Difference" CB 54 1.440 0.503 1.361 18227 90 1 15 "Average Difference" HN 61 0.459 -0.116 0.447 18227 91 1 16 "Average Difference" N 61 2.513 -0.138 2.530 18227 92 1 16 "Average Difference" HA 66 0.363 -0.200 0.306 18227 93 1 16 "Average Difference" C 62 1.457 -0.301 1.437 18227 94 1 16 "Average Difference" CA 62 1.454 -0.056 1.465 18227 95 1 16 "Average Difference" CB 54 1.446 0.485 1.374 18227 96 1 16 "Average Difference" HN 61 0.470 -0.074 0.468 18227 97 1 17 "Average Difference" N 61 2.553 0.300 2.557 18227 98 1 17 "Average Difference" HA 66 0.339 -0.200 0.276 18227 99 1 17 "Average Difference" C 62 1.317 -0.071 1.326 18227 100 1 17 "Average Difference" CA 62 1.266 0.187 1.262 18227 101 1 17 "Average Difference" CB 54 1.285 0.291 1.263 18227 102 1 17 "Average Difference" HN 61 0.476 -0.082 0.473 18227 103 1 18 "Average Difference" N 61 2.486 -0.018 2.507 18227 104 1 18 "Average Difference" HA 66 0.380 -0.230 0.306 18227 105 1 18 "Average Difference" C 62 1.306 -0.240 1.294 18227 106 1 18 "Average Difference" CA 62 1.360 -0.027 1.371 18227 107 1 18 "Average Difference" CB 54 1.300 0.269 1.284 18227 108 1 18 "Average Difference" HN 61 0.533 -0.111 0.526 18227 109 1 19 "Average Difference" N 61 2.340 -0.263 2.344 18227 110 1 19 "Average Difference" HA 66 0.352 -0.190 0.298 18227 111 1 19 "Average Difference" C 62 1.392 -0.343 1.360 18227 112 1 19 "Average Difference" CA 62 1.392 -0.191 1.390 18227 113 1 19 "Average Difference" CB 54 1.405 0.438 1.347 18227 114 1 19 "Average Difference" HN 61 0.494 -0.152 0.474 18227 115 1 20 "Average Difference" N 61 2.492 -0.399 2.481 18227 116 1 20 "Average Difference" HA 66 0.374 -0.222 0.303 18227 117 1 20 "Average Difference" C 62 1.311 -0.402 1.258 18227 118 1 20 "Average Difference" CA 62 1.218 -0.199 1.212 18227 119 1 20 "Average Difference" CB 54 1.349 0.453 1.283 18227 120 1 20 "Average Difference" HN 61 0.553 -0.112 0.546 18227 121 1 21 "Average Difference" N 61 2.486 -0.137 2.502 18227 122 1 21 "Average Difference" HA 66 0.365 -0.237 0.281 18227 123 1 21 "Average Difference" C 62 1.311 -0.212 1.305 18227 124 1 21 "Average Difference" CA 62 1.366 -0.027 1.377 18227 125 1 21 "Average Difference" CB 54 1.407 0.251 1.397 18227 126 1 21 "Average Difference" HN 61 0.541 -0.140 0.527 18227 127 1 22 "Average Difference" N 61 2.660 -0.242 2.671 18227 128 1 22 "Average Difference" HA 66 0.376 -0.203 0.319 18227 129 1 22 "Average Difference" C 62 1.386 -0.132 1.391 18227 130 1 22 "Average Difference" CA 62 1.319 0.129 1.323 18227 131 1 22 "Average Difference" CB 54 1.219 0.269 1.200 18227 132 1 22 "Average Difference" HN 61 0.532 -0.089 0.529 18227 133 1 23 "Average Difference" N 61 2.449 -0.325 2.447 18227 134 1 23 "Average Difference" HA 66 0.391 -0.231 0.318 18227 135 1 23 "Average Difference" C 62 1.308 -0.284 1.288 18227 136 1 23 "Average Difference" CA 62 1.440 -0.144 1.445 18227 137 1 23 "Average Difference" CB 54 1.198 0.329 1.163 18227 138 1 23 "Average Difference" HN 61 0.547 -0.167 0.525 18227 139 1 24 "Average Difference" N 61 2.175 -0.215 2.183 18227 140 1 24 "Average Difference" HA 66 0.361 -0.214 0.293 18227 141 1 24 "Average Difference" C 62 1.125 -0.373 1.070 18227 142 1 24 "Average Difference" CA 62 1.163 0.031 1.172 18227 143 1 24 "Average Difference" CB 54 1.344 0.384 1.300 18227 144 1 24 "Average Difference" HN 61 0.470 -0.110 0.461 18227 145 1 25 "Average Difference" N 61 2.724 0.194 2.740 18227 146 1 25 "Average Difference" HA 66 0.377 -0.210 0.315 18227 147 1 25 "Average Difference" C 62 1.313 -0.288 1.292 18227 148 1 25 "Average Difference" CA 62 1.291 -0.106 1.297 18227 149 1 25 "Average Difference" CB 54 1.193 0.300 1.165 18227 150 1 25 "Average Difference" HN 61 0.482 -0.180 0.451 18227 151 1 26 "Average Difference" N 61 2.371 -0.255 2.377 18227 152 1 26 "Average Difference" HA 66 0.390 -0.212 0.330 18227 153 1 26 "Average Difference" C 62 1.403 -0.302 1.382 18227 154 1 26 "Average Difference" CA 62 1.415 -0.105 1.423 18227 155 1 26 "Average Difference" CB 54 1.220 0.428 1.153 18227 156 1 26 "Average Difference" HN 61 0.431 -0.102 0.422 18227 157 1 27 "Average Difference" N 61 2.445 -0.073 2.464 18227 158 1 27 "Average Difference" HA 66 0.421 -0.249 0.342 18227 159 1 27 "Average Difference" C 62 1.158 -0.319 1.123 18227 160 1 27 "Average Difference" CA 62 1.256 -0.079 1.263 18227 161 1 27 "Average Difference" CB 54 1.300 0.242 1.289 18227 162 1 27 "Average Difference" HN 61 0.544 -0.159 0.524 18227 163 1 28 "Average Difference" N 61 2.322 0.228 2.330 18227 164 1 28 "Average Difference" HA 66 0.360 -0.218 0.289 18227 165 1 28 "Average Difference" C 62 1.082 -0.368 1.025 18227 166 1 28 "Average Difference" CA 62 0.987 -0.045 0.994 18227 167 1 28 "Average Difference" CB 54 1.278 0.219 1.270 18227 168 1 28 "Average Difference" HN 61 0.524 -0.152 0.505 18227 169 1 29 "Average Difference" N 61 2.628 -0.325 2.630 18227 170 1 29 "Average Difference" HA 66 0.384 -0.225 0.314 18227 171 1 29 "Average Difference" C 62 1.391 -0.402 1.343 18227 172 1 29 "Average Difference" CA 62 1.426 -0.190 1.424 18227 173 1 29 "Average Difference" CB 54 1.436 0.376 1.399 18227 174 1 29 "Average Difference" HN 61 0.561 -0.177 0.537 18227 175 1 30 "Average Difference" N 61 2.401 -0.111 2.418 18227 176 1 30 "Average Difference" HA 66 0.395 -0.197 0.345 18227 177 1 30 "Average Difference" C 62 1.362 -0.192 1.359 18227 178 1 30 "Average Difference" CA 62 1.256 -0.049 1.266 18227 179 1 30 "Average Difference" CB 54 1.299 0.411 1.244 18227 180 1 30 "Average Difference" HN 61 0.478 -0.125 0.465 18227 181 1 31 "Average Difference" N 61 2.383 0.115 2.400 18227 182 1 31 "Average Difference" HA 66 0.308 -0.193 0.242 18227 183 1 31 "Average Difference" C 62 1.330 0.032 1.341 18227 184 1 31 "Average Difference" CA 62 1.401 0.114 1.408 18227 185 1 31 "Average Difference" CB 54 1.120 0.225 1.108 18227 186 1 31 "Average Difference" HN 61 0.492 -0.099 0.486 18227 187 1 32 "Average Difference" N 61 2.426 -0.425 2.408 18227 188 1 32 "Average Difference" HA 66 0.399 -0.266 0.300 18227 189 1 32 "Average Difference" C 62 1.295 -0.446 1.225 18227 190 1 32 "Average Difference" CA 62 1.237 -0.146 1.238 18227 191 1 32 "Average Difference" CB 54 1.371 0.325 1.344 18227 192 1 32 "Average Difference" HN 61 0.507 -0.159 0.486 18227 193 1 33 "Average Difference" N 61 2.773 -0.060 2.795 18227 194 1 33 "Average Difference" HA 66 0.412 -0.215 0.355 18227 195 1 33 "Average Difference" C 62 1.363 -0.519 1.271 18227 196 1 33 "Average Difference" CA 62 1.296 -0.214 1.288 18227 197 1 33 "Average Difference" CB 54 1.299 0.378 1.254 18227 198 1 33 "Average Difference" HN 61 0.559 -0.142 0.545 18227 199 1 34 "Average Difference" N 61 2.415 -0.459 2.391 18227 200 1 34 "Average Difference" HA 66 0.376 -0.212 0.313 18227 201 1 34 "Average Difference" C 62 1.388 -0.378 1.347 18227 202 1 34 "Average Difference" CA 62 1.441 -0.121 1.448 18227 203 1 34 "Average Difference" CB 54 1.380 0.444 1.319 18227 204 1 34 "Average Difference" HN 61 0.491 -0.134 0.477 18227 205 1 35 "Average Difference" N 61 2.376 -0.084 2.394 18227 206 1 35 "Average Difference" HA 66 0.368 -0.185 0.320 18227 207 1 35 "Average Difference" C 62 1.217 -0.344 1.177 18227 208 1 35 "Average Difference" CA 62 1.114 -0.003 1.123 18227 209 1 35 "Average Difference" CB 54 1.315 0.377 1.271 18227 210 1 35 "Average Difference" HN 61 0.493 -0.121 0.482 18227 211 1 36 "Average Difference" N 61 2.428 -0.116 2.446 18227 212 1 36 "Average Difference" HA 66 0.369 -0.172 0.329 18227 213 1 36 "Average Difference" C 62 1.340 -0.316 1.312 18227 214 1 36 "Average Difference" CA 62 1.388 -0.073 1.397 18227 215 1 36 "Average Difference" CB 54 1.254 0.361 1.212 18227 216 1 36 "Average Difference" HN 61 0.462 -0.129 0.447 18227 217 1 37 "Average Difference" N 61 2.799 -0.374 2.797 18227 218 1 37 "Average Difference" HA 66 0.365 -0.143 0.339 18227 219 1 37 "Average Difference" C 62 1.491 -0.505 1.415 18227 220 1 37 "Average Difference" CA 62 1.457 -0.154 1.461 18227 221 1 37 "Average Difference" CB 54 1.413 0.528 1.323 18227 222 1 37 "Average Difference" HN 61 0.477 -0.158 0.454 18227 223 1 38 "Average Difference" N 61 2.492 -0.521 2.457 18227 224 1 38 "Average Difference" HA 66 0.378 -0.192 0.328 18227 225 1 38 "Average Difference" C 62 1.476 -0.459 1.414 18227 226 1 38 "Average Difference" CA 62 1.369 -0.254 1.357 18227 227 1 38 "Average Difference" CB 54 1.336 0.451 1.269 18227 228 1 38 "Average Difference" HN 61 0.455 -0.178 0.422 18227 229 1 39 "Average Difference" N 61 2.673 -0.004 2.696 18227 230 1 39 "Average Difference" HA 66 0.380 -0.236 0.300 18227 231 1 39 "Average Difference" C 62 1.195 -0.184 1.190 18227 232 1 39 "Average Difference" CA 62 1.291 0.011 1.301 18227 233 1 39 "Average Difference" CB 54 1.388 0.293 1.369 18227 234 1 39 "Average Difference" HN 61 0.484 -0.129 0.470 18227 235 1 40 "Average Difference" N 61 2.713 -0.121 2.733 18227 236 1 40 "Average Difference" HA 66 0.371 -0.203 0.313 18227 237 1 40 "Average Difference" C 62 1.166 -0.326 1.128 18227 238 1 40 "Average Difference" CA 62 1.269 -0.189 1.265 18227 239 1 40 "Average Difference" CB 54 1.331 0.269 1.316 18227 240 1 40 "Average Difference" HN 61 0.521 -0.137 0.507 18227 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 18227 _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 GLU N N 2 122.322 122.322 121.878 0.444 18227 2 1 . 1 1 2 2 GLU HA H 2 4.678 4.678 4.444 0.234 18227 3 1 . 1 1 2 2 GLU C C 2 175.160 175.160 175.689 -0.529 18227 4 1 . 1 1 2 2 GLU CA C 2 56.093 56.093 56.534 -0.441 18227 5 1 . 1 1 2 2 GLU CB C 2 29.175 29.175 29.881 -0.706 18227 6 1 . 1 1 2 2 GLU H H 2 8.641 8.641 8.408 0.233 18227 7 1 . 1 1 3 3 GLU N N 3 121.391 121.391 120.371 1.020 18227 8 1 . 1 1 3 3 GLU HA H 3 4.630 4.630 4.314 0.316 18227 9 1 . 1 1 3 3 GLU C C 3 176.097 176.097 175.864 0.233 18227 10 1 . 1 1 3 3 GLU CA C 3 56.087 56.087 56.569 -0.482 18227 11 1 . 1 1 3 3 GLU CB C 3 29.184 29.184 30.302 -1.118 18227 12 1 . 1 1 3 3 GLU H H 3 8.448 8.448 8.422 0.026 18227 13 1 . 1 1 4 4 GLY N N 4 109.002 109.002 108.963 0.039 18227 14 1 . 1 1 4 4 GLY C C 4 174.407 174.407 173.998 0.409 18227 15 1 . 1 1 4 4 GLY CA C 4 45.445 45.445 45.084 0.361 18227 16 1 . 1 1 4 4 GLY H H 4 8.333 8.333 8.490 -0.157 18227 17 1 . 1 1 5 5 GLY N N 5 107.419 107.419 109.156 -1.737 18227 18 1 . 1 1 5 5 GLY C C 5 173.914 173.914 173.260 0.654 18227 19 1 . 1 1 5 5 GLY CA C 5 45.490 45.490 45.228 0.262 18227 20 1 . 1 1 5 5 GLY H H 5 8.120 8.120 8.251 -0.131 18227 21 1 . 1 1 6 6 ASP N N 6 117.918 117.918 119.768 -1.850 18227 22 1 . 1 1 6 6 ASP HA H 6 4.906 4.906 4.507 0.399 18227 23 1 . 1 1 6 6 ASP C C 6 175.114 175.114 175.110 0.004 18227 24 1 . 1 1 6 6 ASP CA C 6 53.119 53.119 53.694 -0.575 18227 25 1 . 1 1 6 6 ASP CB C 6 37.959 37.959 40.858 -2.899 18227 26 1 . 1 1 6 6 ASP H H 6 8.204 8.204 8.023 0.181 18227 27 1 . 1 1 7 7 PHE N N 7 119.801 119.801 119.559 0.242 18227 28 1 . 1 1 7 7 PHE HA H 7 4.710 4.710 4.453 0.257 18227 29 1 . 1 1 7 7 PHE C C 7 175.789 175.789 175.358 0.431 18227 30 1 . 1 1 7 7 PHE CA C 7 58.676 58.676 58.088 0.588 18227 31 1 . 1 1 7 7 PHE CB C 7 39.169 39.169 39.253 -0.084 18227 32 1 . 1 1 7 7 PHE H H 7 8.072 8.072 7.901 0.171 18227 33 1 . 1 1 8 8 ASP N N 8 117.963 117.963 121.357 -3.394 18227 34 1 . 1 1 8 8 ASP HA H 8 4.777 4.777 4.575 0.202 18227 35 1 . 1 1 8 8 ASP C C 8 174.919 174.919 175.995 -1.076 18227 36 1 . 1 1 8 8 ASP CA C 8 53.580 53.580 54.192 -0.612 18227 37 1 . 1 1 8 8 ASP CB C 8 37.723 37.723 41.020 -3.297 18227 38 1 . 1 1 8 8 ASP H H 8 8.184 8.184 8.549 -0.365 18227 39 1 . 1 1 9 9 ASN N N 9 117.736 117.736 117.633 0.103 18227 40 1 . 1 1 9 9 ASN HA H 9 4.790 4.790 4.367 0.423 18227 41 1 . 1 1 9 9 ASN C C 9 174.974 174.974 175.525 -0.551 18227 42 1 . 1 1 9 9 ASN CA C 9 53.736 53.736 54.850 -1.114 18227 43 1 . 1 1 9 9 ASN CB C 9 38.570 38.570 38.244 0.326 18227 44 1 . 1 1 9 9 ASN H H 9 8.080 8.080 8.091 -0.011 18227 45 1 . 1 1 10 10 TYR N N 10 119.580 119.580 118.841 0.739 18227 46 1 . 1 1 10 10 TYR HA H 10 4.626 4.626 4.236 0.390 18227 47 1 . 1 1 10 10 TYR C C 10 175.935 175.935 175.356 0.579 18227 48 1 . 1 1 10 10 TYR CA C 10 58.779 58.779 59.178 -0.399 18227 49 1 . 1 1 10 10 TYR CB C 10 38.514 38.514 37.631 0.883 18227 50 1 . 1 1 10 10 TYR H H 10 7.869 7.869 8.189 -0.320 18227 51 1 . 1 1 11 11 TYR N N 11 120.254 120.254 120.916 -0.662 18227 52 1 . 1 1 11 11 TYR HA H 11 4.619 4.619 4.185 0.434 18227 53 1 . 1 1 11 11 TYR C C 11 176.666 176.666 174.869 1.797 18227 54 1 . 1 1 11 11 TYR CA C 11 58.856 58.856 58.748 0.108 18227 55 1 . 1 1 11 11 TYR CB C 11 38.488 38.488 37.436 1.052 18227 56 1 . 1 1 11 11 TYR H H 11 7.906 7.906 8.396 -0.490 18227 57 1 . 1 1 12 12 GLY N N 12 108.226 108.226 104.966 3.260 18227 58 1 . 1 1 12 12 GLY C C 12 174.314 174.314 173.219 1.095 18227 59 1 . 1 1 12 12 GLY CA C 12 45.780 45.780 45.672 0.108 18227 60 1 . 1 1 12 12 GLY H H 12 7.817 7.817 7.902 -0.085 18227 61 1 . 1 1 13 13 ALA N N 13 122.970 122.970 122.129 0.841 18227 62 1 . 1 1 13 13 ALA HA H 13 4.470 4.470 4.525 -0.055 18227 63 1 . 1 1 13 13 ALA C C 13 178.137 178.137 177.271 0.866 18227 64 1 . 1 1 13 13 ALA CA C 13 53.450 53.450 52.875 0.575 18227 65 1 . 1 1 13 13 ALA CB C 13 18.683 18.683 19.865 -1.182 18227 66 1 . 1 1 13 13 ALA H H 13 7.913 7.913 7.947 -0.034 18227 67 1 . 1 1 14 14 ASP N N 14 116.374 116.374 118.494 -2.120 18227 68 1 . 1 1 14 14 ASP HA H 14 4.875 4.875 4.561 0.314 18227 69 1 . 1 1 14 14 ASP C C 14 175.450 175.450 177.382 -1.932 18227 70 1 . 1 1 14 14 ASP CA C 14 53.640 53.640 55.443 -1.803 18227 71 1 . 1 1 14 14 ASP CB C 14 37.862 37.862 40.756 -2.894 18227 72 1 . 1 1 14 14 ASP H H 14 8.348 8.348 8.275 0.073 18227 73 1 . 1 1 15 15 ASN N N 15 118.423 118.423 118.045 0.378 18227 74 1 . 1 1 15 15 ASN HA H 15 4.870 4.870 4.397 0.473 18227 75 1 . 1 1 15 15 ASN C C 15 176.054 176.054 176.258 -0.204 18227 76 1 . 1 1 15 15 ASN CA C 15 54.428 54.428 55.856 -1.428 18227 77 1 . 1 1 15 15 ASN CB C 15 38.682 38.682 38.320 0.362 18227 78 1 . 1 1 15 15 ASN H H 15 8.272 8.272 8.633 -0.361 18227 79 1 . 1 1 16 16 GLN N N 16 120.129 120.129 114.880 5.249 18227 80 1 . 1 1 16 16 GLN HA H 16 4.416 4.416 4.306 0.110 18227 81 1 . 1 1 16 16 GLN C C 16 177.337 177.337 176.646 0.691 18227 82 1 . 1 1 16 16 GLN CA C 16 58.256 58.256 57.397 0.859 18227 83 1 . 1 1 16 16 GLN CB C 16 28.784 28.784 28.644 0.140 18227 84 1 . 1 1 16 16 GLN H H 16 8.481 8.481 8.212 0.269 18227 85 1 . 1 1 17 17 SER N N 17 115.051 115.051 116.662 -1.611 18227 86 1 . 1 1 17 17 SER HA H 17 4.505 4.505 4.386 0.119 18227 87 1 . 1 1 17 17 SER C C 17 175.596 175.596 176.268 -0.672 18227 88 1 . 1 1 17 17 SER CA C 17 60.767 60.767 60.513 0.254 18227 89 1 . 1 1 17 17 SER CB C 17 63.325 63.325 63.920 -0.595 18227 90 1 . 1 1 17 17 SER H H 17 8.380 8.380 8.028 0.352 18227 91 1 . 1 1 18 18 GLU N N 18 120.901 120.901 121.912 -1.011 18227 92 1 . 1 1 18 18 GLU HA H 18 4.459 4.459 4.053 0.406 18227 93 1 . 1 1 18 18 GLU C C 18 177.867 177.867 178.369 -0.502 18227 94 1 . 1 1 18 18 GLU CA C 18 58.223 58.223 59.294 -1.071 18227 95 1 . 1 1 18 18 GLU CB C 18 28.065 28.065 29.148 -1.083 18227 96 1 . 1 1 18 18 GLU H H 18 8.233 8.233 8.444 -0.211 18227 97 1 . 1 1 19 19 CYS N N 19 118.899 118.899 116.346 2.553 18227 98 1 . 1 1 19 19 CYS HA H 19 4.476 4.476 4.351 0.125 18227 99 1 . 1 1 19 19 CYS C C 19 175.896 175.896 176.118 -0.222 18227 100 1 . 1 1 19 19 CYS CA C 19 61.262 61.262 61.409 -0.147 18227 101 1 . 1 1 19 19 CYS CB C 19 27.059 27.059 27.783 -0.724 18227 102 1 . 1 1 19 19 CYS H H 19 8.245 8.245 8.053 0.192 18227 103 1 . 1 1 20 20 GLU N N 20 120.324 120.324 119.235 1.089 18227 104 1 . 1 1 20 20 GLU HA H 20 4.327 4.327 4.333 -0.006 18227 105 1 . 1 1 20 20 GLU C C 20 177.163 177.163 177.784 -0.621 18227 106 1 . 1 1 20 20 GLU CA C 20 58.372 58.372 57.460 0.912 18227 107 1 . 1 1 20 20 GLU CB C 20 28.044 28.044 29.414 -1.370 18227 108 1 . 1 1 20 20 GLU H H 20 8.299 8.299 8.198 0.101 18227 109 1 . 1 1 21 21 TYR N N 21 118.601 118.601 122.122 -3.521 18227 110 1 . 1 1 21 21 TYR HA H 21 4.605 4.605 4.371 0.234 18227 111 1 . 1 1 21 21 TYR C C 21 177.166 177.166 177.098 0.068 18227 112 1 . 1 1 21 21 TYR CA C 21 60.406 60.406 62.133 -1.727 18227 113 1 . 1 1 21 21 TYR CB C 21 38.478 38.478 38.672 -0.194 18227 114 1 . 1 1 21 21 TYR H H 21 8.165 8.165 8.577 -0.412 18227 115 1 . 1 1 22 22 THR N N 22 112.362 112.362 110.813 1.549 18227 116 1 . 1 1 22 22 THR HA H 22 4.203 4.203 4.077 0.126 18227 117 1 . 1 1 22 22 THR C C 22 176.226 176.226 175.336 0.890 18227 118 1 . 1 1 22 22 THR CA C 22 64.825 64.825 64.621 0.204 18227 119 1 . 1 1 22 22 THR CB C 22 69.471 69.471 68.441 1.030 18227 120 1 . 1 1 22 22 THR H H 22 8.063 8.063 8.140 -0.077 18227 121 1 . 1 1 23 23 ASP N N 23 121.414 121.414 121.422 -0.008 18227 122 1 . 1 1 23 23 ASP HA H 23 4.743 4.743 4.698 0.045 18227 123 1 . 1 1 23 23 ASP C C 23 176.664 176.664 177.338 -0.674 18227 124 1 . 1 1 23 23 ASP CA C 23 55.159 55.159 56.584 -1.425 18227 125 1 . 1 1 23 23 ASP CB C 23 37.475 37.475 41.613 -4.138 18227 126 1 . 1 1 23 23 ASP H H 23 8.355 8.355 7.913 0.442 18227 127 1 . 1 1 24 24 TRP N N 24 121.858 121.858 122.949 -1.091 18227 128 1 . 1 1 24 24 TRP HA H 24 4.640 4.640 4.081 0.559 18227 129 1 . 1 1 24 24 TRP C C 24 178.311 178.311 177.550 0.761 18227 130 1 . 1 1 24 24 TRP CA C 24 59.644 59.644 61.114 -1.470 18227 131 1 . 1 1 24 24 TRP CB C 24 28.743 28.743 29.333 -0.590 18227 132 1 . 1 1 24 24 TRP H H 24 8.363 8.363 8.659 -0.296 18227 133 1 . 1 1 25 25 LYS N N 25 120.099 120.099 117.404 2.695 18227 134 1 . 1 1 25 25 LYS HA H 25 4.076 4.076 2.431 1.645 18227 135 1 . 1 1 25 25 LYS C C 25 177.946 177.946 177.870 0.075 18227 136 1 . 1 1 25 25 LYS CA C 25 58.134 58.134 58.179 -0.045 18227 137 1 . 1 1 25 25 LYS CB C 25 32.270 32.270 31.664 0.606 18227 138 1 . 1 1 25 25 LYS H H 25 8.291 8.291 7.381 0.910 18227 139 1 . 1 1 26 26 SER N N 26 113.558 113.558 112.567 0.991 18227 140 1 . 1 1 26 26 SER HA H 26 4.541 4.541 4.351 0.190 18227 141 1 . 1 1 26 26 SER C C 26 175.212 175.212 175.683 -0.471 18227 142 1 . 1 1 26 26 SER CA C 26 59.813 59.813 60.118 -0.305 18227 143 1 . 1 1 26 26 SER CB C 26 63.672 63.672 64.275 -0.603 18227 144 1 . 1 1 26 26 SER H H 26 8.088 8.088 7.896 0.192 18227 145 1 . 1 1 27 27 SER N N 27 116.456 116.456 117.388 -0.932 18227 146 1 . 1 1 27 27 SER HA H 27 4.534 4.534 4.457 0.077 18227 147 1 . 1 1 27 27 SER C C 27 175.216 175.216 175.483 -0.267 18227 148 1 . 1 1 27 27 SER CA C 27 60.042 60.042 59.478 0.564 18227 149 1 . 1 1 27 27 SER CB C 27 63.782 63.782 63.033 0.749 18227 150 1 . 1 1 27 27 SER H H 27 8.025 8.025 8.437 -0.412 18227 151 1 . 1 1 28 28 GLY N N 28 108.769 108.769 108.264 0.505 18227 152 1 . 1 1 28 28 GLY C C 28 174.198 174.198 173.644 0.554 18227 153 1 . 1 1 28 28 GLY CA C 28 45.875 45.875 44.949 0.926 18227 154 1 . 1 1 28 28 GLY H H 28 8.051 8.051 7.808 0.243 18227 155 1 . 1 1 29 29 ALA N N 29 121.719 121.719 122.395 -0.676 18227 156 1 . 1 1 29 29 ALA HA H 29 4.411 4.411 4.437 -0.026 18227 157 1 . 1 1 29 29 ALA C C 29 177.554 177.554 176.829 0.725 18227 158 1 . 1 1 29 29 ALA CA C 29 53.085 53.085 52.829 0.256 18227 159 1 . 1 1 29 29 ALA CB C 29 18.774 18.774 18.561 0.213 18227 160 1 . 1 1 29 29 ALA H H 29 7.749 7.749 7.690 0.059 18227 161 1 . 1 1 30 30 LEU N N 30 118.220 118.220 112.575 5.645 18227 162 1 . 1 1 30 30 LEU HA H 30 4.546 4.546 4.559 -0.013 18227 163 1 . 1 1 30 30 LEU C C 30 176.978 176.978 177.408 -0.430 18227 164 1 . 1 1 30 30 LEU CA C 30 55.667 55.667 55.898 -0.231 18227 165 1 . 1 1 30 30 LEU CB C 30 42.756 42.756 42.405 0.351 18227 166 1 . 1 1 30 30 LEU H H 30 7.660 7.660 7.491 0.169 18227 167 1 . 1 1 31 31 ILE N N 31 118.934 118.934 121.456 -2.522 18227 168 1 . 1 1 31 31 ILE HA H 31 4.385 4.385 4.177 0.208 18227 169 1 . 1 1 31 31 ILE C C 31 175.025 175.025 174.913 0.112 18227 170 1 . 1 1 31 31 ILE CA C 31 62.676 62.676 65.691 -3.015 18227 171 1 . 1 1 31 31 ILE CB C 31 37.571 37.571 35.627 1.944 18227 172 1 . 1 1 31 31 ILE H H 31 7.446 7.446 7.882 -0.436 18227 173 1 . 1 1 32 32 PRO HA H 32 4.479 4.479 4.268 0.211 18227 174 1 . 1 1 32 32 PRO C C 32 177.601 177.601 178.094 -0.493 18227 175 1 . 1 1 32 32 PRO CA C 32 65.320 65.320 65.792 -0.472 18227 176 1 . 1 1 32 32 PRO CB C 32 31.235 31.235 30.778 0.457 18227 177 1 . 1 1 33 33 ALA N N 33 118.822 118.822 121.670 -2.848 18227 178 1 . 1 1 33 33 ALA HA H 33 4.367 4.367 4.103 0.264 18227 179 1 . 1 1 33 33 ALA C C 33 179.269 179.269 179.748 -0.479 18227 180 1 . 1 1 33 33 ALA CA C 33 54.817 54.817 55.116 -0.299 18227 181 1 . 1 1 33 33 ALA CB C 33 17.892 17.892 18.268 -0.376 18227 182 1 . 1 1 33 33 ALA H H 33 7.293 7.293 7.763 -0.470 18227 183 1 . 1 1 34 34 ILE N N 34 116.953 116.953 119.197 -2.244 18227 184 1 . 1 1 34 34 ILE HA H 34 4.090 4.090 3.675 0.415 18227 185 1 . 1 1 34 34 ILE C C 34 177.061 177.061 178.202 -1.141 18227 186 1 . 1 1 34 34 ILE CA C 34 63.985 63.985 64.730 -0.745 18227 187 1 . 1 1 34 34 ILE CB C 34 38.119 38.119 37.352 0.767 18227 188 1 . 1 1 34 34 ILE H H 34 7.766 7.766 7.843 -0.077 18227 189 1 . 1 1 35 35 TYR N N 35 118.432 118.432 119.417 -0.985 18227 190 1 . 1 1 35 35 TYR HA H 35 4.368 4.368 4.025 0.343 18227 191 1 . 1 1 35 35 TYR C C 35 178.052 178.052 178.328 -0.276 18227 192 1 . 1 1 35 35 TYR CA C 35 61.122 61.122 62.380 -1.258 18227 193 1 . 1 1 35 35 TYR CB C 35 37.936 37.936 38.276 -0.340 18227 194 1 . 1 1 35 35 TYR H H 35 7.988 7.988 7.900 0.088 18227 195 1 . 1 1 36 36 MET N N 36 117.042 117.042 117.828 -0.786 18227 196 1 . 1 1 36 36 MET HA H 36 4.534 4.534 4.191 0.343 18227 197 1 . 1 1 36 36 MET C C 36 177.734 177.734 178.617 -0.883 18227 198 1 . 1 1 36 36 MET CA C 36 58.272 58.272 57.967 0.305 18227 199 1 . 1 1 36 36 MET CB C 36 31.979 31.979 32.041 -0.062 18227 200 1 . 1 1 36 36 MET H H 36 7.934 7.934 8.438 -0.504 18227 201 1 . 1 1 37 37 LEU N N 37 120.539 120.539 119.796 0.743 18227 202 1 . 1 1 37 37 LEU HA H 37 4.343 4.343 4.076 0.267 18227 203 1 . 1 1 37 37 LEU C C 37 178.746 178.746 178.449 0.297 18227 204 1 . 1 1 37 37 LEU CA C 37 58.712 58.712 58.127 0.586 18227 205 1 . 1 1 37 37 LEU CB C 37 42.038 42.038 42.055 -0.017 18227 206 1 . 1 1 37 37 LEU H H 37 8.013 8.013 8.178 -0.165 18227 207 1 . 1 1 38 38 VAL N N 38 117.729 117.729 116.411 1.318 18227 208 1 . 1 1 38 38 VAL HA H 38 3.777 3.777 3.915 -0.138 18227 209 1 . 1 1 38 38 VAL C C 38 179.009 179.009 176.638 2.371 18227 210 1 . 1 1 38 38 VAL CA C 38 67.199 67.199 64.436 2.763 18227 211 1 . 1 1 38 38 VAL CB C 38 31.665 31.665 32.083 -0.418 18227 212 1 . 1 1 38 38 VAL H H 38 8.360 8.360 7.914 0.446 18227 213 1 . 1 1 39 39 PHE N N 39 120.549 120.549 121.781 -1.232 18227 214 1 . 1 1 39 39 PHE HA H 39 4.425 4.425 4.509 -0.084 18227 215 1 . 1 1 39 39 PHE C C 39 179.129 179.129 176.540 2.589 18227 216 1 . 1 1 39 39 PHE CA C 39 61.522 61.522 60.595 0.927 18227 217 1 . 1 1 39 39 PHE CB C 39 39.103 39.103 41.021 -1.918 18227 218 1 . 1 1 39 39 PHE H H 39 8.225 8.225 8.097 0.128 18227 219 1 . 1 1 40 40 LEU N N 40 122.778 122.778 115.588 7.190 18227 220 1 . 1 1 40 40 LEU HA H 40 4.167 4.167 4.425 -0.258 18227 221 1 . 1 1 40 40 LEU C C 40 180.673 180.673 177.006 3.667 18227 222 1 . 1 1 40 40 LEU CA C 40 58.638 58.638 56.780 1.858 18227 223 1 . 1 1 40 40 LEU CB C 40 42.164 42.164 41.717 0.447 18227 224 1 . 1 1 40 40 LEU H H 40 8.874 8.874 8.357 0.517 18227 225 1 . 1 1 41 41 LEU N N 41 122.144 122.144 118.523 3.621 18227 226 1 . 1 1 41 41 LEU HA H 41 4.236 4.236 4.470 -0.234 18227 227 1 . 1 1 41 41 LEU C C 41 180.709 180.709 178.079 2.630 18227 228 1 . 1 1 41 41 LEU CA C 41 58.470 58.470 56.011 2.459 18227 229 1 . 1 1 41 41 LEU CB C 41 41.778 41.778 42.751 -0.973 18227 230 1 . 1 1 41 41 LEU H H 41 9.193 9.193 7.613 1.580 18227 231 1 . 1 1 42 42 GLY N N 42 107.124 107.124 105.338 1.786 18227 232 1 . 1 1 42 42 GLY C C 42 176.537 176.537 174.695 1.842 18227 233 1 . 1 1 42 42 GLY CA C 42 46.733 46.733 45.876 0.857 18227 234 1 . 1 1 42 42 GLY H H 42 8.755 8.755 7.834 0.921 18227 235 1 . 1 1 43 43 THR N N 43 113.411 113.411 113.979 -0.568 18227 236 1 . 1 1 43 43 THR HA H 43 4.299 4.299 4.370 -0.071 18227 237 1 . 1 1 43 43 THR C C 43 176.797 176.797 174.073 2.724 18227 238 1 . 1 1 43 43 THR CA C 43 64.990 64.990 61.925 3.065 18227 239 1 . 1 1 43 43 THR CB C 43 69.731 69.731 68.886 0.845 18227 240 1 . 1 1 43 43 THR H H 43 8.179 8.179 7.726 0.453 18227 241 1 . 1 1 44 44 THR N N 44 114.667 114.667 115.890 -1.223 18227 242 1 . 1 1 44 44 THR HA H 44 4.366 4.366 4.444 -0.078 18227 243 1 . 1 1 44 44 THR C C 44 176.375 176.375 174.999 1.376 18227 244 1 . 1 1 44 44 THR CA C 44 64.833 64.833 63.798 1.035 18227 245 1 . 1 1 44 44 THR CB C 44 69.988 69.988 70.410 -0.422 18227 246 1 . 1 1 44 44 THR H H 44 8.026 8.026 7.646 0.380 18227 247 1 . 1 1 45 45 GLY N N 45 109.336 109.336 108.883 0.453 18227 248 1 . 1 1 45 45 GLY C C 45 174.924 174.924 174.487 0.437 18227 249 1 . 1 1 45 45 GLY CA C 45 46.727 46.727 45.154 1.573 18227 250 1 . 1 1 45 45 GLY H H 45 8.261 8.261 8.171 0.090 18227 251 1 . 1 1 46 46 ASN N N 46 117.547 117.547 118.980 -1.433 18227 252 1 . 1 1 46 46 ASN HA H 46 4.739 4.739 4.696 0.043 18227 253 1 . 1 1 46 46 ASN C C 46 176.815 176.815 176.879 -0.064 18227 254 1 . 1 1 46 46 ASN CA C 46 55.350 55.350 54.873 0.477 18227 255 1 . 1 1 46 46 ASN CB C 46 38.493 38.493 38.959 -0.466 18227 256 1 . 1 1 46 46 ASN H H 46 8.083 8.083 8.039 0.044 18227 257 1 . 1 1 47 47 GLY N N 47 106.960 106.960 109.261 -2.301 18227 258 1 . 1 1 47 47 GLY C C 47 175.001 175.001 176.199 -1.198 18227 259 1 . 1 1 47 47 GLY CA C 47 46.987 46.987 46.906 0.081 18227 260 1 . 1 1 47 47 GLY H H 47 8.318 8.318 8.258 0.060 18227 261 1 . 1 1 48 48 LEU N N 48 120.991 120.991 121.860 -0.869 18227 262 1 . 1 1 48 48 LEU HA H 48 4.489 4.489 4.086 0.403 18227 263 1 . 1 1 48 48 LEU C C 48 180.375 180.375 178.680 1.695 18227 264 1 . 1 1 48 48 LEU CA C 48 58.248 58.248 57.644 0.604 18227 265 1 . 1 1 48 48 LEU CB C 48 42.047 42.047 41.812 0.235 18227 266 1 . 1 1 48 48 LEU H H 48 7.999 7.999 7.758 0.241 18227 267 1 . 1 1 49 49 VAL N N 49 121.040 121.040 118.599 2.441 18227 268 1 . 1 1 49 49 VAL HA H 49 3.833 3.833 3.668 0.165 18227 269 1 . 1 1 49 49 VAL C C 49 178.016 178.016 178.074 -0.058 18227 270 1 . 1 1 49 49 VAL CA C 49 67.217 67.217 66.859 0.358 18227 271 1 . 1 1 49 49 VAL CB C 49 31.940 31.940 31.563 0.377 18227 272 1 . 1 1 49 49 VAL H H 49 7.989 7.989 7.631 0.358 18227 273 1 . 1 1 50 50 LEU N N 50 119.986 119.986 119.081 0.905 18227 274 1 . 1 1 50 50 LEU HA H 50 4.197 4.197 3.957 0.240 18227 275 1 . 1 1 50 50 LEU C C 50 178.823 178.823 179.355 -0.532 18227 276 1 . 1 1 50 50 LEU CA C 50 58.690 58.690 57.838 0.852 18227 277 1 . 1 1 50 50 LEU CB C 50 41.665 41.665 41.333 0.332 18227 278 1 . 1 1 50 50 LEU H H 50 7.926 7.926 7.928 -0.002 18227 279 1 . 1 1 51 51 TRP N N 51 117.842 117.842 120.932 -3.090 18227 280 1 . 1 1 51 51 TRP HA H 51 4.687 4.687 4.386 0.301 18227 281 1 . 1 1 51 51 TRP C C 51 178.729 178.729 178.055 0.674 18227 282 1 . 1 1 51 51 TRP CA C 51 60.380 60.380 60.929 -0.549 18227 283 1 . 1 1 51 51 TRP CB C 51 29.541 29.541 29.905 -0.364 18227 284 1 . 1 1 51 51 TRP H H 51 8.525 8.525 8.269 0.256 18227 285 1 . 1 1 52 52 THR N N 52 114.722 114.722 117.009 -2.287 18227 286 1 . 1 1 52 52 THR HA H 52 4.007 4.007 3.678 0.329 18227 287 1 . 1 1 52 52 THR C C 52 176.228 176.228 176.874 -0.646 18227 288 1 . 1 1 52 52 THR CA C 52 67.517 67.517 67.255 0.262 18227 289 1 . 1 1 52 52 THR CB C 52 69.051 69.051 68.970 0.081 18227 290 1 . 1 1 52 52 THR H H 52 8.248 8.248 8.600 -0.352 18227 291 1 . 1 1 53 53 VAL N N 53 123.008 123.008 121.834 1.174 18227 292 1 . 1 1 53 53 VAL HA H 53 3.748 3.748 3.659 0.089 18227 293 1 . 1 1 53 53 VAL C C 53 178.474 178.474 177.261 1.213 18227 294 1 . 1 1 53 53 VAL CA C 53 67.455 67.455 66.836 0.619 18227 295 1 . 1 1 53 53 VAL CB C 53 31.840 31.840 31.471 0.369 18227 296 1 . 1 1 53 53 VAL H H 53 8.634 8.634 8.780 -0.146 18227 297 1 . 1 1 54 54 PHE N N 54 119.554 119.554 117.923 1.631 18227 298 1 . 1 1 54 54 PHE HA H 54 4.410 4.410 4.124 0.286 18227 299 1 . 1 1 54 54 PHE C C 54 179.173 179.173 177.118 2.055 18227 300 1 . 1 1 54 54 PHE CA C 54 61.087 61.087 61.296 -0.209 18227 301 1 . 1 1 54 54 PHE CB C 54 38.790 38.790 38.449 0.341 18227 302 1 . 1 1 54 54 PHE H H 54 8.860 8.860 7.789 1.071 18227 303 1 . 1 1 55 55 ARG N N 55 118.355 118.355 116.397 1.958 18227 304 1 . 1 1 55 55 ARG HA H 55 4.120 4.120 4.167 -0.047 18227 305 1 . 1 1 55 55 ARG C C 55 178.719 178.719 176.923 1.796 18227 306 1 . 1 1 55 55 ARG CA C 55 58.976 58.976 57.202 1.774 18227 307 1 . 1 1 55 55 ARG CB C 55 30.078 30.078 30.414 -0.336 18227 308 1 . 1 1 55 55 ARG H H 55 8.296 8.296 7.595 0.701 18227 309 1 . 1 1 56 56 LYS N N 56 119.698 119.698 118.543 1.155 18227 310 1 . 1 1 56 56 LYS HA H 56 4.293 4.293 4.315 -0.022 18227 311 1 . 1 1 56 56 LYS C C 56 178.742 178.742 177.535 1.207 18227 312 1 . 1 1 56 56 LYS CA C 56 59.051 59.051 58.141 0.910 18227 313 1 . 1 1 56 56 LYS CB C 56 32.771 32.771 33.457 -0.686 18227 314 1 . 1 1 56 56 LYS H H 56 8.377 8.377 8.049 0.328 18227 315 1 . 1 1 57 57 LYS N N 57 119.104 119.104 118.949 0.155 18227 316 1 . 1 1 57 57 LYS HA H 57 4.345 4.345 4.379 -0.034 18227 317 1 . 1 1 57 57 LYS C C 57 178.311 178.311 177.938 0.373 18227 318 1 . 1 1 57 57 LYS CA C 57 58.132 58.132 57.524 0.608 18227 319 1 . 1 1 57 57 LYS CB C 57 32.690 32.690 33.332 -0.642 18227 320 1 . 1 1 57 57 LYS H H 57 8.610 8.610 8.318 0.292 18227 321 1 . 1 1 58 58 GLY N N 58 106.684 106.684 107.221 -0.537 18227 322 1 . 1 1 58 58 GLY C C 58 174.451 174.451 175.246 -0.795 18227 323 1 . 1 1 58 58 GLY CA C 58 45.913 45.913 46.233 -0.320 18227 324 1 . 1 1 58 58 GLY H H 58 8.154 8.154 7.708 0.446 18227 325 1 . 1 1 59 59 HIS N N 59 116.995 116.995 118.806 -1.811 18227 326 1 . 1 1 59 59 HIS HA H 59 4.775 4.775 4.258 0.517 18227 327 1 . 1 1 59 59 HIS C C 59 174.529 174.529 175.390 -0.861 18227 328 1 . 1 1 59 59 HIS CA C 59 56.140 56.140 57.761 -1.621 18227 329 1 . 1 1 59 59 HIS CB C 59 28.627 28.627 29.630 -1.003 18227 330 1 . 1 1 59 59 HIS H H 59 8.106 8.106 8.074 0.032 18227 331 1 . 1 1 60 60 HIS N N 60 117.887 117.887 117.027 0.860 18227 332 1 . 1 1 60 60 HIS HA H 60 4.846 4.846 4.378 0.468 18227 333 1 . 1 1 60 60 HIS C C 60 174.247 174.247 174.659 -0.412 18227 334 1 . 1 1 60 60 HIS CA C 60 55.907 55.907 56.077 -0.170 18227 335 1 . 1 1 60 60 HIS CB C 60 29.050 29.050 29.741 -0.691 18227 336 1 . 1 1 60 60 HIS H H 60 8.425 8.425 7.656 0.769 18227 337 1 . 1 1 61 61 HIS N N 61 118.329 118.329 119.185 -0.856 18227 338 1 . 1 1 61 61 HIS HA H 61 4.873 4.873 4.459 0.414 18227 339 1 . 1 1 61 61 HIS C C 61 174.139 174.139 174.928 -0.789 18227 340 1 . 1 1 61 61 HIS CA C 61 55.794 55.794 56.391 -0.597 18227 341 1 . 1 1 61 61 HIS CB C 61 29.270 29.270 30.645 -1.375 18227 342 1 . 1 1 61 61 HIS H H 61 8.573 8.573 8.196 0.377 18227 343 1 . 1 1 62 62 HIS N N 62 118.968 118.968 118.559 0.409 18227 344 1 . 1 1 62 62 HIS HA H 62 4.875 4.875 4.340 0.535 18227 345 1 . 1 1 62 62 HIS C C 62 173.827 173.827 175.297 -1.470 18227 346 1 . 1 1 62 62 HIS CA C 62 55.768 55.768 57.379 -1.611 18227 347 1 . 1 1 62 62 HIS CB C 62 29.268 29.268 29.772 -0.504 18227 348 1 . 1 1 62 62 HIS H H 62 8.662 8.662 8.269 0.393 18227 349 1 . 1 1 63 63 HIS N N 63 118.949 118.949 120.259 -1.310 18227 350 1 . 1 1 63 63 HIS HA H 63 4.850 4.850 4.435 0.415 18227 351 1 . 1 1 63 63 HIS C C 63 173.433 173.433 174.606 -1.173 18227 352 1 . 1 1 63 63 HIS CA C 63 55.789 55.789 55.656 0.133 18227 353 1 . 1 1 63 63 HIS CB C 63 29.462 29.462 28.473 0.989 18227 354 1 . 1 1 63 63 HIS H H 63 8.518 8.518 8.455 0.063 18227 stop_ save_