data_17604 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17604 _Entry.PDB_ID 2LCB 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 17604 _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 ASN N N 2 115.717 115.717 119.787 -4.070 17604 2 1 1 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.576 -0.065 17604 3 1 1 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.053 0.372 17604 4 1 1 . 1 1 2 2 ASN H H 2 6.884 6.884 7.735 -0.851 17604 5 1 1 . 1 1 3 3 ILE N N 3 116.556 116.556 119.961 -3.405 17604 6 1 1 . 1 1 3 3 ILE C C 3 174.025 174.025 176.433 -2.408 17604 7 1 1 . 1 1 3 3 ILE H H 3 8.891 8.891 8.496 0.395 17604 8 1 1 . 1 1 4 4 PHE N N 4 121.687 121.687 118.791 2.896 17604 9 1 1 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.197 -0.119 17604 10 1 1 . 1 1 4 4 PHE C C 4 177.177 177.177 178.080 -0.903 17604 11 1 1 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.280 -1.681 17604 12 1 1 . 1 1 4 4 PHE H H 4 7.295 7.295 8.036 -0.741 17604 13 1 1 . 1 1 5 5 GLU N N 5 118.203 118.203 119.563 -1.360 17604 14 1 1 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.909 -0.068 17604 15 1 1 . 1 1 5 5 GLU C C 5 178.279 178.279 179.048 -0.769 17604 16 1 1 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.168 -0.392 17604 17 1 1 . 1 1 5 5 GLU H H 5 7.886 7.886 8.597 -0.711 17604 18 1 1 . 1 1 6 6 MET N N 6 118.175 118.175 120.914 -2.739 17604 19 1 1 . 1 1 6 6 MET HA H 6 3.243 3.243 3.789 -0.546 17604 20 1 1 . 1 1 6 6 MET C C 6 177.116 177.116 178.045 -0.929 17604 21 1 1 . 1 1 6 6 MET CA C 6 58.652 58.652 59.247 -0.595 17604 22 1 1 . 1 1 7 7 LEU N N 7 116.108 116.108 118.285 -2.177 17604 23 1 1 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.962 -0.008 17604 24 1 1 . 1 1 7 7 LEU C C 7 178.529 178.529 178.783 -0.254 17604 25 1 1 . 1 1 7 7 LEU H H 7 8.029 8.029 8.218 -0.189 17604 26 1 1 . 1 1 8 8 ARG N N 8 120.650 120.650 120.127 0.523 17604 27 1 1 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.860 -0.297 17604 28 1 1 . 1 1 8 8 ARG C C 8 180.117 180.117 178.770 1.347 17604 29 1 1 . 1 1 8 8 ARG H H 8 8.121 8.121 8.133 -0.012 17604 30 1 1 . 1 1 9 9 ILE N N 9 120.885 120.885 118.551 2.334 17604 31 1 1 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.783 -0.296 17604 32 1 1 . 1 1 9 9 ILE C C 9 177.395 177.395 177.311 0.084 17604 33 1 1 . 1 1 9 9 ILE H H 9 7.619 7.619 7.968 -0.349 17604 34 1 1 . 1 1 10 10 ASP N N 10 117.684 117.684 117.811 -0.127 17604 35 1 1 . 1 1 10 10 ASP C C 10 177.857 177.857 178.171 -0.314 17604 36 1 1 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.961 1.301 17604 37 1 1 . 1 1 10 10 ASP H H 10 8.012 8.012 7.994 0.018 17604 38 1 1 . 1 1 11 11 GLU N N 11 115.103 115.103 115.848 -0.745 17604 39 1 1 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.581 -0.033 17604 40 1 1 . 1 1 11 11 GLU C C 11 178.204 178.204 177.509 0.695 17604 41 1 1 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.947 -0.540 17604 42 1 1 . 1 1 11 11 GLU H H 11 8.837 8.837 8.301 0.536 17604 43 1 1 . 1 1 12 12 GLY N N 12 109.255 109.255 108.568 0.687 17604 44 1 1 . 1 1 12 12 GLY C C 12 170.041 170.041 171.933 -1.892 17604 45 1 1 . 1 1 13 13 LEU N N 13 117.280 117.280 121.463 -4.183 17604 46 1 1 . 1 1 13 13 LEU C C 13 175.609 175.609 175.117 0.492 17604 47 1 1 . 1 1 13 13 LEU H H 13 7.770 7.770 8.213 -0.443 17604 48 1 1 . 1 1 14 14 ARG N N 14 126.444 126.444 125.083 1.361 17604 49 1 1 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.656 0.009 17604 50 1 1 . 1 1 14 14 ARG C C 14 175.900 175.900 175.903 -0.003 17604 51 1 1 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.879 -0.788 17604 52 1 1 . 1 1 14 14 ARG H H 14 8.272 8.272 8.228 0.044 17604 53 1 1 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 54 1 1 . 1 1 15 15 LEU C C 15 173.723 173.723 176.046 -2.323 17604 55 1 1 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 56 1 1 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 57 1 1 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 58 1 1 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 59 1 1 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 60 1 1 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 61 1 1 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 62 1 1 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.291 -0.158 17604 63 1 1 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 64 1 1 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 65 1 1 . 1 1 18 18 TYR N N 18 127.713 127.713 125.979 1.734 17604 66 1 1 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.116 -0.002 17604 67 1 1 . 1 1 18 18 TYR C C 18 172.709 172.709 173.525 -0.816 17604 68 1 1 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.294 -0.006 17604 69 1 1 . 1 1 18 18 TYR H H 18 9.391 9.391 9.090 0.301 17604 70 1 1 . 1 1 19 19 LYS N N 19 122.584 122.584 120.911 1.673 17604 71 1 1 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.552 0.011 17604 72 1 1 . 1 1 19 19 LYS C C 19 176.060 176.060 176.222 -0.162 17604 73 1 1 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.005 0.020 17604 74 1 1 . 1 1 19 19 LYS H H 19 8.342 8.342 8.414 -0.072 17604 75 1 1 . 1 1 20 20 ASP N N 20 124.864 124.864 124.505 0.359 17604 76 1 1 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.755 -0.184 17604 77 1 1 . 1 1 20 20 ASP C C 20 178.088 178.088 178.270 -0.182 17604 78 1 1 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.179 -0.459 17604 79 1 1 . 1 1 20 20 ASP H H 20 8.509 8.509 8.815 -0.306 17604 80 1 1 . 1 1 21 21 THR N N 21 110.253 110.253 109.442 0.811 17604 81 1 1 . 1 1 21 21 THR HA H 21 3.978 3.978 4.059 -0.081 17604 82 1 1 . 1 1 21 21 THR C C 21 175.847 175.847 175.747 0.100 17604 83 1 1 . 1 1 21 21 THR CA C 21 65.115 65.115 64.866 0.249 17604 84 1 1 . 1 1 21 21 THR H H 21 7.975 7.975 8.569 -0.594 17604 85 1 1 . 1 1 22 22 GLU N N 22 120.058 120.058 119.934 0.124 17604 86 1 1 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.268 -0.108 17604 87 1 1 . 1 1 22 22 GLU C C 22 175.511 175.511 176.319 -0.808 17604 88 1 1 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.855 0.117 17604 89 1 1 . 1 1 23 23 GLY N N 23 106.801 106.801 106.745 0.056 17604 90 1 1 . 1 1 23 23 GLY C C 23 173.498 173.498 174.052 -0.554 17604 91 1 1 . 1 1 23 23 GLY H H 23 7.831 7.831 7.810 0.021 17604 92 1 1 . 1 1 24 24 TYR N N 24 120.577 120.577 119.518 1.059 17604 93 1 1 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.513 0.436 17604 94 1 1 . 1 1 24 24 TYR C C 24 177.646 177.646 175.787 1.859 17604 95 1 1 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.451 -1.746 17604 96 1 1 . 1 1 24 24 TYR H H 24 8.190 8.190 8.062 0.128 17604 97 1 1 . 1 1 25 25 TYR N N 25 122.599 122.599 123.193 -0.594 17604 98 1 1 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.889 0.004 17604 99 1 1 . 1 1 25 25 TYR C C 25 175.225 175.225 176.200 -0.975 17604 100 1 1 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.010 -0.179 17604 101 1 1 . 1 1 25 25 TYR H H 25 8.730 8.730 8.882 -0.152 17604 102 1 1 . 1 1 26 26 THR N N 26 120.566 120.566 118.039 2.527 17604 103 1 1 . 1 1 26 26 THR C C 26 170.704 170.704 172.606 -1.902 17604 104 1 1 . 1 1 26 26 THR CA C 26 60.848 60.848 61.276 -0.428 17604 105 1 1 . 1 1 26 26 THR H H 26 9.394 9.394 9.066 0.328 17604 106 1 1 . 1 1 27 27 ILE N N 27 120.480 120.480 120.675 -0.195 17604 107 1 1 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.515 0.120 17604 108 1 1 . 1 1 27 27 ILE C C 27 172.588 172.588 174.634 -2.046 17604 109 1 1 . 1 1 27 27 ILE H H 27 8.842 8.842 8.524 0.318 17604 110 1 1 . 1 1 28 28 GLY N N 28 112.034 112.034 112.805 -0.771 17604 111 1 1 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 112 1 1 . 1 1 28 28 GLY H H 28 8.585 8.585 8.799 -0.214 17604 113 1 1 . 1 1 29 29 ILE N N 29 134.307 134.307 125.119 9.188 17604 114 1 1 . 1 1 29 29 ILE C C 29 176.641 176.641 176.630 0.011 17604 115 1 1 . 1 1 29 29 ILE H H 29 10.269 10.269 8.648 1.621 17604 116 1 1 . 1 1 30 30 GLY N N 30 107.697 107.697 112.471 -4.774 17604 117 1 1 . 1 1 30 30 GLY C C 30 173.103 173.103 174.219 -1.116 17604 118 1 1 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.053 0.594 17604 119 1 1 . 1 1 30 30 GLY H H 30 8.159 8.159 8.392 -0.233 17604 120 1 1 . 1 1 31 31 HIS N N 31 115.580 115.580 120.120 -4.540 17604 121 1 1 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.623 -0.279 17604 122 1 1 . 1 1 31 31 HIS C C 31 173.242 173.242 174.589 -1.347 17604 123 1 1 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.836 1.821 17604 124 1 1 . 1 1 31 31 HIS H H 31 8.274 8.274 8.402 -0.128 17604 125 1 1 . 1 1 32 32 LEU N N 32 131.965 131.965 128.652 3.313 17604 126 1 1 . 1 1 32 32 LEU C C 32 176.441 176.441 175.647 0.794 17604 127 1 1 . 1 1 32 32 LEU H H 32 7.916 7.916 8.278 -0.362 17604 128 1 1 . 1 1 33 33 LEU N N 33 125.891 125.891 126.358 -0.467 17604 129 1 1 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.362 0.135 17604 130 1 1 . 1 1 33 33 LEU C C 33 176.188 176.188 177.125 -0.937 17604 131 1 1 . 1 1 33 33 LEU H H 33 9.078 9.078 8.782 0.296 17604 132 1 1 . 1 1 34 34 THR N N 34 109.694 109.694 109.022 0.672 17604 133 1 1 . 1 1 34 34 THR HA H 34 4.465 4.465 4.391 0.074 17604 134 1 1 . 1 1 34 34 THR C C 34 171.627 171.627 172.300 -0.673 17604 135 1 1 . 1 1 34 34 THR CA C 34 60.050 60.050 61.358 -1.308 17604 136 1 1 . 1 1 34 34 THR H H 34 7.266 7.266 7.380 -0.114 17604 137 1 1 . 1 1 35 35 LYS N N 35 124.851 124.851 122.567 2.284 17604 138 1 1 . 1 1 35 35 LYS C C 35 176.730 176.730 176.758 -0.028 17604 139 1 1 . 1 1 35 35 LYS H H 35 8.583 8.583 8.280 0.303 17604 140 1 1 . 1 1 36 36 SER N N 36 119.457 119.457 117.701 1.756 17604 141 1 1 . 1 1 36 36 SER H H 36 8.748 8.748 7.815 0.933 17604 142 1 1 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.581 0.304 17604 143 1 1 . 1 1 37 37 PRO C C 37 177.051 177.051 176.804 0.247 17604 144 1 1 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.433 -0.204 17604 145 1 1 . 1 1 38 38 SER N N 38 116.302 116.302 116.093 0.209 17604 146 1 1 . 1 1 38 38 SER HA H 38 4.730 4.730 4.571 0.159 17604 147 1 1 . 1 1 38 38 SER C C 38 174.400 174.400 175.314 -0.914 17604 148 1 1 . 1 1 38 38 SER CA C 38 56.315 56.315 56.688 -0.373 17604 149 1 1 . 1 1 38 38 SER H H 38 8.230 8.230 7.747 0.483 17604 150 1 1 . 1 1 39 39 LEU N N 39 133.066 133.066 130.483 2.583 17604 151 1 1 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.351 0.093 17604 152 1 1 . 1 1 39 39 LEU C C 39 178.462 178.462 177.569 0.893 17604 153 1 1 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 154 1 1 . 1 1 40 40 ASN N N 40 116.781 116.781 117.516 -0.735 17604 155 1 1 . 1 1 40 40 ASN C C 40 178.279 178.279 177.436 0.843 17604 156 1 1 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 157 1 1 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 158 1 1 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.997 0.216 17604 159 1 1 . 1 1 41 41 ALA C C 41 179.882 179.882 178.894 0.988 17604 160 1 1 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.929 -0.216 17604 161 1 1 . 1 1 41 41 ALA H H 41 7.746 7.746 7.595 0.151 17604 162 1 1 . 1 1 42 42 ALA N N 42 120.972 120.972 121.297 -0.325 17604 163 1 1 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.875 -0.134 17604 164 1 1 . 1 1 42 42 ALA C C 42 178.822 178.822 179.453 -0.631 17604 165 1 1 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.104 0.329 17604 166 1 1 . 1 1 42 42 ALA H H 42 7.593 7.593 7.857 -0.264 17604 167 1 1 . 1 1 43 43 LYS N N 43 117.113 117.113 118.142 -1.029 17604 168 1 1 . 1 1 43 43 LYS C C 43 177.715 177.715 178.921 -1.206 17604 169 1 1 . 1 1 43 43 LYS H H 43 8.400 8.400 8.252 0.148 17604 170 1 1 . 1 1 44 44 SER N N 44 113.825 113.825 115.252 -1.427 17604 171 1 1 . 1 1 44 44 SER C C 44 177.955 177.955 176.608 1.347 17604 172 1 1 . 1 1 44 44 SER CA C 44 61.708 61.708 61.394 0.314 17604 173 1 1 . 1 1 44 44 SER H H 44 7.927 7.927 8.146 -0.219 17604 174 1 1 . 1 1 45 45 GLU N N 45 120.104 120.104 121.230 -1.126 17604 175 1 1 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.043 0.078 17604 176 1 1 . 1 1 45 45 GLU C C 45 179.367 179.367 179.150 0.217 17604 177 1 1 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.999 -0.483 17604 178 1 1 . 1 1 46 46 LEU N N 46 122.714 122.714 122.367 0.347 17604 179 1 1 . 1 1 46 46 LEU C C 46 177.304 177.304 178.308 -1.004 17604 180 1 1 . 1 1 46 46 LEU H H 46 8.304 8.304 8.317 -0.013 17604 181 1 1 . 1 1 47 47 ASP N N 47 120.220 120.220 119.880 0.340 17604 182 1 1 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 183 1 1 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.418 -0.152 17604 184 1 1 . 1 1 47 47 ASP H H 47 8.651 8.651 8.425 0.226 17604 185 1 1 . 1 1 48 48 LYS N N 48 120.884 120.884 120.007 0.877 17604 186 1 1 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.063 -0.053 17604 187 1 1 . 1 1 48 48 LYS C C 48 178.238 178.238 178.306 -0.068 17604 188 1 1 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.870 0.240 17604 189 1 1 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 190 1 1 . 1 1 49 49 ALA N N 49 121.076 121.076 121.931 -0.855 17604 191 1 1 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.221 -0.055 17604 192 1 1 . 1 1 49 49 ALA C C 49 179.471 179.471 179.198 0.273 17604 193 1 1 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.554 -0.188 17604 194 1 1 . 1 1 49 49 ALA H H 49 7.926 7.926 7.967 -0.041 17604 195 1 1 . 1 1 50 50 ILE N N 50 114.845 114.845 115.947 -1.102 17604 196 1 1 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.049 0.028 17604 197 1 1 . 1 1 50 50 ILE C C 50 177.256 177.256 177.208 0.048 17604 198 1 1 . 1 1 50 50 ILE H H 50 8.379 8.379 7.712 0.667 17604 199 1 1 . 1 1 51 51 GLY N N 51 109.206 109.206 109.792 -0.586 17604 200 1 1 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 201 1 1 . 1 1 51 51 GLY H H 51 8.380 8.380 8.380 0.000 17604 202 1 1 . 1 1 52 52 ARG N N 52 115.489 115.489 116.559 -1.070 17604 203 1 1 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 204 1 1 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 205 1 1 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 206 1 1 . 1 1 53 53 ASN N N 53 115.422 115.422 120.462 -5.040 17604 207 1 1 . 1 1 53 53 ASN C C 53 175.434 175.434 174.999 0.435 17604 208 1 1 . 1 1 53 53 ASN H H 53 8.275 8.275 8.687 -0.412 17604 209 1 1 . 1 1 54 54 THR N N 54 119.611 119.611 118.057 1.554 17604 210 1 1 . 1 1 54 54 THR HA H 54 4.303 4.303 4.496 -0.193 17604 211 1 1 . 1 1 54 54 THR C C 54 177.316 177.316 174.678 2.638 17604 212 1 1 . 1 1 54 54 THR CA C 54 63.742 63.742 60.883 2.859 17604 213 1 1 . 1 1 54 54 THR H H 54 9.079 9.079 8.773 0.306 17604 214 1 1 . 1 1 55 55 ASN N N 55 120.102 120.102 118.459 1.643 17604 215 1 1 . 1 1 55 55 ASN C C 55 175.771 175.771 175.682 0.089 17604 216 1 1 . 1 1 55 55 ASN H H 55 9.477 9.477 8.340 1.137 17604 217 1 1 . 1 1 56 56 GLY N N 56 102.932 102.932 108.300 -5.368 17604 218 1 1 . 1 1 56 56 GLY C C 56 172.123 172.123 172.893 -0.770 17604 219 1 1 . 1 1 56 56 GLY H H 56 8.688 8.688 7.833 0.855 17604 220 1 1 . 1 1 57 57 VAL N N 57 120.312 120.312 118.575 1.737 17604 221 1 1 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 222 1 1 . 1 1 57 57 VAL C C 57 174.887 174.887 174.875 0.012 17604 223 1 1 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.688 0.977 17604 224 1 1 . 1 1 57 57 VAL H H 57 7.473 7.473 7.422 0.051 17604 225 1 1 . 1 1 58 58 ILE N N 58 116.909 116.909 121.349 -4.440 17604 226 1 1 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.094 -0.219 17604 227 1 1 . 1 1 58 58 ILE C C 58 175.410 175.410 175.214 0.196 17604 228 1 1 . 1 1 58 58 ILE H H 58 8.545 8.545 9.074 -0.529 17604 229 1 1 . 1 1 59 59 THR N N 59 109.210 109.210 112.613 -3.403 17604 230 1 1 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 231 1 1 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 232 1 1 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 233 1 1 . 1 1 59 59 THR H H 59 8.694 8.694 9.061 -0.367 17604 234 1 1 . 1 1 60 60 LYS N N 60 121.466 121.466 121.692 -0.226 17604 235 1 1 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 236 1 1 . 1 1 60 60 LYS C C 60 178.086 178.086 178.331 -0.245 17604 237 1 1 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.463 0.394 17604 238 1 1 . 1 1 60 60 LYS H H 60 9.147 9.147 8.819 0.329 17604 239 1 1 . 1 1 61 61 ASP N N 61 117.243 117.243 118.407 -1.164 17604 240 1 1 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.409 -0.059 17604 241 1 1 . 1 1 61 61 ASP C C 61 179.628 179.628 179.026 0.602 17604 242 1 1 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.524 -0.330 17604 243 1 1 . 1 1 61 61 ASP H H 61 8.252 8.252 8.534 -0.282 17604 244 1 1 . 1 1 62 62 GLU N N 62 121.473 121.473 120.195 1.278 17604 245 1 1 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.067 -0.184 17604 246 1 1 . 1 1 62 62 GLU C C 62 178.781 178.781 178.825 -0.044 17604 247 1 1 . 1 1 62 62 GLU H H 62 7.713 7.713 7.902 -0.189 17604 248 1 1 . 1 1 63 63 ALA N N 63 121.213 121.213 122.794 -1.581 17604 249 1 1 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.952 -0.058 17604 250 1 1 . 1 1 63 63 ALA C C 63 180.801 180.801 179.764 1.037 17604 251 1 1 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.689 -0.585 17604 252 1 1 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 253 1 1 . 1 1 64 64 GLU N N 64 119.853 119.853 118.218 1.635 17604 254 1 1 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.190 -0.005 17604 255 1 1 . 1 1 64 64 GLU C C 64 177.889 177.889 178.924 -1.035 17604 256 1 1 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.420 0.872 17604 257 1 1 . 1 1 64 64 GLU H H 64 8.423 8.423 8.390 0.033 17604 258 1 1 . 1 1 65 65 LYS N N 65 122.118 122.118 121.370 0.748 17604 259 1 1 . 1 1 65 65 LYS C C 65 179.896 179.896 179.007 0.889 17604 260 1 1 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.642 0.046 17604 261 1 1 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 262 1 1 . 1 1 66 66 LEU N N 66 118.262 118.262 119.315 -1.053 17604 263 1 1 . 1 1 66 66 LEU C C 66 177.988 177.988 179.098 -1.110 17604 264 1 1 . 1 1 66 66 LEU H H 66 7.705 7.705 8.099 -0.394 17604 265 1 1 . 1 1 67 67 PHE N N 67 118.838 118.838 120.243 -1.405 17604 266 1 1 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.282 0.986 17604 267 1 1 . 1 1 67 67 PHE C C 67 177.256 177.256 177.540 -0.284 17604 268 1 1 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.866 -1.177 17604 269 1 1 . 1 1 67 67 PHE H H 67 8.060 8.060 8.462 -0.402 17604 270 1 1 . 1 1 68 68 ASN N N 68 117.691 117.691 117.406 0.285 17604 271 1 1 . 1 1 68 68 ASN C C 68 178.790 178.790 177.576 1.214 17604 272 1 1 . 1 1 68 68 ASN H H 68 8.473 8.473 8.572 -0.099 17604 273 1 1 . 1 1 69 69 GLN N N 69 118.450 118.450 119.188 -0.738 17604 274 1 1 . 1 1 69 69 GLN C C 69 178.971 178.971 178.450 0.521 17604 275 1 1 . 1 1 69 69 GLN H H 69 7.788 7.788 8.090 -0.302 17604 276 1 1 . 1 1 70 70 ASP N N 70 123.108 123.108 120.945 2.163 17604 277 1 1 . 1 1 70 70 ASP C C 70 179.925 179.925 178.991 0.934 17604 278 1 1 . 1 1 70 70 ASP H H 70 8.857 8.857 8.465 0.392 17604 279 1 1 . 1 1 71 71 VAL N N 71 125.622 125.622 120.736 4.886 17604 280 1 1 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.489 0.102 17604 281 1 1 . 1 1 71 71 VAL C C 71 177.173 177.173 177.549 -0.376 17604 282 1 1 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.793 1.597 17604 283 1 1 . 1 1 71 71 VAL H H 71 9.017 9.017 8.362 0.655 17604 284 1 1 . 1 1 72 72 ASP N N 72 118.829 118.829 119.982 -1.153 17604 285 1 1 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.245 0.108 17604 286 1 1 . 1 1 72 72 ASP C C 72 178.629 178.629 178.187 0.442 17604 287 1 1 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.304 0.320 17604 288 1 1 . 1 1 72 72 ASP H H 72 7.605 7.605 8.145 -0.540 17604 289 1 1 . 1 1 73 73 ALA N N 73 119.829 119.829 121.711 -1.882 17604 290 1 1 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.033 -0.005 17604 291 1 1 . 1 1 73 73 ALA C C 73 180.382 180.382 179.559 0.823 17604 292 1 1 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.053 0.086 17604 293 1 1 . 1 1 73 73 ALA H H 73 8.344 8.344 8.252 0.092 17604 294 1 1 . 1 1 74 74 ALA N N 74 123.039 123.039 121.891 1.148 17604 295 1 1 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.996 0.171 17604 296 1 1 . 1 1 74 74 ALA C C 74 179.701 179.701 179.542 0.159 17604 297 1 1 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.855 -0.183 17604 298 1 1 . 1 1 74 74 ALA H H 74 7.877 7.877 7.719 0.158 17604 299 1 1 . 1 1 75 75 VAL H H 75 8.180 8.180 7.885 0.295 17604 300 1 1 . 1 1 76 76 ARG N N 76 117.752 117.752 119.919 -2.167 17604 301 1 1 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.908 -0.093 17604 302 1 1 . 1 1 76 76 ARG C C 76 178.843 178.843 178.671 0.172 17604 303 1 1 . 1 1 76 76 ARG H H 76 8.416 8.416 8.633 -0.217 17604 304 1 1 . 1 1 77 77 GLY N N 77 105.782 105.782 106.959 -1.177 17604 305 1 1 . 1 1 77 77 GLY C C 77 176.137 176.137 176.052 0.085 17604 306 1 1 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.803 -0.746 17604 307 1 1 . 1 1 77 77 GLY H H 77 8.010 8.010 8.118 -0.108 17604 308 1 1 . 1 1 78 78 ILE N N 78 121.765 121.765 122.055 -0.290 17604 309 1 1 . 1 1 78 78 ILE C C 78 177.166 177.166 178.276 -1.110 17604 310 1 1 . 1 1 78 78 ILE H H 78 7.502 7.502 7.748 -0.246 17604 311 1 1 . 1 1 79 79 LEU N N 79 115.166 115.166 117.799 -2.633 17604 312 1 1 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.024 -0.197 17604 313 1 1 . 1 1 79 79 LEU C C 79 178.804 178.804 178.115 0.689 17604 314 1 1 . 1 1 79 79 LEU H H 79 7.903 7.903 8.040 -0.137 17604 315 1 1 . 1 1 80 80 ARG N N 80 114.734 114.734 114.609 0.125 17604 316 1 1 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.314 0.013 17604 317 1 1 . 1 1 80 80 ARG C C 80 175.118 175.118 175.792 -0.674 17604 318 1 1 . 1 1 80 80 ARG H H 80 7.707 7.707 7.646 0.061 17604 319 1 1 . 1 1 81 81 ASN N N 81 120.809 120.809 118.735 2.074 17604 320 1 1 . 1 1 81 81 ASN C C 81 174.581 174.581 175.212 -0.631 17604 321 1 1 . 1 1 81 81 ASN H H 81 7.498 7.498 7.507 -0.009 17604 322 1 1 . 1 1 82 82 ALA N N 82 127.902 127.902 129.603 -1.701 17604 323 1 1 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.164 -0.085 17604 324 1 1 . 1 1 82 82 ALA C C 82 178.943 178.943 178.558 0.385 17604 325 1 1 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.554 0.293 17604 326 1 1 . 1 1 82 82 ALA H H 82 8.849 8.849 8.968 -0.119 17604 327 1 1 . 1 1 83 83 LYS N N 83 114.166 114.166 117.368 -3.202 17604 328 1 1 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.223 0.066 17604 329 1 1 . 1 1 83 83 LYS C C 83 177.907 177.907 178.610 -0.703 17604 330 1 1 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.534 -1.194 17604 331 1 1 . 1 1 83 83 LYS H H 83 8.060 8.060 8.202 -0.142 17604 332 1 1 . 1 1 84 84 LEU N N 84 116.412 116.412 120.257 -3.845 17604 333 1 1 . 1 1 84 84 LEU C C 84 178.335 178.335 178.267 0.068 17604 334 1 1 . 1 1 84 84 LEU H H 84 7.531 7.531 8.432 -0.901 17604 335 1 1 . 1 1 85 85 LYS N N 85 121.080 121.080 120.627 0.453 17604 336 1 1 . 1 1 85 85 LYS H H 85 8.462 8.462 8.397 0.065 17604 337 1 1 . 1 1 86 86 PRO C C 86 179.959 179.959 179.203 0.756 17604 338 1 1 . 1 1 87 87 VAL N N 87 115.566 115.566 118.693 -3.127 17604 339 1 1 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.765 -0.021 17604 340 1 1 . 1 1 87 87 VAL C C 87 178.545 178.545 178.289 0.256 17604 341 1 1 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.300 -0.796 17604 342 1 1 . 1 1 87 87 VAL H H 87 6.893 6.893 7.276 -0.383 17604 343 1 1 . 1 1 88 88 TYR N N 88 122.544 122.544 121.260 1.284 17604 344 1 1 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.151 -0.252 17604 345 1 1 . 1 1 88 88 TYR C C 88 177.722 177.722 178.201 -0.479 17604 346 1 1 . 1 1 88 88 TYR CA C 88 62.861 62.861 62.002 0.859 17604 347 1 1 . 1 1 88 88 TYR H H 88 8.457 8.457 8.711 -0.254 17604 348 1 1 . 1 1 89 89 ASP N N 89 117.217 117.217 117.616 -0.399 17604 349 1 1 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.362 -0.041 17604 350 1 1 . 1 1 89 89 ASP C C 89 177.849 177.849 178.441 -0.592 17604 351 1 1 . 1 1 89 89 ASP H H 89 9.103 9.103 8.928 0.175 17604 352 1 1 . 1 1 90 90 SER N N 90 113.279 113.279 114.073 -0.794 17604 353 1 1 . 1 1 90 90 SER HA H 90 4.424 4.424 4.341 0.083 17604 354 1 1 . 1 1 90 90 SER C C 90 174.362 174.362 175.025 -0.663 17604 355 1 1 . 1 1 90 90 SER CA C 90 59.655 59.655 59.560 0.095 17604 356 1 1 . 1 1 90 90 SER H H 90 7.365 7.365 7.646 -0.281 17604 357 1 1 . 1 1 91 91 LEU N N 91 123.395 123.395 123.686 -0.291 17604 358 1 1 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.512 -0.088 17604 359 1 1 . 1 1 91 91 LEU C C 91 176.268 176.268 176.800 -0.532 17604 360 1 1 . 1 1 91 91 LEU H H 91 7.458 7.458 7.363 0.095 17604 361 1 1 . 1 1 92 92 ASP N N 92 115.456 115.456 121.992 -6.536 17604 362 1 1 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.478 0.145 17604 363 1 1 . 1 1 92 92 ASP C C 92 175.560 175.560 176.711 -1.151 17604 364 1 1 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.965 -1.788 17604 365 1 1 . 1 1 92 92 ASP H H 92 7.401 7.401 8.453 -1.052 17604 366 1 1 . 1 1 93 93 ALA N N 93 119.761 119.761 122.078 -2.317 17604 367 1 1 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.039 -0.242 17604 368 1 1 . 1 1 93 93 ALA C C 93 179.896 179.896 179.745 0.151 17604 369 1 1 . 1 1 93 93 ALA H H 93 8.687 8.687 8.536 0.151 17604 370 1 1 . 1 1 94 94 VAL N N 94 118.785 118.785 118.192 0.593 17604 371 1 1 . 1 1 94 94 VAL C C 94 177.307 177.307 177.848 -0.541 17604 372 1 1 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.777 0.168 17604 373 1 1 . 1 1 94 94 VAL H H 94 7.822 7.822 7.580 0.242 17604 374 1 1 . 1 1 95 95 ARG N N 95 119.046 119.046 118.645 0.401 17604 375 1 1 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.660 -0.081 17604 376 1 1 . 1 1 95 95 ARG C C 95 178.424 178.424 178.734 -0.310 17604 377 1 1 . 1 1 95 95 ARG H H 95 7.766 7.766 8.099 -0.333 17604 378 1 1 . 1 1 96 96 ARG N N 96 118.034 118.034 119.579 -1.545 17604 379 1 1 . 1 1 96 96 ARG C C 96 177.930 177.930 178.381 -0.451 17604 380 1 1 . 1 1 96 96 ARG H H 96 8.629 8.629 8.390 0.239 17604 381 1 1 . 1 1 97 97 ALA N N 97 119.949 119.949 121.291 -1.342 17604 382 1 1 . 1 1 97 97 ALA HA H 97 4.068 4.068 3.989 0.079 17604 383 1 1 . 1 1 97 97 ALA C C 97 178.702 178.702 178.908 -0.206 17604 384 1 1 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.064 0.304 17604 385 1 1 . 1 1 97 97 ALA H H 97 7.028 7.028 7.434 -0.406 17604 386 1 1 . 1 1 98 98 ALA N N 98 118.852 118.852 121.099 -2.247 17604 387 1 1 . 1 1 98 98 ALA C C 98 177.525 177.525 178.959 -1.434 17604 388 1 1 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.474 0.848 17604 389 1 1 . 1 1 98 98 ALA H H 98 7.200 7.200 7.186 0.014 17604 390 1 1 . 1 1 99 99 ALA N N 99 119.728 119.728 121.185 -1.457 17604 391 1 1 . 1 1 99 99 ALA HA H 99 3.534 3.534 3.533 0.001 17604 392 1 1 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.007 0.589 17604 393 1 1 . 1 1 99 99 ALA H H 99 7.795 7.795 7.591 0.204 17604 394 1 1 . 1 1 100 100 ILE N N 100 116.243 116.243 117.941 -1.698 17604 395 1 1 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.640 -0.189 17604 396 1 1 . 1 1 100 100 ILE C C 100 176.994 176.994 177.339 -0.345 17604 397 1 1 . 1 1 100 100 ILE H H 100 8.093 8.093 8.198 -0.105 17604 398 1 1 . 1 1 101 101 ASN N N 101 116.433 116.433 116.657 -0.224 17604 399 1 1 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.419 -0.161 17604 400 1 1 . 1 1 101 101 ASN C C 101 177.449 177.449 177.928 -0.479 17604 401 1 1 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.615 1.211 17604 402 1 1 . 1 1 101 101 ASN H H 101 8.097 8.097 7.746 0.351 17604 403 1 1 . 1 1 102 102 MET N N 102 113.936 113.936 117.497 -3.561 17604 404 1 1 . 1 1 102 102 MET HA H 102 3.657 3.657 3.998 -0.341 17604 405 1 1 . 1 1 102 102 MET CA C 102 61.050 61.050 57.061 3.989 17604 406 1 1 . 1 1 102 102 MET H H 102 7.719 7.719 7.863 -0.144 17604 407 1 1 . 1 1 103 103 VAL N N 103 105.507 105.507 110.911 -5.404 17604 408 1 1 . 1 1 103 103 VAL C C 103 175.510 175.510 175.428 0.082 17604 409 1 1 . 1 1 103 103 VAL CA C 103 61.665 61.665 60.924 0.741 17604 410 1 1 . 1 1 103 103 VAL H H 103 7.320 7.320 7.392 -0.072 17604 411 1 1 . 1 1 104 104 PHE N N 104 126.466 126.466 124.383 2.083 17604 412 1 1 . 1 1 104 104 PHE C C 104 176.939 176.939 174.677 2.262 17604 413 1 1 . 1 1 104 104 PHE H H 104 7.877 7.877 7.844 0.033 17604 414 1 1 . 1 1 105 105 GLN N N 105 119.920 119.920 119.841 0.079 17604 415 1 1 . 1 1 105 105 GLN C C 105 174.943 174.943 174.241 0.702 17604 416 1 1 . 1 1 105 105 GLN H H 105 8.540 8.540 8.085 0.455 17604 417 1 1 . 1 1 106 106 MET N N 106 117.242 117.242 117.946 -0.704 17604 418 1 1 . 1 1 106 106 MET HA H 106 4.146 4.146 4.643 -0.497 17604 419 1 1 . 1 1 106 106 MET C C 106 177.126 177.126 176.992 0.134 17604 420 1 1 . 1 1 106 106 MET CA C 106 54.786 54.786 54.073 0.713 17604 421 1 1 . 1 1 106 106 MET H H 106 8.869 8.869 7.542 1.327 17604 422 1 1 . 1 1 107 107 GLY N N 107 107.963 107.963 108.113 -0.150 17604 423 1 1 . 1 1 107 107 GLY C C 107 174.858 174.858 175.277 -0.419 17604 424 1 1 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.423 1.675 17604 425 1 1 . 1 1 107 107 GLY H H 107 7.819 7.819 8.511 -0.692 17604 426 1 1 . 1 1 108 108 GLU N N 108 122.988 122.988 119.616 3.372 17604 427 1 1 . 1 1 108 108 GLU C C 108 179.500 179.500 178.658 0.842 17604 428 1 1 . 1 1 108 108 GLU H H 108 8.778 8.778 9.094 -0.316 17604 429 1 1 . 1 1 109 109 THR N N 109 112.024 112.024 111.187 0.837 17604 430 1 1 . 1 1 109 109 THR HA H 109 4.193 4.193 4.174 0.019 17604 431 1 1 . 1 1 109 109 THR C C 109 178.149 178.149 176.836 1.313 17604 432 1 1 . 1 1 109 109 THR CA C 109 65.018 65.018 66.214 -1.196 17604 433 1 1 . 1 1 109 109 THR H H 109 8.617 8.617 8.458 0.159 17604 434 1 1 . 1 1 110 110 GLY N N 110 116.155 116.155 109.806 6.349 17604 435 1 1 . 1 1 110 110 GLY C C 110 175.727 175.727 175.723 0.004 17604 436 1 1 . 1 1 110 110 GLY H H 110 8.631 8.631 7.587 1.044 17604 437 1 1 . 1 1 111 111 VAL N N 111 120.428 120.428 122.863 -2.435 17604 438 1 1 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.639 -0.003 17604 439 1 1 . 1 1 111 111 VAL C C 111 179.055 179.055 177.908 1.147 17604 440 1 1 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.340 0.788 17604 441 1 1 . 1 1 111 111 VAL H H 111 8.073 8.073 7.296 0.777 17604 442 1 1 . 1 1 112 112 ALA N N 112 124.050 124.050 122.118 1.932 17604 443 1 1 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.045 0.170 17604 444 1 1 . 1 1 112 112 ALA C C 112 180.059 180.059 179.450 0.609 17604 445 1 1 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.306 0.114 17604 446 1 1 . 1 1 112 112 ALA H H 112 8.297 8.297 8.375 -0.078 17604 447 1 1 . 1 1 113 113 GLY N N 113 105.820 105.820 107.027 -1.207 17604 448 1 1 . 1 1 113 113 GLY C C 113 175.656 175.656 176.149 -0.493 17604 449 1 1 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.873 0.145 17604 450 1 1 . 1 1 113 113 GLY H H 113 8.218 8.218 8.119 0.099 17604 451 1 1 . 1 1 114 114 PHE N N 114 122.441 122.441 122.397 0.044 17604 452 1 1 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.501 -0.293 17604 453 1 1 . 1 1 114 114 PHE C C 114 177.316 177.316 177.321 -0.005 17604 454 1 1 . 1 1 114 114 PHE CA C 114 59.874 59.874 58.986 0.888 17604 455 1 1 . 1 1 114 114 PHE H H 114 8.111 8.111 8.051 0.060 17604 456 1 1 . 1 1 115 115 THR N N 115 114.602 114.602 115.067 -0.465 17604 457 1 1 . 1 1 115 115 THR C C 115 176.611 176.611 176.283 0.328 17604 458 1 1 . 1 1 115 115 THR CA C 115 66.636 66.636 66.729 -0.093 17604 459 1 1 . 1 1 115 115 THR H H 115 8.378 8.378 8.251 0.127 17604 460 1 1 . 1 1 116 116 ASN N N 116 119.071 119.071 117.675 1.396 17604 461 1 1 . 1 1 116 116 ASN H H 116 8.276 8.276 7.995 0.281 17604 462 1 1 . 1 1 117 117 SER C C 117 174.833 174.833 175.695 -0.862 17604 463 1 1 . 1 1 118 118 LEU N N 118 121.114 121.114 122.518 -1.404 17604 464 1 1 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.620 0.552 17604 465 1 1 . 1 1 118 118 LEU C C 118 177.954 177.954 178.454 -0.500 17604 466 1 1 . 1 1 118 118 LEU H H 118 7.336 7.336 6.918 0.418 17604 467 1 1 . 1 1 119 119 ARG N N 119 117.315 117.315 117.885 -0.570 17604 468 1 1 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.906 0.145 17604 469 1 1 . 1 1 119 119 ARG C C 119 178.720 178.720 178.255 0.465 17604 470 1 1 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.261 -0.640 17604 471 1 1 . 1 1 119 119 ARG H H 119 8.329 8.329 8.022 0.307 17604 472 1 1 . 1 1 120 120 MET N N 120 115.507 115.507 117.790 -2.283 17604 473 1 1 . 1 1 120 120 MET HA H 120 3.969 3.969 4.148 -0.179 17604 474 1 1 . 1 1 120 120 MET C C 120 178.161 178.161 178.791 -0.630 17604 475 1 1 . 1 1 120 120 MET CA C 120 59.029 59.029 57.556 1.473 17604 476 1 1 . 1 1 120 120 MET H H 120 7.408 7.408 8.065 -0.657 17604 477 1 1 . 1 1 121 121 LEU N N 121 117.639 117.639 119.698 -2.059 17604 478 1 1 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.954 -0.101 17604 479 1 1 . 1 1 121 121 LEU C C 121 179.852 179.852 179.715 0.137 17604 480 1 1 . 1 1 121 121 LEU H H 121 7.681 7.681 8.657 -0.976 17604 481 1 1 . 1 1 122 122 GLN N N 122 120.423 120.423 119.631 0.792 17604 482 1 1 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.036 -0.091 17604 483 1 1 . 1 1 122 122 GLN C C 122 176.976 176.976 177.806 -0.830 17604 484 1 1 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.247 1.143 17604 485 1 1 . 1 1 122 122 GLN H H 122 8.689 8.689 8.215 0.474 17604 486 1 1 . 1 1 123 123 GLN N N 123 113.631 113.631 115.609 -1.978 17604 487 1 1 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.216 -0.144 17604 488 1 1 . 1 1 123 123 GLN C C 123 174.455 174.455 175.099 -0.644 17604 489 1 1 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.571 -0.391 17604 490 1 1 . 1 1 123 123 GLN H H 123 7.251 7.251 7.440 -0.189 17604 491 1 1 . 1 1 124 124 LYS N N 124 114.745 114.745 114.451 0.294 17604 492 1 1 . 1 1 124 124 LYS C C 124 174.910 174.910 175.154 -0.244 17604 493 1 1 . 1 1 124 124 LYS H H 124 7.291 7.291 7.391 -0.100 17604 494 1 1 . 1 1 125 125 ARG N N 125 119.533 119.533 118.684 0.849 17604 495 1 1 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.182 0.055 17604 496 1 1 . 1 1 125 125 ARG C C 125 177.182 177.182 176.352 0.830 17604 497 1 1 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.544 -0.358 17604 498 1 1 . 1 1 125 125 ARG H H 125 7.715 7.715 7.875 -0.160 17604 499 1 1 . 1 1 126 126 TRP N N 126 119.232 119.232 123.539 -4.307 17604 500 1 1 . 1 1 126 126 TRP C C 126 178.891 178.891 177.714 1.177 17604 501 1 1 . 1 1 126 126 TRP H H 126 6.888 6.888 7.442 -0.554 17604 502 1 1 . 1 1 127 127 ASP N N 127 116.481 116.481 117.655 -1.174 17604 503 1 1 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.410 0.006 17604 504 1 1 . 1 1 127 127 ASP C C 127 178.854 178.854 178.511 0.343 17604 505 1 1 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.999 -0.309 17604 506 1 1 . 1 1 127 127 ASP H H 127 8.548 8.548 8.878 -0.330 17604 507 1 1 . 1 1 128 128 GLU N N 128 120.565 120.565 120.399 0.166 17604 508 1 1 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.025 -0.072 17604 509 1 1 . 1 1 128 128 GLU C C 128 179.945 179.945 178.209 1.736 17604 510 1 1 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.076 0.480 17604 511 1 1 . 1 1 128 128 GLU H H 128 8.311 8.311 8.368 -0.057 17604 512 1 1 . 1 1 129 129 ALA N N 129 122.262 122.262 122.380 -0.118 17604 513 1 1 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.938 0.070 17604 514 1 1 . 1 1 129 129 ALA C C 129 178.673 178.673 179.358 -0.685 17604 515 1 1 . 1 1 129 129 ALA H H 129 8.630 8.630 8.591 0.039 17604 516 1 1 . 1 1 130 130 ALA N N 130 119.515 119.515 121.282 -1.767 17604 517 1 1 . 1 1 130 130 ALA C C 130 179.789 179.789 179.616 0.173 17604 518 1 1 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.202 0.489 17604 519 1 1 . 1 1 130 130 ALA H H 130 8.263 8.263 8.101 0.162 17604 520 1 1 . 1 1 131 131 VAL N N 131 117.584 117.584 118.895 -1.311 17604 521 1 1 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.410 0.169 17604 522 1 1 . 1 1 131 131 VAL C C 131 178.341 178.341 178.230 0.111 17604 523 1 1 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.838 -0.716 17604 524 1 1 . 1 1 131 131 VAL H H 131 7.883 7.883 8.238 -0.355 17604 525 1 1 . 1 1 132 132 ASN N N 132 118.267 118.267 117.636 0.631 17604 526 1 1 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.362 -0.034 17604 527 1 1 . 1 1 132 132 ASN C C 132 178.969 178.969 176.991 1.978 17604 528 1 1 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.971 0.854 17604 529 1 1 . 1 1 133 133 LEU N N 133 121.157 121.157 119.090 2.067 17604 530 1 1 . 1 1 133 133 LEU C C 133 179.658 179.658 179.045 0.613 17604 531 1 1 . 1 1 133 133 LEU H H 133 8.868 8.868 8.100 0.768 17604 532 1 1 . 1 1 134 134 ALA N N 134 121.551 121.551 121.655 -0.104 17604 533 1 1 . 1 1 134 134 ALA C C 134 177.027 177.027 178.103 -1.076 17604 534 1 1 . 1 1 134 134 ALA H H 134 7.720 7.720 7.888 -0.168 17604 535 1 1 . 1 1 135 135 LYS N N 135 115.144 115.144 117.589 -2.445 17604 536 1 1 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.345 0.062 17604 537 1 1 . 1 1 135 135 LYS C C 135 176.809 176.809 176.635 0.174 17604 538 1 1 . 1 1 135 135 LYS CA C 135 55.912 55.912 55.770 0.141 17604 539 1 1 . 1 1 135 135 LYS H H 135 7.276 7.276 7.565 -0.289 17604 540 1 1 . 1 1 136 136 SER N N 136 115.694 115.694 114.630 1.064 17604 541 1 1 . 1 1 136 136 SER HA H 136 4.427 4.427 4.564 -0.137 17604 542 1 1 . 1 1 136 136 SER C C 136 174.351 174.351 175.476 -1.125 17604 543 1 1 . 1 1 136 136 SER CA C 136 58.922 58.922 57.351 1.571 17604 544 1 1 . 1 1 136 136 SER H H 136 7.550 7.550 7.753 -0.203 17604 545 1 1 . 1 1 137 137 ARG N N 137 122.410 122.410 120.973 1.437 17604 546 1 1 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.240 0.008 17604 547 1 1 . 1 1 137 137 ARG C C 137 178.462 178.462 178.126 0.336 17604 548 1 1 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.318 -0.751 17604 549 1 1 . 1 1 137 137 ARG H H 137 8.694 8.694 8.945 -0.251 17604 550 1 1 . 1 1 138 138 TRP N N 138 119.884 119.884 123.246 -3.362 17604 551 1 1 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.367 -0.185 17604 552 1 1 . 1 1 138 138 TRP C C 138 175.710 175.710 177.698 -1.988 17604 553 1 1 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.795 2.305 17604 554 1 1 . 1 1 138 138 TRP H H 138 8.476 8.476 8.207 0.269 17604 555 1 1 . 1 1 139 139 TYR N N 139 118.715 118.715 119.574 -0.859 17604 556 1 1 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.900 -0.900 17604 557 1 1 . 1 1 139 139 TYR C C 139 175.701 175.701 177.374 -1.673 17604 558 1 1 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.644 -1.448 17604 559 1 1 . 1 1 139 139 TYR H H 139 7.851 7.851 8.059 -0.208 17604 560 1 1 . 1 1 140 140 ASN N N 140 111.811 111.811 115.916 -4.105 17604 561 1 1 . 1 1 140 140 ASN C C 140 176.521 176.521 176.902 -0.381 17604 562 1 1 . 1 1 141 141 GLN N N 141 117.421 117.421 116.826 0.595 17604 563 1 1 . 1 1 141 141 GLN C C 141 176.598 176.598 176.404 0.194 17604 564 1 1 . 1 1 141 141 GLN H H 141 7.779 7.779 7.501 0.278 17604 565 1 1 . 1 1 142 142 THR N N 142 111.422 111.422 110.338 1.084 17604 566 1 1 . 1 1 142 142 THR H H 142 7.046 7.046 7.567 -0.521 17604 567 1 1 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.331 0.613 17604 568 1 1 . 1 1 143 143 PRO C C 143 178.463 178.463 177.793 0.670 17604 569 1 1 . 1 1 144 144 ASN N N 144 116.489 116.489 115.005 1.484 17604 570 1 1 . 1 1 144 144 ASN C C 144 177.480 177.480 177.360 0.120 17604 571 1 1 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.267 -0.163 17604 572 1 1 . 1 1 144 144 ASN H H 144 8.194 8.194 8.550 -0.356 17604 573 1 1 . 1 1 145 145 ARG N N 145 121.900 121.900 120.741 1.159 17604 574 1 1 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.049 -0.147 17604 575 1 1 . 1 1 145 145 ARG C C 145 176.937 176.937 178.174 -1.237 17604 576 1 1 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.231 -1.670 17604 577 1 1 . 1 1 145 145 ARG H H 145 7.854 7.854 8.191 -0.337 17604 578 1 1 . 1 1 146 146 ALA N N 146 119.119 119.119 121.689 -2.570 17604 579 1 1 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.386 -0.401 17604 580 1 1 . 1 1 146 146 ALA C C 146 179.367 179.367 179.062 0.305 17604 581 1 1 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.337 -0.051 17604 582 1 1 . 1 1 146 146 ALA H H 146 8.439 8.439 8.468 -0.029 17604 583 1 1 . 1 1 147 147 LYS N N 147 116.600 116.600 119.109 -2.509 17604 584 1 1 . 1 1 147 147 LYS C C 147 180.052 180.052 178.966 1.086 17604 585 1 1 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.930 0.714 17604 586 1 1 . 1 1 147 147 LYS H H 147 8.066 8.066 8.172 -0.106 17604 587 1 1 . 1 1 148 148 ARG N N 148 119.327 119.327 118.924 0.403 17604 588 1 1 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.936 -0.162 17604 589 1 1 . 1 1 148 148 ARG C C 148 180.211 180.211 178.986 1.225 17604 590 1 1 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.359 1.057 17604 591 1 1 . 1 1 148 148 ARG H H 148 7.489 7.489 7.722 -0.233 17604 592 1 1 . 1 1 149 149 VAL N N 149 125.204 125.204 120.512 4.692 17604 593 1 1 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.746 -0.357 17604 594 1 1 . 1 1 149 149 VAL C C 149 178.523 178.523 178.275 0.248 17604 595 1 1 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.620 1.675 17604 596 1 1 . 1 1 149 149 VAL H H 149 8.876 8.876 7.932 0.944 17604 597 1 1 . 1 1 150 150 ILE N N 150 121.036 121.036 120.941 0.095 17604 598 1 1 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.933 -0.040 17604 599 1 1 . 1 1 150 150 ILE C C 150 178.541 178.541 178.158 0.383 17604 600 1 1 . 1 1 150 150 ILE H H 150 9.322 9.322 8.897 0.425 17604 601 1 1 . 1 1 151 151 THR N N 151 117.932 117.932 116.797 1.135 17604 602 1 1 . 1 1 151 151 THR C C 151 176.418 176.418 176.559 -0.141 17604 603 1 1 . 1 1 151 151 THR CA C 151 67.495 67.495 67.647 -0.152 17604 604 1 1 . 1 1 151 151 THR H H 151 8.382 8.382 8.531 -0.149 17604 605 1 1 . 1 1 152 152 THR N N 152 121.769 121.769 119.733 2.036 17604 606 1 1 . 1 1 152 152 THR HA H 152 4.117 4.117 4.186 -0.069 17604 607 1 1 . 1 1 152 152 THR C C 152 176.328 176.328 176.298 0.030 17604 608 1 1 . 1 1 152 152 THR CA C 152 67.646 67.646 66.866 0.780 17604 609 1 1 . 1 1 152 152 THR H H 152 7.982 7.982 7.763 0.219 17604 610 1 1 . 1 1 153 153 PHE N N 153 120.509 120.509 121.171 -0.662 17604 611 1 1 . 1 1 153 153 PHE C C 153 177.848 177.848 177.403 0.445 17604 612 1 1 . 1 1 153 153 PHE H H 153 8.410 8.410 8.220 0.190 17604 613 1 1 . 1 1 154 154 ARG N N 154 117.947 117.947 119.688 -1.741 17604 614 1 1 . 1 1 154 154 ARG C C 154 178.389 178.389 178.477 -0.088 17604 615 1 1 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.901 -0.130 17604 616 1 1 . 1 1 154 154 ARG H H 154 8.733 8.733 8.434 0.299 17604 617 1 1 . 1 1 155 155 THR N N 155 105.055 105.055 108.861 -3.806 17604 618 1 1 . 1 1 155 155 THR HA H 155 4.235 4.235 4.301 -0.066 17604 619 1 1 . 1 1 155 155 THR C C 155 176.705 176.705 175.762 0.943 17604 620 1 1 . 1 1 155 155 THR CA C 155 62.225 62.225 62.118 0.107 17604 621 1 1 . 1 1 155 155 THR H H 155 8.219 8.219 7.909 0.310 17604 622 1 1 . 1 1 156 156 GLY N N 156 111.712 111.712 112.332 -0.620 17604 623 1 1 . 1 1 156 156 GLY C C 156 172.901 172.901 174.176 -1.275 17604 624 1 1 . 1 1 156 156 GLY H H 156 8.500 8.500 8.019 0.481 17604 625 1 1 . 1 1 157 157 THR N N 157 108.367 108.367 110.540 -2.173 17604 626 1 1 . 1 1 157 157 THR HA H 157 4.646 4.646 4.374 0.272 17604 627 1 1 . 1 1 157 157 THR C C 157 174.042 174.042 173.028 1.014 17604 628 1 1 . 1 1 157 157 THR CA C 157 58.745 58.745 59.386 -0.641 17604 629 1 1 . 1 1 157 157 THR H H 157 7.568 7.568 7.255 0.313 17604 630 1 1 . 1 1 158 158 TRP N N 158 117.864 117.864 119.712 -1.848 17604 631 1 1 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.929 0.095 17604 632 1 1 . 1 1 158 158 TRP C C 158 178.088 178.088 176.862 1.226 17604 633 1 1 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.462 -0.324 17604 634 1 1 . 1 1 158 158 TRP H H 158 8.512 8.512 8.601 -0.089 17604 635 1 1 . 1 1 159 159 ASP N N 159 119.522 119.522 122.134 -2.612 17604 636 1 1 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.456 -0.260 17604 637 1 1 . 1 1 159 159 ASP C C 159 177.430 177.430 178.092 -0.662 17604 638 1 1 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.612 1.046 17604 639 1 1 . 1 1 159 159 ASP H H 159 7.972 7.972 7.834 0.138 17604 640 1 1 . 1 1 160 160 ALA N N 160 119.939 119.939 121.159 -1.220 17604 641 1 1 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.176 -0.003 17604 642 1 1 . 1 1 160 160 ALA C C 160 177.293 177.293 177.924 -0.631 17604 643 1 1 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.654 -0.074 17604 644 1 1 . 1 1 160 160 ALA H H 160 9.143 9.143 8.336 0.807 17604 645 1 1 . 1 1 161 161 TYR N N 161 113.613 113.613 113.325 0.288 17604 646 1 1 . 1 1 161 161 TYR C C 161 175.078 175.078 177.427 -2.349 17604 647 1 1 . 1 1 161 161 TYR H H 161 8.071 8.071 8.009 0.062 17604 648 1 1 . 1 1 162 162 LYS N N 162 119.559 119.559 120.350 -0.791 17604 649 1 1 . 1 1 162 162 LYS C C 162 176.124 176.124 177.874 -1.750 17604 650 1 1 . 1 1 162 162 LYS H H 162 7.266 7.266 7.666 -0.400 17604 651 1 1 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 652 1 1 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.680 -0.153 17604 653 1 1 . 1 1 163 163 ASN C C 163 173.671 173.671 175.323 -1.652 17604 654 1 1 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.504 0.537 17604 655 1 1 . 1 1 163 163 ASN H H 163 8.629 8.629 8.405 0.224 17604 656 1 2 . 1 1 2 2 ASN N N 2 115.717 115.717 119.827 -4.110 17604 657 1 2 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.558 -0.047 17604 658 1 2 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.026 0.399 17604 659 1 2 . 1 1 2 2 ASN H H 2 6.884 6.884 7.743 -0.859 17604 660 1 2 . 1 1 3 3 ILE N N 3 116.556 116.556 119.911 -3.355 17604 661 1 2 . 1 1 3 3 ILE C C 3 174.025 174.025 176.401 -2.376 17604 662 1 2 . 1 1 3 3 ILE H H 3 8.891 8.891 8.477 0.414 17604 663 1 2 . 1 1 4 4 PHE N N 4 121.687 121.687 118.805 2.882 17604 664 1 2 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.186 -0.108 17604 665 1 2 . 1 1 4 4 PHE C C 4 177.177 177.177 178.076 -0.899 17604 666 1 2 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.293 -1.694 17604 667 1 2 . 1 1 4 4 PHE H H 4 7.295 7.295 8.033 -0.738 17604 668 1 2 . 1 1 5 5 GLU N N 5 118.203 118.203 119.571 -1.368 17604 669 1 2 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.907 -0.066 17604 670 1 2 . 1 1 5 5 GLU C C 5 178.279 178.279 179.018 -0.739 17604 671 1 2 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.165 -0.389 17604 672 1 2 . 1 1 5 5 GLU H H 5 7.886 7.886 8.597 -0.711 17604 673 1 2 . 1 1 6 6 MET N N 6 118.175 118.175 120.961 -2.786 17604 674 1 2 . 1 1 6 6 MET HA H 6 3.243 3.243 3.762 -0.519 17604 675 1 2 . 1 1 6 6 MET C C 6 177.116 177.116 178.039 -0.923 17604 676 1 2 . 1 1 6 6 MET CA C 6 58.652 58.652 59.255 -0.603 17604 677 1 2 . 1 1 7 7 LEU N N 7 116.108 116.108 118.356 -2.248 17604 678 1 2 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.956 -0.002 17604 679 1 2 . 1 1 7 7 LEU C C 7 178.529 178.529 178.759 -0.230 17604 680 1 2 . 1 1 7 7 LEU H H 7 8.029 8.029 8.213 -0.184 17604 681 1 2 . 1 1 8 8 ARG N N 8 120.650 120.650 120.118 0.532 17604 682 1 2 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.856 -0.293 17604 683 1 2 . 1 1 8 8 ARG C C 8 180.117 180.117 178.768 1.349 17604 684 1 2 . 1 1 8 8 ARG H H 8 8.121 8.121 8.131 -0.010 17604 685 1 2 . 1 1 9 9 ILE N N 9 120.885 120.885 118.713 2.172 17604 686 1 2 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.764 -0.277 17604 687 1 2 . 1 1 9 9 ILE C C 9 177.395 177.395 177.401 -0.006 17604 688 1 2 . 1 1 9 9 ILE H H 9 7.619 7.619 7.962 -0.343 17604 689 1 2 . 1 1 10 10 ASP N N 10 117.684 117.684 117.883 -0.199 17604 690 1 2 . 1 1 10 10 ASP C C 10 177.857 177.857 178.398 -0.541 17604 691 1 2 . 1 1 10 10 ASP CA C 10 58.262 58.262 57.020 1.242 17604 692 1 2 . 1 1 10 10 ASP H H 10 8.012 8.012 7.981 0.031 17604 693 1 2 . 1 1 11 11 GLU N N 11 115.103 115.103 116.147 -1.044 17604 694 1 2 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.578 -0.030 17604 695 1 2 . 1 1 11 11 GLU C C 11 178.204 178.204 177.074 1.130 17604 696 1 2 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.688 -0.281 17604 697 1 2 . 1 1 11 11 GLU H H 11 8.837 8.837 8.333 0.504 17604 698 1 2 . 1 1 12 12 GLY N N 12 109.255 109.255 108.559 0.696 17604 699 1 2 . 1 1 12 12 GLY C C 12 170.041 170.041 171.931 -1.890 17604 700 1 2 . 1 1 13 13 LEU N N 13 117.280 117.280 121.462 -4.182 17604 701 1 2 . 1 1 13 13 LEU C C 13 175.609 175.609 175.116 0.493 17604 702 1 2 . 1 1 13 13 LEU H H 13 7.770 7.770 8.212 -0.442 17604 703 1 2 . 1 1 14 14 ARG N N 14 126.444 126.444 125.082 1.362 17604 704 1 2 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.655 0.010 17604 705 1 2 . 1 1 14 14 ARG C C 14 175.900 175.900 175.902 -0.002 17604 706 1 2 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.879 -0.788 17604 707 1 2 . 1 1 14 14 ARG H H 14 8.272 8.272 8.227 0.045 17604 708 1 2 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 709 1 2 . 1 1 15 15 LEU C C 15 173.723 173.723 176.045 -2.322 17604 710 1 2 . 1 1 15 15 LEU H H 15 8.806 8.806 8.649 0.157 17604 711 1 2 . 1 1 16 16 LYS N N 16 114.983 114.983 119.352 -4.369 17604 712 1 2 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 713 1 2 . 1 1 16 16 LYS C C 16 176.104 176.104 176.751 -0.647 17604 714 1 2 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.200 -0.612 17604 715 1 2 . 1 1 16 16 LYS H H 16 7.124 7.124 7.317 -0.193 17604 716 1 2 . 1 1 17 17 ILE N N 17 120.664 120.664 126.321 -5.657 17604 717 1 2 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.290 -0.157 17604 718 1 2 . 1 1 17 17 ILE C C 17 174.773 174.773 176.489 -1.716 17604 719 1 2 . 1 1 17 17 ILE H H 17 7.556 7.556 8.256 -0.700 17604 720 1 2 . 1 1 18 18 TYR N N 18 127.713 127.713 125.978 1.735 17604 721 1 2 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.116 -0.002 17604 722 1 2 . 1 1 18 18 TYR C C 18 172.709 172.709 173.525 -0.816 17604 723 1 2 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.293 -0.005 17604 724 1 2 . 1 1 18 18 TYR H H 18 9.391 9.391 9.089 0.302 17604 725 1 2 . 1 1 19 19 LYS N N 19 122.584 122.584 120.908 1.676 17604 726 1 2 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.551 0.012 17604 727 1 2 . 1 1 19 19 LYS C C 19 176.060 176.060 176.223 -0.163 17604 728 1 2 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.005 0.020 17604 729 1 2 . 1 1 19 19 LYS H H 19 8.342 8.342 8.413 -0.071 17604 730 1 2 . 1 1 20 20 ASP N N 20 124.864 124.864 124.492 0.372 17604 731 1 2 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.755 -0.184 17604 732 1 2 . 1 1 20 20 ASP C C 20 178.088 178.088 178.275 -0.187 17604 733 1 2 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.178 -0.458 17604 734 1 2 . 1 1 20 20 ASP H H 20 8.509 8.509 8.813 -0.304 17604 735 1 2 . 1 1 21 21 THR N N 21 110.253 110.253 109.375 0.878 17604 736 1 2 . 1 1 21 21 THR HA H 21 3.978 3.978 4.069 -0.091 17604 737 1 2 . 1 1 21 21 THR C C 21 175.847 175.847 175.748 0.099 17604 738 1 2 . 1 1 21 21 THR CA C 21 65.115 65.115 64.883 0.232 17604 739 1 2 . 1 1 21 21 THR H H 21 7.975 7.975 8.571 -0.596 17604 740 1 2 . 1 1 22 22 GLU N N 22 120.058 120.058 119.906 0.152 17604 741 1 2 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.286 -0.126 17604 742 1 2 . 1 1 22 22 GLU C C 22 175.511 175.511 176.352 -0.841 17604 743 1 2 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.905 0.067 17604 744 1 2 . 1 1 23 23 GLY N N 23 106.801 106.801 106.728 0.073 17604 745 1 2 . 1 1 23 23 GLY C C 23 173.498 173.498 174.027 -0.529 17604 746 1 2 . 1 1 23 23 GLY H H 23 7.831 7.831 7.835 -0.004 17604 747 1 2 . 1 1 24 24 TYR N N 24 120.577 120.577 119.570 1.007 17604 748 1 2 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.506 0.443 17604 749 1 2 . 1 1 24 24 TYR C C 24 177.646 177.646 175.805 1.841 17604 750 1 2 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.456 -1.752 17604 751 1 2 . 1 1 24 24 TYR H H 24 8.190 8.190 8.087 0.103 17604 752 1 2 . 1 1 25 25 TYR N N 25 122.599 122.599 123.190 -0.591 17604 753 1 2 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.888 0.005 17604 754 1 2 . 1 1 25 25 TYR C C 25 175.225 175.225 176.198 -0.973 17604 755 1 2 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.009 -0.178 17604 756 1 2 . 1 1 25 25 TYR H H 25 8.730 8.730 8.878 -0.148 17604 757 1 2 . 1 1 26 26 THR N N 26 120.566 120.566 118.034 2.532 17604 758 1 2 . 1 1 26 26 THR C C 26 170.704 170.704 172.605 -1.901 17604 759 1 2 . 1 1 26 26 THR CA C 26 60.848 60.848 61.272 -0.424 17604 760 1 2 . 1 1 26 26 THR H H 26 9.394 9.394 9.064 0.330 17604 761 1 2 . 1 1 27 27 ILE N N 27 120.480 120.480 120.670 -0.190 17604 762 1 2 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.514 0.121 17604 763 1 2 . 1 1 27 27 ILE C C 27 172.588 172.588 174.633 -2.045 17604 764 1 2 . 1 1 27 27 ILE H H 27 8.842 8.842 8.521 0.321 17604 765 1 2 . 1 1 28 28 GLY N N 28 112.034 112.034 112.803 -0.769 17604 766 1 2 . 1 1 28 28 GLY C C 28 174.725 174.725 174.194 0.531 17604 767 1 2 . 1 1 28 28 GLY H H 28 8.585 8.585 8.798 -0.213 17604 768 1 2 . 1 1 29 29 ILE N N 29 134.307 134.307 125.114 9.193 17604 769 1 2 . 1 1 29 29 ILE C C 29 176.641 176.641 176.624 0.017 17604 770 1 2 . 1 1 29 29 ILE H H 29 10.269 10.269 8.644 1.625 17604 771 1 2 . 1 1 30 30 GLY N N 30 107.697 107.697 112.455 -4.758 17604 772 1 2 . 1 1 30 30 GLY C C 30 173.103 173.103 174.202 -1.099 17604 773 1 2 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.049 0.598 17604 774 1 2 . 1 1 30 30 GLY H H 30 8.159 8.159 8.388 -0.229 17604 775 1 2 . 1 1 31 31 HIS N N 31 115.580 115.580 120.117 -4.537 17604 776 1 2 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.591 -0.247 17604 777 1 2 . 1 1 31 31 HIS C C 31 173.242 173.242 174.587 -1.345 17604 778 1 2 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.956 1.701 17604 779 1 2 . 1 1 31 31 HIS H H 31 8.274 8.274 8.385 -0.111 17604 780 1 2 . 1 1 32 32 LEU N N 32 131.965 131.965 128.592 3.373 17604 781 1 2 . 1 1 32 32 LEU C C 32 176.441 176.441 175.669 0.772 17604 782 1 2 . 1 1 32 32 LEU H H 32 7.916 7.916 8.810 -0.894 17604 783 1 2 . 1 1 33 33 LEU N N 33 125.891 125.891 126.343 -0.452 17604 784 1 2 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.359 0.138 17604 785 1 2 . 1 1 33 33 LEU C C 33 176.188 176.188 177.126 -0.938 17604 786 1 2 . 1 1 33 33 LEU H H 33 9.078 9.078 8.775 0.303 17604 787 1 2 . 1 1 34 34 THR N N 34 109.694 109.694 109.006 0.688 17604 788 1 2 . 1 1 34 34 THR HA H 34 4.465 4.465 4.387 0.078 17604 789 1 2 . 1 1 34 34 THR C C 34 171.627 171.627 172.291 -0.664 17604 790 1 2 . 1 1 34 34 THR CA C 34 60.050 60.050 61.370 -1.320 17604 791 1 2 . 1 1 34 34 THR H H 34 7.266 7.266 7.375 -0.109 17604 792 1 2 . 1 1 35 35 LYS N N 35 124.851 124.851 122.546 2.305 17604 793 1 2 . 1 1 35 35 LYS C C 35 176.730 176.730 176.747 -0.017 17604 794 1 2 . 1 1 35 35 LYS H H 35 8.583 8.583 8.276 0.307 17604 795 1 2 . 1 1 36 36 SER N N 36 119.457 119.457 117.675 1.782 17604 796 1 2 . 1 1 36 36 SER H H 36 8.748 8.748 7.775 0.973 17604 797 1 2 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.581 0.304 17604 798 1 2 . 1 1 37 37 PRO C C 37 177.051 177.051 176.788 0.263 17604 799 1 2 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.426 -0.197 17604 800 1 2 . 1 1 38 38 SER N N 38 116.302 116.302 116.061 0.241 17604 801 1 2 . 1 1 38 38 SER HA H 38 4.730 4.730 4.569 0.161 17604 802 1 2 . 1 1 38 38 SER C C 38 174.400 174.400 175.321 -0.921 17604 803 1 2 . 1 1 38 38 SER CA C 38 56.315 56.315 56.691 -0.376 17604 804 1 2 . 1 1 38 38 SER H H 38 8.230 8.230 7.722 0.508 17604 805 1 2 . 1 1 39 39 LEU N N 39 133.066 133.066 130.479 2.587 17604 806 1 2 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.350 0.094 17604 807 1 2 . 1 1 39 39 LEU C C 39 178.462 178.462 177.567 0.895 17604 808 1 2 . 1 1 39 39 LEU H H 39 8.961 8.961 8.791 0.170 17604 809 1 2 . 1 1 40 40 ASN N N 40 116.781 116.781 117.516 -0.735 17604 810 1 2 . 1 1 40 40 ASN C C 40 178.279 178.279 177.436 0.843 17604 811 1 2 . 1 1 40 40 ASN H H 40 8.282 8.282 8.219 0.063 17604 812 1 2 . 1 1 41 41 ALA N N 41 123.917 123.917 122.975 0.942 17604 813 1 2 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.995 0.218 17604 814 1 2 . 1 1 41 41 ALA C C 41 179.882 179.882 178.893 0.989 17604 815 1 2 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.928 -0.215 17604 816 1 2 . 1 1 41 41 ALA H H 41 7.746 7.746 7.597 0.149 17604 817 1 2 . 1 1 42 42 ALA N N 42 120.972 120.972 121.296 -0.324 17604 818 1 2 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.873 -0.132 17604 819 1 2 . 1 1 42 42 ALA C C 42 178.822 178.822 179.452 -0.630 17604 820 1 2 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.103 0.330 17604 821 1 2 . 1 1 42 42 ALA H H 42 7.593 7.593 7.856 -0.263 17604 822 1 2 . 1 1 43 43 LYS N N 43 117.113 117.113 118.142 -1.029 17604 823 1 2 . 1 1 43 43 LYS C C 43 177.715 177.715 178.920 -1.205 17604 824 1 2 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 825 1 2 . 1 1 44 44 SER N N 44 113.825 113.825 115.251 -1.426 17604 826 1 2 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 827 1 2 . 1 1 44 44 SER CA C 44 61.708 61.708 61.392 0.316 17604 828 1 2 . 1 1 44 44 SER H H 44 7.927 7.927 8.145 -0.218 17604 829 1 2 . 1 1 45 45 GLU N N 45 120.104 120.104 121.229 -1.125 17604 830 1 2 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.041 0.080 17604 831 1 2 . 1 1 45 45 GLU C C 45 179.367 179.367 179.149 0.218 17604 832 1 2 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.997 -0.481 17604 833 1 2 . 1 1 46 46 LEU N N 46 122.714 122.714 122.366 0.348 17604 834 1 2 . 1 1 46 46 LEU C C 46 177.304 177.304 178.307 -1.003 17604 835 1 2 . 1 1 46 46 LEU H H 46 8.304 8.304 8.316 -0.012 17604 836 1 2 . 1 1 47 47 ASP N N 47 120.220 120.220 119.879 0.341 17604 837 1 2 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 838 1 2 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.417 -0.151 17604 839 1 2 . 1 1 47 47 ASP H H 47 8.651 8.651 8.425 0.226 17604 840 1 2 . 1 1 48 48 LYS N N 48 120.884 120.884 120.006 0.878 17604 841 1 2 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.052 17604 842 1 2 . 1 1 48 48 LYS C C 48 178.238 178.238 178.306 -0.068 17604 843 1 2 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.869 0.241 17604 844 1 2 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 845 1 2 . 1 1 49 49 ALA N N 49 121.076 121.076 121.930 -0.854 17604 846 1 2 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.220 -0.054 17604 847 1 2 . 1 1 49 49 ALA C C 49 179.471 179.471 179.198 0.273 17604 848 1 2 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.554 -0.187 17604 849 1 2 . 1 1 49 49 ALA H H 49 7.926 7.926 7.967 -0.041 17604 850 1 2 . 1 1 50 50 ILE N N 50 114.845 114.845 115.946 -1.101 17604 851 1 2 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.048 0.029 17604 852 1 2 . 1 1 50 50 ILE C C 50 177.256 177.256 177.208 0.048 17604 853 1 2 . 1 1 50 50 ILE H H 50 8.379 8.379 7.712 0.667 17604 854 1 2 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.584 17604 855 1 2 . 1 1 51 51 GLY C C 51 173.731 173.731 173.776 -0.045 17604 856 1 2 . 1 1 51 51 GLY H H 51 8.380 8.380 8.379 0.001 17604 857 1 2 . 1 1 52 52 ARG N N 52 115.489 115.489 116.553 -1.064 17604 858 1 2 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 859 1 2 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 860 1 2 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17604 861 1 2 . 1 1 53 53 ASN N N 53 115.422 115.422 120.459 -5.037 17604 862 1 2 . 1 1 53 53 ASN C C 53 175.434 175.434 175.001 0.433 17604 863 1 2 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 864 1 2 . 1 1 54 54 THR N N 54 119.611 119.611 118.071 1.540 17604 865 1 2 . 1 1 54 54 THR HA H 54 4.303 4.303 4.495 -0.192 17604 866 1 2 . 1 1 54 54 THR C C 54 177.316 177.316 174.678 2.638 17604 867 1 2 . 1 1 54 54 THR CA C 54 63.742 63.742 60.880 2.862 17604 868 1 2 . 1 1 54 54 THR H H 54 9.079 9.079 8.773 0.306 17604 869 1 2 . 1 1 55 55 ASN N N 55 120.102 120.102 118.466 1.636 17604 870 1 2 . 1 1 55 55 ASN C C 55 175.771 175.771 175.687 0.084 17604 871 1 2 . 1 1 55 55 ASN H H 55 9.477 9.477 8.339 1.138 17604 872 1 2 . 1 1 56 56 GLY N N 56 102.932 102.932 108.319 -5.387 17604 873 1 2 . 1 1 56 56 GLY C C 56 172.123 172.123 172.886 -0.763 17604 874 1 2 . 1 1 56 56 GLY H H 56 8.688 8.688 7.850 0.838 17604 875 1 2 . 1 1 57 57 VAL N N 57 120.312 120.312 118.578 1.734 17604 876 1 2 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.291 -0.171 17604 877 1 2 . 1 1 57 57 VAL C C 57 174.887 174.887 174.884 0.003 17604 878 1 2 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.688 0.977 17604 879 1 2 . 1 1 57 57 VAL H H 57 7.473 7.473 7.422 0.051 17604 880 1 2 . 1 1 58 58 ILE N N 58 116.909 116.909 121.372 -4.463 17604 881 1 2 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.095 -0.220 17604 882 1 2 . 1 1 58 58 ILE C C 58 175.410 175.410 175.214 0.196 17604 883 1 2 . 1 1 58 58 ILE H H 58 8.545 8.545 9.075 -0.530 17604 884 1 2 . 1 1 59 59 THR N N 59 109.210 109.210 112.613 -3.403 17604 885 1 2 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 886 1 2 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 887 1 2 . 1 1 59 59 THR CA C 59 59.842 59.842 60.185 -0.343 17604 888 1 2 . 1 1 59 59 THR H H 59 8.694 8.694 9.059 -0.365 17604 889 1 2 . 1 1 60 60 LYS N N 60 121.466 121.466 121.692 -0.226 17604 890 1 2 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 891 1 2 . 1 1 60 60 LYS C C 60 178.086 178.086 178.331 -0.245 17604 892 1 2 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.463 0.394 17604 893 1 2 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 894 1 2 . 1 1 61 61 ASP N N 61 117.243 117.243 118.410 -1.167 17604 895 1 2 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.409 -0.059 17604 896 1 2 . 1 1 61 61 ASP C C 61 179.628 179.628 179.026 0.602 17604 897 1 2 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.523 -0.329 17604 898 1 2 . 1 1 61 61 ASP H H 61 8.252 8.252 8.533 -0.281 17604 899 1 2 . 1 1 62 62 GLU N N 62 121.473 121.473 120.195 1.278 17604 900 1 2 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.066 -0.183 17604 901 1 2 . 1 1 62 62 GLU C C 62 178.781 178.781 178.825 -0.044 17604 902 1 2 . 1 1 62 62 GLU H H 62 7.713 7.713 7.905 -0.192 17604 903 1 2 . 1 1 63 63 ALA N N 63 121.213 121.213 122.793 -1.580 17604 904 1 2 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.951 -0.057 17604 905 1 2 . 1 1 63 63 ALA C C 63 180.801 180.801 179.763 1.038 17604 906 1 2 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.688 -0.584 17604 907 1 2 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 908 1 2 . 1 1 64 64 GLU N N 64 119.853 119.853 118.217 1.636 17604 909 1 2 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 910 1 2 . 1 1 64 64 GLU C C 64 177.889 177.889 178.923 -1.034 17604 911 1 2 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.419 0.873 17604 912 1 2 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 913 1 2 . 1 1 65 65 LYS N N 65 122.118 122.118 121.369 0.749 17604 914 1 2 . 1 1 65 65 LYS C C 65 179.896 179.896 179.007 0.889 17604 915 1 2 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.641 0.047 17604 916 1 2 . 1 1 65 65 LYS H H 65 7.893 7.893 8.006 -0.113 17604 917 1 2 . 1 1 66 66 LEU N N 66 118.262 118.262 119.319 -1.057 17604 918 1 2 . 1 1 66 66 LEU C C 66 177.988 177.988 179.100 -1.112 17604 919 1 2 . 1 1 66 66 LEU H H 66 7.705 7.705 8.099 -0.394 17604 920 1 2 . 1 1 67 67 PHE N N 67 118.838 118.838 120.240 -1.402 17604 921 1 2 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.278 0.990 17604 922 1 2 . 1 1 67 67 PHE C C 67 177.256 177.256 177.542 -0.286 17604 923 1 2 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.828 -1.139 17604 924 1 2 . 1 1 67 67 PHE H H 67 8.060 8.060 8.461 -0.401 17604 925 1 2 . 1 1 68 68 ASN N N 68 117.691 117.691 117.407 0.284 17604 926 1 2 . 1 1 68 68 ASN C C 68 178.790 178.790 177.576 1.214 17604 927 1 2 . 1 1 68 68 ASN H H 68 8.473 8.473 8.571 -0.098 17604 928 1 2 . 1 1 69 69 GLN N N 69 118.450 118.450 119.189 -0.739 17604 929 1 2 . 1 1 69 69 GLN C C 69 178.971 178.971 178.453 0.518 17604 930 1 2 . 1 1 69 69 GLN H H 69 7.788 7.788 8.091 -0.303 17604 931 1 2 . 1 1 70 70 ASP N N 70 123.108 123.108 120.948 2.160 17604 932 1 2 . 1 1 70 70 ASP C C 70 179.925 179.925 178.998 0.927 17604 933 1 2 . 1 1 70 70 ASP H H 70 8.857 8.857 8.469 0.388 17604 934 1 2 . 1 1 71 71 VAL N N 71 125.622 125.622 120.719 4.903 17604 935 1 2 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.472 0.119 17604 936 1 2 . 1 1 71 71 VAL C C 71 177.173 177.173 177.555 -0.382 17604 937 1 2 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.776 1.614 17604 938 1 2 . 1 1 71 71 VAL H H 71 9.017 9.017 8.352 0.665 17604 939 1 2 . 1 1 72 72 ASP N N 72 118.829 118.829 119.985 -1.156 17604 940 1 2 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.245 0.108 17604 941 1 2 . 1 1 72 72 ASP C C 72 178.629 178.629 178.188 0.441 17604 942 1 2 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.303 0.322 17604 943 1 2 . 1 1 72 72 ASP H H 72 7.605 7.605 8.145 -0.540 17604 944 1 2 . 1 1 73 73 ALA N N 73 119.829 119.829 121.712 -1.883 17604 945 1 2 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.032 -0.004 17604 946 1 2 . 1 1 73 73 ALA C C 73 180.382 180.382 179.559 0.823 17604 947 1 2 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.054 0.085 17604 948 1 2 . 1 1 73 73 ALA H H 73 8.344 8.344 8.254 0.090 17604 949 1 2 . 1 1 74 74 ALA N N 74 123.039 123.039 121.834 1.205 17604 950 1 2 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.975 0.192 17604 951 1 2 . 1 1 74 74 ALA C C 74 179.701 179.701 179.522 0.179 17604 952 1 2 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.890 -0.219 17604 953 1 2 . 1 1 74 74 ALA H H 74 7.877 7.877 7.718 0.159 17604 954 1 2 . 1 1 75 75 VAL H H 75 8.180 8.180 7.885 0.295 17604 955 1 2 . 1 1 76 76 ARG N N 76 117.752 117.752 119.918 -2.166 17604 956 1 2 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.906 -0.091 17604 957 1 2 . 1 1 76 76 ARG C C 76 178.843 178.843 178.668 0.175 17604 958 1 2 . 1 1 76 76 ARG H H 76 8.416 8.416 8.632 -0.216 17604 959 1 2 . 1 1 77 77 GLY N N 77 105.782 105.782 106.955 -1.173 17604 960 1 2 . 1 1 77 77 GLY C C 77 176.137 176.137 176.046 0.091 17604 961 1 2 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.798 -0.741 17604 962 1 2 . 1 1 77 77 GLY H H 77 8.010 8.010 8.115 -0.105 17604 963 1 2 . 1 1 78 78 ILE N N 78 121.765 121.765 122.047 -0.282 17604 964 1 2 . 1 1 78 78 ILE C C 78 177.166 177.166 178.270 -1.104 17604 965 1 2 . 1 1 78 78 ILE H H 78 7.502 7.502 7.741 -0.239 17604 966 1 2 . 1 1 79 79 LEU N N 79 115.166 115.166 117.794 -2.628 17604 967 1 2 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.018 -0.191 17604 968 1 2 . 1 1 79 79 LEU C C 79 178.804 178.804 178.113 0.691 17604 969 1 2 . 1 1 79 79 LEU H H 79 7.903 7.903 8.034 -0.131 17604 970 1 2 . 1 1 80 80 ARG N N 80 114.734 114.734 114.608 0.126 17604 971 1 2 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.314 0.013 17604 972 1 2 . 1 1 80 80 ARG C C 80 175.118 175.118 175.794 -0.676 17604 973 1 2 . 1 1 80 80 ARG H H 80 7.707 7.707 7.644 0.063 17604 974 1 2 . 1 1 81 81 ASN N N 81 120.809 120.809 118.738 2.071 17604 975 1 2 . 1 1 81 81 ASN C C 81 174.581 174.581 175.219 -0.638 17604 976 1 2 . 1 1 81 81 ASN H H 81 7.498 7.498 7.508 -0.010 17604 977 1 2 . 1 1 82 82 ALA N N 82 127.902 127.902 129.628 -1.726 17604 978 1 2 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.172 -0.093 17604 979 1 2 . 1 1 82 82 ALA C C 82 178.943 178.943 178.569 0.374 17604 980 1 2 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.561 0.286 17604 981 1 2 . 1 1 82 82 ALA H H 82 8.849 8.849 8.974 -0.125 17604 982 1 2 . 1 1 83 83 LYS N N 83 114.166 114.166 117.367 -3.201 17604 983 1 2 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.243 0.046 17604 984 1 2 . 1 1 83 83 LYS C C 83 177.907 177.907 178.634 -0.727 17604 985 1 2 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.559 -1.219 17604 986 1 2 . 1 1 83 83 LYS H H 83 8.060 8.060 8.260 -0.200 17604 987 1 2 . 1 1 84 84 LEU N N 84 116.412 116.412 120.312 -3.900 17604 988 1 2 . 1 1 84 84 LEU C C 84 178.335 178.335 178.275 0.060 17604 989 1 2 . 1 1 84 84 LEU H H 84 7.531 7.531 8.418 -0.887 17604 990 1 2 . 1 1 85 85 LYS N N 85 121.080 121.080 120.636 0.444 17604 991 1 2 . 1 1 85 85 LYS H H 85 8.462 8.462 8.407 0.055 17604 992 1 2 . 1 1 86 86 PRO C C 86 179.959 179.959 179.201 0.758 17604 993 1 2 . 1 1 87 87 VAL N N 87 115.566 115.566 118.655 -3.089 17604 994 1 2 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.773 -0.029 17604 995 1 2 . 1 1 87 87 VAL C C 87 178.545 178.545 178.200 0.345 17604 996 1 2 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.155 -0.651 17604 997 1 2 . 1 1 87 87 VAL H H 87 6.893 6.893 7.284 -0.391 17604 998 1 2 . 1 1 88 88 TYR N N 88 122.544 122.544 120.645 1.899 17604 999 1 2 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.146 -0.247 17604 1000 1 2 . 1 1 88 88 TYR C C 88 177.722 177.722 178.254 -0.532 17604 1001 1 2 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.770 1.091 17604 1002 1 2 . 1 1 88 88 TYR H H 88 8.457 8.457 8.564 -0.107 17604 1003 1 2 . 1 1 89 89 ASP N N 89 117.217 117.217 118.217 -1.000 17604 1004 1 2 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.358 -0.037 17604 1005 1 2 . 1 1 89 89 ASP C C 89 177.849 177.849 178.411 -0.562 17604 1006 1 2 . 1 1 89 89 ASP H H 89 9.103 9.103 8.895 0.208 17604 1007 1 2 . 1 1 90 90 SER N N 90 113.279 113.279 113.464 -0.185 17604 1008 1 2 . 1 1 90 90 SER HA H 90 4.424 4.424 4.350 0.074 17604 1009 1 2 . 1 1 90 90 SER C C 90 174.362 174.362 175.160 -0.798 17604 1010 1 2 . 1 1 90 90 SER CA C 90 59.655 59.655 59.269 0.386 17604 1011 1 2 . 1 1 90 90 SER H H 90 7.365 7.365 7.613 -0.248 17604 1012 1 2 . 1 1 91 91 LEU N N 91 123.395 123.395 123.475 -0.080 17604 1013 1 2 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.520 -0.096 17604 1014 1 2 . 1 1 91 91 LEU C C 91 176.268 176.268 176.842 -0.574 17604 1015 1 2 . 1 1 91 91 LEU H H 91 7.458 7.458 7.332 0.126 17604 1016 1 2 . 1 1 92 92 ASP N N 92 115.456 115.456 121.997 -6.541 17604 1017 1 2 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.479 0.144 17604 1018 1 2 . 1 1 92 92 ASP C C 92 175.560 175.560 176.742 -1.182 17604 1019 1 2 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.978 -1.802 17604 1020 1 2 . 1 1 92 92 ASP H H 92 7.401 7.401 8.457 -1.056 17604 1021 1 2 . 1 1 93 93 ALA N N 93 119.761 119.761 122.086 -2.325 17604 1022 1 2 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.044 -0.247 17604 1023 1 2 . 1 1 93 93 ALA C C 93 179.896 179.896 179.752 0.144 17604 1024 1 2 . 1 1 93 93 ALA H H 93 8.687 8.687 8.539 0.148 17604 1025 1 2 . 1 1 94 94 VAL N N 94 118.785 118.785 118.195 0.590 17604 1026 1 2 . 1 1 94 94 VAL C C 94 177.307 177.307 177.849 -0.542 17604 1027 1 2 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.770 0.175 17604 1028 1 2 . 1 1 94 94 VAL H H 94 7.822 7.822 7.583 0.239 17604 1029 1 2 . 1 1 95 95 ARG N N 95 119.046 119.046 118.648 0.398 17604 1030 1 2 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.612 -0.033 17604 1031 1 2 . 1 1 95 95 ARG C C 95 178.424 178.424 178.717 -0.293 17604 1032 1 2 . 1 1 95 95 ARG H H 95 7.766 7.766 8.097 -0.331 17604 1033 1 2 . 1 1 96 96 ARG N N 96 118.034 118.034 119.575 -1.541 17604 1034 1 2 . 1 1 96 96 ARG C C 96 177.930 177.930 178.402 -0.472 17604 1035 1 2 . 1 1 96 96 ARG H H 96 8.629 8.629 8.394 0.235 17604 1036 1 2 . 1 1 97 97 ALA N N 97 119.949 119.949 121.345 -1.396 17604 1037 1 2 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.008 0.060 17604 1038 1 2 . 1 1 97 97 ALA C C 97 178.702 178.702 178.944 -0.242 17604 1039 1 2 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.096 0.272 17604 1040 1 2 . 1 1 97 97 ALA H H 97 7.028 7.028 7.450 -0.422 17604 1041 1 2 . 1 1 98 98 ALA N N 98 118.852 118.852 121.100 -2.248 17604 1042 1 2 . 1 1 98 98 ALA C C 98 177.525 177.525 179.122 -1.597 17604 1043 1 2 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.581 0.741 17604 1044 1 2 . 1 1 98 98 ALA H H 98 7.200 7.200 7.221 -0.021 17604 1045 1 2 . 1 1 99 99 ALA N N 99 119.728 119.728 121.125 -1.397 17604 1046 1 2 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.060 -0.526 17604 1047 1 2 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.185 0.411 17604 1048 1 2 . 1 1 99 99 ALA H H 99 7.795 7.795 7.658 0.137 17604 1049 1 2 . 1 1 100 100 ILE N N 100 116.243 116.243 118.113 -1.870 17604 1050 1 2 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.666 -0.215 17604 1051 1 2 . 1 1 100 100 ILE C C 100 176.994 176.994 177.410 -0.416 17604 1052 1 2 . 1 1 100 100 ILE H H 100 8.093 8.093 8.244 -0.151 17604 1053 1 2 . 1 1 101 101 ASN N N 101 116.433 116.433 117.166 -0.733 17604 1054 1 2 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.463 -0.205 17604 1055 1 2 . 1 1 101 101 ASN C C 101 177.449 177.449 177.874 -0.425 17604 1056 1 2 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.922 0.904 17604 1057 1 2 . 1 1 101 101 ASN H H 101 8.097 8.097 7.984 0.113 17604 1058 1 2 . 1 1 102 102 MET N N 102 113.936 113.936 120.538 -6.602 17604 1059 1 2 . 1 1 102 102 MET HA H 102 3.657 3.657 4.098 -0.441 17604 1060 1 2 . 1 1 102 102 MET CA C 102 61.050 61.050 57.447 3.603 17604 1061 1 2 . 1 1 102 102 MET H H 102 7.719 7.719 7.991 -0.272 17604 1062 1 2 . 1 1 103 103 VAL N N 103 105.507 105.507 111.360 -5.853 17604 1063 1 2 . 1 1 103 103 VAL C C 103 175.510 175.510 175.840 -0.330 17604 1064 1 2 . 1 1 103 103 VAL CA C 103 61.665 61.665 61.385 0.280 17604 1065 1 2 . 1 1 103 103 VAL H H 103 7.320 7.320 7.571 -0.251 17604 1066 1 2 . 1 1 104 104 PHE N N 104 126.466 126.466 123.932 2.534 17604 1067 1 2 . 1 1 104 104 PHE C C 104 176.939 176.939 174.527 2.412 17604 1068 1 2 . 1 1 104 104 PHE H H 104 7.877 7.877 7.519 0.358 17604 1069 1 2 . 1 1 105 105 GLN N N 105 119.920 119.920 120.040 -0.120 17604 1070 1 2 . 1 1 105 105 GLN C C 105 174.943 174.943 174.445 0.498 17604 1071 1 2 . 1 1 105 105 GLN H H 105 8.540 8.540 8.133 0.407 17604 1072 1 2 . 1 1 106 106 MET N N 106 117.242 117.242 118.087 -0.845 17604 1073 1 2 . 1 1 106 106 MET HA H 106 4.146 4.146 4.635 -0.489 17604 1074 1 2 . 1 1 106 106 MET C C 106 177.126 177.126 176.432 0.694 17604 1075 1 2 . 1 1 106 106 MET CA C 106 54.786 54.786 53.699 1.087 17604 1076 1 2 . 1 1 106 106 MET H H 106 8.869 8.869 7.493 1.376 17604 1077 1 2 . 1 1 107 107 GLY N N 107 107.963 107.963 106.492 1.471 17604 1078 1 2 . 1 1 107 107 GLY C C 107 174.858 174.858 175.010 -0.152 17604 1079 1 2 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.927 1.171 17604 1080 1 2 . 1 1 107 107 GLY H H 107 7.819 7.819 8.149 -0.330 17604 1081 1 2 . 1 1 108 108 GLU N N 108 122.988 122.988 124.777 -1.789 17604 1082 1 2 . 1 1 108 108 GLU C C 108 179.500 179.500 178.509 0.991 17604 1083 1 2 . 1 1 108 108 GLU H H 108 8.778 8.778 8.979 -0.201 17604 1084 1 2 . 1 1 109 109 THR N N 109 112.024 112.024 110.519 1.505 17604 1085 1 2 . 1 1 109 109 THR HA H 109 4.193 4.193 4.176 0.017 17604 1086 1 2 . 1 1 109 109 THR C C 109 178.149 178.149 176.715 1.434 17604 1087 1 2 . 1 1 109 109 THR CA C 109 65.018 65.018 65.738 -0.720 17604 1088 1 2 . 1 1 109 109 THR H H 109 8.617 8.617 8.383 0.234 17604 1089 1 2 . 1 1 110 110 GLY N N 110 116.155 116.155 110.113 6.042 17604 1090 1 2 . 1 1 110 110 GLY C C 110 175.727 175.727 175.977 -0.250 17604 1091 1 2 . 1 1 110 110 GLY H H 110 8.631 8.631 7.373 1.258 17604 1092 1 2 . 1 1 111 111 VAL N N 111 120.428 120.428 123.069 -2.641 17604 1093 1 2 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.616 0.020 17604 1094 1 2 . 1 1 111 111 VAL C C 111 179.055 179.055 177.545 1.510 17604 1095 1 2 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.283 0.845 17604 1096 1 2 . 1 1 111 111 VAL H H 111 8.073 8.073 7.942 0.131 17604 1097 1 2 . 1 1 112 112 ALA N N 112 124.050 124.050 122.289 1.761 17604 1098 1 2 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.047 0.168 17604 1099 1 2 . 1 1 112 112 ALA C C 112 180.059 180.059 179.746 0.313 17604 1100 1 2 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.328 0.092 17604 1101 1 2 . 1 1 112 112 ALA H H 112 8.297 8.297 8.038 0.259 17604 1102 1 2 . 1 1 113 113 GLY N N 113 105.820 105.820 106.492 -0.672 17604 1103 1 2 . 1 1 113 113 GLY C C 113 175.656 175.656 176.035 -0.379 17604 1104 1 2 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.511 0.507 17604 1105 1 2 . 1 1 113 113 GLY H H 113 8.218 8.218 8.086 0.132 17604 1106 1 2 . 1 1 114 114 PHE N N 114 122.441 122.441 123.084 -0.643 17604 1107 1 2 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.157 0.051 17604 1108 1 2 . 1 1 114 114 PHE C C 114 177.316 177.316 177.982 -0.666 17604 1109 1 2 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.929 -1.056 17604 1110 1 2 . 1 1 114 114 PHE H H 114 8.111 8.111 8.213 -0.102 17604 1111 1 2 . 1 1 115 115 THR N N 115 114.602 114.602 115.078 -0.476 17604 1112 1 2 . 1 1 115 115 THR C C 115 176.611 176.611 176.806 -0.195 17604 1113 1 2 . 1 1 115 115 THR CA C 115 66.636 66.636 67.032 -0.396 17604 1114 1 2 . 1 1 115 115 THR H H 115 8.378 8.378 8.708 -0.330 17604 1115 1 2 . 1 1 116 116 ASN N N 116 119.071 119.071 118.920 0.151 17604 1116 1 2 . 1 1 116 116 ASN H H 116 8.276 8.276 7.897 0.379 17604 1117 1 2 . 1 1 117 117 SER C C 117 174.833 174.833 174.688 0.145 17604 1118 1 2 . 1 1 118 118 LEU N N 118 121.114 121.114 122.565 -1.451 17604 1119 1 2 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.652 0.520 17604 1120 1 2 . 1 1 118 118 LEU C C 118 177.954 177.954 177.861 0.093 17604 1121 1 2 . 1 1 118 118 LEU H H 118 7.336 7.336 7.154 0.182 17604 1122 1 2 . 1 1 119 119 ARG N N 119 117.315 117.315 118.519 -1.204 17604 1123 1 2 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.941 0.110 17604 1124 1 2 . 1 1 119 119 ARG C C 119 178.720 178.720 178.201 0.519 17604 1125 1 2 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.217 -0.596 17604 1126 1 2 . 1 1 119 119 ARG H H 119 8.329 8.329 7.650 0.679 17604 1127 1 2 . 1 1 120 120 MET N N 120 115.507 115.507 117.853 -2.346 17604 1128 1 2 . 1 1 120 120 MET HA H 120 3.969 3.969 4.110 -0.141 17604 1129 1 2 . 1 1 120 120 MET C C 120 178.161 178.161 178.689 -0.528 17604 1130 1 2 . 1 1 120 120 MET CA C 120 59.029 59.029 57.739 1.290 17604 1131 1 2 . 1 1 120 120 MET H H 120 7.408 7.408 7.999 -0.591 17604 1132 1 2 . 1 1 121 121 LEU N N 121 117.639 117.639 118.971 -1.332 17604 1133 1 2 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.942 -0.089 17604 1134 1 2 . 1 1 121 121 LEU C C 121 179.852 179.852 179.717 0.135 17604 1135 1 2 . 1 1 121 121 LEU H H 121 7.681 7.681 8.159 -0.478 17604 1136 1 2 . 1 1 122 122 GLN N N 122 120.423 120.423 119.598 0.825 17604 1137 1 2 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.026 -0.081 17604 1138 1 2 . 1 1 122 122 GLN C C 122 176.976 176.976 177.808 -0.832 17604 1139 1 2 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.222 1.168 17604 1140 1 2 . 1 1 122 122 GLN H H 122 8.689 8.689 8.193 0.496 17604 1141 1 2 . 1 1 123 123 GLN N N 123 113.631 113.631 115.619 -1.988 17604 1142 1 2 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.210 -0.138 17604 1143 1 2 . 1 1 123 123 GLN C C 123 174.455 174.455 175.082 -0.627 17604 1144 1 2 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.574 -0.394 17604 1145 1 2 . 1 1 123 123 GLN H H 123 7.251 7.251 7.531 -0.280 17604 1146 1 2 . 1 1 124 124 LYS N N 124 114.745 114.745 114.468 0.277 17604 1147 1 2 . 1 1 124 124 LYS C C 124 174.910 174.910 175.148 -0.238 17604 1148 1 2 . 1 1 124 124 LYS H H 124 7.291 7.291 7.380 -0.089 17604 1149 1 2 . 1 1 125 125 ARG N N 125 119.533 119.533 118.657 0.876 17604 1150 1 2 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 1151 1 2 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 1152 1 2 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.534 -0.348 17604 1153 1 2 . 1 1 125 125 ARG H H 125 7.715 7.715 7.855 -0.140 17604 1154 1 2 . 1 1 126 126 TRP N N 126 119.232 119.232 123.539 -4.307 17604 1155 1 2 . 1 1 126 126 TRP C C 126 178.891 178.891 177.709 1.182 17604 1156 1 2 . 1 1 126 126 TRP H H 126 6.888 6.888 7.441 -0.553 17604 1157 1 2 . 1 1 127 127 ASP N N 127 116.481 116.481 117.759 -1.278 17604 1158 1 2 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.414 0.002 17604 1159 1 2 . 1 1 127 127 ASP C C 127 178.854 178.854 178.546 0.308 17604 1160 1 2 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.993 -0.303 17604 1161 1 2 . 1 1 127 127 ASP H H 127 8.548 8.548 8.861 -0.313 17604 1162 1 2 . 1 1 128 128 GLU N N 128 120.565 120.565 120.369 0.196 17604 1163 1 2 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.031 -0.078 17604 1164 1 2 . 1 1 128 128 GLU C C 128 179.945 179.945 178.228 1.717 17604 1165 1 2 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.104 0.452 17604 1166 1 2 . 1 1 128 128 GLU H H 128 8.311 8.311 8.369 -0.058 17604 1167 1 2 . 1 1 129 129 ALA N N 129 122.262 122.262 122.009 0.253 17604 1168 1 2 . 1 1 129 129 ALA HA H 129 4.008 4.008 4.002 0.006 17604 1169 1 2 . 1 1 129 129 ALA C C 129 178.673 178.673 179.713 -1.040 17604 1170 1 2 . 1 1 129 129 ALA H H 129 8.630 8.630 8.537 0.093 17604 1171 1 2 . 1 1 130 130 ALA N N 130 119.515 119.515 121.032 -1.517 17604 1172 1 2 . 1 1 130 130 ALA C C 130 179.789 179.789 179.746 0.043 17604 1173 1 2 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.097 0.594 17604 1174 1 2 . 1 1 130 130 ALA H H 130 8.263 8.263 8.017 0.246 17604 1175 1 2 . 1 1 131 131 VAL N N 131 117.584 117.584 118.170 -0.586 17604 1176 1 2 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.488 0.091 17604 1177 1 2 . 1 1 131 131 VAL C C 131 178.341 178.341 178.897 -0.556 17604 1178 1 2 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.530 -0.408 17604 1179 1 2 . 1 1 131 131 VAL H H 131 7.883 7.883 8.191 -0.308 17604 1180 1 2 . 1 1 132 132 ASN N N 132 118.267 118.267 118.811 -0.544 17604 1181 1 2 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.517 -0.189 17604 1182 1 2 . 1 1 132 132 ASN C C 132 178.969 178.969 178.218 0.751 17604 1183 1 2 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.710 1.115 17604 1184 1 2 . 1 1 133 133 LEU N N 133 121.157 121.157 119.244 1.913 17604 1185 1 2 . 1 1 133 133 LEU C C 133 179.658 179.658 178.038 1.620 17604 1186 1 2 . 1 1 133 133 LEU H H 133 8.868 8.868 8.148 0.720 17604 1187 1 2 . 1 1 134 134 ALA N N 134 121.551 121.551 118.235 3.316 17604 1188 1 2 . 1 1 134 134 ALA C C 134 177.027 177.027 177.286 -0.259 17604 1189 1 2 . 1 1 134 134 ALA H H 134 7.720 7.720 7.219 0.501 17604 1190 1 2 . 1 1 135 135 LYS N N 135 115.144 115.144 117.788 -2.644 17604 1191 1 2 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.235 0.172 17604 1192 1 2 . 1 1 135 135 LYS C C 135 176.809 176.809 176.500 0.309 17604 1193 1 2 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.297 -0.385 17604 1194 1 2 . 1 1 135 135 LYS H H 135 7.276 7.276 7.406 -0.130 17604 1195 1 2 . 1 1 136 136 SER N N 136 115.694 115.694 115.584 0.110 17604 1196 1 2 . 1 1 136 136 SER HA H 136 4.427 4.427 4.500 -0.073 17604 1197 1 2 . 1 1 136 136 SER C C 136 174.351 174.351 175.650 -1.299 17604 1198 1 2 . 1 1 136 136 SER CA C 136 58.922 58.922 58.063 0.859 17604 1199 1 2 . 1 1 136 136 SER H H 136 7.550 7.550 7.503 0.047 17604 1200 1 2 . 1 1 137 137 ARG N N 137 122.410 122.410 127.173 -4.763 17604 1201 1 2 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.045 0.203 17604 1202 1 2 . 1 1 137 137 ARG C C 137 178.462 178.462 178.008 0.454 17604 1203 1 2 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.889 -1.323 17604 1204 1 2 . 1 1 137 137 ARG H H 137 8.694 8.694 9.161 -0.467 17604 1205 1 2 . 1 1 138 138 TRP N N 138 119.884 119.884 118.845 1.039 17604 1206 1 2 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.401 -0.219 17604 1207 1 2 . 1 1 138 138 TRP C C 138 175.710 175.710 177.754 -2.044 17604 1208 1 2 . 1 1 138 138 TRP CA C 138 62.100 62.100 61.273 0.827 17604 1209 1 2 . 1 1 138 138 TRP H H 138 8.476 8.476 7.893 0.583 17604 1210 1 2 . 1 1 139 139 TYR N N 139 118.715 118.715 120.009 -1.294 17604 1211 1 2 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.761 -0.761 17604 1212 1 2 . 1 1 139 139 TYR C C 139 175.701 175.701 176.978 -1.277 17604 1213 1 2 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.708 -1.512 17604 1214 1 2 . 1 1 139 139 TYR H H 139 7.851 7.851 7.810 0.041 17604 1215 1 2 . 1 1 140 140 ASN N N 140 111.811 111.811 115.549 -3.738 17604 1216 1 2 . 1 1 140 140 ASN C C 140 176.521 176.521 176.941 -0.420 17604 1217 1 2 . 1 1 141 141 GLN N N 141 117.421 117.421 118.221 -0.800 17604 1218 1 2 . 1 1 141 141 GLN C C 141 176.598 176.598 176.445 0.153 17604 1219 1 2 . 1 1 141 141 GLN H H 141 7.779 7.779 7.738 0.041 17604 1220 1 2 . 1 1 142 142 THR N N 142 111.422 111.422 109.978 1.444 17604 1221 1 2 . 1 1 142 142 THR H H 142 7.046 7.046 7.686 -0.640 17604 1222 1 2 . 1 1 143 143 PRO HA H 143 3.944 3.944 4.011 -0.067 17604 1223 1 2 . 1 1 143 143 PRO C C 143 178.463 178.463 177.753 0.710 17604 1224 1 2 . 1 1 144 144 ASN N N 144 116.489 116.489 116.488 0.001 17604 1225 1 2 . 1 1 144 144 ASN C C 144 177.480 177.480 177.340 0.140 17604 1226 1 2 . 1 1 144 144 ASN CA C 144 56.104 56.104 55.817 0.287 17604 1227 1 2 . 1 1 144 144 ASN H H 144 8.194 8.194 8.665 -0.471 17604 1228 1 2 . 1 1 145 145 ARG N N 145 121.900 121.900 120.332 1.568 17604 1229 1 2 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.332 -0.430 17604 1230 1 2 . 1 1 145 145 ARG C C 145 176.937 176.937 177.414 -0.477 17604 1231 1 2 . 1 1 145 145 ARG CA C 145 57.561 57.561 58.555 -0.994 17604 1232 1 2 . 1 1 145 145 ARG H H 145 7.854 7.854 7.339 0.515 17604 1233 1 2 . 1 1 146 146 ALA N N 146 119.119 119.119 123.135 -4.016 17604 1234 1 2 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.180 -0.195 17604 1235 1 2 . 1 1 146 146 ALA C C 146 179.367 179.367 179.243 0.124 17604 1236 1 2 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.418 -0.132 17604 1237 1 2 . 1 1 146 146 ALA H H 146 8.439 8.439 8.020 0.419 17604 1238 1 2 . 1 1 147 147 LYS N N 147 116.600 116.600 118.099 -1.499 17604 1239 1 2 . 1 1 147 147 LYS C C 147 180.052 180.052 179.141 0.911 17604 1240 1 2 . 1 1 147 147 LYS CA C 147 60.644 60.644 60.248 0.397 17604 1241 1 2 . 1 1 147 147 LYS H H 147 8.066 8.066 8.079 -0.013 17604 1242 1 2 . 1 1 148 148 ARG N N 148 119.327 119.327 119.469 -0.142 17604 1243 1 2 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.929 -0.155 17604 1244 1 2 . 1 1 148 148 ARG C C 148 180.211 180.211 178.789 1.422 17604 1245 1 2 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.202 1.214 17604 1246 1 2 . 1 1 148 148 ARG H H 148 7.489 7.489 7.818 -0.329 17604 1247 1 2 . 1 1 149 149 VAL N N 149 125.204 125.204 120.461 4.743 17604 1248 1 2 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.813 -0.424 17604 1249 1 2 . 1 1 149 149 VAL C C 149 178.523 178.523 178.283 0.240 17604 1250 1 2 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.545 1.750 17604 1251 1 2 . 1 1 149 149 VAL H H 149 8.876 8.876 7.957 0.919 17604 1252 1 2 . 1 1 150 150 ILE N N 150 121.036 121.036 120.951 0.085 17604 1253 1 2 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.906 -0.013 17604 1254 1 2 . 1 1 150 150 ILE C C 150 178.541 178.541 178.162 0.379 17604 1255 1 2 . 1 1 150 150 ILE H H 150 9.322 9.322 8.910 0.412 17604 1256 1 2 . 1 1 151 151 THR N N 151 117.932 117.932 116.802 1.130 17604 1257 1 2 . 1 1 151 151 THR C C 151 176.418 176.418 176.559 -0.141 17604 1258 1 2 . 1 1 151 151 THR CA C 151 67.495 67.495 67.646 -0.151 17604 1259 1 2 . 1 1 151 151 THR H H 151 8.382 8.382 8.529 -0.147 17604 1260 1 2 . 1 1 152 152 THR N N 152 121.769 121.769 119.775 1.994 17604 1261 1 2 . 1 1 152 152 THR HA H 152 4.117 4.117 4.193 -0.076 17604 1262 1 2 . 1 1 152 152 THR C C 152 176.328 176.328 176.296 0.032 17604 1263 1 2 . 1 1 152 152 THR CA C 152 67.646 67.646 66.875 0.771 17604 1264 1 2 . 1 1 152 152 THR H H 152 7.982 7.982 7.773 0.209 17604 1265 1 2 . 1 1 153 153 PHE N N 153 120.509 120.509 121.372 -0.863 17604 1266 1 2 . 1 1 153 153 PHE C C 153 177.848 177.848 177.373 0.475 17604 1267 1 2 . 1 1 153 153 PHE H H 153 8.410 8.410 8.266 0.144 17604 1268 1 2 . 1 1 154 154 ARG N N 154 117.947 117.947 119.595 -1.648 17604 1269 1 2 . 1 1 154 154 ARG C C 154 178.389 178.389 178.473 -0.084 17604 1270 1 2 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.918 -0.146 17604 1271 1 2 . 1 1 154 154 ARG H H 154 8.733 8.733 8.436 0.297 17604 1272 1 2 . 1 1 155 155 THR N N 155 105.055 105.055 108.864 -3.809 17604 1273 1 2 . 1 1 155 155 THR HA H 155 4.235 4.235 4.303 -0.068 17604 1274 1 2 . 1 1 155 155 THR C C 155 176.705 176.705 175.764 0.941 17604 1275 1 2 . 1 1 155 155 THR CA C 155 62.225 62.225 62.119 0.106 17604 1276 1 2 . 1 1 155 155 THR H H 155 8.219 8.219 7.912 0.307 17604 1277 1 2 . 1 1 156 156 GLY N N 156 111.712 111.712 112.334 -0.622 17604 1278 1 2 . 1 1 156 156 GLY C C 156 172.901 172.901 174.170 -1.269 17604 1279 1 2 . 1 1 156 156 GLY H H 156 8.500 8.500 8.021 0.479 17604 1280 1 2 . 1 1 157 157 THR N N 157 108.367 108.367 110.555 -2.188 17604 1281 1 2 . 1 1 157 157 THR HA H 157 4.646 4.646 4.368 0.278 17604 1282 1 2 . 1 1 157 157 THR C C 157 174.042 174.042 173.036 1.006 17604 1283 1 2 . 1 1 157 157 THR CA C 157 58.745 58.745 59.378 -0.633 17604 1284 1 2 . 1 1 157 157 THR H H 157 7.568 7.568 7.252 0.316 17604 1285 1 2 . 1 1 158 158 TRP N N 158 117.864 117.864 119.638 -1.774 17604 1286 1 2 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.929 0.095 17604 1287 1 2 . 1 1 158 158 TRP C C 158 178.088 178.088 176.858 1.230 17604 1288 1 2 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.498 -0.360 17604 1289 1 2 . 1 1 158 158 TRP H H 158 8.512 8.512 8.599 -0.087 17604 1290 1 2 . 1 1 159 159 ASP N N 159 119.522 119.522 122.157 -2.635 17604 1291 1 2 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.455 -0.259 17604 1292 1 2 . 1 1 159 159 ASP C C 159 177.430 177.430 178.096 -0.666 17604 1293 1 2 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.608 1.050 17604 1294 1 2 . 1 1 159 159 ASP H H 159 7.972 7.972 7.847 0.125 17604 1295 1 2 . 1 1 160 160 ALA N N 160 119.939 119.939 121.158 -1.219 17604 1296 1 2 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.167 0.006 17604 1297 1 2 . 1 1 160 160 ALA C C 160 177.293 177.293 177.909 -0.616 17604 1298 1 2 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.654 -0.074 17604 1299 1 2 . 1 1 160 160 ALA H H 160 9.143 9.143 8.329 0.814 17604 1300 1 2 . 1 1 161 161 TYR N N 161 113.613 113.613 113.237 0.376 17604 1301 1 2 . 1 1 161 161 TYR C C 161 175.078 175.078 177.450 -2.372 17604 1302 1 2 . 1 1 161 161 TYR H H 161 8.071 8.071 8.009 0.062 17604 1303 1 2 . 1 1 162 162 LYS N N 162 119.559 119.559 120.356 -0.797 17604 1304 1 2 . 1 1 162 162 LYS C C 162 176.124 176.124 177.877 -1.753 17604 1305 1 2 . 1 1 162 162 LYS H H 162 7.266 7.266 7.662 -0.396 17604 1306 1 2 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 1307 1 2 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.680 -0.153 17604 1308 1 2 . 1 1 163 163 ASN C C 163 173.671 173.671 175.323 -1.652 17604 1309 1 2 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.504 0.537 17604 1310 1 2 . 1 1 163 163 ASN H H 163 8.629 8.629 8.404 0.225 17604 1311 1 3 . 1 1 2 2 ASN N N 2 115.717 115.717 119.799 -4.082 17604 1312 1 3 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.582 -0.071 17604 1313 1 3 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.058 0.367 17604 1314 1 3 . 1 1 2 2 ASN H H 2 6.884 6.884 7.732 -0.848 17604 1315 1 3 . 1 1 3 3 ILE N N 3 116.556 116.556 119.969 -3.413 17604 1316 1 3 . 1 1 3 3 ILE C C 3 174.025 174.025 176.449 -2.424 17604 1317 1 3 . 1 1 3 3 ILE H H 3 8.891 8.891 8.505 0.386 17604 1318 1 3 . 1 1 4 4 PHE N N 4 121.687 121.687 118.805 2.882 17604 1319 1 3 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.206 -0.128 17604 1320 1 3 . 1 1 4 4 PHE C C 4 177.177 177.177 178.085 -0.908 17604 1321 1 3 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.302 -1.703 17604 1322 1 3 . 1 1 4 4 PHE H H 4 7.295 7.295 8.039 -0.744 17604 1323 1 3 . 1 1 5 5 GLU N N 5 118.203 118.203 119.570 -1.367 17604 1324 1 3 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.913 -0.072 17604 1325 1 3 . 1 1 5 5 GLU C C 5 178.279 178.279 179.054 -0.775 17604 1326 1 3 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.174 -0.398 17604 1327 1 3 . 1 1 5 5 GLU H H 5 7.886 7.886 8.605 -0.719 17604 1328 1 3 . 1 1 6 6 MET N N 6 118.175 118.175 120.926 -2.751 17604 1329 1 3 . 1 1 6 6 MET HA H 6 3.243 3.243 3.803 -0.560 17604 1330 1 3 . 1 1 6 6 MET C C 6 177.116 177.116 178.048 -0.932 17604 1331 1 3 . 1 1 6 6 MET CA C 6 58.652 58.652 59.257 -0.605 17604 1332 1 3 . 1 1 7 7 LEU N N 7 116.108 116.108 118.326 -2.218 17604 1333 1 3 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.926 0.028 17604 1334 1 3 . 1 1 7 7 LEU C C 7 178.529 178.529 178.722 -0.193 17604 1335 1 3 . 1 1 7 7 LEU H H 7 8.029 8.029 8.246 -0.217 17604 1336 1 3 . 1 1 8 8 ARG N N 8 120.650 120.650 120.119 0.531 17604 1337 1 3 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.844 -0.281 17604 1338 1 3 . 1 1 8 8 ARG C C 8 180.117 180.117 178.764 1.353 17604 1339 1 3 . 1 1 8 8 ARG H H 8 8.121 8.121 8.134 -0.013 17604 1340 1 3 . 1 1 9 9 ILE N N 9 120.885 120.885 118.634 2.251 17604 1341 1 3 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.775 -0.288 17604 1342 1 3 . 1 1 9 9 ILE C C 9 177.395 177.395 177.338 0.057 17604 1343 1 3 . 1 1 9 9 ILE H H 9 7.619 7.619 7.969 -0.350 17604 1344 1 3 . 1 1 10 10 ASP N N 10 117.684 117.684 117.813 -0.129 17604 1345 1 3 . 1 1 10 10 ASP C C 10 177.857 177.857 178.293 -0.436 17604 1346 1 3 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.984 1.278 17604 1347 1 3 . 1 1 10 10 ASP H H 10 8.012 8.012 7.984 0.028 17604 1348 1 3 . 1 1 11 11 GLU N N 11 115.103 115.103 115.909 -0.806 17604 1349 1 3 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.561 -0.013 17604 1350 1 3 . 1 1 11 11 GLU C C 11 178.204 178.204 177.493 0.711 17604 1351 1 3 . 1 1 11 11 GLU CA C 11 55.407 55.407 56.133 -0.725 17604 1352 1 3 . 1 1 11 11 GLU H H 11 8.837 8.837 8.294 0.543 17604 1353 1 3 . 1 1 12 12 GLY N N 12 109.255 109.255 108.604 0.651 17604 1354 1 3 . 1 1 12 12 GLY C C 12 170.041 170.041 171.889 -1.848 17604 1355 1 3 . 1 1 13 13 LEU N N 13 117.280 117.280 121.452 -4.172 17604 1356 1 3 . 1 1 13 13 LEU C C 13 175.609 175.609 175.118 0.491 17604 1357 1 3 . 1 1 13 13 LEU H H 13 7.770 7.770 8.212 -0.442 17604 1358 1 3 . 1 1 14 14 ARG N N 14 126.444 126.444 125.086 1.358 17604 1359 1 3 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.657 0.008 17604 1360 1 3 . 1 1 14 14 ARG C C 14 175.900 175.900 175.908 -0.008 17604 1361 1 3 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.887 -0.796 17604 1362 1 3 . 1 1 14 14 ARG H H 14 8.272 8.272 8.227 0.045 17604 1363 1 3 . 1 1 15 15 LEU N N 15 122.951 122.951 121.329 1.622 17604 1364 1 3 . 1 1 15 15 LEU C C 15 173.723 173.723 176.047 -2.324 17604 1365 1 3 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 1366 1 3 . 1 1 16 16 LYS N N 16 114.983 114.983 119.354 -4.371 17604 1367 1 3 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.260 0.161 17604 1368 1 3 . 1 1 16 16 LYS C C 16 176.104 176.104 176.753 -0.649 17604 1369 1 3 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.202 -0.614 17604 1370 1 3 . 1 1 16 16 LYS H H 16 7.124 7.124 7.319 -0.195 17604 1371 1 3 . 1 1 17 17 ILE N N 17 120.664 120.664 126.321 -5.657 17604 1372 1 3 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.289 -0.156 17604 1373 1 3 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 1374 1 3 . 1 1 17 17 ILE H H 17 7.556 7.556 8.258 -0.702 17604 1375 1 3 . 1 1 18 18 TYR N N 18 127.713 127.713 125.978 1.735 17604 1376 1 3 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.116 -0.002 17604 1377 1 3 . 1 1 18 18 TYR C C 18 172.709 172.709 173.526 -0.817 17604 1378 1 3 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.294 -0.006 17604 1379 1 3 . 1 1 18 18 TYR H H 18 9.391 9.391 9.089 0.302 17604 1380 1 3 . 1 1 19 19 LYS N N 19 122.584 122.584 120.916 1.668 17604 1381 1 3 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.553 0.010 17604 1382 1 3 . 1 1 19 19 LYS C C 19 176.060 176.060 176.225 -0.165 17604 1383 1 3 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.007 0.018 17604 1384 1 3 . 1 1 19 19 LYS H H 19 8.342 8.342 8.415 -0.073 17604 1385 1 3 . 1 1 20 20 ASP N N 20 124.864 124.864 124.467 0.397 17604 1386 1 3 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.754 -0.183 17604 1387 1 3 . 1 1 20 20 ASP C C 20 178.088 178.088 178.329 -0.241 17604 1388 1 3 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.183 -0.463 17604 1389 1 3 . 1 1 20 20 ASP H H 20 8.509 8.509 8.838 -0.329 17604 1390 1 3 . 1 1 21 21 THR N N 21 110.253 110.253 109.450 0.803 17604 1391 1 3 . 1 1 21 21 THR HA H 21 3.978 3.978 4.073 -0.095 17604 1392 1 3 . 1 1 21 21 THR C C 21 175.847 175.847 175.759 0.088 17604 1393 1 3 . 1 1 21 21 THR CA C 21 65.115 65.115 64.881 0.234 17604 1394 1 3 . 1 1 21 21 THR H H 21 7.975 7.975 8.592 -0.617 17604 1395 1 3 . 1 1 22 22 GLU N N 22 120.058 120.058 119.943 0.115 17604 1396 1 3 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.275 -0.115 17604 1397 1 3 . 1 1 22 22 GLU C C 22 175.511 175.511 176.306 -0.795 17604 1398 1 3 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.849 0.123 17604 1399 1 3 . 1 1 23 23 GLY N N 23 106.801 106.801 106.749 0.052 17604 1400 1 3 . 1 1 23 23 GLY C C 23 173.498 173.498 174.057 -0.559 17604 1401 1 3 . 1 1 23 23 GLY H H 23 7.831 7.831 7.815 0.016 17604 1402 1 3 . 1 1 24 24 TYR N N 24 120.577 120.577 119.514 1.063 17604 1403 1 3 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.511 0.438 17604 1404 1 3 . 1 1 24 24 TYR C C 24 177.646 177.646 175.783 1.863 17604 1405 1 3 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.444 -1.739 17604 1406 1 3 . 1 1 24 24 TYR H H 24 8.190 8.190 8.081 0.109 17604 1407 1 3 . 1 1 25 25 TYR N N 25 122.599 122.599 123.191 -0.592 17604 1408 1 3 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.887 0.006 17604 1409 1 3 . 1 1 25 25 TYR C C 25 175.225 175.225 176.191 -0.966 17604 1410 1 3 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.009 -0.178 17604 1411 1 3 . 1 1 25 25 TYR H H 25 8.730 8.730 8.880 -0.150 17604 1412 1 3 . 1 1 26 26 THR N N 26 120.566 120.566 118.045 2.521 17604 1413 1 3 . 1 1 26 26 THR C C 26 170.704 170.704 172.596 -1.892 17604 1414 1 3 . 1 1 26 26 THR CA C 26 60.848 60.848 61.274 -0.426 17604 1415 1 3 . 1 1 26 26 THR H H 26 9.394 9.394 9.061 0.333 17604 1416 1 3 . 1 1 27 27 ILE N N 27 120.480 120.480 120.680 -0.200 17604 1417 1 3 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.514 0.121 17604 1418 1 3 . 1 1 27 27 ILE C C 27 172.588 172.588 174.633 -2.045 17604 1419 1 3 . 1 1 27 27 ILE H H 27 8.842 8.842 8.511 0.331 17604 1420 1 3 . 1 1 28 28 GLY N N 28 112.034 112.034 112.809 -0.775 17604 1421 1 3 . 1 1 28 28 GLY C C 28 174.725 174.725 174.199 0.526 17604 1422 1 3 . 1 1 28 28 GLY H H 28 8.585 8.585 8.802 -0.217 17604 1423 1 3 . 1 1 29 29 ILE N N 29 134.307 134.307 125.119 9.188 17604 1424 1 3 . 1 1 29 29 ILE C C 29 176.641 176.641 176.624 0.017 17604 1425 1 3 . 1 1 29 29 ILE H H 29 10.269 10.269 8.651 1.618 17604 1426 1 3 . 1 1 30 30 GLY N N 30 107.697 107.697 112.502 -4.805 17604 1427 1 3 . 1 1 30 30 GLY C C 30 173.103 173.103 174.280 -1.177 17604 1428 1 3 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.093 0.554 17604 1429 1 3 . 1 1 30 30 GLY H H 30 8.159 8.159 8.400 -0.241 17604 1430 1 3 . 1 1 31 31 HIS N N 31 115.580 115.580 120.144 -4.564 17604 1431 1 3 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.633 -0.289 17604 1432 1 3 . 1 1 31 31 HIS C C 31 173.242 173.242 174.563 -1.321 17604 1433 1 3 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.765 1.892 17604 1434 1 3 . 1 1 31 31 HIS H H 31 8.274 8.274 8.414 -0.140 17604 1435 1 3 . 1 1 32 32 LEU N N 32 131.965 131.965 128.623 3.342 17604 1436 1 3 . 1 1 32 32 LEU C C 32 176.441 176.441 175.618 0.823 17604 1437 1 3 . 1 1 32 32 LEU H H 32 7.916 7.916 8.241 -0.325 17604 1438 1 3 . 1 1 33 33 LEU N N 33 125.891 125.891 126.266 -0.375 17604 1439 1 3 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.350 0.147 17604 1440 1 3 . 1 1 33 33 LEU C C 33 176.188 176.188 177.115 -0.927 17604 1441 1 3 . 1 1 33 33 LEU H H 33 9.078 9.078 8.761 0.317 17604 1442 1 3 . 1 1 34 34 THR N N 34 109.694 109.694 108.997 0.697 17604 1443 1 3 . 1 1 34 34 THR HA H 34 4.465 4.465 4.386 0.079 17604 1444 1 3 . 1 1 34 34 THR C C 34 171.627 171.627 172.293 -0.666 17604 1445 1 3 . 1 1 34 34 THR CA C 34 60.050 60.050 61.358 -1.308 17604 1446 1 3 . 1 1 34 34 THR H H 34 7.266 7.266 7.370 -0.104 17604 1447 1 3 . 1 1 35 35 LYS N N 35 124.851 124.851 122.534 2.317 17604 1448 1 3 . 1 1 35 35 LYS C C 35 176.730 176.730 176.746 -0.016 17604 1449 1 3 . 1 1 35 35 LYS H H 35 8.583 8.583 8.279 0.304 17604 1450 1 3 . 1 1 36 36 SER N N 36 119.457 119.457 117.685 1.772 17604 1451 1 3 . 1 1 36 36 SER H H 36 8.748 8.748 7.794 0.954 17604 1452 1 3 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.578 0.307 17604 1453 1 3 . 1 1 37 37 PRO C C 37 177.051 177.051 176.817 0.234 17604 1454 1 3 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.439 -0.210 17604 1455 1 3 . 1 1 38 38 SER N N 38 116.302 116.302 116.133 0.169 17604 1456 1 3 . 1 1 38 38 SER HA H 38 4.730 4.730 4.572 0.158 17604 1457 1 3 . 1 1 38 38 SER C C 38 174.400 174.400 175.300 -0.900 17604 1458 1 3 . 1 1 38 38 SER CA C 38 56.315 56.315 56.685 -0.370 17604 1459 1 3 . 1 1 38 38 SER H H 38 8.230 8.230 7.768 0.462 17604 1460 1 3 . 1 1 39 39 LEU N N 39 133.066 133.066 130.486 2.580 17604 1461 1 3 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.350 0.094 17604 1462 1 3 . 1 1 39 39 LEU C C 39 178.462 178.462 177.571 0.891 17604 1463 1 3 . 1 1 39 39 LEU H H 39 8.961 8.961 8.793 0.168 17604 1464 1 3 . 1 1 40 40 ASN N N 40 116.781 116.781 117.511 -0.730 17604 1465 1 3 . 1 1 40 40 ASN C C 40 178.279 178.279 177.432 0.847 17604 1466 1 3 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 1467 1 3 . 1 1 41 41 ALA N N 41 123.917 123.917 122.974 0.943 17604 1468 1 3 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.996 0.217 17604 1469 1 3 . 1 1 41 41 ALA C C 41 179.882 179.882 178.891 0.991 17604 1470 1 3 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.926 -0.213 17604 1471 1 3 . 1 1 41 41 ALA H H 41 7.746 7.746 7.585 0.161 17604 1472 1 3 . 1 1 42 42 ALA N N 42 120.972 120.972 121.296 -0.324 17604 1473 1 3 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.872 -0.131 17604 1474 1 3 . 1 1 42 42 ALA C C 42 178.822 178.822 179.451 -0.629 17604 1475 1 3 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.102 0.331 17604 1476 1 3 . 1 1 42 42 ALA H H 42 7.593 7.593 7.856 -0.263 17604 1477 1 3 . 1 1 43 43 LYS N N 43 117.113 117.113 118.138 -1.025 17604 1478 1 3 . 1 1 43 43 LYS C C 43 177.715 177.715 178.919 -1.204 17604 1479 1 3 . 1 1 43 43 LYS H H 43 8.400 8.400 8.250 0.150 17604 1480 1 3 . 1 1 44 44 SER N N 44 113.825 113.825 115.251 -1.426 17604 1481 1 3 . 1 1 44 44 SER C C 44 177.955 177.955 176.606 1.349 17604 1482 1 3 . 1 1 44 44 SER CA C 44 61.708 61.708 61.396 0.312 17604 1483 1 3 . 1 1 44 44 SER H H 44 7.927 7.927 8.145 -0.218 17604 1484 1 3 . 1 1 45 45 GLU N N 45 120.104 120.104 121.230 -1.126 17604 1485 1 3 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.042 0.079 17604 1486 1 3 . 1 1 45 45 GLU C C 45 179.367 179.367 179.148 0.219 17604 1487 1 3 . 1 1 45 45 GLU CA C 45 58.516 58.516 59.002 -0.486 17604 1488 1 3 . 1 1 46 46 LEU N N 46 122.714 122.714 122.336 0.378 17604 1489 1 3 . 1 1 46 46 LEU C C 46 177.304 177.304 178.299 -0.995 17604 1490 1 3 . 1 1 46 46 LEU H H 46 8.304 8.304 8.317 -0.013 17604 1491 1 3 . 1 1 47 47 ASP N N 47 120.220 120.220 119.859 0.361 17604 1492 1 3 . 1 1 47 47 ASP C C 47 181.023 181.023 179.114 1.909 17604 1493 1 3 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.418 -0.152 17604 1494 1 3 . 1 1 47 47 ASP H H 47 8.651 8.651 8.424 0.227 17604 1495 1 3 . 1 1 48 48 LYS N N 48 120.884 120.884 120.024 0.860 17604 1496 1 3 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.061 -0.051 17604 1497 1 3 . 1 1 48 48 LYS C C 48 178.238 178.238 178.298 -0.060 17604 1498 1 3 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.871 0.239 17604 1499 1 3 . 1 1 48 48 LYS H H 48 7.794 7.794 7.930 -0.136 17604 1500 1 3 . 1 1 49 49 ALA N N 49 121.076 121.076 121.960 -0.884 17604 1501 1 3 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.210 -0.044 17604 1502 1 3 . 1 1 49 49 ALA C C 49 179.471 179.471 179.195 0.276 17604 1503 1 3 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.546 -0.179 17604 1504 1 3 . 1 1 49 49 ALA H H 49 7.926 7.926 7.967 -0.041 17604 1505 1 3 . 1 1 50 50 ILE N N 50 114.845 114.845 115.945 -1.100 17604 1506 1 3 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.050 0.027 17604 1507 1 3 . 1 1 50 50 ILE C C 50 177.256 177.256 177.209 0.047 17604 1508 1 3 . 1 1 50 50 ILE H H 50 8.379 8.379 7.712 0.667 17604 1509 1 3 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.584 17604 1510 1 3 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 1511 1 3 . 1 1 51 51 GLY H H 51 8.380 8.380 8.379 0.001 17604 1512 1 3 . 1 1 52 52 ARG N N 52 115.489 115.489 116.547 -1.058 17604 1513 1 3 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 1514 1 3 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 1515 1 3 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 1516 1 3 . 1 1 53 53 ASN N N 53 115.422 115.422 120.464 -5.042 17604 1517 1 3 . 1 1 53 53 ASN C C 53 175.434 175.434 174.997 0.437 17604 1518 1 3 . 1 1 53 53 ASN H H 53 8.275 8.275 8.687 -0.412 17604 1519 1 3 . 1 1 54 54 THR N N 54 119.611 119.611 118.083 1.528 17604 1520 1 3 . 1 1 54 54 THR HA H 54 4.303 4.303 4.502 -0.199 17604 1521 1 3 . 1 1 54 54 THR C C 54 177.316 177.316 174.702 2.614 17604 1522 1 3 . 1 1 54 54 THR CA C 54 63.742 63.742 60.886 2.856 17604 1523 1 3 . 1 1 54 54 THR H H 54 9.079 9.079 8.766 0.313 17604 1524 1 3 . 1 1 55 55 ASN N N 55 120.102 120.102 118.370 1.732 17604 1525 1 3 . 1 1 55 55 ASN C C 55 175.771 175.771 175.648 0.123 17604 1526 1 3 . 1 1 55 55 ASN H H 55 9.477 9.477 8.344 1.133 17604 1527 1 3 . 1 1 56 56 GLY N N 56 102.932 102.932 108.268 -5.336 17604 1528 1 3 . 1 1 56 56 GLY C C 56 172.123 172.123 172.903 -0.780 17604 1529 1 3 . 1 1 56 56 GLY H H 56 8.688 8.688 7.813 0.875 17604 1530 1 3 . 1 1 57 57 VAL N N 57 120.312 120.312 118.572 1.740 17604 1531 1 3 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.294 -0.174 17604 1532 1 3 . 1 1 57 57 VAL C C 57 174.887 174.887 174.891 -0.004 17604 1533 1 3 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.689 0.976 17604 1534 1 3 . 1 1 57 57 VAL H H 57 7.473 7.473 7.424 0.049 17604 1535 1 3 . 1 1 58 58 ILE N N 58 116.909 116.909 121.371 -4.462 17604 1536 1 3 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.097 -0.222 17604 1537 1 3 . 1 1 58 58 ILE C C 58 175.410 175.410 175.223 0.187 17604 1538 1 3 . 1 1 58 58 ILE H H 58 8.545 8.545 9.079 -0.534 17604 1539 1 3 . 1 1 59 59 THR N N 59 109.210 109.210 112.606 -3.396 17604 1540 1 3 . 1 1 59 59 THR HA H 59 4.619 4.619 4.662 -0.043 17604 1541 1 3 . 1 1 59 59 THR C C 59 176.379 176.379 174.814 1.565 17604 1542 1 3 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 1543 1 3 . 1 1 59 59 THR H H 59 8.694 8.694 9.061 -0.367 17604 1544 1 3 . 1 1 60 60 LYS N N 60 121.466 121.466 121.686 -0.220 17604 1545 1 3 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.959 -0.094 17604 1546 1 3 . 1 1 60 60 LYS C C 60 178.086 178.086 178.336 -0.250 17604 1547 1 3 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.458 0.399 17604 1548 1 3 . 1 1 60 60 LYS H H 60 9.147 9.147 8.819 0.328 17604 1549 1 3 . 1 1 61 61 ASP N N 61 117.243 117.243 118.390 -1.147 17604 1550 1 3 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.411 -0.061 17604 1551 1 3 . 1 1 61 61 ASP C C 61 179.628 179.628 179.038 0.590 17604 1552 1 3 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.529 -0.335 17604 1553 1 3 . 1 1 61 61 ASP H H 61 8.252 8.252 8.543 -0.291 17604 1554 1 3 . 1 1 62 62 GLU N N 62 121.473 121.473 120.196 1.277 17604 1555 1 3 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.070 -0.187 17604 1556 1 3 . 1 1 62 62 GLU C C 62 178.781 178.781 178.826 -0.045 17604 1557 1 3 . 1 1 62 62 GLU H H 62 7.713 7.713 7.872 -0.159 17604 1558 1 3 . 1 1 63 63 ALA N N 63 121.213 121.213 122.800 -1.587 17604 1559 1 3 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.964 -0.070 17604 1560 1 3 . 1 1 63 63 ALA C C 63 180.801 180.801 179.768 1.033 17604 1561 1 3 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.695 -0.591 17604 1562 1 3 . 1 1 63 63 ALA H H 63 8.564 8.564 8.402 0.162 17604 1563 1 3 . 1 1 64 64 GLU N N 64 119.853 119.853 118.221 1.632 17604 1564 1 3 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 1565 1 3 . 1 1 64 64 GLU C C 64 177.889 177.889 178.922 -1.033 17604 1566 1 3 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.420 0.872 17604 1567 1 3 . 1 1 64 64 GLU H H 64 8.423 8.423 8.392 0.031 17604 1568 1 3 . 1 1 65 65 LYS N N 65 122.118 122.118 121.370 0.748 17604 1569 1 3 . 1 1 65 65 LYS C C 65 179.896 179.896 179.002 0.894 17604 1570 1 3 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.641 0.048 17604 1571 1 3 . 1 1 65 65 LYS H H 65 7.893 7.893 8.008 -0.115 17604 1572 1 3 . 1 1 66 66 LEU N N 66 118.262 118.262 119.323 -1.061 17604 1573 1 3 . 1 1 66 66 LEU C C 66 177.988 177.988 179.100 -1.112 17604 1574 1 3 . 1 1 66 66 LEU H H 66 7.705 7.705 8.107 -0.402 17604 1575 1 3 . 1 1 67 67 PHE N N 67 118.838 118.838 120.246 -1.408 17604 1576 1 3 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.267 1.001 17604 1577 1 3 . 1 1 67 67 PHE C C 67 177.256 177.256 177.547 -0.291 17604 1578 1 3 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.777 -1.088 17604 1579 1 3 . 1 1 67 67 PHE H H 67 8.060 8.060 8.467 -0.407 17604 1580 1 3 . 1 1 68 68 ASN N N 68 117.691 117.691 117.398 0.293 17604 1581 1 3 . 1 1 68 68 ASN C C 68 178.790 178.790 177.565 1.225 17604 1582 1 3 . 1 1 68 68 ASN H H 68 8.473 8.473 8.563 -0.090 17604 1583 1 3 . 1 1 69 69 GLN N N 69 118.450 118.450 119.165 -0.715 17604 1584 1 3 . 1 1 69 69 GLN C C 69 178.971 178.971 178.430 0.541 17604 1585 1 3 . 1 1 69 69 GLN H H 69 7.788 7.788 8.079 -0.291 17604 1586 1 3 . 1 1 70 70 ASP N N 70 123.108 123.108 120.927 2.181 17604 1587 1 3 . 1 1 70 70 ASP C C 70 179.925 179.925 178.960 0.965 17604 1588 1 3 . 1 1 70 70 ASP H H 70 8.857 8.857 8.452 0.405 17604 1589 1 3 . 1 1 71 71 VAL N N 71 125.622 125.622 120.712 4.910 17604 1590 1 3 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.434 0.157 17604 1591 1 3 . 1 1 71 71 VAL C C 71 177.173 177.173 177.551 -0.378 17604 1592 1 3 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.715 1.675 17604 1593 1 3 . 1 1 71 71 VAL H H 71 9.017 9.017 8.327 0.690 17604 1594 1 3 . 1 1 72 72 ASP N N 72 118.829 118.829 119.969 -1.140 17604 1595 1 3 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.237 0.116 17604 1596 1 3 . 1 1 72 72 ASP C C 72 178.629 178.629 178.176 0.453 17604 1597 1 3 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.292 0.333 17604 1598 1 3 . 1 1 72 72 ASP H H 72 7.605 7.605 8.131 -0.526 17604 1599 1 3 . 1 1 73 73 ALA N N 73 119.829 119.829 121.702 -1.873 17604 1600 1 3 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.026 0.002 17604 1601 1 3 . 1 1 73 73 ALA C C 73 180.382 180.382 179.549 0.833 17604 1602 1 3 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.045 0.094 17604 1603 1 3 . 1 1 73 73 ALA H H 73 8.344 8.344 8.241 0.103 17604 1604 1 3 . 1 1 74 74 ALA N N 74 123.039 123.039 121.852 1.187 17604 1605 1 3 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.973 0.194 17604 1606 1 3 . 1 1 74 74 ALA C C 74 179.701 179.701 179.521 0.180 17604 1607 1 3 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.849 -0.178 17604 1608 1 3 . 1 1 74 74 ALA H H 74 7.877 7.877 7.699 0.178 17604 1609 1 3 . 1 1 75 75 VAL H H 75 8.180 8.180 7.874 0.306 17604 1610 1 3 . 1 1 76 76 ARG N N 76 117.752 117.752 119.913 -2.161 17604 1611 1 3 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.903 -0.088 17604 1612 1 3 . 1 1 76 76 ARG C C 76 178.843 178.843 178.665 0.178 17604 1613 1 3 . 1 1 76 76 ARG H H 76 8.416 8.416 8.626 -0.210 17604 1614 1 3 . 1 1 77 77 GLY N N 77 105.782 105.782 106.956 -1.174 17604 1615 1 3 . 1 1 77 77 GLY C C 77 176.137 176.137 176.048 0.089 17604 1616 1 3 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.795 -0.738 17604 1617 1 3 . 1 1 77 77 GLY H H 77 8.010 8.010 8.111 -0.101 17604 1618 1 3 . 1 1 78 78 ILE N N 78 121.765 121.765 122.048 -0.283 17604 1619 1 3 . 1 1 78 78 ILE C C 78 177.166 177.166 178.269 -1.103 17604 1620 1 3 . 1 1 78 78 ILE H H 78 7.502 7.502 7.741 -0.239 17604 1621 1 3 . 1 1 79 79 LEU N N 79 115.166 115.166 117.794 -2.628 17604 1622 1 3 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.017 -0.190 17604 1623 1 3 . 1 1 79 79 LEU C C 79 178.804 178.804 178.111 0.693 17604 1624 1 3 . 1 1 79 79 LEU H H 79 7.903 7.903 8.033 -0.130 17604 1625 1 3 . 1 1 80 80 ARG N N 80 114.734 114.734 114.607 0.127 17604 1626 1 3 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.313 0.014 17604 1627 1 3 . 1 1 80 80 ARG C C 80 175.118 175.118 175.791 -0.673 17604 1628 1 3 . 1 1 80 80 ARG H H 80 7.707 7.707 7.643 0.064 17604 1629 1 3 . 1 1 81 81 ASN N N 81 120.809 120.809 118.734 2.075 17604 1630 1 3 . 1 1 81 81 ASN C C 81 174.581 174.581 175.219 -0.638 17604 1631 1 3 . 1 1 81 81 ASN H H 81 7.498 7.498 7.507 -0.009 17604 1632 1 3 . 1 1 82 82 ALA N N 82 127.902 127.902 129.608 -1.706 17604 1633 1 3 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.170 -0.091 17604 1634 1 3 . 1 1 82 82 ALA C C 82 178.943 178.943 178.568 0.375 17604 1635 1 3 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.560 0.287 17604 1636 1 3 . 1 1 82 82 ALA H H 82 8.849 8.849 8.973 -0.124 17604 1637 1 3 . 1 1 83 83 LYS N N 83 114.166 114.166 117.392 -3.226 17604 1638 1 3 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.238 0.051 17604 1639 1 3 . 1 1 83 83 LYS C C 83 177.907 177.907 178.642 -0.735 17604 1640 1 3 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.553 -1.213 17604 1641 1 3 . 1 1 83 83 LYS H H 83 8.060 8.060 8.214 -0.154 17604 1642 1 3 . 1 1 84 84 LEU N N 84 116.412 116.412 120.337 -3.925 17604 1643 1 3 . 1 1 84 84 LEU C C 84 178.335 178.335 178.256 0.079 17604 1644 1 3 . 1 1 84 84 LEU H H 84 7.531 7.531 8.469 -0.938 17604 1645 1 3 . 1 1 85 85 LYS N N 85 121.080 121.080 120.626 0.454 17604 1646 1 3 . 1 1 85 85 LYS H H 85 8.462 8.462 8.398 0.064 17604 1647 1 3 . 1 1 86 86 PRO C C 86 179.959 179.959 179.204 0.755 17604 1648 1 3 . 1 1 87 87 VAL N N 87 115.566 115.566 118.670 -3.104 17604 1649 1 3 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.762 -0.018 17604 1650 1 3 . 1 1 87 87 VAL C C 87 178.545 178.545 178.247 0.298 17604 1651 1 3 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.276 -0.772 17604 1652 1 3 . 1 1 87 87 VAL H H 87 6.893 6.893 7.284 -0.391 17604 1653 1 3 . 1 1 88 88 TYR N N 88 122.544 122.544 121.178 1.366 17604 1654 1 3 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.129 -0.230 17604 1655 1 3 . 1 1 88 88 TYR C C 88 177.722 177.722 178.209 -0.487 17604 1656 1 3 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.984 0.877 17604 1657 1 3 . 1 1 88 88 TYR H H 88 8.457 8.457 8.693 -0.236 17604 1658 1 3 . 1 1 89 89 ASP N N 89 117.217 117.217 117.611 -0.394 17604 1659 1 3 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.365 -0.044 17604 1660 1 3 . 1 1 89 89 ASP C C 89 177.849 177.849 178.481 -0.632 17604 1661 1 3 . 1 1 89 89 ASP H H 89 9.103 9.103 8.938 0.165 17604 1662 1 3 . 1 1 90 90 SER N N 90 113.279 113.279 114.119 -0.840 17604 1663 1 3 . 1 1 90 90 SER HA H 90 4.424 4.424 4.346 0.078 17604 1664 1 3 . 1 1 90 90 SER C C 90 174.362 174.362 175.002 -0.640 17604 1665 1 3 . 1 1 90 90 SER CA C 90 59.655 59.655 59.583 0.072 17604 1666 1 3 . 1 1 90 90 SER H H 90 7.365 7.365 7.647 -0.282 17604 1667 1 3 . 1 1 91 91 LEU N N 91 123.395 123.395 123.680 -0.285 17604 1668 1 3 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.504 -0.080 17604 1669 1 3 . 1 1 91 91 LEU C C 91 176.268 176.268 176.707 -0.439 17604 1670 1 3 . 1 1 91 91 LEU H H 91 7.458 7.458 7.361 0.097 17604 1671 1 3 . 1 1 92 92 ASP N N 92 115.456 115.456 121.772 -6.316 17604 1672 1 3 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.475 0.148 17604 1673 1 3 . 1 1 92 92 ASP C C 92 175.560 175.560 176.743 -1.183 17604 1674 1 3 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.962 -1.786 17604 1675 1 3 . 1 1 92 92 ASP H H 92 7.401 7.401 8.437 -1.036 17604 1676 1 3 . 1 1 93 93 ALA N N 93 119.761 119.761 122.084 -2.323 17604 1677 1 3 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.041 -0.244 17604 1678 1 3 . 1 1 93 93 ALA C C 93 179.896 179.896 179.750 0.146 17604 1679 1 3 . 1 1 93 93 ALA H H 93 8.687 8.687 8.537 0.150 17604 1680 1 3 . 1 1 94 94 VAL N N 94 118.785 118.785 118.199 0.586 17604 1681 1 3 . 1 1 94 94 VAL C C 94 177.307 177.307 177.852 -0.545 17604 1682 1 3 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.777 0.168 17604 1683 1 3 . 1 1 94 94 VAL H H 94 7.822 7.822 7.583 0.239 17604 1684 1 3 . 1 1 95 95 ARG N N 95 119.046 119.046 118.654 0.392 17604 1685 1 3 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.651 -0.072 17604 1686 1 3 . 1 1 95 95 ARG C C 95 178.424 178.424 178.726 -0.302 17604 1687 1 3 . 1 1 95 95 ARG H H 95 7.766 7.766 8.102 -0.336 17604 1688 1 3 . 1 1 96 96 ARG N N 96 118.034 118.034 119.572 -1.538 17604 1689 1 3 . 1 1 96 96 ARG C C 96 177.930 177.930 178.400 -0.470 17604 1690 1 3 . 1 1 96 96 ARG H H 96 8.629 8.629 8.391 0.238 17604 1691 1 3 . 1 1 97 97 ALA N N 97 119.949 119.949 121.287 -1.338 17604 1692 1 3 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.009 0.059 17604 1693 1 3 . 1 1 97 97 ALA C C 97 178.702 178.702 178.977 -0.275 17604 1694 1 3 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.018 0.350 17604 1695 1 3 . 1 1 97 97 ALA H H 97 7.028 7.028 7.438 -0.410 17604 1696 1 3 . 1 1 98 98 ALA N N 98 118.852 118.852 120.922 -2.070 17604 1697 1 3 . 1 1 98 98 ALA C C 98 177.525 177.525 179.131 -1.606 17604 1698 1 3 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.478 0.844 17604 1699 1 3 . 1 1 98 98 ALA H H 98 7.200 7.200 7.188 0.012 17604 1700 1 3 . 1 1 99 99 ALA N N 99 119.728 119.728 121.647 -1.919 17604 1701 1 3 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.152 -0.618 17604 1702 1 3 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.129 0.467 17604 1703 1 3 . 1 1 99 99 ALA H H 99 7.795 7.795 7.648 0.147 17604 1704 1 3 . 1 1 100 100 ILE N N 100 116.243 116.243 117.309 -1.066 17604 1705 1 3 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.705 -0.254 17604 1706 1 3 . 1 1 100 100 ILE C C 100 176.994 176.994 177.254 -0.260 17604 1707 1 3 . 1 1 100 100 ILE H H 100 8.093 8.093 8.251 -0.158 17604 1708 1 3 . 1 1 101 101 ASN N N 101 116.433 116.433 116.971 -0.538 17604 1709 1 3 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.599 -0.341 17604 1710 1 3 . 1 1 101 101 ASN C C 101 177.449 177.449 177.687 -0.238 17604 1711 1 3 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.376 1.450 17604 1712 1 3 . 1 1 101 101 ASN H H 101 8.097 8.097 7.597 0.500 17604 1713 1 3 . 1 1 102 102 MET N N 102 113.936 113.936 117.054 -3.118 17604 1714 1 3 . 1 1 102 102 MET HA H 102 3.657 3.657 4.079 -0.422 17604 1715 1 3 . 1 1 102 102 MET CA C 102 61.050 61.050 56.409 4.641 17604 1716 1 3 . 1 1 102 102 MET H H 102 7.719 7.719 7.903 -0.184 17604 1717 1 3 . 1 1 103 103 VAL N N 103 105.507 105.507 109.214 -3.707 17604 1718 1 3 . 1 1 103 103 VAL C C 103 175.510 175.510 175.009 0.501 17604 1719 1 3 . 1 1 103 103 VAL CA C 103 61.665 61.665 59.934 1.731 17604 1720 1 3 . 1 1 103 103 VAL H H 103 7.320 7.320 7.166 0.154 17604 1721 1 3 . 1 1 104 104 PHE N N 104 126.466 126.466 124.083 2.383 17604 1722 1 3 . 1 1 104 104 PHE C C 104 176.939 176.939 174.974 1.965 17604 1723 1 3 . 1 1 104 104 PHE H H 104 7.877 7.877 7.197 0.680 17604 1724 1 3 . 1 1 105 105 GLN N N 105 119.920 119.920 119.229 0.691 17604 1725 1 3 . 1 1 105 105 GLN C C 105 174.943 174.943 174.624 0.319 17604 1726 1 3 . 1 1 105 105 GLN H H 105 8.540 8.540 8.202 0.338 17604 1727 1 3 . 1 1 106 106 MET N N 106 117.242 117.242 119.661 -2.419 17604 1728 1 3 . 1 1 106 106 MET HA H 106 4.146 4.146 4.315 -0.169 17604 1729 1 3 . 1 1 106 106 MET C C 106 177.126 177.126 176.599 0.527 17604 1730 1 3 . 1 1 106 106 MET CA C 106 54.786 54.786 55.206 -0.421 17604 1731 1 3 . 1 1 106 106 MET H H 106 8.869 8.869 7.285 1.584 17604 1732 1 3 . 1 1 107 107 GLY N N 107 107.963 107.963 112.936 -4.973 17604 1733 1 3 . 1 1 107 107 GLY C C 107 174.858 174.858 175.041 -0.183 17604 1734 1 3 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.558 1.540 17604 1735 1 3 . 1 1 107 107 GLY H H 107 7.819 7.819 8.217 -0.398 17604 1736 1 3 . 1 1 108 108 GLU N N 108 122.988 122.988 123.105 -0.117 17604 1737 1 3 . 1 1 108 108 GLU C C 108 179.500 179.500 178.809 0.691 17604 1738 1 3 . 1 1 108 108 GLU H H 108 8.778 8.778 8.811 -0.033 17604 1739 1 3 . 1 1 109 109 THR N N 109 112.024 112.024 114.750 -2.726 17604 1740 1 3 . 1 1 109 109 THR HA H 109 4.193 4.193 4.094 0.099 17604 1741 1 3 . 1 1 109 109 THR C C 109 178.149 178.149 176.862 1.287 17604 1742 1 3 . 1 1 109 109 THR CA C 109 65.018 65.018 67.316 -2.298 17604 1743 1 3 . 1 1 109 109 THR H H 109 8.617 8.617 8.389 0.228 17604 1744 1 3 . 1 1 110 110 GLY N N 110 116.155 116.155 109.654 6.501 17604 1745 1 3 . 1 1 110 110 GLY C C 110 175.727 175.727 175.910 -0.183 17604 1746 1 3 . 1 1 110 110 GLY H H 110 8.631 8.631 8.198 0.433 17604 1747 1 3 . 1 1 111 111 VAL N N 111 120.428 120.428 123.192 -2.764 17604 1748 1 3 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.697 -0.061 17604 1749 1 3 . 1 1 111 111 VAL C C 111 179.055 179.055 178.054 1.001 17604 1750 1 3 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.216 0.911 17604 1751 1 3 . 1 1 111 111 VAL H H 111 8.073 8.073 8.323 -0.250 17604 1752 1 3 . 1 1 112 112 ALA N N 112 124.050 124.050 122.758 1.292 17604 1753 1 3 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.031 0.184 17604 1754 1 3 . 1 1 112 112 ALA C C 112 180.059 180.059 179.357 0.702 17604 1755 1 3 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.327 0.093 17604 1756 1 3 . 1 1 112 112 ALA H H 112 8.297 8.297 8.293 0.004 17604 1757 1 3 . 1 1 113 113 GLY N N 113 105.820 105.820 106.787 -0.967 17604 1758 1 3 . 1 1 113 113 GLY C C 113 175.656 175.656 175.662 -0.006 17604 1759 1 3 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.840 0.178 17604 1760 1 3 . 1 1 113 113 GLY H H 113 8.218 8.218 8.087 0.131 17604 1761 1 3 . 1 1 114 114 PHE N N 114 122.441 122.441 122.146 0.295 17604 1762 1 3 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.248 -0.040 17604 1763 1 3 . 1 1 114 114 PHE C C 114 177.316 177.316 177.988 -0.672 17604 1764 1 3 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.476 -0.602 17604 1765 1 3 . 1 1 114 114 PHE H H 114 8.111 8.111 8.348 -0.237 17604 1766 1 3 . 1 1 115 115 THR N N 115 114.602 114.602 116.799 -2.197 17604 1767 1 3 . 1 1 115 115 THR C C 115 176.611 176.611 176.828 -0.217 17604 1768 1 3 . 1 1 115 115 THR CA C 115 66.636 66.636 67.217 -0.581 17604 1769 1 3 . 1 1 115 115 THR H H 115 8.378 8.378 8.553 -0.175 17604 1770 1 3 . 1 1 116 116 ASN N N 116 119.071 119.071 119.166 -0.095 17604 1771 1 3 . 1 1 116 116 ASN H H 116 8.276 8.276 8.090 0.186 17604 1772 1 3 . 1 1 117 117 SER C C 117 174.833 174.833 174.461 0.372 17604 1773 1 3 . 1 1 118 118 LEU N N 118 121.114 121.114 122.015 -0.901 17604 1774 1 3 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.776 0.396 17604 1775 1 3 . 1 1 118 118 LEU C C 118 177.954 177.954 178.018 -0.064 17604 1776 1 3 . 1 1 118 118 LEU H H 118 7.336 7.336 7.430 -0.094 17604 1777 1 3 . 1 1 119 119 ARG N N 119 117.315 117.315 118.189 -0.874 17604 1778 1 3 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.959 0.091 17604 1779 1 3 . 1 1 119 119 ARG C C 119 178.720 178.720 178.568 0.152 17604 1780 1 3 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.369 -0.748 17604 1781 1 3 . 1 1 119 119 ARG H H 119 8.329 8.329 7.899 0.430 17604 1782 1 3 . 1 1 120 120 MET N N 120 115.507 115.507 117.743 -2.236 17604 1783 1 3 . 1 1 120 120 MET HA H 120 3.969 3.969 4.185 -0.216 17604 1784 1 3 . 1 1 120 120 MET C C 120 178.161 178.161 178.397 -0.236 17604 1785 1 3 . 1 1 120 120 MET CA C 120 59.029 59.029 57.370 1.659 17604 1786 1 3 . 1 1 120 120 MET H H 120 7.408 7.408 7.882 -0.474 17604 1787 1 3 . 1 1 121 121 LEU N N 121 117.639 117.639 119.632 -1.993 17604 1788 1 3 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.956 -0.103 17604 1789 1 3 . 1 1 121 121 LEU C C 121 179.852 179.852 179.767 0.085 17604 1790 1 3 . 1 1 121 121 LEU H H 121 7.681 7.681 7.588 0.093 17604 1791 1 3 . 1 1 122 122 GLN N N 122 120.423 120.423 119.521 0.902 17604 1792 1 3 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.030 -0.085 17604 1793 1 3 . 1 1 122 122 GLN C C 122 176.976 176.976 177.759 -0.783 17604 1794 1 3 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.231 1.159 17604 1795 1 3 . 1 1 122 122 GLN H H 122 8.689 8.689 8.157 0.532 17604 1796 1 3 . 1 1 123 123 GLN N N 123 113.631 113.631 115.623 -1.992 17604 1797 1 3 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.207 -0.135 17604 1798 1 3 . 1 1 123 123 GLN C C 123 174.455 174.455 175.077 -0.622 17604 1799 1 3 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.557 -0.377 17604 1800 1 3 . 1 1 123 123 GLN H H 123 7.251 7.251 7.415 -0.164 17604 1801 1 3 . 1 1 124 124 LYS N N 124 114.745 114.745 114.520 0.225 17604 1802 1 3 . 1 1 124 124 LYS C C 124 174.910 174.910 175.151 -0.241 17604 1803 1 3 . 1 1 124 124 LYS H H 124 7.291 7.291 7.381 -0.090 17604 1804 1 3 . 1 1 125 125 ARG N N 125 119.533 119.533 118.659 0.874 17604 1805 1 3 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 1806 1 3 . 1 1 125 125 ARG C C 125 177.182 177.182 176.348 0.834 17604 1807 1 3 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.540 -0.354 17604 1808 1 3 . 1 1 125 125 ARG H H 125 7.715 7.715 7.875 -0.160 17604 1809 1 3 . 1 1 126 126 TRP N N 126 119.232 119.232 123.540 -4.308 17604 1810 1 3 . 1 1 126 126 TRP C C 126 178.891 178.891 177.708 1.183 17604 1811 1 3 . 1 1 126 126 TRP H H 126 6.888 6.888 7.442 -0.554 17604 1812 1 3 . 1 1 127 127 ASP N N 127 116.481 116.481 117.721 -1.240 17604 1813 1 3 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.410 0.006 17604 1814 1 3 . 1 1 127 127 ASP C C 127 178.854 178.854 178.526 0.328 17604 1815 1 3 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.992 -0.302 17604 1816 1 3 . 1 1 127 127 ASP H H 127 8.548 8.548 8.867 -0.319 17604 1817 1 3 . 1 1 128 128 GLU N N 128 120.565 120.565 120.395 0.170 17604 1818 1 3 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.028 -0.075 17604 1819 1 3 . 1 1 128 128 GLU C C 128 179.945 179.945 178.215 1.730 17604 1820 1 3 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.090 0.466 17604 1821 1 3 . 1 1 128 128 GLU H H 128 8.311 8.311 8.364 -0.053 17604 1822 1 3 . 1 1 129 129 ALA N N 129 122.262 122.262 122.003 0.259 17604 1823 1 3 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.999 0.009 17604 1824 1 3 . 1 1 129 129 ALA C C 129 178.673 178.673 179.695 -1.022 17604 1825 1 3 . 1 1 129 129 ALA H H 129 8.630 8.630 8.545 0.085 17604 1826 1 3 . 1 1 130 130 ALA N N 130 119.515 119.515 121.234 -1.719 17604 1827 1 3 . 1 1 130 130 ALA C C 130 179.789 179.789 179.665 0.124 17604 1828 1 3 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.174 0.517 17604 1829 1 3 . 1 1 130 130 ALA H H 130 8.263 8.263 8.071 0.192 17604 1830 1 3 . 1 1 131 131 VAL N N 131 117.584 117.584 118.456 -0.872 17604 1831 1 3 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.440 0.139 17604 1832 1 3 . 1 1 131 131 VAL C C 131 178.341 178.341 178.258 0.083 17604 1833 1 3 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.587 -0.465 17604 1834 1 3 . 1 1 131 131 VAL H H 131 7.883 7.883 8.179 -0.296 17604 1835 1 3 . 1 1 132 132 ASN N N 132 118.267 118.267 117.844 0.423 17604 1836 1 3 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.498 -0.170 17604 1837 1 3 . 1 1 132 132 ASN C C 132 178.969 178.969 178.573 0.396 17604 1838 1 3 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.710 1.115 17604 1839 1 3 . 1 1 133 133 LEU N N 133 121.157 121.157 121.034 0.123 17604 1840 1 3 . 1 1 133 133 LEU C C 133 179.658 179.658 178.846 0.812 17604 1841 1 3 . 1 1 133 133 LEU H H 133 8.868 8.868 8.483 0.385 17604 1842 1 3 . 1 1 134 134 ALA N N 134 121.551 121.551 118.729 2.822 17604 1843 1 3 . 1 1 134 134 ALA C C 134 177.027 177.027 177.615 -0.588 17604 1844 1 3 . 1 1 134 134 ALA H H 134 7.720 7.720 7.420 0.300 17604 1845 1 3 . 1 1 135 135 LYS N N 135 115.144 115.144 117.568 -2.424 17604 1846 1 3 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.312 0.095 17604 1847 1 3 . 1 1 135 135 LYS C C 135 176.809 176.809 176.647 0.162 17604 1848 1 3 . 1 1 135 135 LYS CA C 135 55.912 55.912 55.884 0.028 17604 1849 1 3 . 1 1 135 135 LYS H H 135 7.276 7.276 7.459 -0.183 17604 1850 1 3 . 1 1 136 136 SER N N 136 115.694 115.694 115.570 0.124 17604 1851 1 3 . 1 1 136 136 SER HA H 136 4.427 4.427 4.598 -0.171 17604 1852 1 3 . 1 1 136 136 SER C C 136 174.351 174.351 175.821 -1.470 17604 1853 1 3 . 1 1 136 136 SER CA C 136 58.922 58.922 57.279 1.643 17604 1854 1 3 . 1 1 136 136 SER H H 136 7.550 7.550 7.834 -0.284 17604 1855 1 3 . 1 1 137 137 ARG N N 137 122.410 122.410 123.962 -1.552 17604 1856 1 3 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.124 0.124 17604 1857 1 3 . 1 1 137 137 ARG C C 137 178.462 178.462 177.630 0.832 17604 1858 1 3 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.667 -1.100 17604 1859 1 3 . 1 1 137 137 ARG H H 137 8.694 8.694 9.010 -0.316 17604 1860 1 3 . 1 1 138 138 TRP N N 138 119.884 119.884 119.780 0.104 17604 1861 1 3 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.406 -0.224 17604 1862 1 3 . 1 1 138 138 TRP C C 138 175.710 175.710 177.398 -1.688 17604 1863 1 3 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.798 2.302 17604 1864 1 3 . 1 1 138 138 TRP H H 138 8.476 8.476 8.160 0.316 17604 1865 1 3 . 1 1 139 139 TYR N N 139 118.715 118.715 118.831 -0.116 17604 1866 1 3 . 1 1 139 139 TYR HA H 139 3.000 3.000 4.038 -1.038 17604 1867 1 3 . 1 1 139 139 TYR C C 139 175.701 175.701 176.729 -1.028 17604 1868 1 3 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.109 -0.914 17604 1869 1 3 . 1 1 139 139 TYR H H 139 7.851 7.851 7.567 0.284 17604 1870 1 3 . 1 1 140 140 ASN N N 140 111.811 111.811 116.670 -4.859 17604 1871 1 3 . 1 1 140 140 ASN C C 140 176.521 176.521 176.670 -0.149 17604 1872 1 3 . 1 1 141 141 GLN N N 141 117.421 117.421 117.623 -0.202 17604 1873 1 3 . 1 1 141 141 GLN C C 141 176.598 176.598 176.654 -0.056 17604 1874 1 3 . 1 1 141 141 GLN H H 141 7.779 7.779 7.819 -0.040 17604 1875 1 3 . 1 1 142 142 THR N N 142 111.422 111.422 110.706 0.716 17604 1876 1 3 . 1 1 142 142 THR H H 142 7.046 7.046 7.732 -0.686 17604 1877 1 3 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.531 0.413 17604 1878 1 3 . 1 1 143 143 PRO C C 143 178.463 178.463 177.874 0.589 17604 1879 1 3 . 1 1 144 144 ASN N N 144 116.489 116.489 118.519 -2.030 17604 1880 1 3 . 1 1 144 144 ASN C C 144 177.480 177.480 177.590 -0.110 17604 1881 1 3 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.228 -0.124 17604 1882 1 3 . 1 1 144 144 ASN H H 144 8.194 8.194 8.538 -0.344 17604 1883 1 3 . 1 1 145 145 ARG N N 145 121.900 121.900 120.269 1.631 17604 1884 1 3 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.152 -0.250 17604 1885 1 3 . 1 1 145 145 ARG C C 145 176.937 176.937 178.310 -1.373 17604 1886 1 3 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.541 -1.980 17604 1887 1 3 . 1 1 145 145 ARG H H 145 7.854 7.854 7.995 -0.141 17604 1888 1 3 . 1 1 146 146 ALA N N 146 119.119 119.119 122.240 -3.121 17604 1889 1 3 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.405 -0.420 17604 1890 1 3 . 1 1 146 146 ALA C C 146 179.367 179.367 178.874 0.493 17604 1891 1 3 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.315 -0.028 17604 1892 1 3 . 1 1 146 146 ALA H H 146 8.439 8.439 8.475 -0.036 17604 1893 1 3 . 1 1 147 147 LYS N N 147 116.600 116.600 119.065 -2.465 17604 1894 1 3 . 1 1 147 147 LYS C C 147 180.052 180.052 178.939 1.113 17604 1895 1 3 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.936 0.708 17604 1896 1 3 . 1 1 147 147 LYS H H 147 8.066 8.066 8.060 0.006 17604 1897 1 3 . 1 1 148 148 ARG N N 148 119.327 119.327 118.878 0.449 17604 1898 1 3 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.950 -0.176 17604 1899 1 3 . 1 1 148 148 ARG C C 148 180.211 180.211 178.988 1.223 17604 1900 1 3 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.355 1.061 17604 1901 1 3 . 1 1 148 148 ARG H H 148 7.489 7.489 7.628 -0.139 17604 1902 1 3 . 1 1 149 149 VAL N N 149 125.204 125.204 120.528 4.676 17604 1903 1 3 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.773 -0.384 17604 1904 1 3 . 1 1 149 149 VAL C C 149 178.523 178.523 178.286 0.237 17604 1905 1 3 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.635 1.659 17604 1906 1 3 . 1 1 149 149 VAL H H 149 8.876 8.876 7.832 1.044 17604 1907 1 3 . 1 1 150 150 ILE N N 150 121.036 121.036 120.957 0.079 17604 1908 1 3 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.929 -0.036 17604 1909 1 3 . 1 1 150 150 ILE C C 150 178.541 178.541 178.159 0.382 17604 1910 1 3 . 1 1 150 150 ILE H H 150 9.322 9.322 8.906 0.415 17604 1911 1 3 . 1 1 151 151 THR N N 151 117.932 117.932 116.802 1.130 17604 1912 1 3 . 1 1 151 151 THR C C 151 176.418 176.418 176.567 -0.149 17604 1913 1 3 . 1 1 151 151 THR CA C 151 67.495 67.495 67.653 -0.158 17604 1914 1 3 . 1 1 151 151 THR H H 151 8.382 8.382 8.536 -0.154 17604 1915 1 3 . 1 1 152 152 THR N N 152 121.769 121.769 119.761 2.008 17604 1916 1 3 . 1 1 152 152 THR HA H 152 4.117 4.117 4.196 -0.079 17604 1917 1 3 . 1 1 152 152 THR C C 152 176.328 176.328 176.308 0.020 17604 1918 1 3 . 1 1 152 152 THR CA C 152 67.646 67.646 66.886 0.760 17604 1919 1 3 . 1 1 152 152 THR H H 152 7.982 7.982 7.780 0.202 17604 1920 1 3 . 1 1 153 153 PHE N N 153 120.509 120.509 121.248 -0.739 17604 1921 1 3 . 1 1 153 153 PHE C C 153 177.848 177.848 177.386 0.462 17604 1922 1 3 . 1 1 153 153 PHE H H 153 8.410 8.410 8.253 0.157 17604 1923 1 3 . 1 1 154 154 ARG N N 154 117.947 117.947 119.648 -1.701 17604 1924 1 3 . 1 1 154 154 ARG C C 154 178.389 178.389 178.478 -0.089 17604 1925 1 3 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.904 -0.132 17604 1926 1 3 . 1 1 154 154 ARG H H 154 8.733 8.733 8.439 0.294 17604 1927 1 3 . 1 1 155 155 THR N N 155 105.055 105.055 108.862 -3.807 17604 1928 1 3 . 1 1 155 155 THR HA H 155 4.235 4.235 4.303 -0.068 17604 1929 1 3 . 1 1 155 155 THR C C 155 176.705 176.705 175.771 0.934 17604 1930 1 3 . 1 1 155 155 THR CA C 155 62.225 62.225 62.125 0.100 17604 1931 1 3 . 1 1 155 155 THR H H 155 8.219 8.219 7.913 0.306 17604 1932 1 3 . 1 1 156 156 GLY N N 156 111.712 111.712 112.336 -0.624 17604 1933 1 3 . 1 1 156 156 GLY C C 156 172.901 172.901 174.180 -1.279 17604 1934 1 3 . 1 1 156 156 GLY H H 156 8.500 8.500 8.023 0.477 17604 1935 1 3 . 1 1 157 157 THR N N 157 108.367 108.367 110.527 -2.160 17604 1936 1 3 . 1 1 157 157 THR HA H 157 4.646 4.646 4.379 0.267 17604 1937 1 3 . 1 1 157 157 THR C C 157 174.042 174.042 173.022 1.020 17604 1938 1 3 . 1 1 157 157 THR CA C 157 58.745 58.745 59.409 -0.664 17604 1939 1 3 . 1 1 157 157 THR H H 157 7.568 7.568 7.263 0.305 17604 1940 1 3 . 1 1 158 158 TRP N N 158 117.864 117.864 119.656 -1.792 17604 1941 1 3 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.930 0.094 17604 1942 1 3 . 1 1 158 158 TRP C C 158 178.088 178.088 176.842 1.246 17604 1943 1 3 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.445 -0.307 17604 1944 1 3 . 1 1 158 158 TRP H H 158 8.512 8.512 8.607 -0.095 17604 1945 1 3 . 1 1 159 159 ASP N N 159 119.522 119.522 122.112 -2.590 17604 1946 1 3 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.460 -0.264 17604 1947 1 3 . 1 1 159 159 ASP C C 159 177.430 177.430 178.074 -0.644 17604 1948 1 3 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.608 1.050 17604 1949 1 3 . 1 1 159 159 ASP H H 159 7.972 7.972 7.811 0.161 17604 1950 1 3 . 1 1 160 160 ALA N N 160 119.939 119.939 121.173 -1.234 17604 1951 1 3 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.183 -0.010 17604 1952 1 3 . 1 1 160 160 ALA C C 160 177.293 177.293 177.925 -0.632 17604 1953 1 3 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.679 -0.099 17604 1954 1 3 . 1 1 160 160 ALA H H 160 9.143 9.143 8.353 0.790 17604 1955 1 3 . 1 1 161 161 TYR N N 161 113.613 113.613 113.260 0.353 17604 1956 1 3 . 1 1 161 161 TYR C C 161 175.078 175.078 177.437 -2.359 17604 1957 1 3 . 1 1 161 161 TYR H H 161 8.071 8.071 8.031 0.040 17604 1958 1 3 . 1 1 162 162 LYS N N 162 119.559 119.559 120.349 -0.790 17604 1959 1 3 . 1 1 162 162 LYS C C 162 176.124 176.124 177.874 -1.750 17604 1960 1 3 . 1 1 162 162 LYS H H 162 7.266 7.266 7.671 -0.405 17604 1961 1 3 . 1 1 163 163 ASN N N 163 116.663 116.663 115.961 0.702 17604 1962 1 3 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.681 -0.154 17604 1963 1 3 . 1 1 163 163 ASN C C 163 173.671 173.671 175.324 -1.653 17604 1964 1 3 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.506 0.535 17604 1965 1 3 . 1 1 163 163 ASN H H 163 8.629 8.629 8.406 0.223 17604 1966 1 4 . 1 1 2 2 ASN N N 2 115.717 115.717 119.797 -4.080 17604 1967 1 4 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.584 -0.073 17604 1968 1 4 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.062 0.363 17604 1969 1 4 . 1 1 2 2 ASN H H 2 6.884 6.884 7.741 -0.857 17604 1970 1 4 . 1 1 3 3 ILE N N 3 116.556 116.556 119.979 -3.423 17604 1971 1 4 . 1 1 3 3 ILE C C 3 174.025 174.025 176.461 -2.436 17604 1972 1 4 . 1 1 3 3 ILE H H 3 8.891 8.891 8.509 0.382 17604 1973 1 4 . 1 1 4 4 PHE N N 4 121.687 121.687 118.825 2.862 17604 1974 1 4 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.203 -0.125 17604 1975 1 4 . 1 1 4 4 PHE C C 4 177.177 177.177 178.084 -0.907 17604 1976 1 4 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.309 -1.710 17604 1977 1 4 . 1 1 4 4 PHE H H 4 7.295 7.295 8.045 -0.750 17604 1978 1 4 . 1 1 5 5 GLU N N 5 118.203 118.203 119.568 -1.365 17604 1979 1 4 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.913 -0.072 17604 1980 1 4 . 1 1 5 5 GLU C C 5 178.279 178.279 179.053 -0.774 17604 1981 1 4 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.176 -0.400 17604 1982 1 4 . 1 1 5 5 GLU H H 5 7.886 7.886 8.604 -0.718 17604 1983 1 4 . 1 1 6 6 MET N N 6 118.175 118.175 120.938 -2.763 17604 1984 1 4 . 1 1 6 6 MET HA H 6 3.243 3.243 3.800 -0.557 17604 1985 1 4 . 1 1 6 6 MET C C 6 177.116 177.116 178.049 -0.933 17604 1986 1 4 . 1 1 6 6 MET CA C 6 58.652 58.652 59.257 -0.605 17604 1987 1 4 . 1 1 7 7 LEU N N 7 116.108 116.108 118.373 -2.265 17604 1988 1 4 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.934 0.020 17604 1989 1 4 . 1 1 7 7 LEU C C 7 178.529 178.529 178.707 -0.178 17604 1990 1 4 . 1 1 7 7 LEU H H 7 8.029 8.029 8.253 -0.224 17604 1991 1 4 . 1 1 8 8 ARG N N 8 120.650 120.650 120.113 0.537 17604 1992 1 4 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.838 -0.275 17604 1993 1 4 . 1 1 8 8 ARG C C 8 180.117 180.117 178.760 1.357 17604 1994 1 4 . 1 1 8 8 ARG H H 8 8.121 8.121 8.133 -0.012 17604 1995 1 4 . 1 1 9 9 ILE N N 9 120.885 120.885 118.534 2.351 17604 1996 1 4 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.779 -0.292 17604 1997 1 4 . 1 1 9 9 ILE C C 9 177.395 177.395 177.298 0.097 17604 1998 1 4 . 1 1 9 9 ILE H H 9 7.619 7.619 7.965 -0.346 17604 1999 1 4 . 1 1 10 10 ASP N N 10 117.684 117.684 117.775 -0.091 17604 2000 1 4 . 1 1 10 10 ASP C C 10 177.857 177.857 178.325 -0.468 17604 2001 1 4 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.907 1.355 17604 2002 1 4 . 1 1 10 10 ASP H H 10 8.012 8.012 7.983 0.029 17604 2003 1 4 . 1 1 11 11 GLU N N 11 115.103 115.103 116.008 -0.905 17604 2004 1 4 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.545 0.003 17604 2005 1 4 . 1 1 11 11 GLU C C 11 178.204 178.204 177.485 0.719 17604 2006 1 4 . 1 1 11 11 GLU CA C 11 55.407 55.407 56.089 -0.681 17604 2007 1 4 . 1 1 11 11 GLU H H 11 8.837 8.837 8.292 0.545 17604 2008 1 4 . 1 1 12 12 GLY N N 12 109.255 109.255 108.608 0.647 17604 2009 1 4 . 1 1 12 12 GLY C C 12 170.041 170.041 171.889 -1.848 17604 2010 1 4 . 1 1 13 13 LEU N N 13 117.280 117.280 121.457 -4.177 17604 2011 1 4 . 1 1 13 13 LEU C C 13 175.609 175.609 175.115 0.494 17604 2012 1 4 . 1 1 13 13 LEU H H 13 7.770 7.770 8.209 -0.439 17604 2013 1 4 . 1 1 14 14 ARG N N 14 126.444 126.444 125.081 1.363 17604 2014 1 4 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.655 0.010 17604 2015 1 4 . 1 1 14 14 ARG C C 14 175.900 175.900 175.903 -0.003 17604 2016 1 4 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.879 -0.788 17604 2017 1 4 . 1 1 14 14 ARG H H 14 8.272 8.272 8.227 0.045 17604 2018 1 4 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 2019 1 4 . 1 1 15 15 LEU C C 15 173.723 173.723 176.046 -2.323 17604 2020 1 4 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 2021 1 4 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 2022 1 4 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.260 0.161 17604 2023 1 4 . 1 1 16 16 LYS C C 16 176.104 176.104 176.753 -0.649 17604 2024 1 4 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.202 -0.614 17604 2025 1 4 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 2026 1 4 . 1 1 17 17 ILE N N 17 120.664 120.664 126.323 -5.659 17604 2027 1 4 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.292 -0.159 17604 2028 1 4 . 1 1 17 17 ILE C C 17 174.773 174.773 176.491 -1.718 17604 2029 1 4 . 1 1 17 17 ILE H H 17 7.556 7.556 8.258 -0.702 17604 2030 1 4 . 1 1 18 18 TYR N N 18 127.713 127.713 125.978 1.735 17604 2031 1 4 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.117 -0.003 17604 2032 1 4 . 1 1 18 18 TYR C C 18 172.709 172.709 173.528 -0.819 17604 2033 1 4 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.295 -0.007 17604 2034 1 4 . 1 1 18 18 TYR H H 18 9.391 9.391 9.092 0.299 17604 2035 1 4 . 1 1 19 19 LYS N N 19 122.584 122.584 120.910 1.674 17604 2036 1 4 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.554 0.009 17604 2037 1 4 . 1 1 19 19 LYS C C 19 176.060 176.060 176.225 -0.165 17604 2038 1 4 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.008 0.017 17604 2039 1 4 . 1 1 19 19 LYS H H 19 8.342 8.342 8.415 -0.073 17604 2040 1 4 . 1 1 20 20 ASP N N 20 124.864 124.864 124.481 0.383 17604 2041 1 4 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.751 -0.180 17604 2042 1 4 . 1 1 20 20 ASP C C 20 178.088 178.088 178.322 -0.234 17604 2043 1 4 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.173 -0.453 17604 2044 1 4 . 1 1 20 20 ASP H H 20 8.509 8.509 8.840 -0.331 17604 2045 1 4 . 1 1 21 21 THR N N 21 110.253 110.253 109.400 0.853 17604 2046 1 4 . 1 1 21 21 THR HA H 21 3.978 3.978 4.069 -0.091 17604 2047 1 4 . 1 1 21 21 THR C C 21 175.847 175.847 175.756 0.091 17604 2048 1 4 . 1 1 21 21 THR CA C 21 65.115 65.115 64.890 0.225 17604 2049 1 4 . 1 1 21 21 THR H H 21 7.975 7.975 8.585 -0.610 17604 2050 1 4 . 1 1 22 22 GLU N N 22 120.058 120.058 119.964 0.094 17604 2051 1 4 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.274 -0.114 17604 2052 1 4 . 1 1 22 22 GLU C C 22 175.511 175.511 176.365 -0.854 17604 2053 1 4 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.873 0.099 17604 2054 1 4 . 1 1 23 23 GLY N N 23 106.801 106.801 106.732 0.069 17604 2055 1 4 . 1 1 23 23 GLY C C 23 173.498 173.498 174.027 -0.529 17604 2056 1 4 . 1 1 23 23 GLY H H 23 7.831 7.831 7.839 -0.008 17604 2057 1 4 . 1 1 24 24 TYR N N 24 120.577 120.577 119.574 1.003 17604 2058 1 4 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.508 0.441 17604 2059 1 4 . 1 1 24 24 TYR C C 24 177.646 177.646 175.808 1.838 17604 2060 1 4 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.461 -1.756 17604 2061 1 4 . 1 1 24 24 TYR H H 24 8.190 8.190 8.084 0.106 17604 2062 1 4 . 1 1 25 25 TYR N N 25 122.599 122.599 123.192 -0.593 17604 2063 1 4 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.891 0.002 17604 2064 1 4 . 1 1 25 25 TYR C C 25 175.225 175.225 176.200 -0.975 17604 2065 1 4 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.014 -0.183 17604 2066 1 4 . 1 1 25 25 TYR H H 25 8.730 8.730 8.881 -0.151 17604 2067 1 4 . 1 1 26 26 THR N N 26 120.566 120.566 118.046 2.520 17604 2068 1 4 . 1 1 26 26 THR C C 26 170.704 170.704 172.607 -1.903 17604 2069 1 4 . 1 1 26 26 THR CA C 26 60.848 60.848 61.282 -0.434 17604 2070 1 4 . 1 1 26 26 THR H H 26 9.394 9.394 9.067 0.327 17604 2071 1 4 . 1 1 27 27 ILE N N 27 120.480 120.480 120.684 -0.204 17604 2072 1 4 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.518 0.117 17604 2073 1 4 . 1 1 27 27 ILE C C 27 172.588 172.588 174.637 -2.049 17604 2074 1 4 . 1 1 27 27 ILE H H 27 8.842 8.842 8.530 0.312 17604 2075 1 4 . 1 1 28 28 GLY N N 28 112.034 112.034 112.807 -0.773 17604 2076 1 4 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 2077 1 4 . 1 1 28 28 GLY H H 28 8.585 8.585 8.801 -0.216 17604 2078 1 4 . 1 1 29 29 ILE N N 29 134.307 134.307 125.113 9.194 17604 2079 1 4 . 1 1 29 29 ILE C C 29 176.641 176.641 176.622 0.019 17604 2080 1 4 . 1 1 29 29 ILE H H 29 10.269 10.269 8.648 1.621 17604 2081 1 4 . 1 1 30 30 GLY N N 30 107.697 107.697 112.456 -4.759 17604 2082 1 4 . 1 1 30 30 GLY C C 30 173.103 173.103 174.263 -1.160 17604 2083 1 4 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.105 0.542 17604 2084 1 4 . 1 1 30 30 GLY H H 30 8.159 8.159 8.400 -0.241 17604 2085 1 4 . 1 1 31 31 HIS N N 31 115.580 115.580 120.114 -4.534 17604 2086 1 4 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.638 -0.294 17604 2087 1 4 . 1 1 31 31 HIS C C 31 173.242 173.242 174.587 -1.345 17604 2088 1 4 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.875 1.782 17604 2089 1 4 . 1 1 31 31 HIS H H 31 8.274 8.274 8.431 -0.157 17604 2090 1 4 . 1 1 32 32 LEU N N 32 131.965 131.965 128.657 3.308 17604 2091 1 4 . 1 1 32 32 LEU C C 32 176.441 176.441 175.655 0.786 17604 2092 1 4 . 1 1 32 32 LEU H H 32 7.916 7.916 8.262 -0.346 17604 2093 1 4 . 1 1 33 33 LEU N N 33 125.891 125.891 126.358 -0.467 17604 2094 1 4 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.361 0.136 17604 2095 1 4 . 1 1 33 33 LEU C C 33 176.188 176.188 177.124 -0.936 17604 2096 1 4 . 1 1 33 33 LEU H H 33 9.078 9.078 8.780 0.298 17604 2097 1 4 . 1 1 34 34 THR N N 34 109.694 109.694 109.027 0.667 17604 2098 1 4 . 1 1 34 34 THR HA H 34 4.465 4.465 4.387 0.078 17604 2099 1 4 . 1 1 34 34 THR C C 34 171.627 171.627 172.298 -0.671 17604 2100 1 4 . 1 1 34 34 THR CA C 34 60.050 60.050 61.361 -1.311 17604 2101 1 4 . 1 1 34 34 THR H H 34 7.266 7.266 7.378 -0.112 17604 2102 1 4 . 1 1 35 35 LYS N N 35 124.851 124.851 122.555 2.296 17604 2103 1 4 . 1 1 35 35 LYS C C 35 176.730 176.730 176.753 -0.023 17604 2104 1 4 . 1 1 35 35 LYS H H 35 8.583 8.583 8.278 0.305 17604 2105 1 4 . 1 1 36 36 SER N N 36 119.457 119.457 117.698 1.759 17604 2106 1 4 . 1 1 36 36 SER H H 36 8.748 8.748 7.809 0.939 17604 2107 1 4 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.580 0.305 17604 2108 1 4 . 1 1 37 37 PRO C C 37 177.051 177.051 176.811 0.240 17604 2109 1 4 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.436 -0.207 17604 2110 1 4 . 1 1 38 38 SER N N 38 116.302 116.302 116.113 0.189 17604 2111 1 4 . 1 1 38 38 SER HA H 38 4.730 4.730 4.571 0.159 17604 2112 1 4 . 1 1 38 38 SER C C 38 174.400 174.400 175.308 -0.908 17604 2113 1 4 . 1 1 38 38 SER CA C 38 56.315 56.315 56.685 -0.370 17604 2114 1 4 . 1 1 38 38 SER H H 38 8.230 8.230 7.758 0.472 17604 2115 1 4 . 1 1 39 39 LEU N N 39 133.066 133.066 130.485 2.581 17604 2116 1 4 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.351 0.093 17604 2117 1 4 . 1 1 39 39 LEU C C 39 178.462 178.462 177.570 0.892 17604 2118 1 4 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 2119 1 4 . 1 1 40 40 ASN N N 40 116.781 116.781 117.514 -0.733 17604 2120 1 4 . 1 1 40 40 ASN C C 40 178.279 178.279 177.434 0.845 17604 2121 1 4 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 2122 1 4 . 1 1 41 41 ALA N N 41 123.917 123.917 122.975 0.942 17604 2123 1 4 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.996 0.217 17604 2124 1 4 . 1 1 41 41 ALA C C 41 179.882 179.882 178.893 0.989 17604 2125 1 4 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.928 -0.215 17604 2126 1 4 . 1 1 41 41 ALA H H 41 7.746 7.746 7.591 0.155 17604 2127 1 4 . 1 1 42 42 ALA N N 42 120.972 120.972 121.297 -0.325 17604 2128 1 4 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.874 -0.133 17604 2129 1 4 . 1 1 42 42 ALA C C 42 178.822 178.822 179.453 -0.631 17604 2130 1 4 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.104 0.329 17604 2131 1 4 . 1 1 42 42 ALA H H 42 7.593 7.593 7.857 -0.264 17604 2132 1 4 . 1 1 43 43 LYS N N 43 117.113 117.113 118.137 -1.024 17604 2133 1 4 . 1 1 43 43 LYS C C 43 177.715 177.715 178.920 -1.205 17604 2134 1 4 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 2135 1 4 . 1 1 44 44 SER N N 44 113.825 113.825 115.251 -1.426 17604 2136 1 4 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 2137 1 4 . 1 1 44 44 SER CA C 44 61.708 61.708 61.395 0.313 17604 2138 1 4 . 1 1 44 44 SER H H 44 7.927 7.927 8.146 -0.219 17604 2139 1 4 . 1 1 45 45 GLU N N 45 120.104 120.104 121.230 -1.126 17604 2140 1 4 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.042 0.079 17604 2141 1 4 . 1 1 45 45 GLU C C 45 179.367 179.367 179.150 0.217 17604 2142 1 4 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.998 -0.482 17604 2143 1 4 . 1 1 46 46 LEU N N 46 122.714 122.714 122.366 0.348 17604 2144 1 4 . 1 1 46 46 LEU C C 46 177.304 177.304 178.308 -1.004 17604 2145 1 4 . 1 1 46 46 LEU H H 46 8.304 8.304 8.317 -0.013 17604 2146 1 4 . 1 1 47 47 ASP N N 47 120.220 120.220 119.880 0.340 17604 2147 1 4 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 2148 1 4 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.418 -0.152 17604 2149 1 4 . 1 1 47 47 ASP H H 47 8.651 8.651 8.425 0.226 17604 2150 1 4 . 1 1 48 48 LYS N N 48 120.884 120.884 120.006 0.878 17604 2151 1 4 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.063 -0.053 17604 2152 1 4 . 1 1 48 48 LYS C C 48 178.238 178.238 178.306 -0.068 17604 2153 1 4 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.870 0.240 17604 2154 1 4 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 2155 1 4 . 1 1 49 49 ALA N N 49 121.076 121.076 121.931 -0.855 17604 2156 1 4 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.221 -0.055 17604 2157 1 4 . 1 1 49 49 ALA C C 49 179.471 179.471 179.199 0.272 17604 2158 1 4 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.555 -0.188 17604 2159 1 4 . 1 1 49 49 ALA H H 49 7.926 7.926 7.967 -0.041 17604 2160 1 4 . 1 1 50 50 ILE N N 50 114.845 114.845 115.948 -1.103 17604 2161 1 4 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.049 0.028 17604 2162 1 4 . 1 1 50 50 ILE C C 50 177.256 177.256 177.208 0.048 17604 2163 1 4 . 1 1 50 50 ILE H H 50 8.379 8.379 7.713 0.666 17604 2164 1 4 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.584 17604 2165 1 4 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 2166 1 4 . 1 1 51 51 GLY H H 51 8.380 8.380 8.380 0.000 17604 2167 1 4 . 1 1 52 52 ARG N N 52 115.489 115.489 116.551 -1.062 17604 2168 1 4 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 2169 1 4 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 2170 1 4 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 2171 1 4 . 1 1 53 53 ASN N N 53 115.422 115.422 120.469 -5.047 17604 2172 1 4 . 1 1 53 53 ASN C C 53 175.434 175.434 174.995 0.439 17604 2173 1 4 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 2174 1 4 . 1 1 54 54 THR N N 54 119.611 119.611 118.032 1.579 17604 2175 1 4 . 1 1 54 54 THR HA H 54 4.303 4.303 4.497 -0.194 17604 2176 1 4 . 1 1 54 54 THR C C 54 177.316 177.316 174.678 2.638 17604 2177 1 4 . 1 1 54 54 THR CA C 54 63.742 63.742 60.889 2.853 17604 2178 1 4 . 1 1 54 54 THR H H 54 9.079 9.079 8.770 0.309 17604 2179 1 4 . 1 1 55 55 ASN N N 55 120.102 120.102 118.446 1.656 17604 2180 1 4 . 1 1 55 55 ASN C C 55 175.771 175.771 175.670 0.101 17604 2181 1 4 . 1 1 55 55 ASN H H 55 9.477 9.477 8.342 1.135 17604 2182 1 4 . 1 1 56 56 GLY N N 56 102.932 102.932 108.256 -5.324 17604 2183 1 4 . 1 1 56 56 GLY C C 56 172.123 172.123 172.908 -0.785 17604 2184 1 4 . 1 1 56 56 GLY H H 56 8.688 8.688 7.800 0.888 17604 2185 1 4 . 1 1 57 57 VAL N N 57 120.312 120.312 118.574 1.738 17604 2186 1 4 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 2187 1 4 . 1 1 57 57 VAL C C 57 174.887 174.887 174.887 0.000 17604 2188 1 4 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.692 0.973 17604 2189 1 4 . 1 1 57 57 VAL H H 57 7.473 7.473 7.423 0.050 17604 2190 1 4 . 1 1 58 58 ILE N N 58 116.909 116.909 121.363 -4.454 17604 2191 1 4 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.093 -0.218 17604 2192 1 4 . 1 1 58 58 ILE C C 58 175.410 175.410 175.215 0.195 17604 2193 1 4 . 1 1 58 58 ILE H H 58 8.545 8.545 9.075 -0.530 17604 2194 1 4 . 1 1 59 59 THR N N 59 109.210 109.210 112.609 -3.399 17604 2195 1 4 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 2196 1 4 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 2197 1 4 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 2198 1 4 . 1 1 59 59 THR H H 59 8.694 8.694 9.056 -0.362 17604 2199 1 4 . 1 1 60 60 LYS N N 60 121.466 121.466 121.688 -0.222 17604 2200 1 4 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.957 -0.092 17604 2201 1 4 . 1 1 60 60 LYS C C 60 178.086 178.086 178.333 -0.247 17604 2202 1 4 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.460 0.397 17604 2203 1 4 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 2204 1 4 . 1 1 61 61 ASP N N 61 117.243 117.243 118.398 -1.155 17604 2205 1 4 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.409 -0.059 17604 2206 1 4 . 1 1 61 61 ASP C C 61 179.628 179.628 179.024 0.604 17604 2207 1 4 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.525 -0.331 17604 2208 1 4 . 1 1 61 61 ASP H H 61 8.252 8.252 8.536 -0.284 17604 2209 1 4 . 1 1 62 62 GLU N N 62 121.473 121.473 120.193 1.280 17604 2210 1 4 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.067 -0.184 17604 2211 1 4 . 1 1 62 62 GLU C C 62 178.781 178.781 178.824 -0.043 17604 2212 1 4 . 1 1 62 62 GLU H H 62 7.713 7.713 7.892 -0.179 17604 2213 1 4 . 1 1 63 63 ALA N N 63 121.213 121.213 122.794 -1.581 17604 2214 1 4 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.953 -0.059 17604 2215 1 4 . 1 1 63 63 ALA C C 63 180.801 180.801 179.763 1.038 17604 2216 1 4 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.688 -0.584 17604 2217 1 4 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 2218 1 4 . 1 1 64 64 GLU N N 64 119.853 119.853 118.217 1.636 17604 2219 1 4 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.188 -0.003 17604 2220 1 4 . 1 1 64 64 GLU C C 64 177.889 177.889 178.923 -1.034 17604 2221 1 4 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.418 0.874 17604 2222 1 4 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 2223 1 4 . 1 1 65 65 LYS N N 65 122.118 122.118 121.369 0.749 17604 2224 1 4 . 1 1 65 65 LYS C C 65 179.896 179.896 179.007 0.889 17604 2225 1 4 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.642 0.047 17604 2226 1 4 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 2227 1 4 . 1 1 66 66 LEU N N 66 118.262 118.262 119.321 -1.059 17604 2228 1 4 . 1 1 66 66 LEU C C 66 177.988 177.988 179.104 -1.116 17604 2229 1 4 . 1 1 66 66 LEU H H 66 7.705 7.705 8.100 -0.395 17604 2230 1 4 . 1 1 67 67 PHE N N 67 118.838 118.838 120.242 -1.404 17604 2231 1 4 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.277 0.991 17604 2232 1 4 . 1 1 67 67 PHE C C 67 177.256 177.256 177.537 -0.281 17604 2233 1 4 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.812 -1.123 17604 2234 1 4 . 1 1 67 67 PHE H H 67 8.060 8.060 8.462 -0.402 17604 2235 1 4 . 1 1 68 68 ASN N N 68 117.691 117.691 117.405 0.286 17604 2236 1 4 . 1 1 68 68 ASN C C 68 178.790 178.790 177.573 1.217 17604 2237 1 4 . 1 1 68 68 ASN H H 68 8.473 8.473 8.569 -0.096 17604 2238 1 4 . 1 1 69 69 GLN N N 69 118.450 118.450 119.187 -0.737 17604 2239 1 4 . 1 1 69 69 GLN C C 69 178.971 178.971 178.450 0.521 17604 2240 1 4 . 1 1 69 69 GLN H H 69 7.788 7.788 8.090 -0.302 17604 2241 1 4 . 1 1 70 70 ASP N N 70 123.108 123.108 120.947 2.161 17604 2242 1 4 . 1 1 70 70 ASP C C 70 179.925 179.925 178.975 0.950 17604 2243 1 4 . 1 1 70 70 ASP H H 70 8.857 8.857 8.470 0.387 17604 2244 1 4 . 1 1 71 71 VAL N N 71 125.622 125.622 120.693 4.929 17604 2245 1 4 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.433 0.158 17604 2246 1 4 . 1 1 71 71 VAL C C 71 177.173 177.173 177.547 -0.374 17604 2247 1 4 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.742 1.648 17604 2248 1 4 . 1 1 71 71 VAL H H 71 9.017 9.017 8.332 0.685 17604 2249 1 4 . 1 1 72 72 ASP N N 72 118.829 118.829 119.979 -1.150 17604 2250 1 4 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.242 0.111 17604 2251 1 4 . 1 1 72 72 ASP C C 72 178.629 178.629 178.183 0.446 17604 2252 1 4 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.297 0.327 17604 2253 1 4 . 1 1 72 72 ASP H H 72 7.605 7.605 8.138 -0.533 17604 2254 1 4 . 1 1 73 73 ALA N N 73 119.829 119.829 121.707 -1.878 17604 2255 1 4 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.029 -0.001 17604 2256 1 4 . 1 1 73 73 ALA C C 73 180.382 180.382 179.553 0.829 17604 2257 1 4 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.048 0.091 17604 2258 1 4 . 1 1 73 73 ALA H H 73 8.344 8.344 8.248 0.096 17604 2259 1 4 . 1 1 74 74 ALA N N 74 123.039 123.039 121.832 1.207 17604 2260 1 4 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.970 0.197 17604 2261 1 4 . 1 1 74 74 ALA C C 74 179.701 179.701 179.520 0.181 17604 2262 1 4 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.872 -0.201 17604 2263 1 4 . 1 1 74 74 ALA H H 74 7.877 7.877 7.704 0.173 17604 2264 1 4 . 1 1 75 75 VAL H H 75 8.180 8.180 7.877 0.303 17604 2265 1 4 . 1 1 76 76 ARG N N 76 117.752 117.752 119.921 -2.169 17604 2266 1 4 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.904 -0.089 17604 2267 1 4 . 1 1 76 76 ARG C C 76 178.843 178.843 178.668 0.175 17604 2268 1 4 . 1 1 76 76 ARG H H 76 8.416 8.416 8.629 -0.213 17604 2269 1 4 . 1 1 77 77 GLY N N 77 105.782 105.782 106.952 -1.170 17604 2270 1 4 . 1 1 77 77 GLY C C 77 176.137 176.137 176.045 0.092 17604 2271 1 4 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.798 -0.741 17604 2272 1 4 . 1 1 77 77 GLY H H 77 8.010 8.010 8.112 -0.102 17604 2273 1 4 . 1 1 78 78 ILE N N 78 121.765 121.765 122.048 -0.283 17604 2274 1 4 . 1 1 78 78 ILE C C 78 177.166 177.166 178.269 -1.103 17604 2275 1 4 . 1 1 78 78 ILE H H 78 7.502 7.502 7.741 -0.239 17604 2276 1 4 . 1 1 79 79 LEU N N 79 115.166 115.166 117.791 -2.625 17604 2277 1 4 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.017 -0.190 17604 2278 1 4 . 1 1 79 79 LEU C C 79 178.804 178.804 178.111 0.693 17604 2279 1 4 . 1 1 79 79 LEU H H 79 7.903 7.903 8.033 -0.130 17604 2280 1 4 . 1 1 80 80 ARG N N 80 114.734 114.734 114.605 0.129 17604 2281 1 4 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.313 0.014 17604 2282 1 4 . 1 1 80 80 ARG C C 80 175.118 175.118 175.791 -0.673 17604 2283 1 4 . 1 1 80 80 ARG H H 80 7.707 7.707 7.643 0.064 17604 2284 1 4 . 1 1 81 81 ASN N N 81 120.809 120.809 118.734 2.075 17604 2285 1 4 . 1 1 81 81 ASN C C 81 174.581 174.581 175.217 -0.636 17604 2286 1 4 . 1 1 81 81 ASN H H 81 7.498 7.498 7.506 -0.008 17604 2287 1 4 . 1 1 82 82 ALA N N 82 127.902 127.902 129.606 -1.704 17604 2288 1 4 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.168 -0.089 17604 2289 1 4 . 1 1 82 82 ALA C C 82 178.943 178.943 178.567 0.376 17604 2290 1 4 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.558 0.289 17604 2291 1 4 . 1 1 82 82 ALA H H 82 8.849 8.849 8.971 -0.122 17604 2292 1 4 . 1 1 83 83 LYS N N 83 114.166 114.166 117.389 -3.223 17604 2293 1 4 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.236 0.053 17604 2294 1 4 . 1 1 83 83 LYS C C 83 177.907 177.907 178.639 -0.732 17604 2295 1 4 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.551 -1.211 17604 2296 1 4 . 1 1 83 83 LYS H H 83 8.060 8.060 8.212 -0.152 17604 2297 1 4 . 1 1 84 84 LEU N N 84 116.412 116.412 120.331 -3.919 17604 2298 1 4 . 1 1 84 84 LEU C C 84 178.335 178.335 178.256 0.079 17604 2299 1 4 . 1 1 84 84 LEU H H 84 7.531 7.531 8.466 -0.935 17604 2300 1 4 . 1 1 85 85 LYS N N 85 121.080 121.080 120.627 0.453 17604 2301 1 4 . 1 1 85 85 LYS H H 85 8.462 8.462 8.397 0.065 17604 2302 1 4 . 1 1 86 86 PRO C C 86 179.959 179.959 179.204 0.755 17604 2303 1 4 . 1 1 87 87 VAL N N 87 115.566 115.566 118.684 -3.118 17604 2304 1 4 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.762 -0.018 17604 2305 1 4 . 1 1 87 87 VAL C C 87 178.545 178.545 178.264 0.281 17604 2306 1 4 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.286 -0.782 17604 2307 1 4 . 1 1 87 87 VAL H H 87 6.893 6.893 7.283 -0.390 17604 2308 1 4 . 1 1 88 88 TYR N N 88 122.544 122.544 121.219 1.325 17604 2309 1 4 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.130 -0.231 17604 2310 1 4 . 1 1 88 88 TYR C C 88 177.722 177.722 178.198 -0.476 17604 2311 1 4 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.990 0.871 17604 2312 1 4 . 1 1 88 88 TYR H H 88 8.457 8.457 8.697 -0.240 17604 2313 1 4 . 1 1 89 89 ASP N N 89 117.217 117.217 117.630 -0.413 17604 2314 1 4 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.366 -0.045 17604 2315 1 4 . 1 1 89 89 ASP C C 89 177.849 177.849 178.469 -0.620 17604 2316 1 4 . 1 1 89 89 ASP H H 89 9.103 9.103 8.934 0.169 17604 2317 1 4 . 1 1 90 90 SER N N 90 113.279 113.279 114.107 -0.828 17604 2318 1 4 . 1 1 90 90 SER HA H 90 4.424 4.424 4.343 0.081 17604 2319 1 4 . 1 1 90 90 SER C C 90 174.362 174.362 175.010 -0.648 17604 2320 1 4 . 1 1 90 90 SER CA C 90 59.655 59.655 59.576 0.079 17604 2321 1 4 . 1 1 90 90 SER H H 90 7.365 7.365 7.646 -0.281 17604 2322 1 4 . 1 1 91 91 LEU N N 91 123.395 123.395 123.708 -0.313 17604 2323 1 4 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.510 -0.086 17604 2324 1 4 . 1 1 91 91 LEU C C 91 176.268 176.268 176.759 -0.491 17604 2325 1 4 . 1 1 91 91 LEU H H 91 7.458 7.458 7.359 0.099 17604 2326 1 4 . 1 1 92 92 ASP N N 92 115.456 115.456 121.968 -6.512 17604 2327 1 4 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.478 0.145 17604 2328 1 4 . 1 1 92 92 ASP C C 92 175.560 175.560 176.737 -1.177 17604 2329 1 4 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.978 -1.802 17604 2330 1 4 . 1 1 92 92 ASP H H 92 7.401 7.401 8.452 -1.051 17604 2331 1 4 . 1 1 93 93 ALA N N 93 119.761 119.761 122.087 -2.326 17604 2332 1 4 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.043 -0.246 17604 2333 1 4 . 1 1 93 93 ALA C C 93 179.896 179.896 179.752 0.144 17604 2334 1 4 . 1 1 93 93 ALA H H 93 8.687 8.687 8.538 0.149 17604 2335 1 4 . 1 1 94 94 VAL N N 94 118.785 118.785 118.202 0.583 17604 2336 1 4 . 1 1 94 94 VAL C C 94 177.307 177.307 177.856 -0.549 17604 2337 1 4 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.778 0.167 17604 2338 1 4 . 1 1 94 94 VAL H H 94 7.822 7.822 7.585 0.237 17604 2339 1 4 . 1 1 95 95 ARG N N 95 119.046 119.046 118.656 0.390 17604 2340 1 4 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.660 -0.081 17604 2341 1 4 . 1 1 95 95 ARG C C 95 178.424 178.424 178.735 -0.311 17604 2342 1 4 . 1 1 95 95 ARG H H 95 7.766 7.766 8.105 -0.339 17604 2343 1 4 . 1 1 96 96 ARG N N 96 118.034 118.034 119.579 -1.545 17604 2344 1 4 . 1 1 96 96 ARG C C 96 177.930 177.930 178.404 -0.474 17604 2345 1 4 . 1 1 96 96 ARG H H 96 8.629 8.629 8.394 0.235 17604 2346 1 4 . 1 1 97 97 ALA N N 97 119.949 119.949 121.324 -1.375 17604 2347 1 4 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.015 0.053 17604 2348 1 4 . 1 1 97 97 ALA C C 97 178.702 178.702 178.955 -0.253 17604 2349 1 4 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.078 0.290 17604 2350 1 4 . 1 1 97 97 ALA H H 97 7.028 7.028 7.447 -0.419 17604 2351 1 4 . 1 1 98 98 ALA N N 98 118.852 118.852 121.091 -2.239 17604 2352 1 4 . 1 1 98 98 ALA C C 98 177.525 177.525 179.106 -1.581 17604 2353 1 4 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.499 0.823 17604 2354 1 4 . 1 1 98 98 ALA H H 98 7.200 7.200 7.217 -0.017 17604 2355 1 4 . 1 1 99 99 ALA N N 99 119.728 119.728 121.624 -1.896 17604 2356 1 4 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.147 -0.613 17604 2357 1 4 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.127 0.469 17604 2358 1 4 . 1 1 99 99 ALA H H 99 7.795 7.795 7.645 0.150 17604 2359 1 4 . 1 1 100 100 ILE N N 100 116.243 116.243 117.782 -1.539 17604 2360 1 4 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.684 -0.233 17604 2361 1 4 . 1 1 100 100 ILE C C 100 176.994 176.994 178.298 -1.304 17604 2362 1 4 . 1 1 100 100 ILE H H 100 8.093 8.093 8.259 -0.166 17604 2363 1 4 . 1 1 101 101 ASN N N 101 116.433 116.433 117.951 -1.518 17604 2364 1 4 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.501 -0.243 17604 2365 1 4 . 1 1 101 101 ASN C C 101 177.449 177.449 177.607 -0.158 17604 2366 1 4 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.651 1.175 17604 2367 1 4 . 1 1 101 101 ASN H H 101 8.097 8.097 7.926 0.171 17604 2368 1 4 . 1 1 102 102 MET N N 102 113.936 113.936 116.412 -2.476 17604 2369 1 4 . 1 1 102 102 MET HA H 102 3.657 3.657 4.100 -0.443 17604 2370 1 4 . 1 1 102 102 MET CA C 102 61.050 61.050 56.908 4.141 17604 2371 1 4 . 1 1 102 102 MET H H 102 7.719 7.719 7.834 -0.115 17604 2372 1 4 . 1 1 103 103 VAL N N 103 105.507 105.507 109.271 -3.764 17604 2373 1 4 . 1 1 103 103 VAL C C 103 175.510 175.510 175.090 0.420 17604 2374 1 4 . 1 1 103 103 VAL CA C 103 61.665 61.665 60.327 1.339 17604 2375 1 4 . 1 1 103 103 VAL H H 103 7.320 7.320 7.139 0.181 17604 2376 1 4 . 1 1 104 104 PHE N N 104 126.466 126.466 123.488 2.978 17604 2377 1 4 . 1 1 104 104 PHE C C 104 176.939 176.939 175.034 1.905 17604 2378 1 4 . 1 1 104 104 PHE H H 104 7.877 7.877 7.618 0.259 17604 2379 1 4 . 1 1 105 105 GLN N N 105 119.920 119.920 125.217 -5.297 17604 2380 1 4 . 1 1 105 105 GLN C C 105 174.943 174.943 174.109 0.834 17604 2381 1 4 . 1 1 105 105 GLN H H 105 8.540 8.540 8.436 0.104 17604 2382 1 4 . 1 1 106 106 MET N N 106 117.242 117.242 119.082 -1.840 17604 2383 1 4 . 1 1 106 106 MET HA H 106 4.146 4.146 4.491 -0.345 17604 2384 1 4 . 1 1 106 106 MET C C 106 177.126 177.126 175.490 1.636 17604 2385 1 4 . 1 1 106 106 MET CA C 106 54.786 54.786 54.395 0.391 17604 2386 1 4 . 1 1 106 106 MET H H 106 8.869 8.869 7.798 1.071 17604 2387 1 4 . 1 1 107 107 GLY N N 107 107.963 107.963 113.112 -5.149 17604 2388 1 4 . 1 1 107 107 GLY C C 107 174.858 174.858 174.936 -0.078 17604 2389 1 4 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.293 1.805 17604 2390 1 4 . 1 1 107 107 GLY H H 107 7.819 7.819 8.255 -0.436 17604 2391 1 4 . 1 1 108 108 GLU N N 108 122.988 122.988 120.397 2.591 17604 2392 1 4 . 1 1 108 108 GLU C C 108 179.500 179.500 178.861 0.639 17604 2393 1 4 . 1 1 108 108 GLU H H 108 8.778 8.778 8.819 -0.041 17604 2394 1 4 . 1 1 109 109 THR N N 109 112.024 112.024 114.724 -2.700 17604 2395 1 4 . 1 1 109 109 THR HA H 109 4.193 4.193 4.127 0.066 17604 2396 1 4 . 1 1 109 109 THR C C 109 178.149 178.149 176.830 1.319 17604 2397 1 4 . 1 1 109 109 THR CA C 109 65.018 65.018 67.406 -2.389 17604 2398 1 4 . 1 1 109 109 THR H H 109 8.617 8.617 8.380 0.237 17604 2399 1 4 . 1 1 110 110 GLY N N 110 116.155 116.155 109.993 6.162 17604 2400 1 4 . 1 1 110 110 GLY C C 110 175.727 175.727 175.805 -0.078 17604 2401 1 4 . 1 1 110 110 GLY H H 110 8.631 8.631 8.257 0.374 17604 2402 1 4 . 1 1 111 111 VAL N N 111 120.428 120.428 122.804 -2.376 17604 2403 1 4 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.631 0.005 17604 2404 1 4 . 1 1 111 111 VAL C C 111 179.055 179.055 177.927 1.128 17604 2405 1 4 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.372 0.756 17604 2406 1 4 . 1 1 111 111 VAL H H 111 8.073 8.073 8.061 0.012 17604 2407 1 4 . 1 1 112 112 ALA N N 112 124.050 124.050 122.484 1.566 17604 2408 1 4 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.040 0.175 17604 2409 1 4 . 1 1 112 112 ALA C C 112 180.059 180.059 179.418 0.641 17604 2410 1 4 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.305 0.115 17604 2411 1 4 . 1 1 112 112 ALA H H 112 8.297 8.297 8.395 -0.098 17604 2412 1 4 . 1 1 113 113 GLY N N 113 105.820 105.820 107.077 -1.257 17604 2413 1 4 . 1 1 113 113 GLY C C 113 175.656 175.656 175.665 -0.009 17604 2414 1 4 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.929 0.089 17604 2415 1 4 . 1 1 113 113 GLY H H 113 8.218 8.218 8.195 0.023 17604 2416 1 4 . 1 1 114 114 PHE N N 114 122.441 122.441 122.200 0.241 17604 2417 1 4 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.271 -0.063 17604 2418 1 4 . 1 1 114 114 PHE C C 114 177.316 177.316 178.186 -0.870 17604 2419 1 4 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.742 -0.868 17604 2420 1 4 . 1 1 114 114 PHE H H 114 8.111 8.111 8.375 -0.264 17604 2421 1 4 . 1 1 115 115 THR N N 115 114.602 114.602 116.790 -2.188 17604 2422 1 4 . 1 1 115 115 THR C C 115 176.611 176.611 176.724 -0.113 17604 2423 1 4 . 1 1 115 115 THR CA C 115 66.636 66.636 67.142 -0.506 17604 2424 1 4 . 1 1 115 115 THR H H 115 8.378 8.378 8.541 -0.163 17604 2425 1 4 . 1 1 116 116 ASN N N 116 119.071 119.071 118.774 0.297 17604 2426 1 4 . 1 1 116 116 ASN H H 116 8.276 8.276 8.082 0.194 17604 2427 1 4 . 1 1 117 117 SER C C 117 174.833 174.833 174.229 0.604 17604 2428 1 4 . 1 1 118 118 LEU N N 118 121.114 121.114 121.648 -0.534 17604 2429 1 4 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.814 0.358 17604 2430 1 4 . 1 1 118 118 LEU C C 118 177.954 177.954 177.924 0.030 17604 2431 1 4 . 1 1 118 118 LEU H H 118 7.336 7.336 7.138 0.198 17604 2432 1 4 . 1 1 119 119 ARG N N 119 117.315 117.315 117.812 -0.497 17604 2433 1 4 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.986 0.065 17604 2434 1 4 . 1 1 119 119 ARG C C 119 178.720 178.720 178.356 0.364 17604 2435 1 4 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.397 -0.776 17604 2436 1 4 . 1 1 119 119 ARG H H 119 8.329 8.329 8.204 0.125 17604 2437 1 4 . 1 1 120 120 MET N N 120 115.507 115.507 117.654 -2.147 17604 2438 1 4 . 1 1 120 120 MET HA H 120 3.969 3.969 4.291 -0.322 17604 2439 1 4 . 1 1 120 120 MET C C 120 178.161 178.161 177.824 0.337 17604 2440 1 4 . 1 1 120 120 MET CA C 120 59.029 59.029 56.623 2.406 17604 2441 1 4 . 1 1 120 120 MET H H 120 7.408 7.408 7.556 -0.148 17604 2442 1 4 . 1 1 121 121 LEU N N 121 117.639 117.639 120.637 -2.998 17604 2443 1 4 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.962 -0.109 17604 2444 1 4 . 1 1 121 121 LEU C C 121 179.852 179.852 179.749 0.103 17604 2445 1 4 . 1 1 121 121 LEU H H 121 7.681 7.681 7.624 0.057 17604 2446 1 4 . 1 1 122 122 GLN N N 122 120.423 120.423 119.172 1.251 17604 2447 1 4 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.034 -0.089 17604 2448 1 4 . 1 1 122 122 GLN C C 122 176.976 176.976 177.580 -0.604 17604 2449 1 4 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.224 1.166 17604 2450 1 4 . 1 1 122 122 GLN H H 122 8.689 8.689 7.917 0.772 17604 2451 1 4 . 1 1 123 123 GLN N N 123 113.631 113.631 115.639 -2.008 17604 2452 1 4 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.196 -0.124 17604 2453 1 4 . 1 1 123 123 GLN C C 123 174.455 174.455 175.082 -0.627 17604 2454 1 4 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.490 -0.310 17604 2455 1 4 . 1 1 123 123 GLN H H 123 7.251 7.251 7.523 -0.272 17604 2456 1 4 . 1 1 124 124 LYS N N 124 114.745 114.745 114.538 0.207 17604 2457 1 4 . 1 1 124 124 LYS C C 124 174.910 174.910 175.143 -0.233 17604 2458 1 4 . 1 1 124 124 LYS H H 124 7.291 7.291 7.378 -0.087 17604 2459 1 4 . 1 1 125 125 ARG N N 125 119.533 119.533 118.677 0.856 17604 2460 1 4 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 2461 1 4 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 2462 1 4 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.541 -0.355 17604 2463 1 4 . 1 1 125 125 ARG H H 125 7.715 7.715 7.833 -0.118 17604 2464 1 4 . 1 1 126 126 TRP N N 126 119.232 119.232 123.537 -4.305 17604 2465 1 4 . 1 1 126 126 TRP C C 126 178.891 178.891 177.707 1.184 17604 2466 1 4 . 1 1 126 126 TRP H H 126 6.888 6.888 7.441 -0.553 17604 2467 1 4 . 1 1 127 127 ASP N N 127 116.481 116.481 117.641 -1.160 17604 2468 1 4 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.404 0.012 17604 2469 1 4 . 1 1 127 127 ASP C C 127 178.854 178.854 178.519 0.335 17604 2470 1 4 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.991 -0.301 17604 2471 1 4 . 1 1 127 127 ASP H H 127 8.548 8.548 8.872 -0.324 17604 2472 1 4 . 1 1 128 128 GLU N N 128 120.565 120.565 120.342 0.223 17604 2473 1 4 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.021 -0.068 17604 2474 1 4 . 1 1 128 128 GLU C C 128 179.945 179.945 178.224 1.721 17604 2475 1 4 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.066 0.490 17604 2476 1 4 . 1 1 128 128 GLU H H 128 8.311 8.311 8.376 -0.065 17604 2477 1 4 . 1 1 129 129 ALA N N 129 122.262 122.262 122.420 -0.158 17604 2478 1 4 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.926 0.082 17604 2479 1 4 . 1 1 129 129 ALA C C 129 178.673 178.673 179.550 -0.877 17604 2480 1 4 . 1 1 129 129 ALA H H 129 8.630 8.630 8.580 0.050 17604 2481 1 4 . 1 1 130 130 ALA N N 130 119.515 119.515 121.187 -1.672 17604 2482 1 4 . 1 1 130 130 ALA C C 130 179.789 179.789 179.641 0.148 17604 2483 1 4 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.157 0.534 17604 2484 1 4 . 1 1 130 130 ALA H H 130 8.263 8.263 8.066 0.197 17604 2485 1 4 . 1 1 131 131 VAL N N 131 117.584 117.584 118.950 -1.366 17604 2486 1 4 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.401 0.178 17604 2487 1 4 . 1 1 131 131 VAL C C 131 178.341 178.341 178.156 0.185 17604 2488 1 4 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.870 -0.748 17604 2489 1 4 . 1 1 131 131 VAL H H 131 7.883 7.883 8.246 -0.363 17604 2490 1 4 . 1 1 132 132 ASN N N 132 118.267 118.267 118.640 -0.373 17604 2491 1 4 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.445 -0.117 17604 2492 1 4 . 1 1 132 132 ASN C C 132 178.969 178.969 178.147 0.822 17604 2493 1 4 . 1 1 132 132 ASN CA C 132 56.825 56.825 56.278 0.548 17604 2494 1 4 . 1 1 133 133 LEU N N 133 121.157 121.157 120.014 1.143 17604 2495 1 4 . 1 1 133 133 LEU C C 133 179.658 179.658 179.624 0.034 17604 2496 1 4 . 1 1 133 133 LEU H H 133 8.868 8.868 8.024 0.844 17604 2497 1 4 . 1 1 134 134 ALA N N 134 121.551 121.551 122.021 -0.470 17604 2498 1 4 . 1 1 134 134 ALA C C 134 177.027 177.027 178.325 -1.298 17604 2499 1 4 . 1 1 134 134 ALA H H 134 7.720 7.720 7.970 -0.250 17604 2500 1 4 . 1 1 135 135 LYS N N 135 115.144 115.144 116.004 -0.860 17604 2501 1 4 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.315 0.092 17604 2502 1 4 . 1 1 135 135 LYS C C 135 176.809 176.809 176.251 0.558 17604 2503 1 4 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.046 -0.134 17604 2504 1 4 . 1 1 135 135 LYS H H 135 7.276 7.276 7.838 -0.562 17604 2505 1 4 . 1 1 136 136 SER N N 136 115.694 115.694 115.703 -0.009 17604 2506 1 4 . 1 1 136 136 SER HA H 136 4.427 4.427 4.674 -0.247 17604 2507 1 4 . 1 1 136 136 SER C C 136 174.351 174.351 175.451 -1.100 17604 2508 1 4 . 1 1 136 136 SER CA C 136 58.922 58.922 57.674 1.248 17604 2509 1 4 . 1 1 136 136 SER H H 136 7.550 7.550 7.649 -0.099 17604 2510 1 4 . 1 1 137 137 ARG N N 137 122.410 122.410 124.293 -1.883 17604 2511 1 4 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.139 0.109 17604 2512 1 4 . 1 1 137 137 ARG C C 137 178.462 178.462 177.806 0.656 17604 2513 1 4 . 1 1 137 137 ARG CA C 137 58.567 58.567 60.306 -1.739 17604 2514 1 4 . 1 1 137 137 ARG H H 137 8.694 8.694 9.066 -0.372 17604 2515 1 4 . 1 1 138 138 TRP N N 138 119.884 119.884 120.931 -1.047 17604 2516 1 4 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.431 -0.249 17604 2517 1 4 . 1 1 138 138 TRP C C 138 175.710 175.710 176.904 -1.194 17604 2518 1 4 . 1 1 138 138 TRP CA C 138 62.100 62.100 60.080 2.020 17604 2519 1 4 . 1 1 138 138 TRP H H 138 8.476 8.476 8.298 0.178 17604 2520 1 4 . 1 1 139 139 TYR N N 139 118.715 118.715 121.006 -2.291 17604 2521 1 4 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.887 -0.887 17604 2522 1 4 . 1 1 139 139 TYR C C 139 175.701 175.701 177.402 -1.701 17604 2523 1 4 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.478 -1.282 17604 2524 1 4 . 1 1 139 139 TYR H H 139 7.851 7.851 7.803 0.048 17604 2525 1 4 . 1 1 140 140 ASN N N 140 111.811 111.811 115.975 -4.164 17604 2526 1 4 . 1 1 140 140 ASN C C 140 176.521 176.521 177.101 -0.580 17604 2527 1 4 . 1 1 141 141 GLN N N 141 117.421 117.421 118.242 -0.821 17604 2528 1 4 . 1 1 141 141 GLN C C 141 176.598 176.598 176.648 -0.050 17604 2529 1 4 . 1 1 141 141 GLN H H 141 7.779 7.779 7.912 -0.133 17604 2530 1 4 . 1 1 142 142 THR N N 142 111.422 111.422 114.606 -3.184 17604 2531 1 4 . 1 1 142 142 THR H H 142 7.046 7.046 7.755 -0.709 17604 2532 1 4 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.915 0.029 17604 2533 1 4 . 1 1 143 143 PRO C C 143 178.463 178.463 177.522 0.941 17604 2534 1 4 . 1 1 144 144 ASN N N 144 116.489 116.489 118.720 -2.231 17604 2535 1 4 . 1 1 144 144 ASN C C 144 177.480 177.480 177.318 0.162 17604 2536 1 4 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.312 -0.208 17604 2537 1 4 . 1 1 144 144 ASN H H 144 8.194 8.194 8.438 -0.244 17604 2538 1 4 . 1 1 145 145 ARG N N 145 121.900 121.900 121.595 0.305 17604 2539 1 4 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.117 -0.215 17604 2540 1 4 . 1 1 145 145 ARG C C 145 176.937 176.937 177.854 -0.917 17604 2541 1 4 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.251 -1.690 17604 2542 1 4 . 1 1 145 145 ARG H H 145 7.854 7.854 8.028 -0.174 17604 2543 1 4 . 1 1 146 146 ALA N N 146 119.119 119.119 121.915 -2.796 17604 2544 1 4 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.283 -0.298 17604 2545 1 4 . 1 1 146 146 ALA C C 146 179.367 179.367 178.990 0.377 17604 2546 1 4 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.345 -0.059 17604 2547 1 4 . 1 1 146 146 ALA H H 146 8.439 8.439 7.981 0.458 17604 2548 1 4 . 1 1 147 147 LYS N N 147 116.600 116.600 119.034 -2.434 17604 2549 1 4 . 1 1 147 147 LYS C C 147 180.052 180.052 178.973 1.079 17604 2550 1 4 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.901 0.744 17604 2551 1 4 . 1 1 147 147 LYS H H 147 8.066 8.066 7.991 0.075 17604 2552 1 4 . 1 1 148 148 ARG N N 148 119.327 119.327 118.905 0.422 17604 2553 1 4 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.936 -0.162 17604 2554 1 4 . 1 1 148 148 ARG C C 148 180.211 180.211 178.983 1.228 17604 2555 1 4 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.354 1.062 17604 2556 1 4 . 1 1 148 148 ARG H H 148 7.489 7.489 7.687 -0.198 17604 2557 1 4 . 1 1 149 149 VAL N N 149 125.204 125.204 120.547 4.657 17604 2558 1 4 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.763 -0.374 17604 2559 1 4 . 1 1 149 149 VAL C C 149 178.523 178.523 178.287 0.236 17604 2560 1 4 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.628 1.667 17604 2561 1 4 . 1 1 149 149 VAL H H 149 8.876 8.876 7.919 0.957 17604 2562 1 4 . 1 1 150 150 ILE N N 150 121.036 121.036 120.941 0.095 17604 2563 1 4 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.923 -0.030 17604 2564 1 4 . 1 1 150 150 ILE C C 150 178.541 178.541 178.151 0.390 17604 2565 1 4 . 1 1 150 150 ILE H H 150 9.322 9.322 8.900 0.422 17604 2566 1 4 . 1 1 151 151 THR N N 151 117.932 117.932 116.793 1.139 17604 2567 1 4 . 1 1 151 151 THR C C 151 176.418 176.418 176.560 -0.142 17604 2568 1 4 . 1 1 151 151 THR CA C 151 67.495 67.495 67.644 -0.149 17604 2569 1 4 . 1 1 151 151 THR H H 151 8.382 8.382 8.524 -0.142 17604 2570 1 4 . 1 1 152 152 THR N N 152 121.769 121.769 119.752 2.017 17604 2571 1 4 . 1 1 152 152 THR HA H 152 4.117 4.117 4.194 -0.077 17604 2572 1 4 . 1 1 152 152 THR C C 152 176.328 176.328 176.306 0.022 17604 2573 1 4 . 1 1 152 152 THR CA C 152 67.646 67.646 66.881 0.765 17604 2574 1 4 . 1 1 152 152 THR H H 152 7.982 7.982 7.771 0.211 17604 2575 1 4 . 1 1 153 153 PHE N N 153 120.509 120.509 121.236 -0.727 17604 2576 1 4 . 1 1 153 153 PHE C C 153 177.848 177.848 177.387 0.461 17604 2577 1 4 . 1 1 153 153 PHE H H 153 8.410 8.410 8.246 0.164 17604 2578 1 4 . 1 1 154 154 ARG N N 154 117.947 117.947 119.652 -1.705 17604 2579 1 4 . 1 1 154 154 ARG C C 154 178.389 178.389 178.475 -0.086 17604 2580 1 4 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.901 -0.129 17604 2581 1 4 . 1 1 154 154 ARG H H 154 8.733 8.733 8.434 0.299 17604 2582 1 4 . 1 1 155 155 THR N N 155 105.055 105.055 108.861 -3.806 17604 2583 1 4 . 1 1 155 155 THR HA H 155 4.235 4.235 4.301 -0.066 17604 2584 1 4 . 1 1 155 155 THR C C 155 176.705 176.705 175.768 0.937 17604 2585 1 4 . 1 1 155 155 THR CA C 155 62.225 62.225 62.122 0.103 17604 2586 1 4 . 1 1 155 155 THR H H 155 8.219 8.219 7.910 0.309 17604 2587 1 4 . 1 1 156 156 GLY N N 156 111.712 111.712 112.335 -0.623 17604 2588 1 4 . 1 1 156 156 GLY C C 156 172.901 172.901 174.178 -1.277 17604 2589 1 4 . 1 1 156 156 GLY H H 156 8.500 8.500 8.022 0.478 17604 2590 1 4 . 1 1 157 157 THR N N 157 108.367 108.367 110.532 -2.165 17604 2591 1 4 . 1 1 157 157 THR HA H 157 4.646 4.646 4.378 0.268 17604 2592 1 4 . 1 1 157 157 THR C C 157 174.042 174.042 173.028 1.014 17604 2593 1 4 . 1 1 157 157 THR CA C 157 58.745 58.745 59.400 -0.655 17604 2594 1 4 . 1 1 157 157 THR H H 157 7.568 7.568 7.259 0.309 17604 2595 1 4 . 1 1 158 158 TRP N N 158 117.864 117.864 119.684 -1.820 17604 2596 1 4 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.934 0.090 17604 2597 1 4 . 1 1 158 158 TRP C C 158 178.088 178.088 176.853 1.235 17604 2598 1 4 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.454 -0.316 17604 2599 1 4 . 1 1 158 158 TRP H H 158 8.512 8.512 8.606 -0.094 17604 2600 1 4 . 1 1 159 159 ASP N N 159 119.522 119.522 122.123 -2.601 17604 2601 1 4 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.458 -0.262 17604 2602 1 4 . 1 1 159 159 ASP C C 159 177.430 177.430 178.081 -0.651 17604 2603 1 4 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.609 1.049 17604 2604 1 4 . 1 1 159 159 ASP H H 159 7.972 7.972 7.819 0.153 17604 2605 1 4 . 1 1 160 160 ALA N N 160 119.939 119.939 121.162 -1.223 17604 2606 1 4 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.177 -0.004 17604 2607 1 4 . 1 1 160 160 ALA C C 160 177.293 177.293 177.926 -0.633 17604 2608 1 4 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.655 -0.075 17604 2609 1 4 . 1 1 160 160 ALA H H 160 9.143 9.143 8.340 0.803 17604 2610 1 4 . 1 1 161 161 TYR N N 161 113.613 113.613 113.335 0.278 17604 2611 1 4 . 1 1 161 161 TYR C C 161 175.078 175.078 177.429 -2.351 17604 2612 1 4 . 1 1 161 161 TYR H H 161 8.071 8.071 8.013 0.058 17604 2613 1 4 . 1 1 162 162 LYS N N 162 119.559 119.559 120.351 -0.792 17604 2614 1 4 . 1 1 162 162 LYS C C 162 176.124 176.124 177.875 -1.751 17604 2615 1 4 . 1 1 162 162 LYS H H 162 7.266 7.266 7.668 -0.402 17604 2616 1 4 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 2617 1 4 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.681 -0.154 17604 2618 1 4 . 1 1 163 163 ASN C C 163 173.671 173.671 175.323 -1.652 17604 2619 1 4 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.505 0.536 17604 2620 1 4 . 1 1 163 163 ASN H H 163 8.629 8.629 8.406 0.223 17604 2621 1 5 . 1 1 2 2 ASN N N 2 115.717 115.717 119.818 -4.101 17604 2622 1 5 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.557 -0.046 17604 2623 1 5 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.024 0.401 17604 2624 1 5 . 1 1 2 2 ASN H H 2 6.884 6.884 7.742 -0.858 17604 2625 1 5 . 1 1 3 3 ILE N N 3 116.556 116.556 119.917 -3.361 17604 2626 1 5 . 1 1 3 3 ILE C C 3 174.025 174.025 176.401 -2.376 17604 2627 1 5 . 1 1 3 3 ILE H H 3 8.891 8.891 8.478 0.413 17604 2628 1 5 . 1 1 4 4 PHE N N 4 121.687 121.687 118.793 2.894 17604 2629 1 5 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.199 -0.121 17604 2630 1 5 . 1 1 4 4 PHE C C 4 177.177 177.177 178.079 -0.902 17604 2631 1 5 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.281 -1.682 17604 2632 1 5 . 1 1 4 4 PHE H H 4 7.295 7.295 8.038 -0.743 17604 2633 1 5 . 1 1 5 5 GLU N N 5 118.203 118.203 119.568 -1.365 17604 2634 1 5 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.903 -0.062 17604 2635 1 5 . 1 1 5 5 GLU C C 5 178.279 178.279 179.010 -0.731 17604 2636 1 5 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.159 -0.383 17604 2637 1 5 . 1 1 5 5 GLU H H 5 7.886 7.886 8.596 -0.710 17604 2638 1 5 . 1 1 6 6 MET N N 6 118.175 118.175 120.943 -2.768 17604 2639 1 5 . 1 1 6 6 MET HA H 6 3.243 3.243 3.748 -0.505 17604 2640 1 5 . 1 1 6 6 MET C C 6 177.116 177.116 178.015 -0.899 17604 2641 1 5 . 1 1 6 6 MET CA C 6 58.652 58.652 59.237 -0.585 17604 2642 1 5 . 1 1 7 7 LEU N N 7 116.108 116.108 118.701 -2.593 17604 2643 1 5 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.952 0.002 17604 2644 1 5 . 1 1 7 7 LEU C C 7 178.529 178.529 179.115 -0.586 17604 2645 1 5 . 1 1 7 7 LEU H H 7 8.029 8.029 8.223 -0.194 17604 2646 1 5 . 1 1 8 8 ARG N N 8 120.650 120.650 120.110 0.540 17604 2647 1 5 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.852 -0.289 17604 2648 1 5 . 1 1 8 8 ARG C C 8 180.117 180.117 178.759 1.358 17604 2649 1 5 . 1 1 8 8 ARG H H 8 8.121 8.121 8.118 0.003 17604 2650 1 5 . 1 1 9 9 ILE N N 9 120.885 120.885 118.628 2.257 17604 2651 1 5 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.774 -0.287 17604 2652 1 5 . 1 1 9 9 ILE C C 9 177.395 177.395 177.341 0.054 17604 2653 1 5 . 1 1 9 9 ILE H H 9 7.619 7.619 7.954 -0.335 17604 2654 1 5 . 1 1 10 10 ASP N N 10 117.684 117.684 117.814 -0.130 17604 2655 1 5 . 1 1 10 10 ASP C C 10 177.857 177.857 178.283 -0.426 17604 2656 1 5 . 1 1 10 10 ASP CA C 10 58.262 58.262 57.002 1.260 17604 2657 1 5 . 1 1 10 10 ASP H H 10 8.012 8.012 7.974 0.038 17604 2658 1 5 . 1 1 11 11 GLU N N 11 115.103 115.103 115.915 -0.812 17604 2659 1 5 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.579 -0.031 17604 2660 1 5 . 1 1 11 11 GLU C C 11 178.204 178.204 177.506 0.698 17604 2661 1 5 . 1 1 11 11 GLU CA C 11 55.407 55.407 56.155 -0.748 17604 2662 1 5 . 1 1 11 11 GLU H H 11 8.837 8.837 8.308 0.529 17604 2663 1 5 . 1 1 12 12 GLY N N 12 109.255 109.255 108.617 0.638 17604 2664 1 5 . 1 1 12 12 GLY C C 12 170.041 170.041 171.895 -1.854 17604 2665 1 5 . 1 1 13 13 LEU N N 13 117.280 117.280 121.465 -4.185 17604 2666 1 5 . 1 1 13 13 LEU C C 13 175.609 175.609 175.119 0.490 17604 2667 1 5 . 1 1 13 13 LEU H H 13 7.770 7.770 8.215 -0.445 17604 2668 1 5 . 1 1 14 14 ARG N N 14 126.444 126.444 125.084 1.360 17604 2669 1 5 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.657 0.008 17604 2670 1 5 . 1 1 14 14 ARG C C 14 175.900 175.900 175.903 -0.003 17604 2671 1 5 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.880 -0.789 17604 2672 1 5 . 1 1 14 14 ARG H H 14 8.272 8.272 8.229 0.043 17604 2673 1 5 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 2674 1 5 . 1 1 15 15 LEU C C 15 173.723 173.723 176.045 -2.322 17604 2675 1 5 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 2676 1 5 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 2677 1 5 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 2678 1 5 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 2679 1 5 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 2680 1 5 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 2681 1 5 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 2682 1 5 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.290 -0.157 17604 2683 1 5 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 2684 1 5 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 2685 1 5 . 1 1 18 18 TYR N N 18 127.713 127.713 125.979 1.734 17604 2686 1 5 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.116 -0.002 17604 2687 1 5 . 1 1 18 18 TYR C C 18 172.709 172.709 173.526 -0.817 17604 2688 1 5 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.294 -0.006 17604 2689 1 5 . 1 1 18 18 TYR H H 18 9.391 9.391 9.090 0.301 17604 2690 1 5 . 1 1 19 19 LYS N N 19 122.584 122.584 120.915 1.669 17604 2691 1 5 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.553 0.010 17604 2692 1 5 . 1 1 19 19 LYS C C 19 176.060 176.060 176.224 -0.164 17604 2693 1 5 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.006 0.019 17604 2694 1 5 . 1 1 19 19 LYS H H 19 8.342 8.342 8.415 -0.073 17604 2695 1 5 . 1 1 20 20 ASP N N 20 124.864 124.864 124.465 0.399 17604 2696 1 5 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.752 -0.181 17604 2697 1 5 . 1 1 20 20 ASP C C 20 178.088 178.088 178.323 -0.235 17604 2698 1 5 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.181 -0.461 17604 2699 1 5 . 1 1 20 20 ASP H H 20 8.509 8.509 8.838 -0.329 17604 2700 1 5 . 1 1 21 21 THR N N 21 110.253 110.253 109.478 0.775 17604 2701 1 5 . 1 1 21 21 THR HA H 21 3.978 3.978 4.028 -0.050 17604 2702 1 5 . 1 1 21 21 THR C C 21 175.847 175.847 175.598 0.249 17604 2703 1 5 . 1 1 21 21 THR CA C 21 65.115 65.115 64.712 0.403 17604 2704 1 5 . 1 1 21 21 THR H H 21 7.975 7.975 8.699 -0.724 17604 2705 1 5 . 1 1 22 22 GLU N N 22 120.058 120.058 119.817 0.241 17604 2706 1 5 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.221 -0.061 17604 2707 1 5 . 1 1 22 22 GLU C C 22 175.511 175.511 176.627 -1.116 17604 2708 1 5 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.823 0.149 17604 2709 1 5 . 1 1 23 23 GLY N N 23 106.801 106.801 106.749 0.052 17604 2710 1 5 . 1 1 23 23 GLY C C 23 173.498 173.498 174.055 -0.557 17604 2711 1 5 . 1 1 23 23 GLY H H 23 7.831 7.831 7.813 0.018 17604 2712 1 5 . 1 1 24 24 TYR N N 24 120.577 120.577 119.514 1.063 17604 2713 1 5 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.512 0.437 17604 2714 1 5 . 1 1 24 24 TYR C C 24 177.646 177.646 175.785 1.861 17604 2715 1 5 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.454 -1.749 17604 2716 1 5 . 1 1 24 24 TYR H H 24 8.190 8.190 8.074 0.116 17604 2717 1 5 . 1 1 25 25 TYR N N 25 122.599 122.599 123.192 -0.593 17604 2718 1 5 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.889 0.004 17604 2719 1 5 . 1 1 25 25 TYR C C 25 175.225 175.225 176.198 -0.973 17604 2720 1 5 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.010 -0.179 17604 2721 1 5 . 1 1 25 25 TYR H H 25 8.730 8.730 8.881 -0.151 17604 2722 1 5 . 1 1 26 26 THR N N 26 120.566 120.566 118.039 2.527 17604 2723 1 5 . 1 1 26 26 THR C C 26 170.704 170.704 172.604 -1.900 17604 2724 1 5 . 1 1 26 26 THR CA C 26 60.848 60.848 61.275 -0.427 17604 2725 1 5 . 1 1 26 26 THR H H 26 9.394 9.394 9.065 0.329 17604 2726 1 5 . 1 1 27 27 ILE N N 27 120.480 120.480 120.673 -0.193 17604 2727 1 5 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.514 0.121 17604 2728 1 5 . 1 1 27 27 ILE C C 27 172.588 172.588 174.632 -2.044 17604 2729 1 5 . 1 1 27 27 ILE H H 27 8.842 8.842 8.520 0.322 17604 2730 1 5 . 1 1 28 28 GLY N N 28 112.034 112.034 112.804 -0.770 17604 2731 1 5 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 2732 1 5 . 1 1 28 28 GLY H H 28 8.585 8.585 8.798 -0.213 17604 2733 1 5 . 1 1 29 29 ILE N N 29 134.307 134.307 125.121 9.186 17604 2734 1 5 . 1 1 29 29 ILE C C 29 176.641 176.641 176.633 0.008 17604 2735 1 5 . 1 1 29 29 ILE H H 29 10.269 10.269 8.648 1.621 17604 2736 1 5 . 1 1 30 30 GLY N N 30 107.697 107.697 112.459 -4.762 17604 2737 1 5 . 1 1 30 30 GLY C C 30 173.103 173.103 174.194 -1.091 17604 2738 1 5 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.060 0.587 17604 2739 1 5 . 1 1 30 30 GLY H H 30 8.159 8.159 8.395 -0.236 17604 2740 1 5 . 1 1 31 31 HIS N N 31 115.580 115.580 120.079 -4.499 17604 2741 1 5 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.592 -0.248 17604 2742 1 5 . 1 1 31 31 HIS C C 31 173.242 173.242 174.551 -1.309 17604 2743 1 5 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.821 1.836 17604 2744 1 5 . 1 1 31 31 HIS H H 31 8.274 8.274 8.399 -0.125 17604 2745 1 5 . 1 1 32 32 LEU N N 32 131.965 131.965 128.610 3.355 17604 2746 1 5 . 1 1 32 32 LEU C C 32 176.441 176.441 175.650 0.791 17604 2747 1 5 . 1 1 32 32 LEU H H 32 7.916 7.916 8.376 -0.460 17604 2748 1 5 . 1 1 33 33 LEU N N 33 125.891 125.891 126.331 -0.440 17604 2749 1 5 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.357 0.140 17604 2750 1 5 . 1 1 33 33 LEU C C 33 176.188 176.188 177.122 -0.934 17604 2751 1 5 . 1 1 33 33 LEU H H 33 9.078 9.078 8.778 0.300 17604 2752 1 5 . 1 1 34 34 THR N N 34 109.694 109.694 109.022 0.672 17604 2753 1 5 . 1 1 34 34 THR HA H 34 4.465 4.465 4.389 0.076 17604 2754 1 5 . 1 1 34 34 THR C C 34 171.627 171.627 172.301 -0.674 17604 2755 1 5 . 1 1 34 34 THR CA C 34 60.050 60.050 61.357 -1.307 17604 2756 1 5 . 1 1 34 34 THR H H 34 7.266 7.266 7.378 -0.112 17604 2757 1 5 . 1 1 35 35 LYS N N 35 124.851 124.851 122.564 2.287 17604 2758 1 5 . 1 1 35 35 LYS C C 35 176.730 176.730 176.757 -0.027 17604 2759 1 5 . 1 1 35 35 LYS H H 35 8.583 8.583 8.280 0.303 17604 2760 1 5 . 1 1 36 36 SER N N 36 119.457 119.457 117.700 1.757 17604 2761 1 5 . 1 1 36 36 SER H H 36 8.748 8.748 7.814 0.934 17604 2762 1 5 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.580 0.305 17604 2763 1 5 . 1 1 37 37 PRO C C 37 177.051 177.051 176.808 0.243 17604 2764 1 5 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.434 -0.205 17604 2765 1 5 . 1 1 38 38 SER N N 38 116.302 116.302 116.102 0.200 17604 2766 1 5 . 1 1 38 38 SER HA H 38 4.730 4.730 4.570 0.160 17604 2767 1 5 . 1 1 38 38 SER C C 38 174.400 174.400 175.311 -0.911 17604 2768 1 5 . 1 1 38 38 SER CA C 38 56.315 56.315 56.686 -0.371 17604 2769 1 5 . 1 1 38 38 SER H H 38 8.230 8.230 7.752 0.478 17604 2770 1 5 . 1 1 39 39 LEU N N 39 133.066 133.066 130.483 2.583 17604 2771 1 5 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.350 0.094 17604 2772 1 5 . 1 1 39 39 LEU C C 39 178.462 178.462 177.569 0.893 17604 2773 1 5 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 2774 1 5 . 1 1 40 40 ASN N N 40 116.781 116.781 117.514 -0.733 17604 2775 1 5 . 1 1 40 40 ASN C C 40 178.279 178.279 177.434 0.845 17604 2776 1 5 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 2777 1 5 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 2778 1 5 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.996 0.217 17604 2779 1 5 . 1 1 41 41 ALA C C 41 179.882 179.882 178.893 0.989 17604 2780 1 5 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.928 -0.215 17604 2781 1 5 . 1 1 41 41 ALA H H 41 7.746 7.746 7.593 0.153 17604 2782 1 5 . 1 1 42 42 ALA N N 42 120.972 120.972 121.296 -0.324 17604 2783 1 5 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.874 -0.133 17604 2784 1 5 . 1 1 42 42 ALA C C 42 178.822 178.822 179.452 -0.630 17604 2785 1 5 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.103 0.330 17604 2786 1 5 . 1 1 42 42 ALA H H 42 7.593 7.593 7.856 -0.263 17604 2787 1 5 . 1 1 43 43 LYS N N 43 117.113 117.113 118.135 -1.022 17604 2788 1 5 . 1 1 43 43 LYS C C 43 177.715 177.715 178.920 -1.205 17604 2789 1 5 . 1 1 43 43 LYS H H 43 8.400 8.400 8.250 0.150 17604 2790 1 5 . 1 1 44 44 SER N N 44 113.825 113.825 115.250 -1.425 17604 2791 1 5 . 1 1 44 44 SER C C 44 177.955 177.955 176.606 1.349 17604 2792 1 5 . 1 1 44 44 SER CA C 44 61.708 61.708 61.394 0.314 17604 2793 1 5 . 1 1 44 44 SER H H 44 7.927 7.927 8.145 -0.218 17604 2794 1 5 . 1 1 45 45 GLU N N 45 120.104 120.104 121.229 -1.125 17604 2795 1 5 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.041 0.080 17604 2796 1 5 . 1 1 45 45 GLU C C 45 179.367 179.367 179.148 0.219 17604 2797 1 5 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.996 -0.480 17604 2798 1 5 . 1 1 46 46 LEU N N 46 122.714 122.714 122.365 0.349 17604 2799 1 5 . 1 1 46 46 LEU C C 46 177.304 177.304 178.306 -1.002 17604 2800 1 5 . 1 1 46 46 LEU H H 46 8.304 8.304 8.315 -0.011 17604 2801 1 5 . 1 1 47 47 ASP N N 47 120.220 120.220 119.879 0.341 17604 2802 1 5 . 1 1 47 47 ASP C C 47 181.023 181.023 179.125 1.898 17604 2803 1 5 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.417 -0.151 17604 2804 1 5 . 1 1 47 47 ASP H H 47 8.651 8.651 8.424 0.227 17604 2805 1 5 . 1 1 48 48 LYS N N 48 120.884 120.884 120.004 0.880 17604 2806 1 5 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.052 17604 2807 1 5 . 1 1 48 48 LYS C C 48 178.238 178.238 178.304 -0.066 17604 2808 1 5 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.868 0.242 17604 2809 1 5 . 1 1 48 48 LYS H H 48 7.794 7.794 7.930 -0.136 17604 2810 1 5 . 1 1 49 49 ALA N N 49 121.076 121.076 121.928 -0.852 17604 2811 1 5 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.218 -0.052 17604 2812 1 5 . 1 1 49 49 ALA C C 49 179.471 179.471 179.196 0.275 17604 2813 1 5 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.552 -0.185 17604 2814 1 5 . 1 1 49 49 ALA H H 49 7.926 7.926 7.965 -0.039 17604 2815 1 5 . 1 1 50 50 ILE N N 50 114.845 114.845 115.946 -1.101 17604 2816 1 5 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.046 0.031 17604 2817 1 5 . 1 1 50 50 ILE C C 50 177.256 177.256 177.207 0.049 17604 2818 1 5 . 1 1 50 50 ILE H H 50 8.379 8.379 7.710 0.669 17604 2819 1 5 . 1 1 51 51 GLY N N 51 109.206 109.206 109.789 -0.583 17604 2820 1 5 . 1 1 51 51 GLY C C 51 173.731 173.731 173.776 -0.045 17604 2821 1 5 . 1 1 51 51 GLY H H 51 8.380 8.380 8.378 0.002 17604 2822 1 5 . 1 1 52 52 ARG N N 52 115.489 115.489 116.553 -1.064 17604 2823 1 5 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 2824 1 5 . 1 1 52 52 ARG C C 52 172.318 172.318 173.392 -1.074 17604 2825 1 5 . 1 1 52 52 ARG H H 52 7.656 7.656 7.630 0.026 17604 2826 1 5 . 1 1 53 53 ASN N N 53 115.422 115.422 120.469 -5.047 17604 2827 1 5 . 1 1 53 53 ASN C C 53 175.434 175.434 174.993 0.441 17604 2828 1 5 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 2829 1 5 . 1 1 54 54 THR N N 54 119.611 119.611 118.027 1.584 17604 2830 1 5 . 1 1 54 54 THR HA H 54 4.303 4.303 4.497 -0.194 17604 2831 1 5 . 1 1 54 54 THR C C 54 177.316 177.316 174.677 2.639 17604 2832 1 5 . 1 1 54 54 THR CA C 54 63.742 63.742 60.888 2.854 17604 2833 1 5 . 1 1 54 54 THR H H 54 9.079 9.079 8.767 0.312 17604 2834 1 5 . 1 1 55 55 ASN N N 55 120.102 120.102 118.444 1.658 17604 2835 1 5 . 1 1 55 55 ASN C C 55 175.771 175.771 175.669 0.102 17604 2836 1 5 . 1 1 55 55 ASN H H 55 9.477 9.477 8.341 1.136 17604 2837 1 5 . 1 1 56 56 GLY N N 56 102.932 102.932 108.251 -5.319 17604 2838 1 5 . 1 1 56 56 GLY C C 56 172.123 172.123 172.908 -0.785 17604 2839 1 5 . 1 1 56 56 GLY H H 56 8.688 8.688 7.797 0.891 17604 2840 1 5 . 1 1 57 57 VAL N N 57 120.312 120.312 118.571 1.741 17604 2841 1 5 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.291 -0.171 17604 2842 1 5 . 1 1 57 57 VAL C C 57 174.887 174.887 174.881 0.006 17604 2843 1 5 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.691 0.974 17604 2844 1 5 . 1 1 57 57 VAL H H 57 7.473 7.473 7.422 0.051 17604 2845 1 5 . 1 1 58 58 ILE N N 58 116.909 116.909 121.350 -4.441 17604 2846 1 5 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.092 -0.217 17604 2847 1 5 . 1 1 58 58 ILE C C 58 175.410 175.410 175.213 0.197 17604 2848 1 5 . 1 1 58 58 ILE H H 58 8.545 8.545 9.073 -0.528 17604 2849 1 5 . 1 1 59 59 THR N N 59 109.210 109.210 112.610 -3.400 17604 2850 1 5 . 1 1 59 59 THR HA H 59 4.619 4.619 4.660 -0.041 17604 2851 1 5 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 2852 1 5 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 2853 1 5 . 1 1 59 59 THR H H 59 8.694 8.694 9.055 -0.361 17604 2854 1 5 . 1 1 60 60 LYS N N 60 121.466 121.466 121.691 -0.225 17604 2855 1 5 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 2856 1 5 . 1 1 60 60 LYS C C 60 178.086 178.086 178.331 -0.245 17604 2857 1 5 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.462 0.395 17604 2858 1 5 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 2859 1 5 . 1 1 61 61 ASP N N 61 117.243 117.243 118.406 -1.163 17604 2860 1 5 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.408 -0.058 17604 2861 1 5 . 1 1 61 61 ASP C C 61 179.628 179.628 179.025 0.603 17604 2862 1 5 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.523 -0.329 17604 2863 1 5 . 1 1 61 61 ASP H H 61 8.252 8.252 8.533 -0.281 17604 2864 1 5 . 1 1 62 62 GLU N N 62 121.473 121.473 120.194 1.279 17604 2865 1 5 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.065 -0.182 17604 2866 1 5 . 1 1 62 62 GLU C C 62 178.781 178.781 178.823 -0.042 17604 2867 1 5 . 1 1 62 62 GLU H H 62 7.713 7.713 7.900 -0.187 17604 2868 1 5 . 1 1 63 63 ALA N N 63 121.213 121.213 122.793 -1.580 17604 2869 1 5 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.950 -0.056 17604 2870 1 5 . 1 1 63 63 ALA C C 63 180.801 180.801 179.762 1.039 17604 2871 1 5 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.687 -0.583 17604 2872 1 5 . 1 1 63 63 ALA H H 63 8.564 8.564 8.396 0.168 17604 2873 1 5 . 1 1 64 64 GLU N N 64 119.853 119.853 118.217 1.636 17604 2874 1 5 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 2875 1 5 . 1 1 64 64 GLU C C 64 177.889 177.889 178.922 -1.033 17604 2876 1 5 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.419 0.873 17604 2877 1 5 . 1 1 64 64 GLU H H 64 8.423 8.423 8.388 0.035 17604 2878 1 5 . 1 1 65 65 LYS N N 65 122.118 122.118 121.367 0.751 17604 2879 1 5 . 1 1 65 65 LYS C C 65 179.896 179.896 179.004 0.892 17604 2880 1 5 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.639 0.049 17604 2881 1 5 . 1 1 65 65 LYS H H 65 7.893 7.893 8.005 -0.112 17604 2882 1 5 . 1 1 66 66 LEU N N 66 118.262 118.262 119.311 -1.049 17604 2883 1 5 . 1 1 66 66 LEU C C 66 177.988 177.988 179.091 -1.103 17604 2884 1 5 . 1 1 66 66 LEU H H 66 7.705 7.705 8.095 -0.390 17604 2885 1 5 . 1 1 67 67 PHE N N 67 118.838 118.838 120.239 -1.401 17604 2886 1 5 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.272 0.996 17604 2887 1 5 . 1 1 67 67 PHE C C 67 177.256 177.256 177.534 -0.278 17604 2888 1 5 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.852 -1.163 17604 2889 1 5 . 1 1 67 67 PHE H H 67 8.060 8.060 8.458 -0.398 17604 2890 1 5 . 1 1 68 68 ASN N N 68 117.691 117.691 117.403 0.288 17604 2891 1 5 . 1 1 68 68 ASN C C 68 178.790 178.790 177.568 1.222 17604 2892 1 5 . 1 1 68 68 ASN H H 68 8.473 8.473 8.567 -0.094 17604 2893 1 5 . 1 1 69 69 GLN N N 69 118.450 118.450 119.180 -0.730 17604 2894 1 5 . 1 1 69 69 GLN C C 69 178.971 178.971 178.439 0.532 17604 2895 1 5 . 1 1 69 69 GLN H H 69 7.788 7.788 8.084 -0.296 17604 2896 1 5 . 1 1 70 70 ASP N N 70 123.108 123.108 120.928 2.180 17604 2897 1 5 . 1 1 70 70 ASP C C 70 179.925 179.925 178.952 0.973 17604 2898 1 5 . 1 1 70 70 ASP H H 70 8.857 8.857 8.451 0.406 17604 2899 1 5 . 1 1 71 71 VAL N N 71 125.622 125.622 120.684 4.938 17604 2900 1 5 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.446 0.145 17604 2901 1 5 . 1 1 71 71 VAL C C 71 177.173 177.173 177.539 -0.366 17604 2902 1 5 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.760 1.629 17604 2903 1 5 . 1 1 71 71 VAL H H 71 9.017 9.017 8.333 0.684 17604 2904 1 5 . 1 1 72 72 ASP N N 72 118.829 118.829 119.973 -1.144 17604 2905 1 5 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.238 0.115 17604 2906 1 5 . 1 1 72 72 ASP C C 72 178.629 178.629 178.178 0.451 17604 2907 1 5 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.294 0.331 17604 2908 1 5 . 1 1 72 72 ASP H H 72 7.605 7.605 8.134 -0.529 17604 2909 1 5 . 1 1 73 73 ALA N N 73 119.829 119.829 121.701 -1.872 17604 2910 1 5 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.027 0.001 17604 2911 1 5 . 1 1 73 73 ALA C C 73 180.382 180.382 179.550 0.832 17604 2912 1 5 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.046 0.093 17604 2913 1 5 . 1 1 73 73 ALA H H 73 8.344 8.344 8.242 0.102 17604 2914 1 5 . 1 1 74 74 ALA N N 74 123.039 123.039 121.994 1.045 17604 2915 1 5 . 1 1 74 74 ALA HA H 74 4.167 4.167 4.027 0.140 17604 2916 1 5 . 1 1 74 74 ALA C C 74 179.701 179.701 179.625 0.076 17604 2917 1 5 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.828 -0.157 17604 2918 1 5 . 1 1 74 74 ALA H H 74 7.877 7.877 7.714 0.163 17604 2919 1 5 . 1 1 75 75 VAL H H 75 8.180 8.180 7.873 0.307 17604 2920 1 5 . 1 1 76 76 ARG N N 76 117.752 117.752 119.913 -2.161 17604 2921 1 5 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.904 -0.089 17604 2922 1 5 . 1 1 76 76 ARG C C 76 178.843 178.843 178.667 0.176 17604 2923 1 5 . 1 1 76 76 ARG H H 76 8.416 8.416 8.626 -0.210 17604 2924 1 5 . 1 1 77 77 GLY N N 77 105.782 105.782 106.958 -1.176 17604 2925 1 5 . 1 1 77 77 GLY C C 77 176.137 176.137 176.049 0.088 17604 2926 1 5 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.796 -0.739 17604 2927 1 5 . 1 1 77 77 GLY H H 77 8.010 8.010 8.112 -0.102 17604 2928 1 5 . 1 1 78 78 ILE N N 78 121.765 121.765 122.049 -0.284 17604 2929 1 5 . 1 1 78 78 ILE C C 78 177.166 177.166 178.269 -1.103 17604 2930 1 5 . 1 1 78 78 ILE H H 78 7.502 7.502 7.741 -0.239 17604 2931 1 5 . 1 1 79 79 LEU N N 79 115.166 115.166 117.795 -2.629 17604 2932 1 5 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.021 -0.194 17604 2933 1 5 . 1 1 79 79 LEU C C 79 178.804 178.804 178.113 0.691 17604 2934 1 5 . 1 1 79 79 LEU H H 79 7.903 7.903 8.035 -0.132 17604 2935 1 5 . 1 1 80 80 ARG N N 80 114.734 114.734 114.607 0.127 17604 2936 1 5 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.314 0.013 17604 2937 1 5 . 1 1 80 80 ARG C C 80 175.118 175.118 175.793 -0.675 17604 2938 1 5 . 1 1 80 80 ARG H H 80 7.707 7.707 7.644 0.063 17604 2939 1 5 . 1 1 81 81 ASN N N 81 120.809 120.809 118.736 2.073 17604 2940 1 5 . 1 1 81 81 ASN C C 81 174.581 174.581 175.219 -0.638 17604 2941 1 5 . 1 1 81 81 ASN H H 81 7.498 7.498 7.508 -0.010 17604 2942 1 5 . 1 1 82 82 ALA N N 82 127.902 127.902 129.609 -1.707 17604 2943 1 5 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.170 -0.091 17604 2944 1 5 . 1 1 82 82 ALA C C 82 178.943 178.943 178.568 0.375 17604 2945 1 5 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.560 0.287 17604 2946 1 5 . 1 1 82 82 ALA H H 82 8.849 8.849 8.974 -0.125 17604 2947 1 5 . 1 1 83 83 LYS N N 83 114.166 114.166 117.392 -3.226 17604 2948 1 5 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.238 0.051 17604 2949 1 5 . 1 1 83 83 LYS C C 83 177.907 177.907 178.642 -0.735 17604 2950 1 5 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.552 -1.212 17604 2951 1 5 . 1 1 83 83 LYS H H 83 8.060 8.060 8.215 -0.155 17604 2952 1 5 . 1 1 84 84 LEU N N 84 116.412 116.412 120.349 -3.937 17604 2953 1 5 . 1 1 84 84 LEU C C 84 178.335 178.335 178.249 0.086 17604 2954 1 5 . 1 1 84 84 LEU H H 84 7.531 7.531 8.466 -0.935 17604 2955 1 5 . 1 1 85 85 LYS N N 85 121.080 121.080 120.624 0.456 17604 2956 1 5 . 1 1 85 85 LYS H H 85 8.462 8.462 8.396 0.066 17604 2957 1 5 . 1 1 86 86 PRO C C 86 179.959 179.959 179.199 0.760 17604 2958 1 5 . 1 1 87 87 VAL N N 87 115.566 115.566 118.683 -3.117 17604 2959 1 5 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.765 -0.021 17604 2960 1 5 . 1 1 87 87 VAL C C 87 178.545 178.545 178.276 0.269 17604 2961 1 5 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.284 -0.780 17604 2962 1 5 . 1 1 87 87 VAL H H 87 6.893 6.893 7.282 -0.389 17604 2963 1 5 . 1 1 88 88 TYR N N 88 122.544 122.544 121.222 1.322 17604 2964 1 5 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.126 -0.227 17604 2965 1 5 . 1 1 88 88 TYR C C 88 177.722 177.722 178.195 -0.473 17604 2966 1 5 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.986 0.875 17604 2967 1 5 . 1 1 88 88 TYR H H 88 8.457 8.457 8.695 -0.238 17604 2968 1 5 . 1 1 89 89 ASP N N 89 117.217 117.217 117.613 -0.396 17604 2969 1 5 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.357 -0.036 17604 2970 1 5 . 1 1 89 89 ASP C C 89 177.849 177.849 178.438 -0.589 17604 2971 1 5 . 1 1 89 89 ASP H H 89 9.103 9.103 8.923 0.180 17604 2972 1 5 . 1 1 90 90 SER N N 90 113.279 113.279 114.070 -0.791 17604 2973 1 5 . 1 1 90 90 SER HA H 90 4.424 4.424 4.339 0.085 17604 2974 1 5 . 1 1 90 90 SER C C 90 174.362 174.362 175.020 -0.658 17604 2975 1 5 . 1 1 90 90 SER CA C 90 59.655 59.655 59.554 0.101 17604 2976 1 5 . 1 1 90 90 SER H H 90 7.365 7.365 7.641 -0.276 17604 2977 1 5 . 1 1 91 91 LEU N N 91 123.395 123.395 123.676 -0.281 17604 2978 1 5 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.507 -0.083 17604 2979 1 5 . 1 1 91 91 LEU C C 91 176.268 176.268 176.799 -0.531 17604 2980 1 5 . 1 1 91 91 LEU H H 91 7.458 7.458 7.355 0.103 17604 2981 1 5 . 1 1 92 92 ASP N N 92 115.456 115.456 121.989 -6.533 17604 2982 1 5 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.477 0.146 17604 2983 1 5 . 1 1 92 92 ASP C C 92 175.560 175.560 176.711 -1.151 17604 2984 1 5 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.964 -1.788 17604 2985 1 5 . 1 1 92 92 ASP H H 92 7.401 7.401 8.451 -1.050 17604 2986 1 5 . 1 1 93 93 ALA N N 93 119.761 119.761 122.079 -2.318 17604 2987 1 5 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.041 -0.244 17604 2988 1 5 . 1 1 93 93 ALA C C 93 179.896 179.896 179.750 0.146 17604 2989 1 5 . 1 1 93 93 ALA H H 93 8.687 8.687 8.537 0.150 17604 2990 1 5 . 1 1 94 94 VAL N N 94 118.785 118.785 118.194 0.591 17604 2991 1 5 . 1 1 94 94 VAL C C 94 177.307 177.307 177.855 -0.548 17604 2992 1 5 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.779 0.166 17604 2993 1 5 . 1 1 94 94 VAL H H 94 7.822 7.822 7.583 0.239 17604 2994 1 5 . 1 1 95 95 ARG N N 95 119.046 119.046 118.647 0.399 17604 2995 1 5 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.654 -0.075 17604 2996 1 5 . 1 1 95 95 ARG C C 95 178.424 178.424 178.729 -0.305 17604 2997 1 5 . 1 1 95 95 ARG H H 95 7.766 7.766 8.102 -0.336 17604 2998 1 5 . 1 1 96 96 ARG N N 96 118.034 118.034 119.580 -1.546 17604 2999 1 5 . 1 1 96 96 ARG C C 96 177.930 177.930 178.394 -0.464 17604 3000 1 5 . 1 1 96 96 ARG H H 96 8.629 8.629 8.390 0.239 17604 3001 1 5 . 1 1 97 97 ALA N N 97 119.949 119.949 121.289 -1.340 17604 3002 1 5 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.002 0.066 17604 3003 1 5 . 1 1 97 97 ALA C C 97 178.702 178.702 178.935 -0.233 17604 3004 1 5 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.068 0.300 17604 3005 1 5 . 1 1 97 97 ALA H H 97 7.028 7.028 7.442 -0.414 17604 3006 1 5 . 1 1 98 98 ALA N N 98 118.852 118.852 120.949 -2.097 17604 3007 1 5 . 1 1 98 98 ALA C C 98 177.525 177.525 179.091 -1.566 17604 3008 1 5 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.481 0.841 17604 3009 1 5 . 1 1 98 98 ALA H H 98 7.200 7.200 7.200 -0.000 17604 3010 1 5 . 1 1 99 99 ALA N N 99 119.728 119.728 121.553 -1.825 17604 3011 1 5 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.167 -0.633 17604 3012 1 5 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.090 0.506 17604 3013 1 5 . 1 1 99 99 ALA H H 99 7.795 7.795 7.625 0.170 17604 3014 1 5 . 1 1 100 100 ILE N N 100 116.243 116.243 117.826 -1.583 17604 3015 1 5 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.607 -0.156 17604 3016 1 5 . 1 1 100 100 ILE C C 100 176.994 176.994 178.642 -1.648 17604 3017 1 5 . 1 1 100 100 ILE H H 100 8.093 8.093 8.249 -0.156 17604 3018 1 5 . 1 1 101 101 ASN N N 101 116.433 116.433 118.268 -1.835 17604 3019 1 5 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.442 -0.184 17604 3020 1 5 . 1 1 101 101 ASN C C 101 177.449 177.449 177.637 -0.188 17604 3021 1 5 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.843 0.983 17604 3022 1 5 . 1 1 101 101 ASN H H 101 8.097 8.097 7.801 0.296 17604 3023 1 5 . 1 1 102 102 MET N N 102 113.936 113.936 115.580 -1.644 17604 3024 1 5 . 1 1 102 102 MET HA H 102 3.657 3.657 3.992 -0.335 17604 3025 1 5 . 1 1 102 102 MET CA C 102 61.050 61.050 55.210 5.840 17604 3026 1 5 . 1 1 102 102 MET H H 102 7.719 7.719 7.528 0.191 17604 3027 1 5 . 1 1 103 103 VAL N N 103 105.507 105.507 109.966 -4.459 17604 3028 1 5 . 1 1 103 103 VAL C C 103 175.510 175.510 174.437 1.073 17604 3029 1 5 . 1 1 103 103 VAL CA C 103 61.665 61.665 60.026 1.639 17604 3030 1 5 . 1 1 103 103 VAL H H 103 7.320 7.320 6.979 0.341 17604 3031 1 5 . 1 1 104 104 PHE N N 104 126.466 126.466 124.195 2.271 17604 3032 1 5 . 1 1 104 104 PHE C C 104 176.939 176.939 174.691 2.248 17604 3033 1 5 . 1 1 104 104 PHE H H 104 7.877 7.877 7.380 0.497 17604 3034 1 5 . 1 1 105 105 GLN N N 105 119.920 119.920 121.646 -1.726 17604 3035 1 5 . 1 1 105 105 GLN C C 105 174.943 174.943 174.445 0.498 17604 3036 1 5 . 1 1 105 105 GLN H H 105 8.540 8.540 8.305 0.235 17604 3037 1 5 . 1 1 106 106 MET N N 106 117.242 117.242 118.384 -1.142 17604 3038 1 5 . 1 1 106 106 MET HA H 106 4.146 4.146 4.693 -0.547 17604 3039 1 5 . 1 1 106 106 MET C C 106 177.126 177.126 176.718 0.408 17604 3040 1 5 . 1 1 106 106 MET CA C 106 54.786 54.786 54.004 0.782 17604 3041 1 5 . 1 1 106 106 MET H H 106 8.869 8.869 7.417 1.452 17604 3042 1 5 . 1 1 107 107 GLY N N 107 107.963 107.963 108.838 -0.875 17604 3043 1 5 . 1 1 107 107 GLY C C 107 174.858 174.858 174.771 0.087 17604 3044 1 5 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.389 1.709 17604 3045 1 5 . 1 1 107 107 GLY H H 107 7.819 7.819 8.569 -0.750 17604 3046 1 5 . 1 1 108 108 GLU N N 108 122.988 122.988 120.993 1.995 17604 3047 1 5 . 1 1 108 108 GLU C C 108 179.500 179.500 178.934 0.566 17604 3048 1 5 . 1 1 108 108 GLU H H 108 8.778 8.778 8.982 -0.204 17604 3049 1 5 . 1 1 109 109 THR N N 109 112.024 112.024 115.168 -3.144 17604 3050 1 5 . 1 1 109 109 THR HA H 109 4.193 4.193 4.208 -0.015 17604 3051 1 5 . 1 1 109 109 THR C C 109 178.149 178.149 176.494 1.655 17604 3052 1 5 . 1 1 109 109 THR CA C 109 65.018 65.018 66.701 -1.683 17604 3053 1 5 . 1 1 109 109 THR H H 109 8.617 8.617 8.245 0.372 17604 3054 1 5 . 1 1 110 110 GLY N N 110 116.155 116.155 109.921 6.234 17604 3055 1 5 . 1 1 110 110 GLY C C 110 175.727 175.727 175.991 -0.264 17604 3056 1 5 . 1 1 110 110 GLY H H 110 8.631 8.631 8.294 0.337 17604 3057 1 5 . 1 1 111 111 VAL N N 111 120.428 120.428 123.367 -2.939 17604 3058 1 5 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.737 -0.101 17604 3059 1 5 . 1 1 111 111 VAL C C 111 179.055 179.055 178.075 0.980 17604 3060 1 5 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.043 1.085 17604 3061 1 5 . 1 1 111 111 VAL H H 111 8.073 8.073 8.078 -0.005 17604 3062 1 5 . 1 1 112 112 ALA N N 112 124.050 124.050 122.743 1.307 17604 3063 1 5 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.182 0.033 17604 3064 1 5 . 1 1 112 112 ALA C C 112 180.059 180.059 180.037 0.022 17604 3065 1 5 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.184 0.236 17604 3066 1 5 . 1 1 112 112 ALA H H 112 8.297 8.297 8.401 -0.104 17604 3067 1 5 . 1 1 113 113 GLY N N 113 105.820 105.820 106.547 -0.727 17604 3068 1 5 . 1 1 113 113 GLY C C 113 175.656 175.656 175.802 -0.146 17604 3069 1 5 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.639 0.379 17604 3070 1 5 . 1 1 113 113 GLY H H 113 8.218 8.218 8.144 0.074 17604 3071 1 5 . 1 1 114 114 PHE N N 114 122.441 122.441 122.319 0.122 17604 3072 1 5 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.425 -0.217 17604 3073 1 5 . 1 1 114 114 PHE C C 114 177.316 177.316 177.628 -0.312 17604 3074 1 5 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.176 -0.302 17604 3075 1 5 . 1 1 114 114 PHE H H 114 8.111 8.111 7.849 0.262 17604 3076 1 5 . 1 1 115 115 THR N N 115 114.602 114.602 113.575 1.027 17604 3077 1 5 . 1 1 115 115 THR C C 115 176.611 176.611 176.708 -0.097 17604 3078 1 5 . 1 1 115 115 THR CA C 115 66.636 66.636 65.406 1.230 17604 3079 1 5 . 1 1 115 115 THR H H 115 8.378 8.378 8.538 -0.160 17604 3080 1 5 . 1 1 116 116 ASN N N 116 119.071 119.071 119.611 -0.540 17604 3081 1 5 . 1 1 116 116 ASN H H 116 8.276 8.276 7.767 0.509 17604 3082 1 5 . 1 1 117 117 SER C C 117 174.833 174.833 173.948 0.885 17604 3083 1 5 . 1 1 118 118 LEU N N 118 121.114 121.114 121.892 -0.778 17604 3084 1 5 . 1 1 118 118 LEU HA H 118 4.172 4.172 4.023 0.149 17604 3085 1 5 . 1 1 118 118 LEU C C 118 177.954 177.954 177.982 -0.028 17604 3086 1 5 . 1 1 118 118 LEU H H 118 7.336 7.336 7.581 -0.245 17604 3087 1 5 . 1 1 119 119 ARG N N 119 117.315 117.315 119.200 -1.885 17604 3088 1 5 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.860 0.191 17604 3089 1 5 . 1 1 119 119 ARG C C 119 178.720 178.720 177.948 0.772 17604 3090 1 5 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.394 -0.773 17604 3091 1 5 . 1 1 119 119 ARG H H 119 8.329 8.329 8.386 -0.057 17604 3092 1 5 . 1 1 120 120 MET N N 120 115.507 115.507 116.501 -0.994 17604 3093 1 5 . 1 1 120 120 MET HA H 120 3.969 3.969 4.157 -0.188 17604 3094 1 5 . 1 1 120 120 MET C C 120 178.161 178.161 178.525 -0.364 17604 3095 1 5 . 1 1 120 120 MET CA C 120 59.029 59.029 57.866 1.163 17604 3096 1 5 . 1 1 120 120 MET H H 120 7.408 7.408 7.991 -0.583 17604 3097 1 5 . 1 1 121 121 LEU N N 121 117.639 117.639 119.436 -1.797 17604 3098 1 5 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.955 -0.102 17604 3099 1 5 . 1 1 121 121 LEU C C 121 179.852 179.852 179.810 0.042 17604 3100 1 5 . 1 1 121 121 LEU H H 121 7.681 7.681 7.852 -0.171 17604 3101 1 5 . 1 1 122 122 GLN N N 122 120.423 120.423 119.654 0.769 17604 3102 1 5 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.031 -0.086 17604 3103 1 5 . 1 1 122 122 GLN C C 122 176.976 176.976 177.810 -0.834 17604 3104 1 5 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.240 1.150 17604 3105 1 5 . 1 1 122 122 GLN H H 122 8.689 8.689 8.234 0.455 17604 3106 1 5 . 1 1 123 123 GLN N N 123 113.631 113.631 115.633 -2.002 17604 3107 1 5 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.211 -0.139 17604 3108 1 5 . 1 1 123 123 GLN C C 123 174.455 174.455 175.074 -0.619 17604 3109 1 5 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.584 -0.404 17604 3110 1 5 . 1 1 123 123 GLN H H 123 7.251 7.251 7.530 -0.279 17604 3111 1 5 . 1 1 124 124 LYS N N 124 114.745 114.745 114.519 0.226 17604 3112 1 5 . 1 1 124 124 LYS C C 124 174.910 174.910 175.152 -0.242 17604 3113 1 5 . 1 1 124 124 LYS H H 124 7.291 7.291 7.381 -0.090 17604 3114 1 5 . 1 1 125 125 ARG N N 125 119.533 119.533 118.658 0.875 17604 3115 1 5 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.181 0.056 17604 3116 1 5 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 3117 1 5 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.543 -0.357 17604 3118 1 5 . 1 1 125 125 ARG H H 125 7.715 7.715 7.870 -0.155 17604 3119 1 5 . 1 1 126 126 TRP N N 126 119.232 119.232 123.555 -4.323 17604 3120 1 5 . 1 1 126 126 TRP C C 126 178.891 178.891 177.723 1.168 17604 3121 1 5 . 1 1 126 126 TRP H H 126 6.888 6.888 7.446 -0.558 17604 3122 1 5 . 1 1 127 127 ASP N N 127 116.481 116.481 117.790 -1.309 17604 3123 1 5 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.414 0.002 17604 3124 1 5 . 1 1 127 127 ASP C C 127 178.854 178.854 178.544 0.310 17604 3125 1 5 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.991 -0.301 17604 3126 1 5 . 1 1 127 127 ASP H H 127 8.548 8.548 8.855 -0.307 17604 3127 1 5 . 1 1 128 128 GLU N N 128 120.565 120.565 120.334 0.231 17604 3128 1 5 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.032 -0.079 17604 3129 1 5 . 1 1 128 128 GLU C C 128 179.945 179.945 178.244 1.701 17604 3130 1 5 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.110 0.446 17604 3131 1 5 . 1 1 128 128 GLU H H 128 8.311 8.311 8.371 -0.060 17604 3132 1 5 . 1 1 129 129 ALA N N 129 122.262 122.262 122.021 0.241 17604 3133 1 5 . 1 1 129 129 ALA HA H 129 4.008 4.008 4.000 0.008 17604 3134 1 5 . 1 1 129 129 ALA C C 129 178.673 178.673 179.706 -1.033 17604 3135 1 5 . 1 1 129 129 ALA H H 129 8.630 8.630 8.543 0.087 17604 3136 1 5 . 1 1 130 130 ALA N N 130 119.515 119.515 121.061 -1.546 17604 3137 1 5 . 1 1 130 130 ALA C C 130 179.789 179.789 179.741 0.048 17604 3138 1 5 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.112 0.579 17604 3139 1 5 . 1 1 130 130 ALA H H 130 8.263 8.263 8.033 0.230 17604 3140 1 5 . 1 1 131 131 VAL N N 131 117.584 117.584 118.159 -0.575 17604 3141 1 5 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.501 0.078 17604 3142 1 5 . 1 1 131 131 VAL C C 131 178.341 178.341 178.947 -0.606 17604 3143 1 5 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.532 -0.410 17604 3144 1 5 . 1 1 131 131 VAL H H 131 7.883 7.883 8.194 -0.311 17604 3145 1 5 . 1 1 132 132 ASN N N 132 118.267 118.267 118.910 -0.643 17604 3146 1 5 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.519 -0.191 17604 3147 1 5 . 1 1 132 132 ASN C C 132 178.969 178.969 178.145 0.824 17604 3148 1 5 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.721 1.104 17604 3149 1 5 . 1 1 133 133 LEU N N 133 121.157 121.157 119.337 1.820 17604 3150 1 5 . 1 1 133 133 LEU C C 133 179.658 179.658 178.081 1.577 17604 3151 1 5 . 1 1 133 133 LEU H H 133 8.868 8.868 8.359 0.509 17604 3152 1 5 . 1 1 134 134 ALA N N 134 121.551 121.551 118.638 2.913 17604 3153 1 5 . 1 1 134 134 ALA C C 134 177.027 177.027 177.120 -0.093 17604 3154 1 5 . 1 1 134 134 ALA H H 134 7.720 7.720 7.216 0.504 17604 3155 1 5 . 1 1 135 135 LYS N N 135 115.144 115.144 117.043 -1.899 17604 3156 1 5 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.421 -0.014 17604 3157 1 5 . 1 1 135 135 LYS C C 135 176.809 176.809 176.580 0.229 17604 3158 1 5 . 1 1 135 135 LYS CA C 135 55.912 55.912 55.549 0.363 17604 3159 1 5 . 1 1 135 135 LYS H H 135 7.276 7.276 7.451 -0.175 17604 3160 1 5 . 1 1 136 136 SER N N 136 115.694 115.694 115.434 0.260 17604 3161 1 5 . 1 1 136 136 SER HA H 136 4.427 4.427 4.555 -0.128 17604 3162 1 5 . 1 1 136 136 SER C C 136 174.351 174.351 175.308 -0.957 17604 3163 1 5 . 1 1 136 136 SER CA C 136 58.922 58.922 57.472 1.450 17604 3164 1 5 . 1 1 136 136 SER H H 136 7.550 7.550 7.607 -0.057 17604 3165 1 5 . 1 1 137 137 ARG N N 137 122.410 122.410 123.075 -0.665 17604 3166 1 5 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.193 0.055 17604 3167 1 5 . 1 1 137 137 ARG C C 137 178.462 178.462 177.703 0.759 17604 3168 1 5 . 1 1 137 137 ARG CA C 137 58.567 58.567 58.887 -0.320 17604 3169 1 5 . 1 1 137 137 ARG H H 137 8.694 8.694 9.203 -0.509 17604 3170 1 5 . 1 1 138 138 TRP N N 138 119.884 119.884 120.546 -0.662 17604 3171 1 5 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.406 -0.224 17604 3172 1 5 . 1 1 138 138 TRP C C 138 175.710 175.710 177.586 -1.876 17604 3173 1 5 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.725 2.375 17604 3174 1 5 . 1 1 138 138 TRP H H 138 8.476 8.476 8.340 0.136 17604 3175 1 5 . 1 1 139 139 TYR N N 139 118.715 118.715 119.041 -0.326 17604 3176 1 5 . 1 1 139 139 TYR HA H 139 3.000 3.000 4.033 -1.033 17604 3177 1 5 . 1 1 139 139 TYR C C 139 175.701 175.701 176.869 -1.168 17604 3178 1 5 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.157 -0.961 17604 3179 1 5 . 1 1 139 139 TYR H H 139 7.851 7.851 7.649 0.202 17604 3180 1 5 . 1 1 140 140 ASN N N 140 111.811 111.811 117.580 -5.769 17604 3181 1 5 . 1 1 140 140 ASN C C 140 176.521 176.521 176.619 -0.098 17604 3182 1 5 . 1 1 141 141 GLN N N 141 117.421 117.421 117.074 0.347 17604 3183 1 5 . 1 1 141 141 GLN C C 141 176.598 176.598 176.689 -0.091 17604 3184 1 5 . 1 1 141 141 GLN H H 141 7.779 7.779 8.089 -0.310 17604 3185 1 5 . 1 1 142 142 THR N N 142 111.422 111.422 109.467 1.955 17604 3186 1 5 . 1 1 142 142 THR H H 142 7.046 7.046 7.742 -0.696 17604 3187 1 5 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.550 0.394 17604 3188 1 5 . 1 1 143 143 PRO C C 143 178.463 178.463 178.027 0.436 17604 3189 1 5 . 1 1 144 144 ASN N N 144 116.489 116.489 116.583 -0.094 17604 3190 1 5 . 1 1 144 144 ASN C C 144 177.480 177.480 177.620 -0.140 17604 3191 1 5 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.102 0.002 17604 3192 1 5 . 1 1 144 144 ASN H H 144 8.194 8.194 8.706 -0.512 17604 3193 1 5 . 1 1 145 145 ARG N N 145 121.900 121.900 119.592 2.308 17604 3194 1 5 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.353 -0.451 17604 3195 1 5 . 1 1 145 145 ARG C C 145 176.937 176.937 178.009 -1.072 17604 3196 1 5 . 1 1 145 145 ARG CA C 145 57.561 57.561 58.692 -1.131 17604 3197 1 5 . 1 1 145 145 ARG H H 145 7.854 7.854 7.287 0.567 17604 3198 1 5 . 1 1 146 146 ALA N N 146 119.119 119.119 123.769 -4.650 17604 3199 1 5 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.426 -0.441 17604 3200 1 5 . 1 1 146 146 ALA C C 146 179.367 179.367 179.177 0.190 17604 3201 1 5 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.456 -0.170 17604 3202 1 5 . 1 1 146 146 ALA H H 146 8.439 8.439 8.376 0.063 17604 3203 1 5 . 1 1 147 147 LYS N N 147 116.600 116.600 118.204 -1.604 17604 3204 1 5 . 1 1 147 147 LYS C C 147 180.052 180.052 179.182 0.870 17604 3205 1 5 . 1 1 147 147 LYS CA C 147 60.644 60.644 60.247 0.397 17604 3206 1 5 . 1 1 147 147 LYS H H 147 8.066 8.066 8.197 -0.131 17604 3207 1 5 . 1 1 148 148 ARG N N 148 119.327 119.327 119.434 -0.107 17604 3208 1 5 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.940 -0.166 17604 3209 1 5 . 1 1 148 148 ARG C C 148 180.211 180.211 178.861 1.350 17604 3210 1 5 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.196 1.220 17604 3211 1 5 . 1 1 148 148 ARG H H 148 7.489 7.489 7.833 -0.344 17604 3212 1 5 . 1 1 149 149 VAL N N 149 125.204 125.204 120.541 4.663 17604 3213 1 5 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.762 -0.373 17604 3214 1 5 . 1 1 149 149 VAL C C 149 178.523 178.523 178.297 0.226 17604 3215 1 5 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.633 1.662 17604 3216 1 5 . 1 1 149 149 VAL H H 149 8.876 8.876 7.824 1.052 17604 3217 1 5 . 1 1 150 150 ILE N N 150 121.036 121.036 120.954 0.082 17604 3218 1 5 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.929 -0.036 17604 3219 1 5 . 1 1 150 150 ILE C C 150 178.541 178.541 178.161 0.380 17604 3220 1 5 . 1 1 150 150 ILE H H 150 9.322 9.322 8.930 0.392 17604 3221 1 5 . 1 1 151 151 THR N N 151 117.932 117.932 116.798 1.134 17604 3222 1 5 . 1 1 151 151 THR C C 151 176.418 176.418 176.559 -0.141 17604 3223 1 5 . 1 1 151 151 THR CA C 151 67.495 67.495 67.645 -0.150 17604 3224 1 5 . 1 1 151 151 THR H H 151 8.382 8.382 8.528 -0.146 17604 3225 1 5 . 1 1 152 152 THR N N 152 121.769 121.769 119.750 2.019 17604 3226 1 5 . 1 1 152 152 THR HA H 152 4.117 4.117 4.192 -0.075 17604 3227 1 5 . 1 1 152 152 THR C C 152 176.328 176.328 176.306 0.022 17604 3228 1 5 . 1 1 152 152 THR CA C 152 67.646 67.646 66.881 0.765 17604 3229 1 5 . 1 1 152 152 THR H H 152 7.982 7.982 7.766 0.216 17604 3230 1 5 . 1 1 153 153 PHE N N 153 120.509 120.509 121.270 -0.761 17604 3231 1 5 . 1 1 153 153 PHE C C 153 177.848 177.848 177.422 0.426 17604 3232 1 5 . 1 1 153 153 PHE H H 153 8.410 8.410 8.255 0.155 17604 3233 1 5 . 1 1 154 154 ARG N N 154 117.947 117.947 119.604 -1.657 17604 3234 1 5 . 1 1 154 154 ARG C C 154 178.389 178.389 178.508 -0.119 17604 3235 1 5 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.923 -0.151 17604 3236 1 5 . 1 1 154 154 ARG H H 154 8.733 8.733 8.431 0.302 17604 3237 1 5 . 1 1 155 155 THR N N 155 105.055 105.055 108.826 -3.771 17604 3238 1 5 . 1 1 155 155 THR HA H 155 4.235 4.235 4.300 -0.065 17604 3239 1 5 . 1 1 155 155 THR C C 155 176.705 176.705 175.756 0.949 17604 3240 1 5 . 1 1 155 155 THR CA C 155 62.225 62.225 62.123 0.102 17604 3241 1 5 . 1 1 155 155 THR H H 155 8.219 8.219 7.911 0.308 17604 3242 1 5 . 1 1 156 156 GLY N N 156 111.712 111.712 112.333 -0.621 17604 3243 1 5 . 1 1 156 156 GLY C C 156 172.901 172.901 174.172 -1.271 17604 3244 1 5 . 1 1 156 156 GLY H H 156 8.500 8.500 8.021 0.479 17604 3245 1 5 . 1 1 157 157 THR N N 157 108.367 108.367 110.537 -2.170 17604 3246 1 5 . 1 1 157 157 THR HA H 157 4.646 4.646 4.369 0.277 17604 3247 1 5 . 1 1 157 157 THR C C 157 174.042 174.042 173.028 1.014 17604 3248 1 5 . 1 1 157 157 THR CA C 157 58.745 58.745 59.387 -0.642 17604 3249 1 5 . 1 1 157 157 THR H H 157 7.568 7.568 7.256 0.312 17604 3250 1 5 . 1 1 158 158 TRP N N 158 117.864 117.864 119.662 -1.798 17604 3251 1 5 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.942 0.082 17604 3252 1 5 . 1 1 158 158 TRP C C 158 178.088 178.088 176.857 1.231 17604 3253 1 5 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.452 -0.314 17604 3254 1 5 . 1 1 158 158 TRP H H 158 8.512 8.512 8.598 -0.086 17604 3255 1 5 . 1 1 159 159 ASP N N 159 119.522 119.522 122.140 -2.618 17604 3256 1 5 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.455 -0.259 17604 3257 1 5 . 1 1 159 159 ASP C C 159 177.430 177.430 178.082 -0.652 17604 3258 1 5 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.605 1.053 17604 3259 1 5 . 1 1 159 159 ASP H H 159 7.972 7.972 7.824 0.148 17604 3260 1 5 . 1 1 160 160 ALA N N 160 119.939 119.939 121.161 -1.222 17604 3261 1 5 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.169 0.004 17604 3262 1 5 . 1 1 160 160 ALA C C 160 177.293 177.293 177.916 -0.623 17604 3263 1 5 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.651 -0.071 17604 3264 1 5 . 1 1 160 160 ALA H H 160 9.143 9.143 8.323 0.820 17604 3265 1 5 . 1 1 161 161 TYR N N 161 113.613 113.613 113.257 0.356 17604 3266 1 5 . 1 1 161 161 TYR C C 161 175.078 175.078 177.438 -2.360 17604 3267 1 5 . 1 1 161 161 TYR H H 161 8.071 8.071 7.999 0.072 17604 3268 1 5 . 1 1 162 162 LYS N N 162 119.559 119.559 120.363 -0.804 17604 3269 1 5 . 1 1 162 162 LYS C C 162 176.124 176.124 177.881 -1.757 17604 3270 1 5 . 1 1 162 162 LYS H H 162 7.266 7.266 7.664 -0.398 17604 3271 1 5 . 1 1 163 163 ASN N N 163 116.663 116.663 115.965 0.698 17604 3272 1 5 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.683 -0.156 17604 3273 1 5 . 1 1 163 163 ASN C C 163 173.671 173.671 175.328 -1.657 17604 3274 1 5 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.507 0.534 17604 3275 1 5 . 1 1 163 163 ASN H H 163 8.629 8.629 8.408 0.221 17604 3276 1 6 . 1 1 2 2 ASN N N 2 115.717 115.717 119.801 -4.084 17604 3277 1 6 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.583 -0.072 17604 3278 1 6 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.061 0.364 17604 3279 1 6 . 1 1 2 2 ASN H H 2 6.884 6.884 7.719 -0.835 17604 3280 1 6 . 1 1 3 3 ILE N N 3 116.556 116.556 119.969 -3.413 17604 3281 1 6 . 1 1 3 3 ILE C C 3 174.025 174.025 176.433 -2.408 17604 3282 1 6 . 1 1 3 3 ILE H H 3 8.891 8.891 8.504 0.387 17604 3283 1 6 . 1 1 4 4 PHE N N 4 121.687 121.687 118.749 2.938 17604 3284 1 6 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.205 -0.127 17604 3285 1 6 . 1 1 4 4 PHE C C 4 177.177 177.177 178.081 -0.904 17604 3286 1 6 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.273 -1.673 17604 3287 1 6 . 1 1 4 4 PHE H H 4 7.295 7.295 8.036 -0.741 17604 3288 1 6 . 1 1 5 5 GLU N N 5 118.203 118.203 119.567 -1.364 17604 3289 1 6 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.907 -0.066 17604 3290 1 6 . 1 1 5 5 GLU C C 5 178.279 178.279 179.048 -0.769 17604 3291 1 6 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.161 -0.385 17604 3292 1 6 . 1 1 5 5 GLU H H 5 7.886 7.886 8.593 -0.707 17604 3293 1 6 . 1 1 6 6 MET N N 6 118.175 118.175 120.937 -2.762 17604 3294 1 6 . 1 1 6 6 MET HA H 6 3.243 3.243 3.801 -0.558 17604 3295 1 6 . 1 1 6 6 MET C C 6 177.116 177.116 178.035 -0.919 17604 3296 1 6 . 1 1 6 6 MET CA C 6 58.652 58.652 59.248 -0.597 17604 3297 1 6 . 1 1 7 7 LEU N N 7 116.108 116.108 118.332 -2.224 17604 3298 1 6 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.977 -0.023 17604 3299 1 6 . 1 1 7 7 LEU C C 7 178.529 178.529 178.785 -0.256 17604 3300 1 6 . 1 1 7 7 LEU H H 7 8.029 8.029 8.227 -0.198 17604 3301 1 6 . 1 1 8 8 ARG N N 8 120.650 120.650 120.123 0.527 17604 3302 1 6 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.857 -0.294 17604 3303 1 6 . 1 1 8 8 ARG C C 8 180.117 180.117 178.768 1.349 17604 3304 1 6 . 1 1 8 8 ARG H H 8 8.121 8.121 8.129 -0.008 17604 3305 1 6 . 1 1 9 9 ILE N N 9 120.885 120.885 118.533 2.352 17604 3306 1 6 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.782 -0.295 17604 3307 1 6 . 1 1 9 9 ILE C C 9 177.395 177.395 177.297 0.098 17604 3308 1 6 . 1 1 9 9 ILE H H 9 7.619 7.619 7.969 -0.350 17604 3309 1 6 . 1 1 10 10 ASP N N 10 117.684 117.684 117.810 -0.126 17604 3310 1 6 . 1 1 10 10 ASP C C 10 177.857 177.857 178.135 -0.278 17604 3311 1 6 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.938 1.324 17604 3312 1 6 . 1 1 10 10 ASP H H 10 8.012 8.012 7.996 0.016 17604 3313 1 6 . 1 1 11 11 GLU N N 11 115.103 115.103 115.821 -0.718 17604 3314 1 6 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.565 -0.017 17604 3315 1 6 . 1 1 11 11 GLU C C 11 178.204 178.204 177.505 0.699 17604 3316 1 6 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.940 -0.533 17604 3317 1 6 . 1 1 11 11 GLU H H 11 8.837 8.837 8.294 0.543 17604 3318 1 6 . 1 1 12 12 GLY N N 12 109.255 109.255 108.563 0.692 17604 3319 1 6 . 1 1 12 12 GLY C C 12 170.041 170.041 171.932 -1.891 17604 3320 1 6 . 1 1 13 13 LEU N N 13 117.280 117.280 121.445 -4.165 17604 3321 1 6 . 1 1 13 13 LEU C C 13 175.609 175.609 175.118 0.491 17604 3322 1 6 . 1 1 13 13 LEU H H 13 7.770 7.770 8.211 -0.441 17604 3323 1 6 . 1 1 14 14 ARG N N 14 126.444 126.444 125.086 1.358 17604 3324 1 6 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.654 0.011 17604 3325 1 6 . 1 1 14 14 ARG C C 14 175.900 175.900 175.907 -0.007 17604 3326 1 6 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.890 -0.799 17604 3327 1 6 . 1 1 14 14 ARG H H 14 8.272 8.272 8.225 0.047 17604 3328 1 6 . 1 1 15 15 LEU N N 15 122.951 122.951 121.327 1.624 17604 3329 1 6 . 1 1 15 15 LEU C C 15 173.723 173.723 176.042 -2.319 17604 3330 1 6 . 1 1 15 15 LEU H H 15 8.806 8.806 8.646 0.160 17604 3331 1 6 . 1 1 16 16 LYS N N 16 114.983 114.983 119.352 -4.369 17604 3332 1 6 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.258 0.163 17604 3333 1 6 . 1 1 16 16 LYS C C 16 176.104 176.104 176.750 -0.646 17604 3334 1 6 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.200 -0.612 17604 3335 1 6 . 1 1 16 16 LYS H H 16 7.124 7.124 7.316 -0.192 17604 3336 1 6 . 1 1 17 17 ILE N N 17 120.664 120.664 126.320 -5.656 17604 3337 1 6 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.289 -0.156 17604 3338 1 6 . 1 1 17 17 ILE C C 17 174.773 174.773 176.488 -1.715 17604 3339 1 6 . 1 1 17 17 ILE H H 17 7.556 7.556 8.255 -0.699 17604 3340 1 6 . 1 1 18 18 TYR N N 18 127.713 127.713 125.974 1.739 17604 3341 1 6 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.113 0.001 17604 3342 1 6 . 1 1 18 18 TYR C C 18 172.709 172.709 173.524 -0.815 17604 3343 1 6 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.291 -0.003 17604 3344 1 6 . 1 1 18 18 TYR H H 18 9.391 9.391 9.088 0.303 17604 3345 1 6 . 1 1 19 19 LYS N N 19 122.584 122.584 120.909 1.675 17604 3346 1 6 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.548 0.015 17604 3347 1 6 . 1 1 19 19 LYS C C 19 176.060 176.060 176.215 -0.155 17604 3348 1 6 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.000 0.025 17604 3349 1 6 . 1 1 19 19 LYS H H 19 8.342 8.342 8.410 -0.068 17604 3350 1 6 . 1 1 20 20 ASP N N 20 124.864 124.864 124.496 0.368 17604 3351 1 6 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.743 -0.172 17604 3352 1 6 . 1 1 20 20 ASP C C 20 178.088 178.088 178.256 -0.168 17604 3353 1 6 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.166 -0.446 17604 3354 1 6 . 1 1 20 20 ASP H H 20 8.509 8.509 8.807 -0.298 17604 3355 1 6 . 1 1 21 21 THR N N 21 110.253 110.253 109.427 0.826 17604 3356 1 6 . 1 1 21 21 THR HA H 21 3.978 3.978 4.051 -0.073 17604 3357 1 6 . 1 1 21 21 THR C C 21 175.847 175.847 175.733 0.114 17604 3358 1 6 . 1 1 21 21 THR CA C 21 65.115 65.115 64.854 0.261 17604 3359 1 6 . 1 1 21 21 THR H H 21 7.975 7.975 8.544 -0.569 17604 3360 1 6 . 1 1 22 22 GLU N N 22 120.058 120.058 120.091 -0.033 17604 3361 1 6 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.217 -0.057 17604 3362 1 6 . 1 1 22 22 GLU C C 22 175.511 175.511 176.346 -0.835 17604 3363 1 6 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.573 0.399 17604 3364 1 6 . 1 1 23 23 GLY N N 23 106.801 106.801 106.721 0.080 17604 3365 1 6 . 1 1 23 23 GLY C C 23 173.498 173.498 174.045 -0.547 17604 3366 1 6 . 1 1 23 23 GLY H H 23 7.831 7.831 7.794 0.037 17604 3367 1 6 . 1 1 24 24 TYR N N 24 120.577 120.577 119.498 1.079 17604 3368 1 6 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.507 0.442 17604 3369 1 6 . 1 1 24 24 TYR C C 24 177.646 177.646 175.780 1.866 17604 3370 1 6 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.456 -1.751 17604 3371 1 6 . 1 1 24 24 TYR H H 24 8.190 8.190 8.060 0.130 17604 3372 1 6 . 1 1 25 25 TYR N N 25 122.599 122.599 123.188 -0.589 17604 3373 1 6 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.888 0.005 17604 3374 1 6 . 1 1 25 25 TYR C C 25 175.225 175.225 176.197 -0.972 17604 3375 1 6 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.008 -0.177 17604 3376 1 6 . 1 1 25 25 TYR H H 25 8.730 8.730 8.879 -0.149 17604 3377 1 6 . 1 1 26 26 THR N N 26 120.566 120.566 118.056 2.510 17604 3378 1 6 . 1 1 26 26 THR C C 26 170.704 170.704 172.600 -1.896 17604 3379 1 6 . 1 1 26 26 THR CA C 26 60.848 60.848 61.285 -0.437 17604 3380 1 6 . 1 1 26 26 THR H H 26 9.394 9.394 9.063 0.331 17604 3381 1 6 . 1 1 27 27 ILE N N 27 120.480 120.480 120.693 -0.213 17604 3382 1 6 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.513 0.122 17604 3383 1 6 . 1 1 27 27 ILE C C 27 172.588 172.588 174.627 -2.039 17604 3384 1 6 . 1 1 27 27 ILE H H 27 8.842 8.842 8.528 0.314 17604 3385 1 6 . 1 1 28 28 GLY N N 28 112.034 112.034 112.805 -0.771 17604 3386 1 6 . 1 1 28 28 GLY C C 28 174.725 174.725 174.200 0.525 17604 3387 1 6 . 1 1 28 28 GLY H H 28 8.585 8.585 8.798 -0.213 17604 3388 1 6 . 1 1 29 29 ILE N N 29 134.307 134.307 125.124 9.183 17604 3389 1 6 . 1 1 29 29 ILE C C 29 176.641 176.641 176.646 -0.005 17604 3390 1 6 . 1 1 29 29 ILE H H 29 10.269 10.269 8.658 1.611 17604 3391 1 6 . 1 1 30 30 GLY N N 30 107.697 107.697 112.453 -4.756 17604 3392 1 6 . 1 1 30 30 GLY C C 30 173.103 173.103 174.201 -1.098 17604 3393 1 6 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.056 0.591 17604 3394 1 6 . 1 1 30 30 GLY H H 30 8.159 8.159 8.396 -0.237 17604 3395 1 6 . 1 1 31 31 HIS N N 31 115.580 115.580 120.158 -4.578 17604 3396 1 6 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.558 -0.214 17604 3397 1 6 . 1 1 31 31 HIS C C 31 173.242 173.242 174.731 -1.489 17604 3398 1 6 . 1 1 31 31 HIS CA C 31 56.657 56.657 55.061 1.596 17604 3399 1 6 . 1 1 31 31 HIS H H 31 8.274 8.274 8.382 -0.108 17604 3400 1 6 . 1 1 32 32 LEU N N 32 131.965 131.965 128.692 3.273 17604 3401 1 6 . 1 1 32 32 LEU C C 32 176.441 176.441 175.573 0.868 17604 3402 1 6 . 1 1 32 32 LEU H H 32 7.916 7.916 8.910 -0.994 17604 3403 1 6 . 1 1 33 33 LEU N N 33 125.891 125.891 126.377 -0.486 17604 3404 1 6 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.374 0.123 17604 3405 1 6 . 1 1 33 33 LEU C C 33 176.188 176.188 177.125 -0.937 17604 3406 1 6 . 1 1 33 33 LEU H H 33 9.078 9.078 8.780 0.298 17604 3407 1 6 . 1 1 34 34 THR N N 34 109.694 109.694 108.989 0.705 17604 3408 1 6 . 1 1 34 34 THR HA H 34 4.465 4.465 4.392 0.073 17604 3409 1 6 . 1 1 34 34 THR C C 34 171.627 171.627 172.303 -0.676 17604 3410 1 6 . 1 1 34 34 THR CA C 34 60.050 60.050 61.370 -1.319 17604 3411 1 6 . 1 1 34 34 THR H H 34 7.266 7.266 7.380 -0.114 17604 3412 1 6 . 1 1 35 35 LYS N N 35 124.851 124.851 122.538 2.313 17604 3413 1 6 . 1 1 35 35 LYS C C 35 176.730 176.730 176.750 -0.020 17604 3414 1 6 . 1 1 35 35 LYS H H 35 8.583 8.583 8.285 0.298 17604 3415 1 6 . 1 1 36 36 SER N N 36 119.457 119.457 117.684 1.773 17604 3416 1 6 . 1 1 36 36 SER H H 36 8.748 8.748 7.792 0.956 17604 3417 1 6 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.575 0.310 17604 3418 1 6 . 1 1 37 37 PRO C C 37 177.051 177.051 176.815 0.236 17604 3419 1 6 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.437 -0.207 17604 3420 1 6 . 1 1 38 38 SER N N 38 116.302 116.302 116.133 0.169 17604 3421 1 6 . 1 1 38 38 SER HA H 38 4.730 4.730 4.572 0.158 17604 3422 1 6 . 1 1 38 38 SER C C 38 174.400 174.400 175.302 -0.902 17604 3423 1 6 . 1 1 38 38 SER CA C 38 56.315 56.315 56.685 -0.370 17604 3424 1 6 . 1 1 38 38 SER H H 38 8.230 8.230 7.769 0.461 17604 3425 1 6 . 1 1 39 39 LEU N N 39 133.066 133.066 130.487 2.579 17604 3426 1 6 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.352 0.092 17604 3427 1 6 . 1 1 39 39 LEU C C 39 178.462 178.462 177.571 0.891 17604 3428 1 6 . 1 1 39 39 LEU H H 39 8.961 8.961 8.793 0.168 17604 3429 1 6 . 1 1 40 40 ASN N N 40 116.781 116.781 117.510 -0.729 17604 3430 1 6 . 1 1 40 40 ASN C C 40 178.279 178.279 177.433 0.846 17604 3431 1 6 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 3432 1 6 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 3433 1 6 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.997 0.216 17604 3434 1 6 . 1 1 41 41 ALA C C 41 179.882 179.882 178.892 0.990 17604 3435 1 6 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.927 -0.214 17604 3436 1 6 . 1 1 41 41 ALA H H 41 7.746 7.746 7.589 0.157 17604 3437 1 6 . 1 1 42 42 ALA N N 42 120.972 120.972 121.298 -0.326 17604 3438 1 6 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.876 -0.135 17604 3439 1 6 . 1 1 42 42 ALA C C 42 178.822 178.822 179.453 -0.631 17604 3440 1 6 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.105 0.328 17604 3441 1 6 . 1 1 42 42 ALA H H 42 7.593 7.593 7.858 -0.265 17604 3442 1 6 . 1 1 43 43 LYS N N 43 117.113 117.113 118.140 -1.027 17604 3443 1 6 . 1 1 43 43 LYS C C 43 177.715 177.715 178.921 -1.206 17604 3444 1 6 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 3445 1 6 . 1 1 44 44 SER N N 44 113.825 113.825 115.252 -1.427 17604 3446 1 6 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 3447 1 6 . 1 1 44 44 SER CA C 44 61.708 61.708 61.396 0.312 17604 3448 1 6 . 1 1 44 44 SER H H 44 7.927 7.927 8.145 -0.218 17604 3449 1 6 . 1 1 45 45 GLU N N 45 120.104 120.104 121.229 -1.125 17604 3450 1 6 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.043 0.078 17604 3451 1 6 . 1 1 45 45 GLU C C 45 179.367 179.367 179.149 0.218 17604 3452 1 6 . 1 1 45 45 GLU CA C 45 58.516 58.516 59.008 -0.492 17604 3453 1 6 . 1 1 46 46 LEU N N 46 122.714 122.714 122.361 0.353 17604 3454 1 6 . 1 1 46 46 LEU C C 46 177.304 177.304 178.306 -1.002 17604 3455 1 6 . 1 1 46 46 LEU H H 46 8.304 8.304 8.316 -0.012 17604 3456 1 6 . 1 1 47 47 ASP N N 47 120.220 120.220 119.847 0.373 17604 3457 1 6 . 1 1 47 47 ASP C C 47 181.023 181.023 179.108 1.915 17604 3458 1 6 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.417 -0.151 17604 3459 1 6 . 1 1 47 47 ASP H H 47 8.651 8.651 8.423 0.228 17604 3460 1 6 . 1 1 48 48 LYS N N 48 120.884 120.884 120.033 0.851 17604 3461 1 6 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.052 17604 3462 1 6 . 1 1 48 48 LYS C C 48 178.238 178.238 178.299 -0.061 17604 3463 1 6 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.874 0.236 17604 3464 1 6 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 3465 1 6 . 1 1 49 49 ALA N N 49 121.076 121.076 121.981 -0.905 17604 3466 1 6 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.220 -0.054 17604 3467 1 6 . 1 1 49 49 ALA C C 49 179.471 179.471 179.196 0.275 17604 3468 1 6 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.551 -0.184 17604 3469 1 6 . 1 1 49 49 ALA H H 49 7.926 7.926 7.969 -0.043 17604 3470 1 6 . 1 1 50 50 ILE N N 50 114.845 114.845 115.944 -1.099 17604 3471 1 6 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.048 0.029 17604 3472 1 6 . 1 1 50 50 ILE C C 50 177.256 177.256 177.208 0.048 17604 3473 1 6 . 1 1 50 50 ILE H H 50 8.379 8.379 7.710 0.669 17604 3474 1 6 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.584 17604 3475 1 6 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 3476 1 6 . 1 1 51 51 GLY H H 51 8.380 8.380 8.379 0.001 17604 3477 1 6 . 1 1 52 52 ARG N N 52 115.489 115.489 116.547 -1.058 17604 3478 1 6 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 3479 1 6 . 1 1 52 52 ARG C C 52 172.318 172.318 173.391 -1.073 17604 3480 1 6 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17604 3481 1 6 . 1 1 53 53 ASN N N 53 115.422 115.422 120.460 -5.038 17604 3482 1 6 . 1 1 53 53 ASN C C 53 175.434 175.434 174.998 0.436 17604 3483 1 6 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 3484 1 6 . 1 1 54 54 THR N N 54 119.611 119.611 118.069 1.542 17604 3485 1 6 . 1 1 54 54 THR HA H 54 4.303 4.303 4.499 -0.196 17604 3486 1 6 . 1 1 54 54 THR C C 54 177.316 177.316 174.695 2.621 17604 3487 1 6 . 1 1 54 54 THR CA C 54 63.742 63.742 60.884 2.858 17604 3488 1 6 . 1 1 54 54 THR H H 54 9.079 9.079 8.764 0.315 17604 3489 1 6 . 1 1 55 55 ASN N N 55 120.102 120.102 118.382 1.720 17604 3490 1 6 . 1 1 55 55 ASN C C 55 175.771 175.771 175.656 0.115 17604 3491 1 6 . 1 1 55 55 ASN H H 55 9.477 9.477 8.341 1.136 17604 3492 1 6 . 1 1 56 56 GLY N N 56 102.932 102.932 108.271 -5.339 17604 3493 1 6 . 1 1 56 56 GLY C C 56 172.123 172.123 172.900 -0.777 17604 3494 1 6 . 1 1 56 56 GLY H H 56 8.688 8.688 7.813 0.875 17604 3495 1 6 . 1 1 57 57 VAL N N 57 120.312 120.312 118.569 1.743 17604 3496 1 6 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.290 -0.170 17604 3497 1 6 . 1 1 57 57 VAL C C 57 174.887 174.887 174.879 0.008 17604 3498 1 6 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.686 0.979 17604 3499 1 6 . 1 1 57 57 VAL H H 57 7.473 7.473 7.421 0.052 17604 3500 1 6 . 1 1 58 58 ILE N N 58 116.909 116.909 121.352 -4.443 17604 3501 1 6 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.093 -0.218 17604 3502 1 6 . 1 1 58 58 ILE C C 58 175.410 175.410 175.220 0.190 17604 3503 1 6 . 1 1 58 58 ILE H H 58 8.545 8.545 9.074 -0.529 17604 3504 1 6 . 1 1 59 59 THR N N 59 109.210 109.210 112.602 -3.392 17604 3505 1 6 . 1 1 59 59 THR HA H 59 4.619 4.619 4.659 -0.040 17604 3506 1 6 . 1 1 59 59 THR C C 59 176.379 176.379 174.810 1.569 17604 3507 1 6 . 1 1 59 59 THR CA C 59 59.842 59.842 60.180 -0.338 17604 3508 1 6 . 1 1 59 59 THR H H 59 8.694 8.694 9.061 -0.367 17604 3509 1 6 . 1 1 60 60 LYS N N 60 121.466 121.466 121.683 -0.217 17604 3510 1 6 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.956 -0.091 17604 3511 1 6 . 1 1 60 60 LYS C C 60 178.086 178.086 178.332 -0.246 17604 3512 1 6 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.454 0.403 17604 3513 1 6 . 1 1 60 60 LYS H H 60 9.147 9.147 8.816 0.331 17604 3514 1 6 . 1 1 61 61 ASP N N 61 117.243 117.243 118.406 -1.163 17604 3515 1 6 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.411 -0.061 17604 3516 1 6 . 1 1 61 61 ASP C C 61 179.628 179.628 179.051 0.577 17604 3517 1 6 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.524 -0.330 17604 3518 1 6 . 1 1 61 61 ASP H H 61 8.252 8.252 8.543 -0.291 17604 3519 1 6 . 1 1 62 62 GLU N N 62 121.473 121.473 120.193 1.280 17604 3520 1 6 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.067 -0.184 17604 3521 1 6 . 1 1 62 62 GLU C C 62 178.781 178.781 178.819 -0.038 17604 3522 1 6 . 1 1 62 62 GLU H H 62 7.713 7.713 7.865 -0.152 17604 3523 1 6 . 1 1 63 63 ALA N N 63 121.213 121.213 122.793 -1.580 17604 3524 1 6 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.953 -0.059 17604 3525 1 6 . 1 1 63 63 ALA C C 63 180.801 180.801 179.766 1.035 17604 3526 1 6 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.687 -0.583 17604 3527 1 6 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 3528 1 6 . 1 1 64 64 GLU N N 64 119.853 119.853 118.221 1.632 17604 3529 1 6 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.184 0.001 17604 3530 1 6 . 1 1 64 64 GLU C C 64 177.889 177.889 178.925 -1.036 17604 3531 1 6 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.418 0.874 17604 3532 1 6 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 3533 1 6 . 1 1 65 65 LYS N N 65 122.118 122.118 121.374 0.744 17604 3534 1 6 . 1 1 65 65 LYS C C 65 179.896 179.896 179.009 0.887 17604 3535 1 6 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.646 0.042 17604 3536 1 6 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 3537 1 6 . 1 1 66 66 LEU N N 66 118.262 118.262 119.317 -1.055 17604 3538 1 6 . 1 1 66 66 LEU C C 66 177.988 177.988 179.111 -1.123 17604 3539 1 6 . 1 1 66 66 LEU H H 66 7.705 7.705 8.101 -0.396 17604 3540 1 6 . 1 1 67 67 PHE N N 67 118.838 118.838 120.256 -1.418 17604 3541 1 6 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.311 0.957 17604 3542 1 6 . 1 1 67 67 PHE C C 67 177.256 177.256 177.562 -0.306 17604 3543 1 6 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.976 -1.287 17604 3544 1 6 . 1 1 67 67 PHE H H 67 8.060 8.060 8.473 -0.413 17604 3545 1 6 . 1 1 68 68 ASN N N 68 117.691 117.691 117.401 0.290 17604 3546 1 6 . 1 1 68 68 ASN C C 68 178.790 178.790 177.579 1.211 17604 3547 1 6 . 1 1 68 68 ASN H H 68 8.473 8.473 8.578 -0.105 17604 3548 1 6 . 1 1 69 69 GLN N N 69 118.450 118.450 119.179 -0.729 17604 3549 1 6 . 1 1 69 69 GLN C C 69 178.971 178.971 178.462 0.509 17604 3550 1 6 . 1 1 69 69 GLN H H 69 7.788 7.788 8.099 -0.311 17604 3551 1 6 . 1 1 70 70 ASP N N 70 123.108 123.108 120.956 2.152 17604 3552 1 6 . 1 1 70 70 ASP C C 70 179.925 179.925 179.004 0.921 17604 3553 1 6 . 1 1 70 70 ASP H H 70 8.857 8.857 8.480 0.377 17604 3554 1 6 . 1 1 71 71 VAL N N 71 125.622 125.622 120.782 4.840 17604 3555 1 6 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.502 0.089 17604 3556 1 6 . 1 1 71 71 VAL C C 71 177.173 177.173 177.565 -0.392 17604 3557 1 6 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.781 1.609 17604 3558 1 6 . 1 1 71 71 VAL H H 71 9.017 9.017 8.391 0.626 17604 3559 1 6 . 1 1 72 72 ASP N N 72 118.829 118.829 119.980 -1.151 17604 3560 1 6 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.247 0.106 17604 3561 1 6 . 1 1 72 72 ASP C C 72 178.629 178.629 178.184 0.445 17604 3562 1 6 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.312 0.313 17604 3563 1 6 . 1 1 72 72 ASP H H 72 7.605 7.605 8.152 -0.547 17604 3564 1 6 . 1 1 73 73 ALA N N 73 119.829 119.829 121.709 -1.880 17604 3565 1 6 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.034 -0.006 17604 3566 1 6 . 1 1 73 73 ALA C C 73 180.382 180.382 179.559 0.823 17604 3567 1 6 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.062 0.077 17604 3568 1 6 . 1 1 73 73 ALA H H 73 8.344 8.344 8.258 0.086 17604 3569 1 6 . 1 1 74 74 ALA N N 74 123.039 123.039 121.934 1.105 17604 3570 1 6 . 1 1 74 74 ALA HA H 74 4.167 4.167 4.025 0.142 17604 3571 1 6 . 1 1 74 74 ALA C C 74 179.701 179.701 179.568 0.133 17604 3572 1 6 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.813 -0.142 17604 3573 1 6 . 1 1 74 74 ALA H H 74 7.877 7.877 7.727 0.150 17604 3574 1 6 . 1 1 75 75 VAL H H 75 8.180 8.180 7.892 0.288 17604 3575 1 6 . 1 1 76 76 ARG N N 76 117.752 117.752 119.362 -1.610 17604 3576 1 6 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.893 -0.078 17604 3577 1 6 . 1 1 76 76 ARG C C 76 178.843 178.843 178.917 -0.074 17604 3578 1 6 . 1 1 76 76 ARG H H 76 8.416 8.416 8.665 -0.249 17604 3579 1 6 . 1 1 77 77 GLY N N 77 105.782 105.782 107.256 -1.474 17604 3580 1 6 . 1 1 77 77 GLY C C 77 176.137 176.137 175.780 0.357 17604 3581 1 6 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.728 -0.671 17604 3582 1 6 . 1 1 77 77 GLY H H 77 8.010 8.010 8.121 -0.111 17604 3583 1 6 . 1 1 78 78 ILE N N 78 121.765 121.765 122.047 -0.282 17604 3584 1 6 . 1 1 78 78 ILE C C 78 177.166 177.166 178.270 -1.104 17604 3585 1 6 . 1 1 78 78 ILE H H 78 7.502 7.502 7.742 -0.240 17604 3586 1 6 . 1 1 79 79 LEU N N 79 115.166 115.166 117.795 -2.629 17604 3587 1 6 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.017 -0.190 17604 3588 1 6 . 1 1 79 79 LEU C C 79 178.804 178.804 178.115 0.689 17604 3589 1 6 . 1 1 79 79 LEU H H 79 7.903 7.903 8.034 -0.131 17604 3590 1 6 . 1 1 80 80 ARG N N 80 114.734 114.734 114.610 0.124 17604 3591 1 6 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.313 0.014 17604 3592 1 6 . 1 1 80 80 ARG C C 80 175.118 175.118 175.791 -0.673 17604 3593 1 6 . 1 1 80 80 ARG H H 80 7.707 7.707 7.644 0.063 17604 3594 1 6 . 1 1 81 81 ASN N N 81 120.809 120.809 118.732 2.077 17604 3595 1 6 . 1 1 81 81 ASN C C 81 174.581 174.581 175.219 -0.638 17604 3596 1 6 . 1 1 81 81 ASN H H 81 7.498 7.498 7.508 -0.010 17604 3597 1 6 . 1 1 82 82 ALA N N 82 127.902 127.902 129.605 -1.703 17604 3598 1 6 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.167 -0.088 17604 3599 1 6 . 1 1 82 82 ALA C C 82 178.943 178.943 178.564 0.379 17604 3600 1 6 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.557 0.290 17604 3601 1 6 . 1 1 82 82 ALA H H 82 8.849 8.849 8.972 -0.123 17604 3602 1 6 . 1 1 83 83 LYS N N 83 114.166 114.166 117.381 -3.215 17604 3603 1 6 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.231 0.058 17604 3604 1 6 . 1 1 83 83 LYS C C 83 177.907 177.907 178.630 -0.723 17604 3605 1 6 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.549 -1.209 17604 3606 1 6 . 1 1 83 83 LYS H H 83 8.060 8.060 8.210 -0.150 17604 3607 1 6 . 1 1 84 84 LEU N N 84 116.412 116.412 120.298 -3.886 17604 3608 1 6 . 1 1 84 84 LEU C C 84 178.335 178.335 178.264 0.071 17604 3609 1 6 . 1 1 84 84 LEU H H 84 7.531 7.531 8.452 -0.921 17604 3610 1 6 . 1 1 85 85 LYS N N 85 121.080 121.080 120.630 0.450 17604 3611 1 6 . 1 1 85 85 LYS H H 85 8.462 8.462 8.400 0.062 17604 3612 1 6 . 1 1 86 86 PRO C C 86 179.959 179.959 179.198 0.761 17604 3613 1 6 . 1 1 87 87 VAL N N 87 115.566 115.566 118.661 -3.095 17604 3614 1 6 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.750 -0.006 17604 3615 1 6 . 1 1 87 87 VAL C C 87 178.545 178.545 178.235 0.310 17604 3616 1 6 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.266 -0.762 17604 3617 1 6 . 1 1 87 87 VAL H H 87 6.893 6.893 7.275 -0.382 17604 3618 1 6 . 1 1 88 88 TYR N N 88 122.544 122.544 121.230 1.314 17604 3619 1 6 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.094 -0.195 17604 3620 1 6 . 1 1 88 88 TYR C C 88 177.722 177.722 177.520 0.202 17604 3621 1 6 . 1 1 88 88 TYR CA C 88 62.861 62.861 62.104 0.757 17604 3622 1 6 . 1 1 88 88 TYR H H 88 8.457 8.457 8.670 -0.213 17604 3623 1 6 . 1 1 89 89 ASP N N 89 117.217 117.217 116.608 0.609 17604 3624 1 6 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.354 -0.033 17604 3625 1 6 . 1 1 89 89 ASP C C 89 177.849 177.849 178.955 -1.106 17604 3626 1 6 . 1 1 89 89 ASP H H 89 9.103 9.103 8.901 0.202 17604 3627 1 6 . 1 1 90 90 SER N N 90 113.279 113.279 114.473 -1.194 17604 3628 1 6 . 1 1 90 90 SER HA H 90 4.424 4.424 4.349 0.075 17604 3629 1 6 . 1 1 90 90 SER C C 90 174.362 174.362 174.954 -0.592 17604 3630 1 6 . 1 1 90 90 SER CA C 90 59.655 59.655 59.645 0.010 17604 3631 1 6 . 1 1 90 90 SER H H 90 7.365 7.365 7.664 -0.299 17604 3632 1 6 . 1 1 91 91 LEU N N 91 123.395 123.395 123.624 -0.229 17604 3633 1 6 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.483 -0.059 17604 3634 1 6 . 1 1 91 91 LEU C C 91 176.268 176.268 176.558 -0.290 17604 3635 1 6 . 1 1 91 91 LEU H H 91 7.458 7.458 7.363 0.095 17604 3636 1 6 . 1 1 92 92 ASP N N 92 115.456 115.456 121.173 -5.717 17604 3637 1 6 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.469 0.154 17604 3638 1 6 . 1 1 92 92 ASP C C 92 175.560 175.560 176.761 -1.201 17604 3639 1 6 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.869 -1.693 17604 3640 1 6 . 1 1 92 92 ASP H H 92 7.401 7.401 8.387 -0.986 17604 3641 1 6 . 1 1 93 93 ALA N N 93 119.761 119.761 122.085 -2.324 17604 3642 1 6 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.038 -0.241 17604 3643 1 6 . 1 1 93 93 ALA C C 93 179.896 179.896 179.746 0.150 17604 3644 1 6 . 1 1 93 93 ALA H H 93 8.687 8.687 8.534 0.153 17604 3645 1 6 . 1 1 94 94 VAL N N 94 118.785 118.785 118.198 0.587 17604 3646 1 6 . 1 1 94 94 VAL C C 94 177.307 177.307 177.849 -0.542 17604 3647 1 6 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.773 0.172 17604 3648 1 6 . 1 1 94 94 VAL H H 94 7.822 7.822 7.582 0.240 17604 3649 1 6 . 1 1 95 95 ARG N N 95 119.046 119.046 118.652 0.394 17604 3650 1 6 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.640 -0.061 17604 3651 1 6 . 1 1 95 95 ARG C C 95 178.424 178.424 178.713 -0.289 17604 3652 1 6 . 1 1 95 95 ARG H H 95 7.766 7.766 8.099 -0.333 17604 3653 1 6 . 1 1 96 96 ARG N N 96 118.034 118.034 119.578 -1.544 17604 3654 1 6 . 1 1 96 96 ARG C C 96 177.930 177.930 178.390 -0.460 17604 3655 1 6 . 1 1 96 96 ARG H H 96 8.629 8.629 8.383 0.246 17604 3656 1 6 . 1 1 97 97 ALA N N 97 119.949 119.949 121.315 -1.366 17604 3657 1 6 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.002 0.066 17604 3658 1 6 . 1 1 97 97 ALA C C 97 178.702 178.702 178.969 -0.267 17604 3659 1 6 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.054 0.314 17604 3660 1 6 . 1 1 97 97 ALA H H 97 7.028 7.028 7.440 -0.412 17604 3661 1 6 . 1 1 98 98 ALA N N 98 118.852 118.852 121.105 -2.253 17604 3662 1 6 . 1 1 98 98 ALA C C 98 177.525 177.525 179.040 -1.515 17604 3663 1 6 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.554 0.768 17604 3664 1 6 . 1 1 98 98 ALA H H 98 7.200 7.200 7.201 -0.001 17604 3665 1 6 . 1 1 99 99 ALA N N 99 119.728 119.728 121.003 -1.275 17604 3666 1 6 . 1 1 99 99 ALA HA H 99 3.534 3.534 3.905 -0.371 17604 3667 1 6 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.150 0.446 17604 3668 1 6 . 1 1 99 99 ALA H H 99 7.795 7.795 7.643 0.152 17604 3669 1 6 . 1 1 100 100 ILE N N 100 116.243 116.243 117.569 -1.326 17604 3670 1 6 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.655 -0.204 17604 3671 1 6 . 1 1 100 100 ILE C C 100 176.994 176.994 177.337 -0.343 17604 3672 1 6 . 1 1 100 100 ILE H H 100 8.093 8.093 8.215 -0.122 17604 3673 1 6 . 1 1 101 101 ASN N N 101 116.433 116.433 118.032 -1.599 17604 3674 1 6 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.455 -0.197 17604 3675 1 6 . 1 1 101 101 ASN C C 101 177.449 177.449 177.947 -0.498 17604 3676 1 6 . 1 1 101 101 ASN CA C 101 56.826 56.826 56.217 0.609 17604 3677 1 6 . 1 1 101 101 ASN H H 101 8.097 8.097 7.892 0.205 17604 3678 1 6 . 1 1 102 102 MET N N 102 113.936 113.936 118.029 -4.093 17604 3679 1 6 . 1 1 102 102 MET HA H 102 3.657 3.657 4.261 -0.604 17604 3680 1 6 . 1 1 102 102 MET CA C 102 61.050 61.050 58.008 3.042 17604 3681 1 6 . 1 1 102 102 MET H H 102 7.719 7.719 7.942 -0.223 17604 3682 1 6 . 1 1 103 103 VAL N N 103 105.507 105.507 117.031 -11.524 17604 3683 1 6 . 1 1 103 103 VAL C C 103 175.510 175.510 175.666 -0.156 17604 3684 1 6 . 1 1 103 103 VAL CA C 103 61.665 61.665 62.293 -0.628 17604 3685 1 6 . 1 1 103 103 VAL H H 103 7.320 7.320 7.489 -0.169 17604 3686 1 6 . 1 1 104 104 PHE N N 104 126.466 126.466 122.980 3.486 17604 3687 1 6 . 1 1 104 104 PHE C C 104 176.939 176.939 174.394 2.545 17604 3688 1 6 . 1 1 104 104 PHE H H 104 7.877 7.877 7.537 0.340 17604 3689 1 6 . 1 1 105 105 GLN N N 105 119.920 119.920 120.335 -0.415 17604 3690 1 6 . 1 1 105 105 GLN C C 105 174.943 174.943 175.296 -0.353 17604 3691 1 6 . 1 1 105 105 GLN H H 105 8.540 8.540 8.430 0.110 17604 3692 1 6 . 1 1 106 106 MET N N 106 117.242 117.242 119.309 -2.067 17604 3693 1 6 . 1 1 106 106 MET HA H 106 4.146 4.146 4.494 -0.348 17604 3694 1 6 . 1 1 106 106 MET C C 106 177.126 177.126 176.374 0.752 17604 3695 1 6 . 1 1 106 106 MET CA C 106 54.786 54.786 56.019 -1.233 17604 3696 1 6 . 1 1 106 106 MET H H 106 8.869 8.869 8.670 0.199 17604 3697 1 6 . 1 1 107 107 GLY N N 107 107.963 107.963 105.269 2.694 17604 3698 1 6 . 1 1 107 107 GLY C C 107 174.858 174.858 173.852 1.006 17604 3699 1 6 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.450 1.648 17604 3700 1 6 . 1 1 107 107 GLY H H 107 7.819 7.819 7.535 0.284 17604 3701 1 6 . 1 1 108 108 GLU N N 108 122.988 122.988 120.896 2.092 17604 3702 1 6 . 1 1 108 108 GLU C C 108 179.500 179.500 178.182 1.318 17604 3703 1 6 . 1 1 108 108 GLU H H 108 8.778 8.778 8.866 -0.088 17604 3704 1 6 . 1 1 109 109 THR N N 109 112.024 112.024 115.367 -3.343 17604 3705 1 6 . 1 1 109 109 THR HA H 109 4.193 4.193 4.173 0.020 17604 3706 1 6 . 1 1 109 109 THR C C 109 178.149 178.149 176.791 1.358 17604 3707 1 6 . 1 1 109 109 THR CA C 109 65.018 65.018 67.236 -2.217 17604 3708 1 6 . 1 1 109 109 THR H H 109 8.617 8.617 8.418 0.199 17604 3709 1 6 . 1 1 110 110 GLY N N 110 116.155 116.155 110.034 6.121 17604 3710 1 6 . 1 1 110 110 GLY C C 110 175.727 175.727 175.824 -0.097 17604 3711 1 6 . 1 1 110 110 GLY H H 110 8.631 8.631 8.258 0.373 17604 3712 1 6 . 1 1 111 111 VAL N N 111 120.428 120.428 122.521 -2.093 17604 3713 1 6 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.612 0.024 17604 3714 1 6 . 1 1 111 111 VAL C C 111 179.055 179.055 177.762 1.293 17604 3715 1 6 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.325 0.803 17604 3716 1 6 . 1 1 111 111 VAL H H 111 8.073 8.073 7.854 0.219 17604 3717 1 6 . 1 1 112 112 ALA N N 112 124.050 124.050 122.362 1.688 17604 3718 1 6 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.072 0.143 17604 3719 1 6 . 1 1 112 112 ALA C C 112 180.059 180.059 179.716 0.343 17604 3720 1 6 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.258 0.162 17604 3721 1 6 . 1 1 112 112 ALA H H 112 8.297 8.297 8.411 -0.114 17604 3722 1 6 . 1 1 113 113 GLY N N 113 105.820 105.820 106.106 -0.286 17604 3723 1 6 . 1 1 113 113 GLY C C 113 175.656 175.656 176.105 -0.449 17604 3724 1 6 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.472 0.546 17604 3725 1 6 . 1 1 113 113 GLY H H 113 8.218 8.218 8.318 -0.100 17604 3726 1 6 . 1 1 114 114 PHE N N 114 122.441 122.441 122.873 -0.432 17604 3727 1 6 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.342 -0.134 17604 3728 1 6 . 1 1 114 114 PHE C C 114 177.316 177.316 177.165 0.151 17604 3729 1 6 . 1 1 114 114 PHE CA C 114 59.874 59.874 59.082 0.792 17604 3730 1 6 . 1 1 114 114 PHE H H 114 8.111 8.111 8.097 0.014 17604 3731 1 6 . 1 1 115 115 THR N N 115 114.602 114.602 114.954 -0.352 17604 3732 1 6 . 1 1 115 115 THR C C 115 176.611 176.611 176.465 0.146 17604 3733 1 6 . 1 1 115 115 THR CA C 115 66.636 66.636 67.077 -0.441 17604 3734 1 6 . 1 1 115 115 THR H H 115 8.378 8.378 8.307 0.071 17604 3735 1 6 . 1 1 116 116 ASN N N 116 119.071 119.071 117.560 1.511 17604 3736 1 6 . 1 1 116 116 ASN H H 116 8.276 8.276 7.834 0.442 17604 3737 1 6 . 1 1 117 117 SER C C 117 174.833 174.833 175.621 -0.788 17604 3738 1 6 . 1 1 118 118 LEU N N 118 121.114 121.114 123.199 -2.085 17604 3739 1 6 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.552 0.620 17604 3740 1 6 . 1 1 118 118 LEU C C 118 177.954 177.954 178.412 -0.458 17604 3741 1 6 . 1 1 118 118 LEU H H 118 7.336 7.336 7.318 0.018 17604 3742 1 6 . 1 1 119 119 ARG N N 119 117.315 117.315 118.277 -0.962 17604 3743 1 6 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.899 0.152 17604 3744 1 6 . 1 1 119 119 ARG C C 119 178.720 178.720 178.225 0.495 17604 3745 1 6 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.240 -0.619 17604 3746 1 6 . 1 1 119 119 ARG H H 119 8.329 8.329 7.769 0.560 17604 3747 1 6 . 1 1 120 120 MET N N 120 115.507 115.507 117.938 -2.431 17604 3748 1 6 . 1 1 120 120 MET HA H 120 3.969 3.969 4.112 -0.143 17604 3749 1 6 . 1 1 120 120 MET C C 120 178.161 178.161 178.767 -0.606 17604 3750 1 6 . 1 1 120 120 MET CA C 120 59.029 59.029 57.630 1.399 17604 3751 1 6 . 1 1 120 120 MET H H 120 7.408 7.408 7.975 -0.567 17604 3752 1 6 . 1 1 121 121 LEU N N 121 117.639 117.639 119.080 -1.441 17604 3753 1 6 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.942 -0.089 17604 3754 1 6 . 1 1 121 121 LEU C C 121 179.852 179.852 179.701 0.151 17604 3755 1 6 . 1 1 121 121 LEU H H 121 7.681 7.681 8.353 -0.672 17604 3756 1 6 . 1 1 122 122 GLN N N 122 120.423 120.423 119.563 0.860 17604 3757 1 6 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.021 -0.076 17604 3758 1 6 . 1 1 122 122 GLN C C 122 176.976 176.976 177.778 -0.802 17604 3759 1 6 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.222 1.168 17604 3760 1 6 . 1 1 122 122 GLN H H 122 8.689 8.689 8.067 0.622 17604 3761 1 6 . 1 1 123 123 GLN N N 123 113.631 113.631 115.599 -1.968 17604 3762 1 6 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.207 -0.135 17604 3763 1 6 . 1 1 123 123 GLN C C 123 174.455 174.455 175.084 -0.629 17604 3764 1 6 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.563 -0.383 17604 3765 1 6 . 1 1 123 123 GLN H H 123 7.251 7.251 7.404 -0.153 17604 3766 1 6 . 1 1 124 124 LYS N N 124 114.745 114.745 114.465 0.280 17604 3767 1 6 . 1 1 124 124 LYS C C 124 174.910 174.910 175.136 -0.226 17604 3768 1 6 . 1 1 124 124 LYS H H 124 7.291 7.291 7.374 -0.083 17604 3769 1 6 . 1 1 125 125 ARG N N 125 119.533 119.533 118.691 0.842 17604 3770 1 6 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.179 0.058 17604 3771 1 6 . 1 1 125 125 ARG C C 125 177.182 177.182 176.356 0.826 17604 3772 1 6 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.538 -0.352 17604 3773 1 6 . 1 1 125 125 ARG H H 125 7.715 7.715 7.790 -0.075 17604 3774 1 6 . 1 1 126 126 TRP N N 126 119.232 119.232 123.551 -4.319 17604 3775 1 6 . 1 1 126 126 TRP C C 126 178.891 178.891 177.727 1.164 17604 3776 1 6 . 1 1 126 126 TRP H H 126 6.888 6.888 7.443 -0.555 17604 3777 1 6 . 1 1 127 127 ASP N N 127 116.481 116.481 117.682 -1.201 17604 3778 1 6 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.409 0.007 17604 3779 1 6 . 1 1 127 127 ASP C C 127 178.854 178.854 178.551 0.303 17604 3780 1 6 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.992 -0.302 17604 3781 1 6 . 1 1 127 127 ASP H H 127 8.548 8.548 8.859 -0.311 17604 3782 1 6 . 1 1 128 128 GLU N N 128 120.565 120.565 120.265 0.300 17604 3783 1 6 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.027 -0.074 17604 3784 1 6 . 1 1 128 128 GLU C C 128 179.945 179.945 178.262 1.683 17604 3785 1 6 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.079 0.477 17604 3786 1 6 . 1 1 128 128 GLU H H 128 8.311 8.311 8.393 -0.082 17604 3787 1 6 . 1 1 129 129 ALA N N 129 122.262 122.262 122.329 -0.067 17604 3788 1 6 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.915 0.093 17604 3789 1 6 . 1 1 129 129 ALA C C 129 178.673 178.673 179.370 -0.697 17604 3790 1 6 . 1 1 129 129 ALA H H 129 8.630 8.630 8.574 0.056 17604 3791 1 6 . 1 1 130 130 ALA N N 130 119.515 119.515 121.213 -1.698 17604 3792 1 6 . 1 1 130 130 ALA C C 130 179.789 179.789 179.670 0.119 17604 3793 1 6 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.173 0.518 17604 3794 1 6 . 1 1 130 130 ALA H H 130 8.263 8.263 8.074 0.189 17604 3795 1 6 . 1 1 131 131 VAL N N 131 117.584 117.584 119.012 -1.428 17604 3796 1 6 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.412 0.167 17604 3797 1 6 . 1 1 131 131 VAL C C 131 178.341 178.341 178.136 0.205 17604 3798 1 6 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.894 -0.772 17604 3799 1 6 . 1 1 131 131 VAL H H 131 7.883 7.883 8.260 -0.377 17604 3800 1 6 . 1 1 132 132 ASN N N 132 118.267 118.267 118.656 -0.389 17604 3801 1 6 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.454 -0.126 17604 3802 1 6 . 1 1 132 132 ASN C C 132 178.969 178.969 178.162 0.807 17604 3803 1 6 . 1 1 132 132 ASN CA C 132 56.825 56.825 56.263 0.562 17604 3804 1 6 . 1 1 133 133 LEU N N 133 121.157 121.157 120.080 1.077 17604 3805 1 6 . 1 1 133 133 LEU C C 133 179.658 179.658 179.728 -0.070 17604 3806 1 6 . 1 1 133 133 LEU H H 133 8.868 8.868 8.035 0.833 17604 3807 1 6 . 1 1 134 134 ALA N N 134 121.551 121.551 122.878 -1.327 17604 3808 1 6 . 1 1 134 134 ALA C C 134 177.027 177.027 178.186 -1.159 17604 3809 1 6 . 1 1 134 134 ALA H H 134 7.720 7.720 8.084 -0.364 17604 3810 1 6 . 1 1 135 135 LYS N N 135 115.144 115.144 114.690 0.454 17604 3811 1 6 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.243 0.164 17604 3812 1 6 . 1 1 135 135 LYS C C 135 176.809 176.809 176.399 0.410 17604 3813 1 6 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.422 -0.510 17604 3814 1 6 . 1 1 135 135 LYS H H 135 7.276 7.276 7.869 -0.593 17604 3815 1 6 . 1 1 136 136 SER N N 136 115.694 115.694 116.106 -0.412 17604 3816 1 6 . 1 1 136 136 SER HA H 136 4.427 4.427 4.628 -0.201 17604 3817 1 6 . 1 1 136 136 SER C C 136 174.351 174.351 175.788 -1.437 17604 3818 1 6 . 1 1 136 136 SER CA C 136 58.922 58.922 57.939 0.983 17604 3819 1 6 . 1 1 136 136 SER H H 136 7.550 7.550 7.626 -0.076 17604 3820 1 6 . 1 1 137 137 ARG N N 137 122.410 122.410 124.263 -1.853 17604 3821 1 6 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.133 0.115 17604 3822 1 6 . 1 1 137 137 ARG C C 137 178.462 178.462 177.992 0.470 17604 3823 1 6 . 1 1 137 137 ARG CA C 137 58.567 58.567 60.050 -1.483 17604 3824 1 6 . 1 1 137 137 ARG H H 137 8.694 8.694 8.946 -0.252 17604 3825 1 6 . 1 1 138 138 TRP N N 138 119.884 119.884 121.326 -1.442 17604 3826 1 6 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.382 -0.200 17604 3827 1 6 . 1 1 138 138 TRP C C 138 175.710 175.710 177.839 -2.129 17604 3828 1 6 . 1 1 138 138 TRP CA C 138 62.100 62.100 61.495 0.605 17604 3829 1 6 . 1 1 138 138 TRP H H 138 8.476 8.476 8.579 -0.103 17604 3830 1 6 . 1 1 139 139 TYR N N 139 118.715 118.715 118.721 -0.006 17604 3831 1 6 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.651 -0.651 17604 3832 1 6 . 1 1 139 139 TYR C C 139 175.701 175.701 177.030 -1.329 17604 3833 1 6 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.074 -0.878 17604 3834 1 6 . 1 1 139 139 TYR H H 139 7.851 7.851 7.802 0.049 17604 3835 1 6 . 1 1 140 140 ASN N N 140 111.811 111.811 117.058 -5.247 17604 3836 1 6 . 1 1 140 140 ASN C C 140 176.521 176.521 177.274 -0.753 17604 3837 1 6 . 1 1 141 141 GLN N N 141 117.421 117.421 117.245 0.176 17604 3838 1 6 . 1 1 141 141 GLN C C 141 176.598 176.598 176.367 0.231 17604 3839 1 6 . 1 1 141 141 GLN H H 141 7.779 7.779 7.851 -0.072 17604 3840 1 6 . 1 1 142 142 THR N N 142 111.422 111.422 109.783 1.639 17604 3841 1 6 . 1 1 142 142 THR H H 142 7.046 7.046 7.306 -0.260 17604 3842 1 6 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.221 0.723 17604 3843 1 6 . 1 1 143 143 PRO C C 143 178.463 178.463 177.782 0.681 17604 3844 1 6 . 1 1 144 144 ASN N N 144 116.489 116.489 115.032 1.457 17604 3845 1 6 . 1 1 144 144 ASN C C 144 177.480 177.480 177.413 0.067 17604 3846 1 6 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.318 -0.214 17604 3847 1 6 . 1 1 144 144 ASN H H 144 8.194 8.194 8.573 -0.379 17604 3848 1 6 . 1 1 145 145 ARG N N 145 121.900 121.900 120.474 1.426 17604 3849 1 6 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.014 -0.112 17604 3850 1 6 . 1 1 145 145 ARG C C 145 176.937 176.937 178.023 -1.086 17604 3851 1 6 . 1 1 145 145 ARG CA C 145 57.561 57.561 58.996 -1.435 17604 3852 1 6 . 1 1 145 145 ARG H H 145 7.854 7.854 8.191 -0.337 17604 3853 1 6 . 1 1 146 146 ALA N N 146 119.119 119.119 121.688 -2.569 17604 3854 1 6 . 1 1 146 146 ALA HA H 146 3.985 3.985 3.768 0.217 17604 3855 1 6 . 1 1 146 146 ALA C C 146 179.367 179.367 178.854 0.513 17604 3856 1 6 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.003 0.283 17604 3857 1 6 . 1 1 146 146 ALA H H 146 8.439 8.439 8.210 0.229 17604 3858 1 6 . 1 1 147 147 LYS N N 147 116.600 116.600 119.069 -2.469 17604 3859 1 6 . 1 1 147 147 LYS C C 147 180.052 180.052 178.933 1.119 17604 3860 1 6 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.967 0.677 17604 3861 1 6 . 1 1 147 147 LYS H H 147 8.066 8.066 8.268 -0.202 17604 3862 1 6 . 1 1 148 148 ARG N N 148 119.327 119.327 118.843 0.484 17604 3863 1 6 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.946 -0.172 17604 3864 1 6 . 1 1 148 148 ARG C C 148 180.211 180.211 179.006 1.205 17604 3865 1 6 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.340 1.076 17604 3866 1 6 . 1 1 148 148 ARG H H 148 7.489 7.489 7.581 -0.092 17604 3867 1 6 . 1 1 149 149 VAL N N 149 125.204 125.204 120.548 4.656 17604 3868 1 6 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.815 -0.426 17604 3869 1 6 . 1 1 149 149 VAL C C 149 178.523 178.523 178.368 0.155 17604 3870 1 6 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.680 1.615 17604 3871 1 6 . 1 1 149 149 VAL H H 149 8.876 8.876 7.793 1.083 17604 3872 1 6 . 1 1 150 150 ILE N N 150 121.036 121.036 121.080 -0.044 17604 3873 1 6 . 1 1 150 150 ILE HA H 150 3.893 3.893 4.018 -0.125 17604 3874 1 6 . 1 1 150 150 ILE C C 150 178.541 178.541 178.323 0.218 17604 3875 1 6 . 1 1 150 150 ILE H H 150 9.322 9.322 8.995 0.327 17604 3876 1 6 . 1 1 151 151 THR N N 151 117.932 117.932 116.823 1.109 17604 3877 1 6 . 1 1 151 151 THR C C 151 176.418 176.418 176.574 -0.156 17604 3878 1 6 . 1 1 151 151 THR CA C 151 67.495 67.495 67.663 -0.168 17604 3879 1 6 . 1 1 151 151 THR H H 151 8.382 8.382 8.555 -0.173 17604 3880 1 6 . 1 1 152 152 THR N N 152 121.769 121.769 119.772 1.997 17604 3881 1 6 . 1 1 152 152 THR HA H 152 4.117 4.117 4.202 -0.085 17604 3882 1 6 . 1 1 152 152 THR C C 152 176.328 176.328 176.314 0.014 17604 3883 1 6 . 1 1 152 152 THR CA C 152 67.646 67.646 66.898 0.748 17604 3884 1 6 . 1 1 152 152 THR H H 152 7.982 7.982 7.796 0.186 17604 3885 1 6 . 1 1 153 153 PHE N N 153 120.509 120.509 121.265 -0.756 17604 3886 1 6 . 1 1 153 153 PHE C C 153 177.848 177.848 177.412 0.436 17604 3887 1 6 . 1 1 153 153 PHE H H 153 8.410 8.410 8.277 0.133 17604 3888 1 6 . 1 1 154 154 ARG N N 154 117.947 117.947 119.637 -1.690 17604 3889 1 6 . 1 1 154 154 ARG C C 154 178.389 178.389 178.497 -0.108 17604 3890 1 6 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.917 -0.145 17604 3891 1 6 . 1 1 154 154 ARG H H 154 8.733 8.733 8.446 0.287 17604 3892 1 6 . 1 1 155 155 THR N N 155 105.055 105.055 108.844 -3.789 17604 3893 1 6 . 1 1 155 155 THR HA H 155 4.235 4.235 4.302 -0.067 17604 3894 1 6 . 1 1 155 155 THR C C 155 176.705 176.705 175.765 0.940 17604 3895 1 6 . 1 1 155 155 THR CA C 155 62.225 62.225 62.127 0.098 17604 3896 1 6 . 1 1 155 155 THR H H 155 8.219 8.219 7.916 0.303 17604 3897 1 6 . 1 1 156 156 GLY N N 156 111.712 111.712 112.337 -0.625 17604 3898 1 6 . 1 1 156 156 GLY C C 156 172.901 172.901 174.181 -1.280 17604 3899 1 6 . 1 1 156 156 GLY H H 156 8.500 8.500 8.024 0.476 17604 3900 1 6 . 1 1 157 157 THR N N 157 108.367 108.367 110.526 -2.159 17604 3901 1 6 . 1 1 157 157 THR HA H 157 4.646 4.646 4.380 0.266 17604 3902 1 6 . 1 1 157 157 THR C C 157 174.042 174.042 173.023 1.019 17604 3903 1 6 . 1 1 157 157 THR CA C 157 58.745 58.745 59.413 -0.667 17604 3904 1 6 . 1 1 157 157 THR H H 157 7.568 7.568 7.264 0.304 17604 3905 1 6 . 1 1 158 158 TRP N N 158 117.864 117.864 119.658 -1.794 17604 3906 1 6 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.934 0.091 17604 3907 1 6 . 1 1 158 158 TRP C C 158 178.088 178.088 176.840 1.248 17604 3908 1 6 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.448 -0.310 17604 3909 1 6 . 1 1 158 158 TRP H H 158 8.512 8.512 8.610 -0.098 17604 3910 1 6 . 1 1 159 159 ASP N N 159 119.522 119.522 122.110 -2.588 17604 3911 1 6 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.460 -0.264 17604 3912 1 6 . 1 1 159 159 ASP C C 159 177.430 177.430 178.071 -0.641 17604 3913 1 6 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.606 1.052 17604 3914 1 6 . 1 1 159 159 ASP H H 159 7.972 7.972 7.810 0.162 17604 3915 1 6 . 1 1 160 160 ALA N N 160 119.939 119.939 121.167 -1.228 17604 3916 1 6 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.181 -0.008 17604 3917 1 6 . 1 1 160 160 ALA C C 160 177.293 177.293 177.932 -0.639 17604 3918 1 6 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.659 -0.079 17604 3919 1 6 . 1 1 160 160 ALA H H 160 9.143 9.143 8.344 0.799 17604 3920 1 6 . 1 1 161 161 TYR N N 161 113.613 113.613 113.344 0.269 17604 3921 1 6 . 1 1 161 161 TYR C C 161 175.078 175.078 177.427 -2.349 17604 3922 1 6 . 1 1 161 161 TYR H H 161 8.071 8.071 8.016 0.055 17604 3923 1 6 . 1 1 162 162 LYS N N 162 119.559 119.559 120.357 -0.798 17604 3924 1 6 . 1 1 162 162 LYS C C 162 176.124 176.124 177.876 -1.752 17604 3925 1 6 . 1 1 162 162 LYS H H 162 7.266 7.266 7.670 -0.404 17604 3926 1 6 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 3927 1 6 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.681 -0.154 17604 3928 1 6 . 1 1 163 163 ASN C C 163 173.671 173.671 175.325 -1.654 17604 3929 1 6 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.504 0.537 17604 3930 1 6 . 1 1 163 163 ASN H H 163 8.629 8.629 8.407 0.222 17604 3931 1 7 . 1 1 2 2 ASN N N 2 115.717 115.717 119.815 -4.098 17604 3932 1 7 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.572 -0.061 17604 3933 1 7 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.049 0.376 17604 3934 1 7 . 1 1 2 2 ASN H H 2 6.884 6.884 7.740 -0.856 17604 3935 1 7 . 1 1 3 3 ILE N N 3 116.556 116.556 119.947 -3.391 17604 3936 1 7 . 1 1 3 3 ILE C C 3 174.025 174.025 176.417 -2.392 17604 3937 1 7 . 1 1 3 3 ILE H H 3 8.891 8.891 8.487 0.404 17604 3938 1 7 . 1 1 4 4 PHE N N 4 121.687 121.687 118.783 2.904 17604 3939 1 7 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.177 -0.099 17604 3940 1 7 . 1 1 4 4 PHE C C 4 177.177 177.177 178.069 -0.892 17604 3941 1 7 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.330 -1.731 17604 3942 1 7 . 1 1 4 4 PHE H H 4 7.295 7.295 8.001 -0.706 17604 3943 1 7 . 1 1 5 5 GLU N N 5 118.203 118.203 119.566 -1.363 17604 3944 1 7 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.912 -0.071 17604 3945 1 7 . 1 1 5 5 GLU C C 5 178.279 178.279 179.040 -0.761 17604 3946 1 7 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.171 -0.395 17604 3947 1 7 . 1 1 5 5 GLU H H 5 7.886 7.886 8.603 -0.717 17604 3948 1 7 . 1 1 6 6 MET N N 6 118.175 118.175 120.958 -2.783 17604 3949 1 7 . 1 1 6 6 MET HA H 6 3.243 3.243 3.808 -0.565 17604 3950 1 7 . 1 1 6 6 MET C C 6 177.116 177.116 178.064 -0.948 17604 3951 1 7 . 1 1 6 6 MET CA C 6 58.652 58.652 59.270 -0.618 17604 3952 1 7 . 1 1 7 7 LEU N N 7 116.108 116.108 118.426 -2.318 17604 3953 1 7 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.966 -0.012 17604 3954 1 7 . 1 1 7 7 LEU C C 7 178.529 178.529 178.738 -0.209 17604 3955 1 7 . 1 1 7 7 LEU H H 7 8.029 8.029 8.231 -0.202 17604 3956 1 7 . 1 1 8 8 ARG N N 8 120.650 120.650 120.106 0.544 17604 3957 1 7 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.844 -0.281 17604 3958 1 7 . 1 1 8 8 ARG C C 8 180.117 180.117 178.761 1.356 17604 3959 1 7 . 1 1 8 8 ARG H H 8 8.121 8.121 8.131 -0.010 17604 3960 1 7 . 1 1 9 9 ILE N N 9 120.885 120.885 118.687 2.198 17604 3961 1 7 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.767 -0.280 17604 3962 1 7 . 1 1 9 9 ILE C C 9 177.395 177.395 177.358 0.037 17604 3963 1 7 . 1 1 9 9 ILE H H 9 7.619 7.619 7.970 -0.351 17604 3964 1 7 . 1 1 10 10 ASP N N 10 117.684 117.684 117.846 -0.162 17604 3965 1 7 . 1 1 10 10 ASP C C 10 177.857 177.857 178.342 -0.485 17604 3966 1 7 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.991 1.271 17604 3967 1 7 . 1 1 10 10 ASP H H 10 8.012 8.012 7.988 0.024 17604 3968 1 7 . 1 1 11 11 GLU N N 11 115.103 115.103 116.144 -1.041 17604 3969 1 7 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.552 -0.004 17604 3970 1 7 . 1 1 11 11 GLU C C 11 178.204 178.204 177.063 1.141 17604 3971 1 7 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.647 -0.240 17604 3972 1 7 . 1 1 11 11 GLU H H 11 8.837 8.837 8.320 0.517 17604 3973 1 7 . 1 1 12 12 GLY N N 12 109.255 109.255 108.546 0.709 17604 3974 1 7 . 1 1 12 12 GLY C C 12 170.041 170.041 171.926 -1.885 17604 3975 1 7 . 1 1 13 13 LEU N N 13 117.280 117.280 121.458 -4.178 17604 3976 1 7 . 1 1 13 13 LEU C C 13 175.609 175.609 175.114 0.495 17604 3977 1 7 . 1 1 13 13 LEU H H 13 7.770 7.770 8.208 -0.438 17604 3978 1 7 . 1 1 14 14 ARG N N 14 126.444 126.444 125.080 1.364 17604 3979 1 7 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.654 0.011 17604 3980 1 7 . 1 1 14 14 ARG C C 14 175.900 175.900 175.902 -0.002 17604 3981 1 7 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.878 -0.787 17604 3982 1 7 . 1 1 14 14 ARG H H 14 8.272 8.272 8.226 0.046 17604 3983 1 7 . 1 1 15 15 LEU N N 15 122.951 122.951 121.325 1.626 17604 3984 1 7 . 1 1 15 15 LEU C C 15 173.723 173.723 176.045 -2.322 17604 3985 1 7 . 1 1 15 15 LEU H H 15 8.806 8.806 8.649 0.157 17604 3986 1 7 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 3987 1 7 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 3988 1 7 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 3989 1 7 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 3990 1 7 . 1 1 16 16 LYS H H 16 7.124 7.124 7.317 -0.193 17604 3991 1 7 . 1 1 17 17 ILE N N 17 120.664 120.664 126.323 -5.659 17604 3992 1 7 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.292 -0.159 17604 3993 1 7 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 3994 1 7 . 1 1 17 17 ILE H H 17 7.556 7.556 8.258 -0.702 17604 3995 1 7 . 1 1 18 18 TYR N N 18 127.713 127.713 125.979 1.734 17604 3996 1 7 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.115 -0.001 17604 3997 1 7 . 1 1 18 18 TYR C C 18 172.709 172.709 173.525 -0.816 17604 3998 1 7 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.293 -0.005 17604 3999 1 7 . 1 1 18 18 TYR H H 18 9.391 9.391 9.092 0.299 17604 4000 1 7 . 1 1 19 19 LYS N N 19 122.584 122.584 120.910 1.674 17604 4001 1 7 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.551 0.012 17604 4002 1 7 . 1 1 19 19 LYS C C 19 176.060 176.060 176.218 -0.158 17604 4003 1 7 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.003 0.022 17604 4004 1 7 . 1 1 19 19 LYS H H 19 8.342 8.342 8.411 -0.069 17604 4005 1 7 . 1 1 20 20 ASP N N 20 124.864 124.864 124.503 0.361 17604 4006 1 7 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.748 -0.177 17604 4007 1 7 . 1 1 20 20 ASP C C 20 178.088 178.088 178.259 -0.171 17604 4008 1 7 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.172 -0.452 17604 4009 1 7 . 1 1 20 20 ASP H H 20 8.509 8.509 8.814 -0.305 17604 4010 1 7 . 1 1 21 21 THR N N 21 110.253 110.253 109.974 0.279 17604 4011 1 7 . 1 1 21 21 THR HA H 21 3.978 3.978 4.032 -0.054 17604 4012 1 7 . 1 1 21 21 THR C C 21 175.847 175.847 175.629 0.218 17604 4013 1 7 . 1 1 21 21 THR CA C 21 65.115 65.115 64.710 0.405 17604 4014 1 7 . 1 1 21 21 THR H H 21 7.975 7.975 8.686 -0.711 17604 4015 1 7 . 1 1 22 22 GLU N N 22 120.058 120.058 119.455 0.603 17604 4016 1 7 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.196 -0.036 17604 4017 1 7 . 1 1 22 22 GLU C C 22 175.511 175.511 176.410 -0.899 17604 4018 1 7 . 1 1 22 22 GLU CA C 22 55.972 55.972 56.147 -0.175 17604 4019 1 7 . 1 1 23 23 GLY N N 23 106.801 106.801 106.729 0.072 17604 4020 1 7 . 1 1 23 23 GLY C C 23 173.498 173.498 174.048 -0.550 17604 4021 1 7 . 1 1 23 23 GLY H H 23 7.831 7.831 7.797 0.034 17604 4022 1 7 . 1 1 24 24 TYR N N 24 120.577 120.577 119.509 1.068 17604 4023 1 7 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.513 0.436 17604 4024 1 7 . 1 1 24 24 TYR C C 24 177.646 177.646 175.788 1.858 17604 4025 1 7 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.461 -1.756 17604 4026 1 7 . 1 1 24 24 TYR H H 24 8.190 8.190 8.062 0.128 17604 4027 1 7 . 1 1 25 25 TYR N N 25 122.599 122.599 123.192 -0.593 17604 4028 1 7 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.891 0.002 17604 4029 1 7 . 1 1 25 25 TYR C C 25 175.225 175.225 176.205 -0.980 17604 4030 1 7 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.012 -0.181 17604 4031 1 7 . 1 1 25 25 TYR H H 25 8.730 8.730 8.883 -0.153 17604 4032 1 7 . 1 1 26 26 THR N N 26 120.566 120.566 118.043 2.523 17604 4033 1 7 . 1 1 26 26 THR C C 26 170.704 170.704 172.612 -1.908 17604 4034 1 7 . 1 1 26 26 THR CA C 26 60.848 60.848 61.283 -0.435 17604 4035 1 7 . 1 1 26 26 THR H H 26 9.394 9.394 9.069 0.325 17604 4036 1 7 . 1 1 27 27 ILE N N 27 120.480 120.480 120.682 -0.202 17604 4037 1 7 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.519 0.116 17604 4038 1 7 . 1 1 27 27 ILE C C 27 172.588 172.588 174.640 -2.052 17604 4039 1 7 . 1 1 27 27 ILE H H 27 8.842 8.842 8.535 0.307 17604 4040 1 7 . 1 1 28 28 GLY N N 28 112.034 112.034 112.807 -0.773 17604 4041 1 7 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 4042 1 7 . 1 1 28 28 GLY H H 28 8.585 8.585 8.801 -0.216 17604 4043 1 7 . 1 1 29 29 ILE N N 29 134.307 134.307 125.113 9.194 17604 4044 1 7 . 1 1 29 29 ILE C C 29 176.641 176.641 176.625 0.016 17604 4045 1 7 . 1 1 29 29 ILE H H 29 10.269 10.269 8.650 1.619 17604 4046 1 7 . 1 1 30 30 GLY N N 30 107.697 107.697 112.470 -4.773 17604 4047 1 7 . 1 1 30 30 GLY C C 30 173.103 173.103 174.274 -1.171 17604 4048 1 7 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.083 0.564 17604 4049 1 7 . 1 1 30 30 GLY H H 30 8.159 8.159 8.395 -0.236 17604 4050 1 7 . 1 1 31 31 HIS N N 31 115.580 115.580 120.151 -4.571 17604 4051 1 7 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.659 -0.315 17604 4052 1 7 . 1 1 31 31 HIS C C 31 173.242 173.242 174.623 -1.381 17604 4053 1 7 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.882 1.775 17604 4054 1 7 . 1 1 31 31 HIS H H 31 8.274 8.274 8.425 -0.151 17604 4055 1 7 . 1 1 32 32 LEU N N 32 131.965 131.965 128.688 3.277 17604 4056 1 7 . 1 1 32 32 LEU C C 32 176.441 176.441 175.665 0.776 17604 4057 1 7 . 1 1 32 32 LEU H H 32 7.916 7.916 8.311 -0.395 17604 4058 1 7 . 1 1 33 33 LEU N N 33 125.891 125.891 126.387 -0.496 17604 4059 1 7 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.372 0.125 17604 4060 1 7 . 1 1 33 33 LEU C C 33 176.188 176.188 177.132 -0.944 17604 4061 1 7 . 1 1 33 33 LEU H H 33 9.078 9.078 8.790 0.288 17604 4062 1 7 . 1 1 34 34 THR N N 34 109.694 109.694 109.033 0.661 17604 4063 1 7 . 1 1 34 34 THR HA H 34 4.465 4.465 4.395 0.070 17604 4064 1 7 . 1 1 34 34 THR C C 34 171.627 171.627 172.308 -0.681 17604 4065 1 7 . 1 1 34 34 THR CA C 34 60.050 60.050 61.366 -1.316 17604 4066 1 7 . 1 1 34 34 THR H H 34 7.266 7.266 7.387 -0.121 17604 4067 1 7 . 1 1 35 35 LYS N N 35 124.851 124.851 122.575 2.276 17604 4068 1 7 . 1 1 35 35 LYS C C 35 176.730 176.730 176.762 -0.032 17604 4069 1 7 . 1 1 35 35 LYS H H 35 8.583 8.583 8.284 0.299 17604 4070 1 7 . 1 1 36 36 SER N N 36 119.457 119.457 117.704 1.753 17604 4071 1 7 . 1 1 36 36 SER H H 36 8.748 8.748 7.819 0.929 17604 4072 1 7 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.580 0.305 17604 4073 1 7 . 1 1 37 37 PRO C C 37 177.051 177.051 176.805 0.246 17604 4074 1 7 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.433 -0.204 17604 4075 1 7 . 1 1 38 38 SER N N 38 116.302 116.302 116.094 0.208 17604 4076 1 7 . 1 1 38 38 SER HA H 38 4.730 4.730 4.571 0.159 17604 4077 1 7 . 1 1 38 38 SER C C 38 174.400 174.400 175.315 -0.915 17604 4078 1 7 . 1 1 38 38 SER CA C 38 56.315 56.315 56.688 -0.373 17604 4079 1 7 . 1 1 38 38 SER H H 38 8.230 8.230 7.749 0.481 17604 4080 1 7 . 1 1 39 39 LEU N N 39 133.066 133.066 130.483 2.583 17604 4081 1 7 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.351 0.093 17604 4082 1 7 . 1 1 39 39 LEU C C 39 178.462 178.462 177.570 0.892 17604 4083 1 7 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 4084 1 7 . 1 1 40 40 ASN N N 40 116.781 116.781 117.516 -0.735 17604 4085 1 7 . 1 1 40 40 ASN C C 40 178.279 178.279 177.436 0.843 17604 4086 1 7 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 4087 1 7 . 1 1 41 41 ALA N N 41 123.917 123.917 122.977 0.940 17604 4088 1 7 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.998 0.215 17604 4089 1 7 . 1 1 41 41 ALA C C 41 179.882 179.882 178.895 0.987 17604 4090 1 7 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.930 -0.217 17604 4091 1 7 . 1 1 41 41 ALA H H 41 7.746 7.746 7.596 0.150 17604 4092 1 7 . 1 1 42 42 ALA N N 42 120.972 120.972 121.299 -0.327 17604 4093 1 7 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.878 -0.137 17604 4094 1 7 . 1 1 42 42 ALA C C 42 178.822 178.822 179.455 -0.633 17604 4095 1 7 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.106 0.327 17604 4096 1 7 . 1 1 42 42 ALA H H 42 7.593 7.593 7.859 -0.266 17604 4097 1 7 . 1 1 43 43 LYS N N 43 117.113 117.113 118.138 -1.025 17604 4098 1 7 . 1 1 43 43 LYS C C 43 177.715 177.715 178.922 -1.207 17604 4099 1 7 . 1 1 43 43 LYS H H 43 8.400 8.400 8.252 0.148 17604 4100 1 7 . 1 1 44 44 SER N N 44 113.825 113.825 115.253 -1.428 17604 4101 1 7 . 1 1 44 44 SER C C 44 177.955 177.955 176.609 1.346 17604 4102 1 7 . 1 1 44 44 SER CA C 44 61.708 61.708 61.395 0.312 17604 4103 1 7 . 1 1 44 44 SER H H 44 7.927 7.927 8.147 -0.220 17604 4104 1 7 . 1 1 45 45 GLU N N 45 120.104 120.104 121.232 -1.128 17604 4105 1 7 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.044 0.077 17604 4106 1 7 . 1 1 45 45 GLU C C 45 179.367 179.367 179.152 0.215 17604 4107 1 7 . 1 1 45 45 GLU CA C 45 58.516 58.516 59.001 -0.485 17604 4108 1 7 . 1 1 46 46 LEU N N 46 122.714 122.714 122.368 0.346 17604 4109 1 7 . 1 1 46 46 LEU C C 46 177.304 177.304 178.309 -1.005 17604 4110 1 7 . 1 1 46 46 LEU H H 46 8.304 8.304 8.319 -0.015 17604 4111 1 7 . 1 1 47 47 ASP N N 47 120.220 120.220 119.881 0.339 17604 4112 1 7 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 4113 1 7 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.419 -0.153 17604 4114 1 7 . 1 1 47 47 ASP H H 47 8.651 8.651 8.426 0.225 17604 4115 1 7 . 1 1 48 48 LYS N N 48 120.884 120.884 120.007 0.877 17604 4116 1 7 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.064 -0.054 17604 4117 1 7 . 1 1 48 48 LYS C C 48 178.238 178.238 178.307 -0.069 17604 4118 1 7 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.871 0.239 17604 4119 1 7 . 1 1 48 48 LYS H H 48 7.794 7.794 7.932 -0.138 17604 4120 1 7 . 1 1 49 49 ALA N N 49 121.076 121.076 121.931 -0.855 17604 4121 1 7 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.222 -0.056 17604 4122 1 7 . 1 1 49 49 ALA C C 49 179.471 179.471 179.199 0.272 17604 4123 1 7 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.555 -0.188 17604 4124 1 7 . 1 1 49 49 ALA H H 49 7.926 7.926 7.968 -0.042 17604 4125 1 7 . 1 1 50 50 ILE N N 50 114.845 114.845 115.948 -1.103 17604 4126 1 7 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.049 0.028 17604 4127 1 7 . 1 1 50 50 ILE C C 50 177.256 177.256 177.209 0.047 17604 4128 1 7 . 1 1 50 50 ILE H H 50 8.379 8.379 7.713 0.666 17604 4129 1 7 . 1 1 51 51 GLY N N 51 109.206 109.206 109.791 -0.585 17604 4130 1 7 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 4131 1 7 . 1 1 51 51 GLY H H 51 8.380 8.380 8.380 0.000 17604 4132 1 7 . 1 1 52 52 ARG N N 52 115.489 115.489 116.556 -1.067 17604 4133 1 7 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.523 0.043 17604 4134 1 7 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 4135 1 7 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 4136 1 7 . 1 1 53 53 ASN N N 53 115.422 115.422 120.468 -5.046 17604 4137 1 7 . 1 1 53 53 ASN C C 53 175.434 175.434 174.995 0.439 17604 4138 1 7 . 1 1 53 53 ASN H H 53 8.275 8.275 8.687 -0.412 17604 4139 1 7 . 1 1 54 54 THR N N 54 119.611 119.611 118.035 1.576 17604 4140 1 7 . 1 1 54 54 THR HA H 54 4.303 4.303 4.497 -0.194 17604 4141 1 7 . 1 1 54 54 THR C C 54 177.316 177.316 174.678 2.638 17604 4142 1 7 . 1 1 54 54 THR CA C 54 63.742 63.742 60.888 2.854 17604 4143 1 7 . 1 1 54 54 THR H H 54 9.079 9.079 8.773 0.306 17604 4144 1 7 . 1 1 55 55 ASN N N 55 120.102 120.102 118.448 1.654 17604 4145 1 7 . 1 1 55 55 ASN C C 55 175.771 175.771 175.672 0.099 17604 4146 1 7 . 1 1 55 55 ASN H H 55 9.477 9.477 8.342 1.135 17604 4147 1 7 . 1 1 56 56 GLY N N 56 102.932 102.932 108.261 -5.329 17604 4148 1 7 . 1 1 56 56 GLY C C 56 172.123 172.123 172.906 -0.783 17604 4149 1 7 . 1 1 56 56 GLY H H 56 8.688 8.688 7.804 0.884 17604 4150 1 7 . 1 1 57 57 VAL N N 57 120.312 120.312 118.572 1.740 17604 4151 1 7 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 4152 1 7 . 1 1 57 57 VAL C C 57 174.887 174.887 174.880 0.007 17604 4153 1 7 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.691 0.973 17604 4154 1 7 . 1 1 57 57 VAL H H 57 7.473 7.473 7.423 0.050 17604 4155 1 7 . 1 1 58 58 ILE N N 58 116.909 116.909 121.348 -4.439 17604 4156 1 7 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.093 -0.217 17604 4157 1 7 . 1 1 58 58 ILE C C 58 175.410 175.410 175.213 0.197 17604 4158 1 7 . 1 1 58 58 ILE H H 58 8.545 8.545 9.074 -0.529 17604 4159 1 7 . 1 1 59 59 THR N N 59 109.210 109.210 112.613 -3.403 17604 4160 1 7 . 1 1 59 59 THR HA H 59 4.619 4.619 4.660 -0.041 17604 4161 1 7 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 4162 1 7 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 4163 1 7 . 1 1 59 59 THR H H 59 8.694 8.694 9.056 -0.362 17604 4164 1 7 . 1 1 60 60 LYS N N 60 121.466 121.466 121.691 -0.225 17604 4165 1 7 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.957 -0.092 17604 4166 1 7 . 1 1 60 60 LYS C C 60 178.086 178.086 178.330 -0.244 17604 4167 1 7 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.462 0.394 17604 4168 1 7 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 4169 1 7 . 1 1 61 61 ASP N N 61 117.243 117.243 118.409 -1.166 17604 4170 1 7 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.408 -0.058 17604 4171 1 7 . 1 1 61 61 ASP C C 61 179.628 179.628 179.025 0.603 17604 4172 1 7 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.522 -0.328 17604 4173 1 7 . 1 1 61 61 ASP H H 61 8.252 8.252 8.532 -0.280 17604 4174 1 7 . 1 1 62 62 GLU N N 62 121.473 121.473 120.194 1.279 17604 4175 1 7 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.067 -0.184 17604 4176 1 7 . 1 1 62 62 GLU C C 62 178.781 178.781 178.826 -0.045 17604 4177 1 7 . 1 1 62 62 GLU H H 62 7.713 7.713 7.904 -0.191 17604 4178 1 7 . 1 1 63 63 ALA N N 63 121.213 121.213 122.794 -1.581 17604 4179 1 7 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.954 -0.060 17604 4180 1 7 . 1 1 63 63 ALA C C 63 180.801 180.801 179.765 1.036 17604 4181 1 7 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.690 -0.585 17604 4182 1 7 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 4183 1 7 . 1 1 64 64 GLU N N 64 119.853 119.853 118.218 1.635 17604 4184 1 7 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.188 -0.003 17604 4185 1 7 . 1 1 64 64 GLU C C 64 177.889 177.889 178.923 -1.034 17604 4186 1 7 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.418 0.874 17604 4187 1 7 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 4188 1 7 . 1 1 65 65 LYS N N 65 122.118 122.118 121.370 0.748 17604 4189 1 7 . 1 1 65 65 LYS C C 65 179.896 179.896 179.011 0.885 17604 4190 1 7 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.643 0.045 17604 4191 1 7 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 4192 1 7 . 1 1 66 66 LEU N N 66 118.262 118.262 119.328 -1.066 17604 4193 1 7 . 1 1 66 66 LEU C C 66 177.988 177.988 179.117 -1.129 17604 4194 1 7 . 1 1 66 66 LEU H H 66 7.705 7.705 8.104 -0.399 17604 4195 1 7 . 1 1 67 67 PHE N N 67 118.838 118.838 120.251 -1.413 17604 4196 1 7 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.317 0.951 17604 4197 1 7 . 1 1 67 67 PHE C C 67 177.256 177.256 177.577 -0.321 17604 4198 1 7 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.851 -1.162 17604 4199 1 7 . 1 1 67 67 PHE H H 67 8.060 8.060 8.471 -0.411 17604 4200 1 7 . 1 1 68 68 ASN N N 68 117.691 117.691 117.419 0.272 17604 4201 1 7 . 1 1 68 68 ASN C C 68 178.790 178.790 177.588 1.202 17604 4202 1 7 . 1 1 68 68 ASN H H 68 8.473 8.473 8.580 -0.107 17604 4203 1 7 . 1 1 69 69 GLN N N 69 118.450 118.450 119.196 -0.746 17604 4204 1 7 . 1 1 69 69 GLN C C 69 178.971 178.971 178.453 0.518 17604 4205 1 7 . 1 1 69 69 GLN H H 69 7.788 7.788 8.099 -0.311 17604 4206 1 7 . 1 1 70 70 ASP N N 70 123.108 123.108 120.948 2.160 17604 4207 1 7 . 1 1 70 70 ASP C C 70 179.925 179.925 178.970 0.955 17604 4208 1 7 . 1 1 70 70 ASP H H 70 8.857 8.857 8.479 0.378 17604 4209 1 7 . 1 1 71 71 VAL N N 71 125.622 125.622 120.739 4.883 17604 4210 1 7 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.525 0.066 17604 4211 1 7 . 1 1 71 71 VAL C C 71 177.173 177.173 177.556 -0.383 17604 4212 1 7 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.822 1.568 17604 4213 1 7 . 1 1 71 71 VAL H H 71 9.017 9.017 8.395 0.622 17604 4214 1 7 . 1 1 72 72 ASP N N 72 118.829 118.829 119.985 -1.156 17604 4215 1 7 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.244 0.109 17604 4216 1 7 . 1 1 72 72 ASP C C 72 178.629 178.629 178.178 0.451 17604 4217 1 7 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.308 0.317 17604 4218 1 7 . 1 1 72 72 ASP H H 72 7.605 7.605 8.154 -0.549 17604 4219 1 7 . 1 1 73 73 ALA N N 73 119.829 119.829 121.695 -1.866 17604 4220 1 7 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.023 0.005 17604 4221 1 7 . 1 1 73 73 ALA C C 73 180.382 180.382 179.540 0.842 17604 4222 1 7 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.047 0.092 17604 4223 1 7 . 1 1 73 73 ALA H H 73 8.344 8.344 8.245 0.099 17604 4224 1 7 . 1 1 74 74 ALA N N 74 123.039 123.039 121.827 1.212 17604 4225 1 7 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.970 0.197 17604 4226 1 7 . 1 1 74 74 ALA C C 74 179.701 179.701 179.506 0.195 17604 4227 1 7 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.816 -0.145 17604 4228 1 7 . 1 1 74 74 ALA H H 74 7.877 7.877 7.692 0.185 17604 4229 1 7 . 1 1 75 75 VAL H H 75 8.180 8.180 7.883 0.297 17604 4230 1 7 . 1 1 76 76 ARG N N 76 117.752 117.752 119.355 -1.603 17604 4231 1 7 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.889 -0.074 17604 4232 1 7 . 1 1 76 76 ARG C C 76 178.843 178.843 178.910 -0.067 17604 4233 1 7 . 1 1 76 76 ARG H H 76 8.416 8.416 8.658 -0.242 17604 4234 1 7 . 1 1 77 77 GLY N N 77 105.782 105.782 107.249 -1.467 17604 4235 1 7 . 1 1 77 77 GLY C C 77 176.137 176.137 175.773 0.364 17604 4236 1 7 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.719 -0.662 17604 4237 1 7 . 1 1 77 77 GLY H H 77 8.010 8.010 8.110 -0.100 17604 4238 1 7 . 1 1 78 78 ILE N N 78 121.765 121.765 122.039 -0.274 17604 4239 1 7 . 1 1 78 78 ILE C C 78 177.166 177.166 178.265 -1.099 17604 4240 1 7 . 1 1 78 78 ILE H H 78 7.502 7.502 7.733 -0.231 17604 4241 1 7 . 1 1 79 79 LEU N N 79 115.166 115.166 117.793 -2.627 17604 4242 1 7 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.018 -0.191 17604 4243 1 7 . 1 1 79 79 LEU C C 79 178.804 178.804 178.113 0.691 17604 4244 1 7 . 1 1 79 79 LEU H H 79 7.903 7.903 8.030 -0.127 17604 4245 1 7 . 1 1 80 80 ARG N N 80 114.734 114.734 114.606 0.128 17604 4246 1 7 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.312 0.015 17604 4247 1 7 . 1 1 80 80 ARG C C 80 175.118 175.118 175.789 -0.671 17604 4248 1 7 . 1 1 80 80 ARG H H 80 7.707 7.707 7.640 0.067 17604 4249 1 7 . 1 1 81 81 ASN N N 81 120.809 120.809 118.730 2.079 17604 4250 1 7 . 1 1 81 81 ASN C C 81 174.581 174.581 175.218 -0.637 17604 4251 1 7 . 1 1 81 81 ASN H H 81 7.498 7.498 7.505 -0.007 17604 4252 1 7 . 1 1 82 82 ALA N N 82 127.902 127.902 129.606 -1.704 17604 4253 1 7 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.168 -0.089 17604 4254 1 7 . 1 1 82 82 ALA C C 82 178.943 178.943 178.566 0.377 17604 4255 1 7 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.558 0.289 17604 4256 1 7 . 1 1 82 82 ALA H H 82 8.849 8.849 8.971 -0.122 17604 4257 1 7 . 1 1 83 83 LYS N N 83 114.166 114.166 117.385 -3.219 17604 4258 1 7 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.236 0.053 17604 4259 1 7 . 1 1 83 83 LYS C C 83 177.907 177.907 178.638 -0.731 17604 4260 1 7 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.551 -1.211 17604 4261 1 7 . 1 1 83 83 LYS H H 83 8.060 8.060 8.212 -0.152 17604 4262 1 7 . 1 1 84 84 LEU N N 84 116.412 116.412 120.329 -3.917 17604 4263 1 7 . 1 1 84 84 LEU C C 84 178.335 178.335 178.255 0.080 17604 4264 1 7 . 1 1 84 84 LEU H H 84 7.531 7.531 8.455 -0.924 17604 4265 1 7 . 1 1 85 85 LYS N N 85 121.080 121.080 120.625 0.455 17604 4266 1 7 . 1 1 85 85 LYS H H 85 8.462 8.462 8.396 0.066 17604 4267 1 7 . 1 1 86 86 PRO C C 86 179.959 179.959 179.203 0.756 17604 4268 1 7 . 1 1 87 87 VAL N N 87 115.566 115.566 118.696 -3.130 17604 4269 1 7 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.758 -0.014 17604 4270 1 7 . 1 1 87 87 VAL C C 87 178.545 178.545 178.272 0.273 17604 4271 1 7 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.296 -0.793 17604 4272 1 7 . 1 1 87 87 VAL H H 87 6.893 6.893 7.281 -0.388 17604 4273 1 7 . 1 1 88 88 TYR N N 88 122.544 122.544 121.247 1.297 17604 4274 1 7 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.127 -0.228 17604 4275 1 7 . 1 1 88 88 TYR C C 88 177.722 177.722 178.187 -0.465 17604 4276 1 7 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.977 0.884 17604 4277 1 7 . 1 1 88 88 TYR H H 88 8.457 8.457 8.699 -0.242 17604 4278 1 7 . 1 1 89 89 ASP N N 89 117.217 117.217 117.631 -0.414 17604 4279 1 7 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.356 -0.035 17604 4280 1 7 . 1 1 89 89 ASP C C 89 177.849 177.849 178.450 -0.601 17604 4281 1 7 . 1 1 89 89 ASP H H 89 9.103 9.103 8.923 0.180 17604 4282 1 7 . 1 1 90 90 SER N N 90 113.279 113.279 114.097 -0.818 17604 4283 1 7 . 1 1 90 90 SER HA H 90 4.424 4.424 4.336 0.088 17604 4284 1 7 . 1 1 90 90 SER C C 90 174.362 174.362 175.015 -0.653 17604 4285 1 7 . 1 1 90 90 SER CA C 90 59.655 59.655 59.558 0.097 17604 4286 1 7 . 1 1 90 90 SER H H 90 7.365 7.365 7.640 -0.275 17604 4287 1 7 . 1 1 91 91 LEU N N 91 123.395 123.395 123.684 -0.289 17604 4288 1 7 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.506 -0.082 17604 4289 1 7 . 1 1 91 91 LEU C C 91 176.268 176.268 176.804 -0.536 17604 4290 1 7 . 1 1 91 91 LEU H H 91 7.458 7.458 7.352 0.106 17604 4291 1 7 . 1 1 92 92 ASP N N 92 115.456 115.456 122.024 -6.568 17604 4292 1 7 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.476 0.147 17604 4293 1 7 . 1 1 92 92 ASP C C 92 175.560 175.560 176.709 -1.149 17604 4294 1 7 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.962 -1.786 17604 4295 1 7 . 1 1 92 92 ASP H H 92 7.401 7.401 8.452 -1.051 17604 4296 1 7 . 1 1 93 93 ALA N N 93 119.761 119.761 122.078 -2.317 17604 4297 1 7 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.040 -0.243 17604 4298 1 7 . 1 1 93 93 ALA C C 93 179.896 179.896 179.746 0.150 17604 4299 1 7 . 1 1 93 93 ALA H H 93 8.687 8.687 8.535 0.152 17604 4300 1 7 . 1 1 94 94 VAL N N 94 118.785 118.785 118.180 0.605 17604 4301 1 7 . 1 1 94 94 VAL C C 94 177.307 177.307 177.848 -0.541 17604 4302 1 7 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.775 0.170 17604 4303 1 7 . 1 1 94 94 VAL H H 94 7.822 7.822 7.581 0.241 17604 4304 1 7 . 1 1 95 95 ARG N N 95 119.046 119.046 118.642 0.404 17604 4305 1 7 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.653 -0.074 17604 4306 1 7 . 1 1 95 95 ARG C C 95 178.424 178.424 178.728 -0.304 17604 4307 1 7 . 1 1 95 95 ARG H H 95 7.766 7.766 8.080 -0.314 17604 4308 1 7 . 1 1 96 96 ARG N N 96 118.034 118.034 119.577 -1.543 17604 4309 1 7 . 1 1 96 96 ARG C C 96 177.930 177.930 178.392 -0.462 17604 4310 1 7 . 1 1 96 96 ARG H H 96 8.629 8.629 8.388 0.241 17604 4311 1 7 . 1 1 97 97 ALA N N 97 119.949 119.949 121.352 -1.403 17604 4312 1 7 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.000 0.068 17604 4313 1 7 . 1 1 97 97 ALA C C 97 178.702 178.702 178.913 -0.211 17604 4314 1 7 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.116 0.252 17604 4315 1 7 . 1 1 97 97 ALA H H 97 7.028 7.028 7.452 -0.424 17604 4316 1 7 . 1 1 98 98 ALA N N 98 118.852 118.852 121.250 -2.398 17604 4317 1 7 . 1 1 98 98 ALA C C 98 177.525 177.525 179.026 -1.501 17604 4318 1 7 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.567 0.755 17604 4319 1 7 . 1 1 98 98 ALA H H 98 7.200 7.200 7.237 -0.037 17604 4320 1 7 . 1 1 99 99 ALA N N 99 119.728 119.728 121.579 -1.851 17604 4321 1 7 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.103 -0.569 17604 4322 1 7 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.130 0.466 17604 4323 1 7 . 1 1 99 99 ALA H H 99 7.795 7.795 7.671 0.124 17604 4324 1 7 . 1 1 100 100 ILE N N 100 116.243 116.243 118.239 -1.996 17604 4325 1 7 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.533 -0.082 17604 4326 1 7 . 1 1 100 100 ILE C C 100 176.994 176.994 177.791 -0.797 17604 4327 1 7 . 1 1 100 100 ILE H H 100 8.093 8.093 8.270 -0.177 17604 4328 1 7 . 1 1 101 101 ASN N N 101 116.433 116.433 118.109 -1.676 17604 4329 1 7 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.359 -0.101 17604 4330 1 7 . 1 1 101 101 ASN C C 101 177.449 177.449 178.032 -0.583 17604 4331 1 7 . 1 1 101 101 ASN CA C 101 56.826 56.826 56.429 0.397 17604 4332 1 7 . 1 1 101 101 ASN H H 101 8.097 8.097 8.290 -0.193 17604 4333 1 7 . 1 1 102 102 MET N N 102 113.936 113.936 118.924 -4.988 17604 4334 1 7 . 1 1 102 102 MET HA H 102 3.657 3.657 3.978 -0.321 17604 4335 1 7 . 1 1 102 102 MET CA C 102 61.050 61.050 57.635 3.415 17604 4336 1 7 . 1 1 102 102 MET H H 102 7.719 7.719 7.867 -0.148 17604 4337 1 7 . 1 1 103 103 VAL N N 103 105.507 105.507 116.818 -11.311 17604 4338 1 7 . 1 1 103 103 VAL C C 103 175.510 175.510 175.729 -0.219 17604 4339 1 7 . 1 1 103 103 VAL CA C 103 61.665 61.665 62.588 -0.923 17604 4340 1 7 . 1 1 103 103 VAL H H 103 7.320 7.320 7.518 -0.198 17604 4341 1 7 . 1 1 104 104 PHE N N 104 126.466 126.466 122.620 3.846 17604 4342 1 7 . 1 1 104 104 PHE C C 104 176.939 176.939 174.529 2.410 17604 4343 1 7 . 1 1 104 104 PHE H H 104 7.877 7.877 7.402 0.475 17604 4344 1 7 . 1 1 105 105 GLN N N 105 119.920 119.920 118.656 1.264 17604 4345 1 7 . 1 1 105 105 GLN C C 105 174.943 174.943 174.516 0.427 17604 4346 1 7 . 1 1 105 105 GLN H H 105 8.540 8.540 8.406 0.134 17604 4347 1 7 . 1 1 106 106 MET N N 106 117.242 117.242 118.361 -1.119 17604 4348 1 7 . 1 1 106 106 MET HA H 106 4.146 4.146 4.663 -0.517 17604 4349 1 7 . 1 1 106 106 MET C C 106 177.126 177.126 176.870 0.256 17604 4350 1 7 . 1 1 106 106 MET CA C 106 54.786 54.786 54.660 0.126 17604 4351 1 7 . 1 1 106 106 MET H H 106 8.869 8.869 7.190 1.679 17604 4352 1 7 . 1 1 107 107 GLY N N 107 107.963 107.963 107.944 0.019 17604 4353 1 7 . 1 1 107 107 GLY C C 107 174.858 174.858 175.207 -0.349 17604 4354 1 7 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.767 1.331 17604 4355 1 7 . 1 1 107 107 GLY H H 107 7.819 7.819 8.558 -0.739 17604 4356 1 7 . 1 1 108 108 GLU N N 108 122.988 122.988 123.687 -0.699 17604 4357 1 7 . 1 1 108 108 GLU C C 108 179.500 179.500 178.572 0.928 17604 4358 1 7 . 1 1 108 108 GLU H H 108 8.778 8.778 8.846 -0.068 17604 4359 1 7 . 1 1 109 109 THR N N 109 112.024 112.024 110.714 1.310 17604 4360 1 7 . 1 1 109 109 THR HA H 109 4.193 4.193 4.148 0.045 17604 4361 1 7 . 1 1 109 109 THR C C 109 178.149 178.149 176.812 1.337 17604 4362 1 7 . 1 1 109 109 THR CA C 109 65.018 65.018 65.741 -0.723 17604 4363 1 7 . 1 1 109 109 THR H H 109 8.617 8.617 8.422 0.195 17604 4364 1 7 . 1 1 110 110 GLY N N 110 116.155 116.155 109.691 6.464 17604 4365 1 7 . 1 1 110 110 GLY C C 110 175.727 175.727 175.776 -0.049 17604 4366 1 7 . 1 1 110 110 GLY H H 110 8.631 8.631 7.702 0.929 17604 4367 1 7 . 1 1 111 111 VAL N N 111 120.428 120.428 123.038 -2.610 17604 4368 1 7 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.662 -0.026 17604 4369 1 7 . 1 1 111 111 VAL C C 111 179.055 179.055 177.531 1.524 17604 4370 1 7 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.173 0.955 17604 4371 1 7 . 1 1 111 111 VAL H H 111 8.073 8.073 7.429 0.644 17604 4372 1 7 . 1 1 112 112 ALA N N 112 124.050 124.050 122.301 1.749 17604 4373 1 7 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.067 0.148 17604 4374 1 7 . 1 1 112 112 ALA C C 112 180.059 180.059 179.626 0.433 17604 4375 1 7 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.411 0.009 17604 4376 1 7 . 1 1 112 112 ALA H H 112 8.297 8.297 8.185 0.112 17604 4377 1 7 . 1 1 113 113 GLY N N 113 105.820 105.820 106.483 -0.663 17604 4378 1 7 . 1 1 113 113 GLY C C 113 175.656 175.656 175.921 -0.265 17604 4379 1 7 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.594 0.424 17604 4380 1 7 . 1 1 113 113 GLY H H 113 8.218 8.218 7.697 0.521 17604 4381 1 7 . 1 1 114 114 PHE N N 114 122.441 122.441 122.588 -0.147 17604 4382 1 7 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.227 -0.019 17604 4383 1 7 . 1 1 114 114 PHE C C 114 177.316 177.316 178.221 -0.905 17604 4384 1 7 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.708 -0.834 17604 4385 1 7 . 1 1 114 114 PHE H H 114 8.111 8.111 8.208 -0.097 17604 4386 1 7 . 1 1 115 115 THR N N 115 114.602 114.602 116.252 -1.650 17604 4387 1 7 . 1 1 115 115 THR C C 115 176.611 176.611 176.839 -0.228 17604 4388 1 7 . 1 1 115 115 THR CA C 115 66.636 66.636 67.115 -0.479 17604 4389 1 7 . 1 1 115 115 THR H H 115 8.378 8.378 8.585 -0.207 17604 4390 1 7 . 1 1 116 116 ASN N N 116 119.071 119.071 118.777 0.294 17604 4391 1 7 . 1 1 116 116 ASN H H 116 8.276 8.276 7.783 0.493 17604 4392 1 7 . 1 1 117 117 SER C C 117 174.833 174.833 174.673 0.160 17604 4393 1 7 . 1 1 118 118 LEU N N 118 121.114 121.114 121.988 -0.874 17604 4394 1 7 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.644 0.528 17604 4395 1 7 . 1 1 118 118 LEU C C 118 177.954 177.954 177.950 0.004 17604 4396 1 7 . 1 1 118 118 LEU H H 118 7.336 7.336 7.137 0.199 17604 4397 1 7 . 1 1 119 119 ARG N N 119 117.315 117.315 118.602 -1.287 17604 4398 1 7 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.886 0.165 17604 4399 1 7 . 1 1 119 119 ARG C C 119 178.720 178.720 178.149 0.571 17604 4400 1 7 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.386 -0.765 17604 4401 1 7 . 1 1 119 119 ARG H H 119 8.329 8.329 7.925 0.404 17604 4402 1 7 . 1 1 120 120 MET N N 120 115.507 115.507 117.498 -1.991 17604 4403 1 7 . 1 1 120 120 MET HA H 120 3.969 3.969 4.126 -0.157 17604 4404 1 7 . 1 1 120 120 MET C C 120 178.161 178.161 178.759 -0.598 17604 4405 1 7 . 1 1 120 120 MET CA C 120 59.029 59.029 57.753 1.276 17604 4406 1 7 . 1 1 120 120 MET H H 120 7.408 7.408 8.002 -0.594 17604 4407 1 7 . 1 1 121 121 LEU N N 121 117.639 117.639 119.122 -1.483 17604 4408 1 7 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.943 -0.090 17604 4409 1 7 . 1 1 121 121 LEU C C 121 179.852 179.852 179.723 0.129 17604 4410 1 7 . 1 1 121 121 LEU H H 121 7.681 7.681 7.850 -0.169 17604 4411 1 7 . 1 1 122 122 GLN N N 122 120.423 120.423 119.619 0.804 17604 4412 1 7 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.023 -0.078 17604 4413 1 7 . 1 1 122 122 GLN C C 122 176.976 176.976 177.802 -0.826 17604 4414 1 7 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.222 1.168 17604 4415 1 7 . 1 1 122 122 GLN H H 122 8.689 8.689 8.029 0.660 17604 4416 1 7 . 1 1 123 123 GLN N N 123 113.631 113.631 115.610 -1.979 17604 4417 1 7 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.209 -0.137 17604 4418 1 7 . 1 1 123 123 GLN C C 123 174.455 174.455 175.086 -0.631 17604 4419 1 7 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.565 -0.385 17604 4420 1 7 . 1 1 123 123 GLN H H 123 7.251 7.251 7.469 -0.218 17604 4421 1 7 . 1 1 124 124 LYS N N 124 114.745 114.745 114.453 0.292 17604 4422 1 7 . 1 1 124 124 LYS C C 124 174.910 174.910 175.146 -0.236 17604 4423 1 7 . 1 1 124 124 LYS H H 124 7.291 7.291 7.377 -0.086 17604 4424 1 7 . 1 1 125 125 ARG N N 125 119.533 119.533 118.671 0.862 17604 4425 1 7 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.177 0.060 17604 4426 1 7 . 1 1 125 125 ARG C C 125 177.182 177.182 176.348 0.834 17604 4427 1 7 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.538 -0.353 17604 4428 1 7 . 1 1 125 125 ARG H H 125 7.715 7.715 7.839 -0.124 17604 4429 1 7 . 1 1 126 126 TRP N N 126 119.232 119.232 123.547 -4.315 17604 4430 1 7 . 1 1 126 126 TRP C C 126 178.891 178.891 177.719 1.172 17604 4431 1 7 . 1 1 126 126 TRP H H 126 6.888 6.888 7.441 -0.553 17604 4432 1 7 . 1 1 127 127 ASP N N 127 116.481 116.481 117.705 -1.224 17604 4433 1 7 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.406 0.010 17604 4434 1 7 . 1 1 127 127 ASP C C 127 178.854 178.854 178.538 0.316 17604 4435 1 7 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.989 -0.299 17604 4436 1 7 . 1 1 127 127 ASP H H 127 8.548 8.548 8.857 -0.309 17604 4437 1 7 . 1 1 128 128 GLU N N 128 120.565 120.565 120.320 0.245 17604 4438 1 7 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.029 -0.076 17604 4439 1 7 . 1 1 128 128 GLU C C 128 179.945 179.945 178.237 1.708 17604 4440 1 7 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.085 0.471 17604 4441 1 7 . 1 1 128 128 GLU H H 128 8.311 8.311 8.381 -0.070 17604 4442 1 7 . 1 1 129 129 ALA N N 129 122.262 122.262 121.982 0.280 17604 4443 1 7 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.999 0.009 17604 4444 1 7 . 1 1 129 129 ALA C C 129 178.673 178.673 179.703 -1.030 17604 4445 1 7 . 1 1 129 129 ALA H H 129 8.630 8.630 8.532 0.098 17604 4446 1 7 . 1 1 130 130 ALA N N 130 119.515 119.515 121.211 -1.696 17604 4447 1 7 . 1 1 130 130 ALA C C 130 179.789 179.789 179.602 0.187 17604 4448 1 7 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.186 0.505 17604 4449 1 7 . 1 1 130 130 ALA H H 130 8.263 8.263 8.075 0.188 17604 4450 1 7 . 1 1 131 131 VAL N N 131 117.584 117.584 118.913 -1.329 17604 4451 1 7 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.418 0.161 17604 4452 1 7 . 1 1 131 131 VAL C C 131 178.341 178.341 178.230 0.111 17604 4453 1 7 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.866 -0.744 17604 4454 1 7 . 1 1 131 131 VAL H H 131 7.883 7.883 8.253 -0.370 17604 4455 1 7 . 1 1 132 132 ASN N N 132 118.267 118.267 118.474 -0.207 17604 4456 1 7 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.477 -0.149 17604 4457 1 7 . 1 1 132 132 ASN C C 132 178.969 178.969 178.078 0.891 17604 4458 1 7 . 1 1 132 132 ASN CA C 132 56.825 56.825 56.128 0.697 17604 4459 1 7 . 1 1 133 133 LEU N N 133 121.157 121.157 120.681 0.476 17604 4460 1 7 . 1 1 133 133 LEU C C 133 179.658 179.658 179.651 0.007 17604 4461 1 7 . 1 1 133 133 LEU H H 133 8.868 8.868 8.180 0.688 17604 4462 1 7 . 1 1 134 134 ALA N N 134 121.551 121.551 121.620 -0.069 17604 4463 1 7 . 1 1 134 134 ALA C C 134 177.027 177.027 178.046 -1.019 17604 4464 1 7 . 1 1 134 134 ALA H H 134 7.720 7.720 8.072 -0.352 17604 4465 1 7 . 1 1 135 135 LYS N N 135 115.144 115.144 114.853 0.291 17604 4466 1 7 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.273 0.134 17604 4467 1 7 . 1 1 135 135 LYS C C 135 176.809 176.809 176.411 0.398 17604 4468 1 7 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.384 -0.472 17604 4469 1 7 . 1 1 135 135 LYS H H 135 7.276 7.276 7.699 -0.423 17604 4470 1 7 . 1 1 136 136 SER N N 136 115.694 115.694 115.522 0.172 17604 4471 1 7 . 1 1 136 136 SER HA H 136 4.427 4.427 4.613 -0.186 17604 4472 1 7 . 1 1 136 136 SER C C 136 174.351 174.351 175.255 -0.904 17604 4473 1 7 . 1 1 136 136 SER CA C 136 58.922 58.922 58.106 0.816 17604 4474 1 7 . 1 1 136 136 SER H H 136 7.550 7.550 7.697 -0.147 17604 4475 1 7 . 1 1 137 137 ARG N N 137 122.410 122.410 122.543 -0.133 17604 4476 1 7 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.247 0.001 17604 4477 1 7 . 1 1 137 137 ARG C C 137 178.462 178.462 178.117 0.345 17604 4478 1 7 . 1 1 137 137 ARG CA C 137 58.567 58.567 60.044 -1.477 17604 4479 1 7 . 1 1 137 137 ARG H H 137 8.694 8.694 9.077 -0.383 17604 4480 1 7 . 1 1 138 138 TRP N N 138 119.884 119.884 121.999 -2.115 17604 4481 1 7 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.359 -0.177 17604 4482 1 7 . 1 1 138 138 TRP C C 138 175.710 175.710 177.651 -1.941 17604 4483 1 7 . 1 1 138 138 TRP CA C 138 62.100 62.100 61.117 0.983 17604 4484 1 7 . 1 1 138 138 TRP H H 138 8.476 8.476 8.559 -0.083 17604 4485 1 7 . 1 1 139 139 TYR N N 139 118.715 118.715 118.505 0.210 17604 4486 1 7 . 1 1 139 139 TYR HA H 139 3.000 3.000 4.128 -1.128 17604 4487 1 7 . 1 1 139 139 TYR C C 139 175.701 175.701 176.799 -1.098 17604 4488 1 7 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.224 -1.028 17604 4489 1 7 . 1 1 139 139 TYR H H 139 7.851 7.851 7.941 -0.090 17604 4490 1 7 . 1 1 140 140 ASN N N 140 111.811 111.811 117.090 -5.279 17604 4491 1 7 . 1 1 140 140 ASN C C 140 176.521 176.521 176.724 -0.203 17604 4492 1 7 . 1 1 141 141 GLN N N 141 117.421 117.421 118.071 -0.650 17604 4493 1 7 . 1 1 141 141 GLN C C 141 176.598 176.598 176.235 0.363 17604 4494 1 7 . 1 1 141 141 GLN H H 141 7.779 7.779 8.020 -0.241 17604 4495 1 7 . 1 1 142 142 THR N N 142 111.422 111.422 114.418 -2.996 17604 4496 1 7 . 1 1 142 142 THR H H 142 7.046 7.046 7.794 -0.748 17604 4497 1 7 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.508 0.436 17604 4498 1 7 . 1 1 143 143 PRO C C 143 178.463 178.463 177.716 0.747 17604 4499 1 7 . 1 1 144 144 ASN N N 144 116.489 116.489 116.797 -0.308 17604 4500 1 7 . 1 1 144 144 ASN C C 144 177.480 177.480 177.690 -0.210 17604 4501 1 7 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.139 -0.035 17604 4502 1 7 . 1 1 144 144 ASN H H 144 8.194 8.194 8.636 -0.442 17604 4503 1 7 . 1 1 145 145 ARG N N 145 121.900 121.900 119.417 2.483 17604 4504 1 7 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.266 -0.364 17604 4505 1 7 . 1 1 145 145 ARG C C 145 176.937 176.937 178.015 -1.078 17604 4506 1 7 . 1 1 145 145 ARG CA C 145 57.561 57.561 58.927 -1.366 17604 4507 1 7 . 1 1 145 145 ARG H H 145 7.854 7.854 7.529 0.325 17604 4508 1 7 . 1 1 146 146 ALA N N 146 119.119 119.119 123.308 -4.189 17604 4509 1 7 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.316 -0.331 17604 4510 1 7 . 1 1 146 146 ALA C C 146 179.367 179.367 178.952 0.415 17604 4511 1 7 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.697 -0.411 17604 4512 1 7 . 1 1 146 146 ALA H H 146 8.439 8.439 8.201 0.238 17604 4513 1 7 . 1 1 147 147 LYS N N 147 116.600 116.600 118.490 -1.890 17604 4514 1 7 . 1 1 147 147 LYS C C 147 180.052 180.052 178.822 1.230 17604 4515 1 7 . 1 1 147 147 LYS CA C 147 60.644 60.644 60.291 0.353 17604 4516 1 7 . 1 1 147 147 LYS H H 147 8.066 8.066 8.216 -0.150 17604 4517 1 7 . 1 1 148 148 ARG N N 148 119.327 119.327 118.637 0.690 17604 4518 1 7 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.958 -0.184 17604 4519 1 7 . 1 1 148 148 ARG C C 148 180.211 180.211 178.963 1.248 17604 4520 1 7 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.170 1.246 17604 4521 1 7 . 1 1 148 148 ARG H H 148 7.489 7.489 7.636 -0.147 17604 4522 1 7 . 1 1 149 149 VAL N N 149 125.204 125.204 120.538 4.666 17604 4523 1 7 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.765 -0.376 17604 4524 1 7 . 1 1 149 149 VAL C C 149 178.523 178.523 178.307 0.216 17604 4525 1 7 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.632 1.663 17604 4526 1 7 . 1 1 149 149 VAL H H 149 8.876 8.876 7.853 1.023 17604 4527 1 7 . 1 1 150 150 ILE N N 150 121.036 121.036 120.893 0.143 17604 4528 1 7 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.916 -0.023 17604 4529 1 7 . 1 1 150 150 ILE C C 150 178.541 178.541 178.184 0.357 17604 4530 1 7 . 1 1 150 150 ILE H H 150 9.322 9.322 8.936 0.386 17604 4531 1 7 . 1 1 151 151 THR N N 151 117.932 117.932 116.802 1.130 17604 4532 1 7 . 1 1 151 151 THR C C 151 176.418 176.418 176.564 -0.146 17604 4533 1 7 . 1 1 151 151 THR CA C 151 67.495 67.495 67.651 -0.156 17604 4534 1 7 . 1 1 151 151 THR H H 151 8.382 8.382 8.537 -0.155 17604 4535 1 7 . 1 1 152 152 THR N N 152 121.769 121.769 119.755 2.014 17604 4536 1 7 . 1 1 152 152 THR HA H 152 4.117 4.117 4.195 -0.078 17604 4537 1 7 . 1 1 152 152 THR C C 152 176.328 176.328 176.304 0.024 17604 4538 1 7 . 1 1 152 152 THR CA C 152 67.646 67.646 66.882 0.764 17604 4539 1 7 . 1 1 152 152 THR H H 152 7.982 7.982 7.776 0.206 17604 4540 1 7 . 1 1 153 153 PHE N N 153 120.509 120.509 121.257 -0.748 17604 4541 1 7 . 1 1 153 153 PHE C C 153 177.848 177.848 177.426 0.422 17604 4542 1 7 . 1 1 153 153 PHE H H 153 8.410 8.410 8.248 0.162 17604 4543 1 7 . 1 1 154 154 ARG N N 154 117.947 117.947 119.600 -1.653 17604 4544 1 7 . 1 1 154 154 ARG C C 154 178.389 178.389 178.503 -0.114 17604 4545 1 7 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.920 -0.148 17604 4546 1 7 . 1 1 154 154 ARG H H 154 8.733 8.733 8.427 0.306 17604 4547 1 7 . 1 1 155 155 THR N N 155 105.055 105.055 108.820 -3.765 17604 4548 1 7 . 1 1 155 155 THR HA H 155 4.235 4.235 4.299 -0.064 17604 4549 1 7 . 1 1 155 155 THR C C 155 176.705 176.705 175.749 0.956 17604 4550 1 7 . 1 1 155 155 THR CA C 155 62.225 62.225 62.120 0.105 17604 4551 1 7 . 1 1 155 155 THR H H 155 8.219 8.219 7.910 0.309 17604 4552 1 7 . 1 1 156 156 GLY N N 156 111.712 111.712 112.329 -0.617 17604 4553 1 7 . 1 1 156 156 GLY C C 156 172.901 172.901 174.176 -1.275 17604 4554 1 7 . 1 1 156 156 GLY H H 156 8.500 8.500 8.019 0.481 17604 4555 1 7 . 1 1 157 157 THR N N 157 108.367 108.367 110.544 -2.177 17604 4556 1 7 . 1 1 157 157 THR HA H 157 4.646 4.646 4.374 0.272 17604 4557 1 7 . 1 1 157 157 THR C C 157 174.042 174.042 173.031 1.011 17604 4558 1 7 . 1 1 157 157 THR CA C 157 58.745 58.745 59.385 -0.640 17604 4559 1 7 . 1 1 157 157 THR H H 157 7.568 7.568 7.256 0.312 17604 4560 1 7 . 1 1 158 158 TRP N N 158 117.864 117.864 119.707 -1.843 17604 4561 1 7 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.935 0.089 17604 4562 1 7 . 1 1 158 158 TRP C C 158 178.088 178.088 176.870 1.218 17604 4563 1 7 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.463 -0.325 17604 4564 1 7 . 1 1 158 158 TRP H H 158 8.512 8.512 8.601 -0.089 17604 4565 1 7 . 1 1 159 159 ASP N N 159 119.522 119.522 122.146 -2.624 17604 4566 1 7 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.460 -0.264 17604 4567 1 7 . 1 1 159 159 ASP C C 159 177.430 177.430 178.099 -0.669 17604 4568 1 7 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.617 1.041 17604 4569 1 7 . 1 1 159 159 ASP H H 159 7.972 7.972 7.841 0.131 17604 4570 1 7 . 1 1 160 160 ALA N N 160 119.939 119.939 121.164 -1.225 17604 4571 1 7 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.183 -0.010 17604 4572 1 7 . 1 1 160 160 ALA C C 160 177.293 177.293 177.918 -0.625 17604 4573 1 7 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.679 -0.099 17604 4574 1 7 . 1 1 160 160 ALA H H 160 9.143 9.143 8.353 0.790 17604 4575 1 7 . 1 1 161 161 TYR N N 161 113.613 113.613 113.192 0.421 17604 4576 1 7 . 1 1 161 161 TYR C C 161 175.078 175.078 177.439 -2.361 17604 4577 1 7 . 1 1 161 161 TYR H H 161 8.071 8.071 8.030 0.041 17604 4578 1 7 . 1 1 162 162 LYS N N 162 119.559 119.559 120.352 -0.793 17604 4579 1 7 . 1 1 162 162 LYS C C 162 176.124 176.124 177.877 -1.753 17604 4580 1 7 . 1 1 162 162 LYS H H 162 7.266 7.266 7.670 -0.404 17604 4581 1 7 . 1 1 163 163 ASN N N 163 116.663 116.663 115.964 0.699 17604 4582 1 7 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.682 -0.155 17604 4583 1 7 . 1 1 163 163 ASN C C 163 173.671 173.671 175.326 -1.655 17604 4584 1 7 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.506 0.535 17604 4585 1 7 . 1 1 163 163 ASN H H 163 8.629 8.629 8.407 0.222 17604 4586 1 8 . 1 1 2 2 ASN N N 2 115.717 115.717 119.808 -4.091 17604 4587 1 8 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.573 -0.062 17604 4588 1 8 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.050 0.375 17604 4589 1 8 . 1 1 2 2 ASN H H 2 6.884 6.884 7.737 -0.853 17604 4590 1 8 . 1 1 3 3 ILE N N 3 116.556 116.556 119.939 -3.383 17604 4591 1 8 . 1 1 3 3 ILE C C 3 174.025 174.025 176.427 -2.402 17604 4592 1 8 . 1 1 3 3 ILE H H 3 8.891 8.891 8.494 0.397 17604 4593 1 8 . 1 1 4 4 PHE N N 4 121.687 121.687 118.802 2.885 17604 4594 1 8 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.194 -0.116 17604 4595 1 8 . 1 1 4 4 PHE C C 4 177.177 177.177 178.077 -0.900 17604 4596 1 8 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.284 -1.685 17604 4597 1 8 . 1 1 4 4 PHE H H 4 7.295 7.295 8.040 -0.745 17604 4598 1 8 . 1 1 5 5 GLU N N 5 118.203 118.203 119.567 -1.364 17604 4599 1 8 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.909 -0.068 17604 4600 1 8 . 1 1 5 5 GLU C C 5 178.279 178.279 179.047 -0.768 17604 4601 1 8 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.170 -0.394 17604 4602 1 8 . 1 1 5 5 GLU H H 5 7.886 7.886 8.599 -0.713 17604 4603 1 8 . 1 1 6 6 MET N N 6 118.175 118.175 120.937 -2.762 17604 4604 1 8 . 1 1 6 6 MET HA H 6 3.243 3.243 3.800 -0.557 17604 4605 1 8 . 1 1 6 6 MET C C 6 177.116 177.116 178.062 -0.946 17604 4606 1 8 . 1 1 6 6 MET CA C 6 58.652 58.652 59.266 -0.613 17604 4607 1 8 . 1 1 7 7 LEU N N 7 116.108 116.108 118.386 -2.278 17604 4608 1 8 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.951 0.003 17604 4609 1 8 . 1 1 7 7 LEU C C 7 178.529 178.529 178.736 -0.207 17604 4610 1 8 . 1 1 7 7 LEU H H 7 8.029 8.029 8.220 -0.191 17604 4611 1 8 . 1 1 8 8 ARG N N 8 120.650 120.650 120.105 0.545 17604 4612 1 8 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.852 -0.289 17604 4613 1 8 . 1 1 8 8 ARG C C 8 180.117 180.117 178.763 1.354 17604 4614 1 8 . 1 1 8 8 ARG H H 8 8.121 8.121 8.126 -0.005 17604 4615 1 8 . 1 1 9 9 ILE N N 9 120.885 120.885 118.560 2.325 17604 4616 1 8 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.779 -0.292 17604 4617 1 8 . 1 1 9 9 ILE C C 9 177.395 177.395 177.317 0.078 17604 4618 1 8 . 1 1 9 9 ILE H H 9 7.619 7.619 7.968 -0.349 17604 4619 1 8 . 1 1 10 10 ASP N N 10 117.684 117.684 117.832 -0.148 17604 4620 1 8 . 1 1 10 10 ASP C C 10 177.857 177.857 178.155 -0.298 17604 4621 1 8 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.961 1.301 17604 4622 1 8 . 1 1 10 10 ASP H H 10 8.012 8.012 7.991 0.021 17604 4623 1 8 . 1 1 11 11 GLU N N 11 115.103 115.103 115.841 -0.738 17604 4624 1 8 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.571 -0.023 17604 4625 1 8 . 1 1 11 11 GLU C C 11 178.204 178.204 177.503 0.701 17604 4626 1 8 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.945 -0.538 17604 4627 1 8 . 1 1 11 11 GLU H H 11 8.837 8.837 8.292 0.545 17604 4628 1 8 . 1 1 12 12 GLY N N 12 109.255 109.255 108.561 0.694 17604 4629 1 8 . 1 1 12 12 GLY C C 12 170.041 170.041 171.929 -1.888 17604 4630 1 8 . 1 1 13 13 LEU N N 13 117.280 117.280 121.461 -4.181 17604 4631 1 8 . 1 1 13 13 LEU C C 13 175.609 175.609 175.116 0.493 17604 4632 1 8 . 1 1 13 13 LEU H H 13 7.770 7.770 8.211 -0.441 17604 4633 1 8 . 1 1 14 14 ARG N N 14 126.444 126.444 125.082 1.362 17604 4634 1 8 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.655 0.010 17604 4635 1 8 . 1 1 14 14 ARG C C 14 175.900 175.900 175.903 -0.003 17604 4636 1 8 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.879 -0.788 17604 4637 1 8 . 1 1 14 14 ARG H H 14 8.272 8.272 8.228 0.044 17604 4638 1 8 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 4639 1 8 . 1 1 15 15 LEU C C 15 173.723 173.723 176.046 -2.323 17604 4640 1 8 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 4641 1 8 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 4642 1 8 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 4643 1 8 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 4644 1 8 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 4645 1 8 . 1 1 16 16 LYS H H 16 7.124 7.124 7.317 -0.193 17604 4646 1 8 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 4647 1 8 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.291 -0.158 17604 4648 1 8 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 4649 1 8 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 4650 1 8 . 1 1 18 18 TYR N N 18 127.713 127.713 125.979 1.734 17604 4651 1 8 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.115 -0.001 17604 4652 1 8 . 1 1 18 18 TYR C C 18 172.709 172.709 173.525 -0.816 17604 4653 1 8 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.293 -0.005 17604 4654 1 8 . 1 1 18 18 TYR H H 18 9.391 9.391 9.090 0.301 17604 4655 1 8 . 1 1 19 19 LYS N N 19 122.584 122.584 120.907 1.677 17604 4656 1 8 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.552 0.011 17604 4657 1 8 . 1 1 19 19 LYS C C 19 176.060 176.060 176.222 -0.162 17604 4658 1 8 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.005 0.020 17604 4659 1 8 . 1 1 19 19 LYS H H 19 8.342 8.342 8.412 -0.070 17604 4660 1 8 . 1 1 20 20 ASP N N 20 124.864 124.864 124.503 0.361 17604 4661 1 8 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.753 -0.182 17604 4662 1 8 . 1 1 20 20 ASP C C 20 178.088 178.088 178.269 -0.181 17604 4663 1 8 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.180 -0.460 17604 4664 1 8 . 1 1 20 20 ASP H H 20 8.509 8.509 8.816 -0.307 17604 4665 1 8 . 1 1 21 21 THR N N 21 110.253 110.253 109.381 0.872 17604 4666 1 8 . 1 1 21 21 THR HA H 21 3.978 3.978 4.045 -0.067 17604 4667 1 8 . 1 1 21 21 THR C C 21 175.847 175.847 175.728 0.119 17604 4668 1 8 . 1 1 21 21 THR CA C 21 65.115 65.115 64.857 0.258 17604 4669 1 8 . 1 1 21 21 THR H H 21 7.975 7.975 8.563 -0.588 17604 4670 1 8 . 1 1 22 22 GLU N N 22 120.058 120.058 120.090 -0.032 17604 4671 1 8 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.235 -0.075 17604 4672 1 8 . 1 1 22 22 GLU C C 22 175.511 175.511 176.352 -0.841 17604 4673 1 8 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.605 0.367 17604 4674 1 8 . 1 1 23 23 GLY N N 23 106.801 106.801 106.717 0.084 17604 4675 1 8 . 1 1 23 23 GLY C C 23 173.498 173.498 174.025 -0.527 17604 4676 1 8 . 1 1 23 23 GLY H H 23 7.831 7.831 7.832 -0.001 17604 4677 1 8 . 1 1 24 24 TYR N N 24 120.577 120.577 119.572 1.005 17604 4678 1 8 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.510 0.439 17604 4679 1 8 . 1 1 24 24 TYR C C 24 177.646 177.646 175.810 1.836 17604 4680 1 8 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.474 -1.769 17604 4681 1 8 . 1 1 24 24 TYR H H 24 8.190 8.190 8.079 0.111 17604 4682 1 8 . 1 1 25 25 TYR N N 25 122.599 122.599 123.191 -0.592 17604 4683 1 8 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.890 0.003 17604 4684 1 8 . 1 1 25 25 TYR C C 25 175.225 175.225 176.202 -0.977 17604 4685 1 8 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.013 -0.182 17604 4686 1 8 . 1 1 25 25 TYR H H 25 8.730 8.730 8.882 -0.152 17604 4687 1 8 . 1 1 26 26 THR N N 26 120.566 120.566 118.042 2.524 17604 4688 1 8 . 1 1 26 26 THR C C 26 170.704 170.704 172.607 -1.903 17604 4689 1 8 . 1 1 26 26 THR CA C 26 60.848 60.848 61.278 -0.430 17604 4690 1 8 . 1 1 26 26 THR H H 26 9.394 9.394 9.066 0.328 17604 4691 1 8 . 1 1 27 27 ILE N N 27 120.480 120.480 120.677 -0.197 17604 4692 1 8 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.516 0.119 17604 4693 1 8 . 1 1 27 27 ILE C C 27 172.588 172.588 174.635 -2.047 17604 4694 1 8 . 1 1 27 27 ILE H H 27 8.842 8.842 8.526 0.316 17604 4695 1 8 . 1 1 28 28 GLY N N 28 112.034 112.034 112.805 -0.771 17604 4696 1 8 . 1 1 28 28 GLY C C 28 174.725 174.725 174.198 0.527 17604 4697 1 8 . 1 1 28 28 GLY H H 28 8.585 8.585 8.800 -0.215 17604 4698 1 8 . 1 1 29 29 ILE N N 29 134.307 134.307 125.116 9.191 17604 4699 1 8 . 1 1 29 29 ILE C C 29 176.641 176.641 176.634 0.007 17604 4700 1 8 . 1 1 29 29 ILE H H 29 10.269 10.269 8.651 1.618 17604 4701 1 8 . 1 1 30 30 GLY N N 30 107.697 107.697 112.456 -4.759 17604 4702 1 8 . 1 1 30 30 GLY C C 30 173.103 173.103 174.213 -1.110 17604 4703 1 8 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.064 0.583 17604 4704 1 8 . 1 1 30 30 GLY H H 30 8.159 8.159 8.395 -0.236 17604 4705 1 8 . 1 1 31 31 HIS N N 31 115.580 115.580 120.085 -4.505 17604 4706 1 8 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.647 -0.303 17604 4707 1 8 . 1 1 31 31 HIS C C 31 173.242 173.242 174.500 -1.258 17604 4708 1 8 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.571 2.086 17604 4709 1 8 . 1 1 31 31 HIS H H 31 8.274 8.274 8.383 -0.109 17604 4710 1 8 . 1 1 32 32 LEU N N 32 131.965 131.965 128.621 3.344 17604 4711 1 8 . 1 1 32 32 LEU C C 32 176.441 176.441 175.658 0.783 17604 4712 1 8 . 1 1 32 32 LEU H H 32 7.916 7.916 8.762 -0.846 17604 4713 1 8 . 1 1 33 33 LEU N N 33 125.891 125.891 126.342 -0.451 17604 4714 1 8 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.362 0.135 17604 4715 1 8 . 1 1 33 33 LEU C C 33 176.188 176.188 177.129 -0.941 17604 4716 1 8 . 1 1 33 33 LEU H H 33 9.078 9.078 8.784 0.294 17604 4717 1 8 . 1 1 34 34 THR N N 34 109.694 109.694 109.025 0.669 17604 4718 1 8 . 1 1 34 34 THR HA H 34 4.465 4.465 4.392 0.073 17604 4719 1 8 . 1 1 34 34 THR C C 34 171.627 171.627 172.306 -0.679 17604 4720 1 8 . 1 1 34 34 THR CA C 34 60.050 60.050 61.360 -1.310 17604 4721 1 8 . 1 1 34 34 THR H H 34 7.266 7.266 7.382 -0.116 17604 4722 1 8 . 1 1 35 35 LYS N N 35 124.851 124.851 122.568 2.283 17604 4723 1 8 . 1 1 35 35 LYS C C 35 176.730 176.730 176.762 -0.032 17604 4724 1 8 . 1 1 35 35 LYS H H 35 8.583 8.583 8.283 0.300 17604 4725 1 8 . 1 1 36 36 SER N N 36 119.457 119.457 117.701 1.756 17604 4726 1 8 . 1 1 36 36 SER H H 36 8.748 8.748 7.816 0.932 17604 4727 1 8 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.580 0.305 17604 4728 1 8 . 1 1 37 37 PRO C C 37 177.051 177.051 176.810 0.241 17604 4729 1 8 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.436 -0.207 17604 4730 1 8 . 1 1 38 38 SER N N 38 116.302 116.302 116.109 0.193 17604 4731 1 8 . 1 1 38 38 SER HA H 38 4.730 4.730 4.572 0.158 17604 4732 1 8 . 1 1 38 38 SER C C 38 174.400 174.400 175.310 -0.910 17604 4733 1 8 . 1 1 38 38 SER CA C 38 56.315 56.315 56.687 -0.372 17604 4734 1 8 . 1 1 38 38 SER H H 38 8.230 8.230 7.755 0.475 17604 4735 1 8 . 1 1 39 39 LEU N N 39 133.066 133.066 130.485 2.581 17604 4736 1 8 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.351 0.093 17604 4737 1 8 . 1 1 39 39 LEU C C 39 178.462 178.462 177.570 0.892 17604 4738 1 8 . 1 1 39 39 LEU H H 39 8.961 8.961 8.793 0.168 17604 4739 1 8 . 1 1 40 40 ASN N N 40 116.781 116.781 117.515 -0.734 17604 4740 1 8 . 1 1 40 40 ASN C C 40 178.279 178.279 177.435 0.844 17604 4741 1 8 . 1 1 40 40 ASN H H 40 8.282 8.282 8.221 0.061 17604 4742 1 8 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 4743 1 8 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.997 0.216 17604 4744 1 8 . 1 1 41 41 ALA C C 41 179.882 179.882 178.894 0.988 17604 4745 1 8 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.929 -0.216 17604 4746 1 8 . 1 1 41 41 ALA H H 41 7.746 7.746 7.592 0.154 17604 4747 1 8 . 1 1 42 42 ALA N N 42 120.972 120.972 121.298 -0.326 17604 4748 1 8 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.876 -0.135 17604 4749 1 8 . 1 1 42 42 ALA C C 42 178.822 178.822 179.454 -0.632 17604 4750 1 8 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.105 0.328 17604 4751 1 8 . 1 1 42 42 ALA H H 42 7.593 7.593 7.858 -0.265 17604 4752 1 8 . 1 1 43 43 LYS N N 43 117.113 117.113 118.137 -1.024 17604 4753 1 8 . 1 1 43 43 LYS C C 43 177.715 177.715 178.921 -1.206 17604 4754 1 8 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 4755 1 8 . 1 1 44 44 SER N N 44 113.825 113.825 115.252 -1.427 17604 4756 1 8 . 1 1 44 44 SER C C 44 177.955 177.955 176.608 1.347 17604 4757 1 8 . 1 1 44 44 SER CA C 44 61.708 61.708 61.396 0.312 17604 4758 1 8 . 1 1 44 44 SER H H 44 7.927 7.927 8.147 -0.220 17604 4759 1 8 . 1 1 45 45 GLU N N 45 120.104 120.104 121.231 -1.127 17604 4760 1 8 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.043 0.078 17604 4761 1 8 . 1 1 45 45 GLU C C 45 179.367 179.367 179.151 0.216 17604 4762 1 8 . 1 1 45 45 GLU CA C 45 58.516 58.516 59.000 -0.484 17604 4763 1 8 . 1 1 46 46 LEU N N 46 122.714 122.714 122.367 0.347 17604 4764 1 8 . 1 1 46 46 LEU C C 46 177.304 177.304 178.309 -1.005 17604 4765 1 8 . 1 1 46 46 LEU H H 46 8.304 8.304 8.318 -0.014 17604 4766 1 8 . 1 1 47 47 ASP N N 47 120.220 120.220 119.881 0.339 17604 4767 1 8 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 4768 1 8 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.419 -0.153 17604 4769 1 8 . 1 1 47 47 ASP H H 47 8.651 8.651 8.426 0.225 17604 4770 1 8 . 1 1 48 48 LYS N N 48 120.884 120.884 120.007 0.877 17604 4771 1 8 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.064 -0.054 17604 4772 1 8 . 1 1 48 48 LYS C C 48 178.238 178.238 178.307 -0.069 17604 4773 1 8 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.871 0.239 17604 4774 1 8 . 1 1 48 48 LYS H H 48 7.794 7.794 7.932 -0.138 17604 4775 1 8 . 1 1 49 49 ALA N N 49 121.076 121.076 121.932 -0.856 17604 4776 1 8 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.222 -0.056 17604 4777 1 8 . 1 1 49 49 ALA C C 49 179.471 179.471 179.200 0.271 17604 4778 1 8 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.556 -0.189 17604 4779 1 8 . 1 1 49 49 ALA H H 49 7.926 7.926 7.968 -0.042 17604 4780 1 8 . 1 1 50 50 ILE N N 50 114.845 114.845 115.949 -1.104 17604 4781 1 8 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.050 0.027 17604 4782 1 8 . 1 1 50 50 ILE C C 50 177.256 177.256 177.209 0.047 17604 4783 1 8 . 1 1 50 50 ILE H H 50 8.379 8.379 7.713 0.666 17604 4784 1 8 . 1 1 51 51 GLY N N 51 109.206 109.206 109.791 -0.585 17604 4785 1 8 . 1 1 51 51 GLY C C 51 173.731 173.731 173.778 -0.047 17604 4786 1 8 . 1 1 51 51 GLY H H 51 8.380 8.380 8.380 -0.000 17604 4787 1 8 . 1 1 52 52 ARG N N 52 115.489 115.489 116.553 -1.064 17604 4788 1 8 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.523 0.043 17604 4789 1 8 . 1 1 52 52 ARG C C 52 172.318 172.318 173.394 -1.076 17604 4790 1 8 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 4791 1 8 . 1 1 53 53 ASN N N 53 115.422 115.422 120.470 -5.048 17604 4792 1 8 . 1 1 53 53 ASN C C 53 175.434 175.434 174.994 0.440 17604 4793 1 8 . 1 1 53 53 ASN H H 53 8.275 8.275 8.687 -0.412 17604 4794 1 8 . 1 1 54 54 THR N N 54 119.611 119.611 118.030 1.581 17604 4795 1 8 . 1 1 54 54 THR HA H 54 4.303 4.303 4.498 -0.195 17604 4796 1 8 . 1 1 54 54 THR C C 54 177.316 177.316 174.679 2.637 17604 4797 1 8 . 1 1 54 54 THR CA C 54 63.742 63.742 60.889 2.853 17604 4798 1 8 . 1 1 54 54 THR H H 54 9.079 9.079 8.769 0.310 17604 4799 1 8 . 1 1 55 55 ASN N N 55 120.102 120.102 118.444 1.658 17604 4800 1 8 . 1 1 55 55 ASN C C 55 175.771 175.771 175.670 0.101 17604 4801 1 8 . 1 1 55 55 ASN H H 55 9.477 9.477 8.342 1.135 17604 4802 1 8 . 1 1 56 56 GLY N N 56 102.932 102.932 108.253 -5.321 17604 4803 1 8 . 1 1 56 56 GLY C C 56 172.123 172.123 172.908 -0.785 17604 4804 1 8 . 1 1 56 56 GLY H H 56 8.688 8.688 7.799 0.889 17604 4805 1 8 . 1 1 57 57 VAL N N 57 120.312 120.312 118.573 1.739 17604 4806 1 8 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 4807 1 8 . 1 1 57 57 VAL C C 57 174.887 174.887 174.884 0.003 17604 4808 1 8 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.692 0.973 17604 4809 1 8 . 1 1 57 57 VAL H H 57 7.473 7.473 7.423 0.050 17604 4810 1 8 . 1 1 58 58 ILE N N 58 116.909 116.909 121.355 -4.446 17604 4811 1 8 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.093 -0.218 17604 4812 1 8 . 1 1 58 58 ILE C C 58 175.410 175.410 175.215 0.195 17604 4813 1 8 . 1 1 58 58 ILE H H 58 8.545 8.545 9.075 -0.530 17604 4814 1 8 . 1 1 59 59 THR N N 59 109.210 109.210 112.609 -3.399 17604 4815 1 8 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 4816 1 8 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 4817 1 8 . 1 1 59 59 THR CA C 59 59.842 59.842 60.185 -0.343 17604 4818 1 8 . 1 1 59 59 THR H H 59 8.694 8.694 9.056 -0.362 17604 4819 1 8 . 1 1 60 60 LYS N N 60 121.466 121.466 121.690 -0.224 17604 4820 1 8 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 4821 1 8 . 1 1 60 60 LYS C C 60 178.086 178.086 178.332 -0.246 17604 4822 1 8 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.462 0.395 17604 4823 1 8 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 4824 1 8 . 1 1 61 61 ASP N N 61 117.243 117.243 118.400 -1.157 17604 4825 1 8 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.410 -0.060 17604 4826 1 8 . 1 1 61 61 ASP C C 61 179.628 179.628 179.025 0.603 17604 4827 1 8 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.525 -0.331 17604 4828 1 8 . 1 1 61 61 ASP H H 61 8.252 8.252 8.536 -0.284 17604 4829 1 8 . 1 1 62 62 GLU N N 62 121.473 121.473 120.195 1.278 17604 4830 1 8 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.068 -0.185 17604 4831 1 8 . 1 1 62 62 GLU C C 62 178.781 178.781 178.825 -0.044 17604 4832 1 8 . 1 1 62 62 GLU H H 62 7.713 7.713 7.896 -0.183 17604 4833 1 8 . 1 1 63 63 ALA N N 63 121.213 121.213 122.795 -1.582 17604 4834 1 8 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.953 -0.059 17604 4835 1 8 . 1 1 63 63 ALA C C 63 180.801 180.801 179.765 1.036 17604 4836 1 8 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.689 -0.585 17604 4837 1 8 . 1 1 63 63 ALA H H 63 8.564 8.564 8.398 0.166 17604 4838 1 8 . 1 1 64 64 GLU N N 64 119.853 119.853 118.218 1.635 17604 4839 1 8 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 4840 1 8 . 1 1 64 64 GLU C C 64 177.889 177.889 178.925 -1.036 17604 4841 1 8 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.420 0.872 17604 4842 1 8 . 1 1 64 64 GLU H H 64 8.423 8.423 8.390 0.033 17604 4843 1 8 . 1 1 65 65 LYS N N 65 122.118 122.118 121.371 0.747 17604 4844 1 8 . 1 1 65 65 LYS C C 65 179.896 179.896 179.009 0.887 17604 4845 1 8 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.644 0.044 17604 4846 1 8 . 1 1 65 65 LYS H H 65 7.893 7.893 8.008 -0.115 17604 4847 1 8 . 1 1 66 66 LEU N N 66 118.262 118.262 119.319 -1.057 17604 4848 1 8 . 1 1 66 66 LEU C C 66 177.988 177.988 179.103 -1.115 17604 4849 1 8 . 1 1 66 66 LEU H H 66 7.705 7.705 8.101 -0.396 17604 4850 1 8 . 1 1 67 67 PHE N N 67 118.838 118.838 120.241 -1.403 17604 4851 1 8 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.286 0.982 17604 4852 1 8 . 1 1 67 67 PHE C C 67 177.256 177.256 177.546 -0.290 17604 4853 1 8 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.884 -1.195 17604 4854 1 8 . 1 1 67 67 PHE H H 67 8.060 8.060 8.464 -0.404 17604 4855 1 8 . 1 1 68 68 ASN N N 68 117.691 117.691 117.407 0.284 17604 4856 1 8 . 1 1 68 68 ASN C C 68 178.790 178.790 177.579 1.211 17604 4857 1 8 . 1 1 68 68 ASN H H 68 8.473 8.473 8.576 -0.103 17604 4858 1 8 . 1 1 69 69 GLN N N 69 118.450 118.450 119.189 -0.739 17604 4859 1 8 . 1 1 69 69 GLN C C 69 178.971 178.971 178.452 0.519 17604 4860 1 8 . 1 1 69 69 GLN H H 69 7.788 7.788 8.093 -0.305 17604 4861 1 8 . 1 1 70 70 ASP N N 70 123.108 123.108 120.947 2.161 17604 4862 1 8 . 1 1 70 70 ASP C C 70 179.925 179.925 178.984 0.941 17604 4863 1 8 . 1 1 70 70 ASP H H 70 8.857 8.857 8.467 0.390 17604 4864 1 8 . 1 1 71 71 VAL N N 71 125.622 125.622 120.715 4.907 17604 4865 1 8 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.481 0.110 17604 4866 1 8 . 1 1 71 71 VAL C C 71 177.173 177.173 177.541 -0.368 17604 4867 1 8 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.800 1.590 17604 4868 1 8 . 1 1 71 71 VAL H H 71 9.017 9.017 8.349 0.668 17604 4869 1 8 . 1 1 72 72 ASP N N 72 118.829 118.829 119.985 -1.156 17604 4870 1 8 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.248 0.105 17604 4871 1 8 . 1 1 72 72 ASP C C 72 178.629 178.629 178.189 0.440 17604 4872 1 8 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.307 0.318 17604 4873 1 8 . 1 1 72 72 ASP H H 72 7.605 7.605 8.148 -0.543 17604 4874 1 8 . 1 1 73 73 ALA N N 73 119.829 119.829 121.713 -1.884 17604 4875 1 8 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.034 -0.006 17604 4876 1 8 . 1 1 73 73 ALA C C 73 180.382 180.382 179.561 0.821 17604 4877 1 8 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.055 0.084 17604 4878 1 8 . 1 1 73 73 ALA H H 73 8.344 8.344 8.254 0.090 17604 4879 1 8 . 1 1 74 74 ALA N N 74 123.039 123.039 121.830 1.209 17604 4880 1 8 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.979 0.188 17604 4881 1 8 . 1 1 74 74 ALA C C 74 179.701 179.701 179.532 0.169 17604 4882 1 8 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.904 -0.233 17604 4883 1 8 . 1 1 74 74 ALA H H 74 7.877 7.877 7.717 0.160 17604 4884 1 8 . 1 1 75 75 VAL H H 75 8.180 8.180 7.889 0.291 17604 4885 1 8 . 1 1 76 76 ARG N N 76 117.752 117.752 119.923 -2.171 17604 4886 1 8 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.908 -0.093 17604 4887 1 8 . 1 1 76 76 ARG C C 76 178.843 178.843 178.672 0.171 17604 4888 1 8 . 1 1 76 76 ARG H H 76 8.416 8.416 8.635 -0.219 17604 4889 1 8 . 1 1 77 77 GLY N N 77 105.782 105.782 106.960 -1.178 17604 4890 1 8 . 1 1 77 77 GLY C C 77 176.137 176.137 176.053 0.084 17604 4891 1 8 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.804 -0.747 17604 4892 1 8 . 1 1 77 77 GLY H H 77 8.010 8.010 8.120 -0.110 17604 4893 1 8 . 1 1 78 78 ILE N N 78 121.765 121.765 122.057 -0.292 17604 4894 1 8 . 1 1 78 78 ILE C C 78 177.166 177.166 178.274 -1.108 17604 4895 1 8 . 1 1 78 78 ILE H H 78 7.502 7.502 7.751 -0.249 17604 4896 1 8 . 1 1 79 79 LEU N N 79 115.166 115.166 117.797 -2.631 17604 4897 1 8 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.019 -0.192 17604 4898 1 8 . 1 1 79 79 LEU C C 79 178.804 178.804 178.113 0.691 17604 4899 1 8 . 1 1 79 79 LEU H H 79 7.903 7.903 8.038 -0.135 17604 4900 1 8 . 1 1 80 80 ARG N N 80 114.734 114.734 114.609 0.125 17604 4901 1 8 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.313 0.014 17604 4902 1 8 . 1 1 80 80 ARG C C 80 175.118 175.118 175.793 -0.675 17604 4903 1 8 . 1 1 80 80 ARG H H 80 7.707 7.707 7.645 0.062 17604 4904 1 8 . 1 1 81 81 ASN N N 81 120.809 120.809 118.737 2.072 17604 4905 1 8 . 1 1 81 81 ASN C C 81 174.581 174.581 175.212 -0.631 17604 4906 1 8 . 1 1 81 81 ASN H H 81 7.498 7.498 7.507 -0.009 17604 4907 1 8 . 1 1 82 82 ALA N N 82 127.902 127.902 129.623 -1.721 17604 4908 1 8 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.165 -0.086 17604 4909 1 8 . 1 1 82 82 ALA C C 82 178.943 178.943 178.558 0.385 17604 4910 1 8 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.553 0.294 17604 4911 1 8 . 1 1 82 82 ALA H H 82 8.849 8.849 8.968 -0.119 17604 4912 1 8 . 1 1 83 83 LYS N N 83 114.166 114.166 117.349 -3.183 17604 4913 1 8 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.224 0.065 17604 4914 1 8 . 1 1 83 83 LYS C C 83 177.907 177.907 178.605 -0.698 17604 4915 1 8 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.536 -1.196 17604 4916 1 8 . 1 1 83 83 LYS H H 83 8.060 8.060 8.248 -0.188 17604 4917 1 8 . 1 1 84 84 LEU N N 84 116.412 116.412 120.298 -3.886 17604 4918 1 8 . 1 1 84 84 LEU C C 84 178.335 178.335 178.251 0.084 17604 4919 1 8 . 1 1 84 84 LEU H H 84 7.531 7.531 8.391 -0.860 17604 4920 1 8 . 1 1 85 85 LYS N N 85 121.080 121.080 120.623 0.457 17604 4921 1 8 . 1 1 85 85 LYS H H 85 8.462 8.462 8.394 0.068 17604 4922 1 8 . 1 1 86 86 PRO C C 86 179.959 179.959 179.193 0.766 17604 4923 1 8 . 1 1 87 87 VAL N N 87 115.566 115.566 118.641 -3.075 17604 4924 1 8 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.765 -0.021 17604 4925 1 8 . 1 1 87 87 VAL C C 87 178.545 178.545 178.190 0.355 17604 4926 1 8 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.142 -0.638 17604 4927 1 8 . 1 1 87 87 VAL H H 87 6.893 6.893 7.268 -0.375 17604 4928 1 8 . 1 1 88 88 TYR N N 88 122.544 122.544 120.641 1.903 17604 4929 1 8 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.148 -0.249 17604 4930 1 8 . 1 1 88 88 TYR C C 88 177.722 177.722 178.250 -0.528 17604 4931 1 8 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.764 1.097 17604 4932 1 8 . 1 1 88 88 TYR H H 88 8.457 8.457 8.553 -0.096 17604 4933 1 8 . 1 1 89 89 ASP N N 89 117.217 117.217 118.230 -1.013 17604 4934 1 8 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.356 -0.035 17604 4935 1 8 . 1 1 89 89 ASP C C 89 177.849 177.849 178.405 -0.556 17604 4936 1 8 . 1 1 89 89 ASP H H 89 9.103 9.103 8.893 0.210 17604 4937 1 8 . 1 1 90 90 SER N N 90 113.279 113.279 113.462 -0.183 17604 4938 1 8 . 1 1 90 90 SER HA H 90 4.424 4.424 4.349 0.075 17604 4939 1 8 . 1 1 90 90 SER C C 90 174.362 174.362 175.158 -0.796 17604 4940 1 8 . 1 1 90 90 SER CA C 90 59.655 59.655 59.265 0.390 17604 4941 1 8 . 1 1 90 90 SER H H 90 7.365 7.365 7.608 -0.243 17604 4942 1 8 . 1 1 91 91 LEU N N 91 123.395 123.395 123.468 -0.073 17604 4943 1 8 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.519 -0.095 17604 4944 1 8 . 1 1 91 91 LEU C C 91 176.268 176.268 176.848 -0.580 17604 4945 1 8 . 1 1 91 91 LEU H H 91 7.458 7.458 7.330 0.128 17604 4946 1 8 . 1 1 92 92 ASP N N 92 115.456 115.456 121.996 -6.540 17604 4947 1 8 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.478 0.145 17604 4948 1 8 . 1 1 92 92 ASP C C 92 175.560 175.560 176.742 -1.182 17604 4949 1 8 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.978 -1.802 17604 4950 1 8 . 1 1 92 92 ASP H H 92 7.401 7.401 8.457 -1.056 17604 4951 1 8 . 1 1 93 93 ALA N N 93 119.761 119.761 122.086 -2.325 17604 4952 1 8 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.043 -0.246 17604 4953 1 8 . 1 1 93 93 ALA C C 93 179.896 179.896 179.749 0.147 17604 4954 1 8 . 1 1 93 93 ALA H H 93 8.687 8.687 8.537 0.150 17604 4955 1 8 . 1 1 94 94 VAL N N 94 118.785 118.785 118.197 0.588 17604 4956 1 8 . 1 1 94 94 VAL C C 94 177.307 177.307 177.844 -0.537 17604 4957 1 8 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.770 0.175 17604 4958 1 8 . 1 1 94 94 VAL H H 94 7.822 7.822 7.582 0.240 17604 4959 1 8 . 1 1 95 95 ARG N N 95 119.046 119.046 118.645 0.401 17604 4960 1 8 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.612 -0.033 17604 4961 1 8 . 1 1 95 95 ARG C C 95 178.424 178.424 178.718 -0.294 17604 4962 1 8 . 1 1 95 95 ARG H H 95 7.766 7.766 8.100 -0.334 17604 4963 1 8 . 1 1 96 96 ARG N N 96 118.034 118.034 119.576 -1.542 17604 4964 1 8 . 1 1 96 96 ARG C C 96 177.930 177.930 178.399 -0.469 17604 4965 1 8 . 1 1 96 96 ARG H H 96 8.629 8.629 8.394 0.235 17604 4966 1 8 . 1 1 97 97 ALA N N 97 119.949 119.949 121.347 -1.398 17604 4967 1 8 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.001 0.067 17604 4968 1 8 . 1 1 97 97 ALA C C 97 178.702 178.702 178.914 -0.212 17604 4969 1 8 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.099 0.269 17604 4970 1 8 . 1 1 97 97 ALA H H 97 7.028 7.028 7.446 -0.418 17604 4971 1 8 . 1 1 98 98 ALA N N 98 118.852 118.852 121.098 -2.246 17604 4972 1 8 . 1 1 98 98 ALA C C 98 177.525 177.525 179.121 -1.596 17604 4973 1 8 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.471 0.851 17604 4974 1 8 . 1 1 98 98 ALA H H 98 7.200 7.200 7.223 -0.023 17604 4975 1 8 . 1 1 99 99 ALA N N 99 119.728 119.728 121.431 -1.703 17604 4976 1 8 . 1 1 99 99 ALA HA H 99 3.534 3.534 3.959 -0.425 17604 4977 1 8 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.065 0.531 17604 4978 1 8 . 1 1 99 99 ALA H H 99 7.795 7.795 7.629 0.166 17604 4979 1 8 . 1 1 100 100 ILE N N 100 116.243 116.243 118.069 -1.826 17604 4980 1 8 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.713 -0.262 17604 4981 1 8 . 1 1 100 100 ILE C C 100 176.994 176.994 178.098 -1.104 17604 4982 1 8 . 1 1 100 100 ILE H H 100 8.093 8.093 8.242 -0.149 17604 4983 1 8 . 1 1 101 101 ASN N N 101 116.433 116.433 117.584 -1.151 17604 4984 1 8 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.561 -0.303 17604 4985 1 8 . 1 1 101 101 ASN C C 101 177.449 177.449 176.692 0.757 17604 4986 1 8 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.421 1.405 17604 4987 1 8 . 1 1 101 101 ASN H H 101 8.097 8.097 8.215 -0.118 17604 4988 1 8 . 1 1 102 102 MET N N 102 113.936 113.936 118.969 -5.033 17604 4989 1 8 . 1 1 102 102 MET HA H 102 3.657 3.657 4.408 -0.751 17604 4990 1 8 . 1 1 102 102 MET CA C 102 61.050 61.050 56.639 4.411 17604 4991 1 8 . 1 1 102 102 MET H H 102 7.719 7.719 7.673 0.046 17604 4992 1 8 . 1 1 103 103 VAL N N 103 105.507 105.507 112.056 -6.549 17604 4993 1 8 . 1 1 103 103 VAL C C 103 175.510 175.510 175.932 -0.422 17604 4994 1 8 . 1 1 103 103 VAL CA C 103 61.665 61.665 61.186 0.479 17604 4995 1 8 . 1 1 103 103 VAL H H 103 7.320 7.320 7.242 0.078 17604 4996 1 8 . 1 1 104 104 PHE N N 104 126.466 126.466 124.123 2.343 17604 4997 1 8 . 1 1 104 104 PHE C C 104 176.939 176.939 174.551 2.388 17604 4998 1 8 . 1 1 104 104 PHE H H 104 7.877 7.877 7.556 0.321 17604 4999 1 8 . 1 1 105 105 GLN N N 105 119.920 119.920 119.312 0.608 17604 5000 1 8 . 1 1 105 105 GLN C C 105 174.943 174.943 174.351 0.592 17604 5001 1 8 . 1 1 105 105 GLN H H 105 8.540 8.540 8.239 0.301 17604 5002 1 8 . 1 1 106 106 MET N N 106 117.242 117.242 117.918 -0.676 17604 5003 1 8 . 1 1 106 106 MET HA H 106 4.146 4.146 4.650 -0.504 17604 5004 1 8 . 1 1 106 106 MET C C 106 177.126 177.126 177.001 0.125 17604 5005 1 8 . 1 1 106 106 MET CA C 106 54.786 54.786 54.320 0.466 17604 5006 1 8 . 1 1 106 106 MET H H 106 8.869 8.869 7.578 1.291 17604 5007 1 8 . 1 1 107 107 GLY N N 107 107.963 107.963 107.614 0.349 17604 5008 1 8 . 1 1 107 107 GLY C C 107 174.858 174.858 175.037 -0.179 17604 5009 1 8 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.308 1.790 17604 5010 1 8 . 1 1 107 107 GLY H H 107 7.819 7.819 8.083 -0.264 17604 5011 1 8 . 1 1 108 108 GLU N N 108 122.988 122.988 121.838 1.150 17604 5012 1 8 . 1 1 108 108 GLU C C 108 179.500 179.500 178.536 0.964 17604 5013 1 8 . 1 1 108 108 GLU H H 108 8.778 8.778 9.024 -0.246 17604 5014 1 8 . 1 1 109 109 THR N N 109 112.024 112.024 114.838 -2.814 17604 5015 1 8 . 1 1 109 109 THR HA H 109 4.193 4.193 4.123 0.070 17604 5016 1 8 . 1 1 109 109 THR C C 109 178.149 178.149 176.734 1.415 17604 5017 1 8 . 1 1 109 109 THR CA C 109 65.018 65.018 67.728 -2.710 17604 5018 1 8 . 1 1 109 109 THR H H 109 8.617 8.617 8.430 0.187 17604 5019 1 8 . 1 1 110 110 GLY N N 110 116.155 116.155 109.828 6.327 17604 5020 1 8 . 1 1 110 110 GLY C C 110 175.727 175.727 175.622 0.105 17604 5021 1 8 . 1 1 110 110 GLY H H 110 8.631 8.631 7.910 0.721 17604 5022 1 8 . 1 1 111 111 VAL N N 111 120.428 120.428 122.770 -2.342 17604 5023 1 8 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.603 0.033 17604 5024 1 8 . 1 1 111 111 VAL C C 111 179.055 179.055 177.968 1.087 17604 5025 1 8 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.201 0.927 17604 5026 1 8 . 1 1 111 111 VAL H H 111 8.073 8.073 7.605 0.468 17604 5027 1 8 . 1 1 112 112 ALA N N 112 124.050 124.050 122.692 1.358 17604 5028 1 8 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.236 -0.021 17604 5029 1 8 . 1 1 112 112 ALA C C 112 180.059 180.059 179.963 0.096 17604 5030 1 8 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.106 0.314 17604 5031 1 8 . 1 1 112 112 ALA H H 112 8.297 8.297 8.488 -0.191 17604 5032 1 8 . 1 1 113 113 GLY N N 113 105.820 105.820 106.629 -0.809 17604 5033 1 8 . 1 1 113 113 GLY C C 113 175.656 175.656 175.655 0.001 17604 5034 1 8 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.870 0.148 17604 5035 1 8 . 1 1 113 113 GLY H H 113 8.218 8.218 8.142 0.076 17604 5036 1 8 . 1 1 114 114 PHE N N 114 122.441 122.441 122.243 0.198 17604 5037 1 8 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.272 -0.064 17604 5038 1 8 . 1 1 114 114 PHE C C 114 177.316 177.316 177.849 -0.533 17604 5039 1 8 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.287 -0.413 17604 5040 1 8 . 1 1 114 114 PHE H H 114 8.111 8.111 8.203 -0.092 17604 5041 1 8 . 1 1 115 115 THR N N 115 114.602 114.602 113.566 1.036 17604 5042 1 8 . 1 1 115 115 THR C C 115 176.611 176.611 176.813 -0.202 17604 5043 1 8 . 1 1 115 115 THR CA C 115 66.636 66.636 65.502 1.134 17604 5044 1 8 . 1 1 115 115 THR H H 115 8.378 8.378 8.513 -0.135 17604 5045 1 8 . 1 1 116 116 ASN N N 116 119.071 119.071 119.207 -0.136 17604 5046 1 8 . 1 1 116 116 ASN H H 116 8.276 8.276 7.950 0.326 17604 5047 1 8 . 1 1 117 117 SER C C 117 174.833 174.833 174.168 0.665 17604 5048 1 8 . 1 1 118 118 LEU N N 118 121.114 121.114 122.512 -1.398 17604 5049 1 8 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.731 0.441 17604 5050 1 8 . 1 1 118 118 LEU C C 118 177.954 177.954 177.999 -0.045 17604 5051 1 8 . 1 1 118 118 LEU H H 118 7.336 7.336 7.065 0.271 17604 5052 1 8 . 1 1 119 119 ARG N N 119 117.315 117.315 118.506 -1.191 17604 5053 1 8 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.910 0.141 17604 5054 1 8 . 1 1 119 119 ARG C C 119 178.720 178.720 177.940 0.780 17604 5055 1 8 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.507 -0.886 17604 5056 1 8 . 1 1 119 119 ARG H H 119 8.329 8.329 8.356 -0.027 17604 5057 1 8 . 1 1 120 120 MET N N 120 115.507 115.507 117.372 -1.865 17604 5058 1 8 . 1 1 120 120 MET HA H 120 3.969 3.969 4.161 -0.192 17604 5059 1 8 . 1 1 120 120 MET C C 120 178.161 178.161 178.648 -0.487 17604 5060 1 8 . 1 1 120 120 MET CA C 120 59.029 59.029 57.708 1.321 17604 5061 1 8 . 1 1 120 120 MET H H 120 7.408 7.408 7.864 -0.456 17604 5062 1 8 . 1 1 121 121 LEU N N 121 117.639 117.639 119.319 -1.680 17604 5063 1 8 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.951 -0.098 17604 5064 1 8 . 1 1 121 121 LEU C C 121 179.852 179.852 179.757 0.095 17604 5065 1 8 . 1 1 121 121 LEU H H 121 7.681 7.681 7.716 -0.035 17604 5066 1 8 . 1 1 122 122 GLN N N 122 120.423 120.423 119.591 0.832 17604 5067 1 8 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.028 -0.083 17604 5068 1 8 . 1 1 122 122 GLN C C 122 176.976 176.976 177.795 -0.819 17604 5069 1 8 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.230 1.160 17604 5070 1 8 . 1 1 122 122 GLN H H 122 8.689 8.689 8.155 0.534 17604 5071 1 8 . 1 1 123 123 GLN N N 123 113.631 113.631 115.619 -1.988 17604 5072 1 8 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.210 -0.138 17604 5073 1 8 . 1 1 123 123 GLN C C 123 174.455 174.455 175.081 -0.626 17604 5074 1 8 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.571 -0.391 17604 5075 1 8 . 1 1 123 123 GLN H H 123 7.251 7.251 7.466 -0.215 17604 5076 1 8 . 1 1 124 124 LYS N N 124 114.745 114.745 114.491 0.254 17604 5077 1 8 . 1 1 124 124 LYS C C 124 174.910 174.910 175.151 -0.241 17604 5078 1 8 . 1 1 124 124 LYS H H 124 7.291 7.291 7.381 -0.090 17604 5079 1 8 . 1 1 125 125 ARG N N 125 119.533 119.533 118.665 0.868 17604 5080 1 8 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.182 0.055 17604 5081 1 8 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 5082 1 8 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.540 -0.354 17604 5083 1 8 . 1 1 125 125 ARG H H 125 7.715 7.715 7.858 -0.143 17604 5084 1 8 . 1 1 126 126 TRP N N 126 119.232 119.232 123.539 -4.307 17604 5085 1 8 . 1 1 126 126 TRP C C 126 178.891 178.891 177.707 1.184 17604 5086 1 8 . 1 1 126 126 TRP H H 126 6.888 6.888 7.443 -0.555 17604 5087 1 8 . 1 1 127 127 ASP N N 127 116.481 116.481 117.731 -1.250 17604 5088 1 8 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.408 0.008 17604 5089 1 8 . 1 1 127 127 ASP C C 127 178.854 178.854 178.537 0.317 17604 5090 1 8 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.987 -0.297 17604 5091 1 8 . 1 1 127 127 ASP H H 127 8.548 8.548 8.864 -0.316 17604 5092 1 8 . 1 1 128 128 GLU N N 128 120.565 120.565 120.338 0.227 17604 5093 1 8 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.026 -0.073 17604 5094 1 8 . 1 1 128 128 GLU C C 128 179.945 179.945 178.241 1.704 17604 5095 1 8 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.093 0.464 17604 5096 1 8 . 1 1 128 128 GLU H H 128 8.311 8.311 8.373 -0.062 17604 5097 1 8 . 1 1 129 129 ALA N N 129 122.262 122.262 121.997 0.265 17604 5098 1 8 . 1 1 129 129 ALA HA H 129 4.008 4.008 4.011 -0.003 17604 5099 1 8 . 1 1 129 129 ALA C C 129 178.673 178.673 179.702 -1.029 17604 5100 1 8 . 1 1 129 129 ALA H H 129 8.630 8.630 8.543 0.087 17604 5101 1 8 . 1 1 130 130 ALA N N 130 119.515 119.515 121.248 -1.733 17604 5102 1 8 . 1 1 130 130 ALA C C 130 179.789 179.789 179.600 0.189 17604 5103 1 8 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.190 0.501 17604 5104 1 8 . 1 1 130 130 ALA H H 130 8.263 8.263 8.073 0.190 17604 5105 1 8 . 1 1 131 131 VAL N N 131 117.584 117.584 118.752 -1.168 17604 5106 1 8 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.416 0.163 17604 5107 1 8 . 1 1 131 131 VAL C C 131 178.341 178.341 178.305 0.036 17604 5108 1 8 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.739 -0.617 17604 5109 1 8 . 1 1 131 131 VAL H H 131 7.883 7.883 8.231 -0.348 17604 5110 1 8 . 1 1 132 132 ASN N N 132 118.267 118.267 118.222 0.045 17604 5111 1 8 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.457 -0.129 17604 5112 1 8 . 1 1 132 132 ASN C C 132 178.969 178.969 178.192 0.777 17604 5113 1 8 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.968 0.857 17604 5114 1 8 . 1 1 133 133 LEU N N 133 121.157 121.157 119.933 1.224 17604 5115 1 8 . 1 1 133 133 LEU C C 133 179.658 179.658 179.359 0.299 17604 5116 1 8 . 1 1 133 133 LEU H H 133 8.868 8.868 8.164 0.704 17604 5117 1 8 . 1 1 134 134 ALA N N 134 121.551 121.551 119.905 1.646 17604 5118 1 8 . 1 1 134 134 ALA C C 134 177.027 177.027 177.705 -0.678 17604 5119 1 8 . 1 1 134 134 ALA H H 134 7.720 7.720 7.754 -0.034 17604 5120 1 8 . 1 1 135 135 LYS N N 135 115.144 115.144 117.384 -2.240 17604 5121 1 8 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.138 0.269 17604 5122 1 8 . 1 1 135 135 LYS C C 135 176.809 176.809 176.886 -0.077 17604 5123 1 8 . 1 1 135 135 LYS CA C 135 55.912 55.912 57.272 -1.360 17604 5124 1 8 . 1 1 135 135 LYS H H 135 7.276 7.276 7.700 -0.424 17604 5125 1 8 . 1 1 136 136 SER N N 136 115.694 115.694 114.310 1.384 17604 5126 1 8 . 1 1 136 136 SER HA H 136 4.427 4.427 4.537 -0.110 17604 5127 1 8 . 1 1 136 136 SER C C 136 174.351 174.351 176.255 -1.904 17604 5128 1 8 . 1 1 136 136 SER CA C 136 58.922 58.922 57.545 1.377 17604 5129 1 8 . 1 1 136 136 SER H H 136 7.550 7.550 7.570 -0.020 17604 5130 1 8 . 1 1 137 137 ARG N N 137 122.410 122.410 122.045 0.365 17604 5131 1 8 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.249 -0.001 17604 5132 1 8 . 1 1 137 137 ARG C C 137 178.462 178.462 177.920 0.542 17604 5133 1 8 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.108 -0.541 17604 5134 1 8 . 1 1 137 137 ARG H H 137 8.694 8.694 8.982 -0.288 17604 5135 1 8 . 1 1 138 138 TRP N N 138 119.884 119.884 121.496 -1.612 17604 5136 1 8 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.411 -0.229 17604 5137 1 8 . 1 1 138 138 TRP C C 138 175.710 175.710 177.180 -1.470 17604 5138 1 8 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.836 2.264 17604 5139 1 8 . 1 1 138 138 TRP H H 138 8.476 8.476 8.397 0.079 17604 5140 1 8 . 1 1 139 139 TYR N N 139 118.715 118.715 119.626 -0.911 17604 5141 1 8 . 1 1 139 139 TYR HA H 139 3.000 3.000 4.094 -1.094 17604 5142 1 8 . 1 1 139 139 TYR C C 139 175.701 175.701 177.265 -1.564 17604 5143 1 8 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.691 -1.494 17604 5144 1 8 . 1 1 139 139 TYR H H 139 7.851 7.851 7.896 -0.045 17604 5145 1 8 . 1 1 140 140 ASN N N 140 111.811 111.811 116.685 -4.874 17604 5146 1 8 . 1 1 140 140 ASN C C 140 176.521 176.521 177.064 -0.543 17604 5147 1 8 . 1 1 141 141 GLN N N 141 117.421 117.421 117.088 0.333 17604 5148 1 8 . 1 1 141 141 GLN C C 141 176.598 176.598 176.158 0.440 17604 5149 1 8 . 1 1 141 141 GLN H H 141 7.779 7.779 7.503 0.277 17604 5150 1 8 . 1 1 142 142 THR N N 142 111.422 111.422 109.069 2.353 17604 5151 1 8 . 1 1 142 142 THR H H 142 7.046 7.046 7.704 -0.658 17604 5152 1 8 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.688 0.256 17604 5153 1 8 . 1 1 143 143 PRO C C 143 178.463 178.463 177.606 0.857 17604 5154 1 8 . 1 1 144 144 ASN N N 144 116.489 116.489 117.177 -0.688 17604 5155 1 8 . 1 1 144 144 ASN C C 144 177.480 177.480 177.307 0.173 17604 5156 1 8 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.255 -0.151 17604 5157 1 8 . 1 1 144 144 ASN H H 144 8.194 8.194 8.493 -0.299 17604 5158 1 8 . 1 1 145 145 ARG N N 145 121.900 121.900 120.863 1.037 17604 5159 1 8 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.045 -0.143 17604 5160 1 8 . 1 1 145 145 ARG C C 145 176.937 176.937 178.182 -1.245 17604 5161 1 8 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.276 -1.715 17604 5162 1 8 . 1 1 145 145 ARG H H 145 7.854 7.854 8.272 -0.418 17604 5163 1 8 . 1 1 146 146 ALA N N 146 119.119 119.119 121.562 -2.443 17604 5164 1 8 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.262 -0.277 17604 5165 1 8 . 1 1 146 146 ALA C C 146 179.367 179.367 178.932 0.435 17604 5166 1 8 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.313 -0.027 17604 5167 1 8 . 1 1 146 146 ALA H H 146 8.439 8.439 8.479 -0.040 17604 5168 1 8 . 1 1 147 147 LYS N N 147 116.600 116.600 119.335 -2.735 17604 5169 1 8 . 1 1 147 147 LYS C C 147 180.052 180.052 178.952 1.100 17604 5170 1 8 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.919 0.725 17604 5171 1 8 . 1 1 147 147 LYS H H 147 8.066 8.066 8.108 -0.042 17604 5172 1 8 . 1 1 148 148 ARG N N 148 119.327 119.327 118.856 0.471 17604 5173 1 8 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.941 -0.167 17604 5174 1 8 . 1 1 148 148 ARG C C 148 180.211 180.211 178.896 1.315 17604 5175 1 8 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.401 1.016 17604 5176 1 8 . 1 1 148 148 ARG H H 148 7.489 7.489 7.814 -0.325 17604 5177 1 8 . 1 1 149 149 VAL N N 149 125.204 125.204 120.395 4.809 17604 5178 1 8 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.786 -0.397 17604 5179 1 8 . 1 1 149 149 VAL C C 149 178.523 178.523 178.229 0.294 17604 5180 1 8 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.460 1.835 17604 5181 1 8 . 1 1 149 149 VAL H H 149 8.876 8.876 7.791 1.085 17604 5182 1 8 . 1 1 150 150 ILE N N 150 121.036 121.036 120.905 0.131 17604 5183 1 8 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.867 0.026 17604 5184 1 8 . 1 1 150 150 ILE C C 150 178.541 178.541 178.135 0.406 17604 5185 1 8 . 1 1 150 150 ILE H H 150 9.322 9.322 8.849 0.473 17604 5186 1 8 . 1 1 151 151 THR N N 151 117.932 117.932 116.789 1.143 17604 5187 1 8 . 1 1 151 151 THR C C 151 176.418 176.418 176.555 -0.137 17604 5188 1 8 . 1 1 151 151 THR CA C 151 67.495 67.495 67.642 -0.147 17604 5189 1 8 . 1 1 151 151 THR H H 151 8.382 8.382 8.522 -0.140 17604 5190 1 8 . 1 1 152 152 THR N N 152 121.769 121.769 119.767 2.002 17604 5191 1 8 . 1 1 152 152 THR HA H 152 4.117 4.117 4.186 -0.069 17604 5192 1 8 . 1 1 152 152 THR C C 152 176.328 176.328 176.284 0.044 17604 5193 1 8 . 1 1 152 152 THR CA C 152 67.646 67.646 66.861 0.785 17604 5194 1 8 . 1 1 152 152 THR H H 152 7.982 7.982 7.767 0.215 17604 5195 1 8 . 1 1 153 153 PHE N N 153 120.509 120.509 121.363 -0.854 17604 5196 1 8 . 1 1 153 153 PHE C C 153 177.848 177.848 177.357 0.491 17604 5197 1 8 . 1 1 153 153 PHE H H 153 8.410 8.410 8.241 0.169 17604 5198 1 8 . 1 1 154 154 ARG N N 154 117.947 117.947 119.583 -1.636 17604 5199 1 8 . 1 1 154 154 ARG C C 154 178.389 178.389 178.470 -0.081 17604 5200 1 8 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.911 -0.140 17604 5201 1 8 . 1 1 154 154 ARG H H 154 8.733 8.733 8.422 0.311 17604 5202 1 8 . 1 1 155 155 THR N N 155 105.055 105.055 108.859 -3.804 17604 5203 1 8 . 1 1 155 155 THR HA H 155 4.235 4.235 4.301 -0.066 17604 5204 1 8 . 1 1 155 155 THR C C 155 176.705 176.705 175.766 0.939 17604 5205 1 8 . 1 1 155 155 THR CA C 155 62.225 62.225 62.120 0.105 17604 5206 1 8 . 1 1 155 155 THR H H 155 8.219 8.219 7.906 0.313 17604 5207 1 8 . 1 1 156 156 GLY N N 156 111.712 111.712 112.331 -0.619 17604 5208 1 8 . 1 1 156 156 GLY C C 156 172.901 172.901 174.172 -1.271 17604 5209 1 8 . 1 1 156 156 GLY H H 156 8.500 8.500 8.018 0.482 17604 5210 1 8 . 1 1 157 157 THR N N 157 108.367 108.367 110.537 -2.170 17604 5211 1 8 . 1 1 157 157 THR HA H 157 4.646 4.646 4.372 0.274 17604 5212 1 8 . 1 1 157 157 THR C C 157 174.042 174.042 173.029 1.013 17604 5213 1 8 . 1 1 157 157 THR CA C 157 58.745 58.745 59.391 -0.646 17604 5214 1 8 . 1 1 157 157 THR H H 157 7.568 7.568 7.253 0.315 17604 5215 1 8 . 1 1 158 158 TRP N N 158 117.864 117.864 119.627 -1.763 17604 5216 1 8 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.915 0.109 17604 5217 1 8 . 1 1 158 158 TRP C C 158 178.088 178.088 176.844 1.244 17604 5218 1 8 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.486 -0.348 17604 5219 1 8 . 1 1 158 158 TRP H H 158 8.512 8.512 8.603 -0.091 17604 5220 1 8 . 1 1 159 159 ASP N N 159 119.522 119.522 122.133 -2.611 17604 5221 1 8 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.457 -0.261 17604 5222 1 8 . 1 1 159 159 ASP C C 159 177.430 177.430 178.088 -0.658 17604 5223 1 8 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.608 1.050 17604 5224 1 8 . 1 1 159 159 ASP H H 159 7.972 7.972 7.825 0.147 17604 5225 1 8 . 1 1 160 160 ALA N N 160 119.939 119.939 121.161 -1.222 17604 5226 1 8 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.179 -0.006 17604 5227 1 8 . 1 1 160 160 ALA C C 160 177.293 177.293 177.928 -0.635 17604 5228 1 8 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.656 -0.076 17604 5229 1 8 . 1 1 160 160 ALA H H 160 9.143 9.143 8.341 0.802 17604 5230 1 8 . 1 1 161 161 TYR N N 161 113.613 113.613 113.376 0.237 17604 5231 1 8 . 1 1 161 161 TYR C C 161 175.078 175.078 177.435 -2.357 17604 5232 1 8 . 1 1 161 161 TYR H H 161 8.071 8.071 8.015 0.056 17604 5233 1 8 . 1 1 162 162 LYS N N 162 119.559 119.559 120.345 -0.786 17604 5234 1 8 . 1 1 162 162 LYS C C 162 176.124 176.124 177.873 -1.749 17604 5235 1 8 . 1 1 162 162 LYS H H 162 7.266 7.266 7.667 -0.401 17604 5236 1 8 . 1 1 163 163 ASN N N 163 116.663 116.663 115.961 0.702 17604 5237 1 8 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.680 -0.153 17604 5238 1 8 . 1 1 163 163 ASN C C 163 173.671 173.671 175.321 -1.650 17604 5239 1 8 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.503 0.538 17604 5240 1 8 . 1 1 163 163 ASN H H 163 8.629 8.629 8.404 0.225 17604 5241 1 9 . 1 1 2 2 ASN N N 2 115.717 115.717 119.211 -3.494 17604 5242 1 9 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.607 -0.096 17604 5243 1 9 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.157 0.268 17604 5244 1 9 . 1 1 2 2 ASN H H 2 6.884 6.884 7.720 -0.836 17604 5245 1 9 . 1 1 3 3 ILE N N 3 116.556 116.556 119.976 -3.420 17604 5246 1 9 . 1 1 3 3 ILE C C 3 174.025 174.025 176.423 -2.398 17604 5247 1 9 . 1 1 3 3 ILE H H 3 8.891 8.891 8.490 0.401 17604 5248 1 9 . 1 1 4 4 PHE N N 4 121.687 121.687 119.049 2.638 17604 5249 1 9 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.209 -0.131 17604 5250 1 9 . 1 1 4 4 PHE C C 4 177.177 177.177 178.113 -0.936 17604 5251 1 9 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.197 -1.598 17604 5252 1 9 . 1 1 4 4 PHE H H 4 7.295 7.295 8.023 -0.728 17604 5253 1 9 . 1 1 5 5 GLU N N 5 118.203 118.203 119.150 -0.947 17604 5254 1 9 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.966 -0.125 17604 5255 1 9 . 1 1 5 5 GLU C C 5 178.279 178.279 179.133 -0.854 17604 5256 1 9 . 1 1 5 5 GLU CA C 5 58.776 58.776 58.979 -0.203 17604 5257 1 9 . 1 1 5 5 GLU H H 5 7.886 7.886 8.623 -0.737 17604 5258 1 9 . 1 1 6 6 MET N N 6 118.175 118.175 120.952 -2.777 17604 5259 1 9 . 1 1 6 6 MET HA H 6 3.243 3.243 3.809 -0.566 17604 5260 1 9 . 1 1 6 6 MET C C 6 177.116 177.116 178.253 -1.137 17604 5261 1 9 . 1 1 6 6 MET CA C 6 58.652 58.652 59.310 -0.658 17604 5262 1 9 . 1 1 7 7 LEU N N 7 116.108 116.108 118.397 -2.289 17604 5263 1 9 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.918 0.036 17604 5264 1 9 . 1 1 7 7 LEU C C 7 178.529 178.529 178.905 -0.376 17604 5265 1 9 . 1 1 7 7 LEU H H 7 8.029 8.029 8.195 -0.166 17604 5266 1 9 . 1 1 8 8 ARG N N 8 120.650 120.650 119.330 1.320 17604 5267 1 9 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.797 -0.234 17604 5268 1 9 . 1 1 8 8 ARG C C 8 180.117 180.117 179.220 0.897 17604 5269 1 9 . 1 1 8 8 ARG H H 8 8.121 8.121 8.116 0.005 17604 5270 1 9 . 1 1 9 9 ILE N N 9 120.885 120.885 119.281 1.604 17604 5271 1 9 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.771 -0.284 17604 5272 1 9 . 1 1 9 9 ILE C C 9 177.395 177.395 177.249 0.146 17604 5273 1 9 . 1 1 9 9 ILE H H 9 7.619 7.619 7.928 -0.309 17604 5274 1 9 . 1 1 10 10 ASP N N 10 117.684 117.684 117.816 -0.132 17604 5275 1 9 . 1 1 10 10 ASP C C 10 177.857 177.857 178.164 -0.307 17604 5276 1 9 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.959 1.302 17604 5277 1 9 . 1 1 10 10 ASP H H 10 8.012 8.012 7.994 0.018 17604 5278 1 9 . 1 1 11 11 GLU N N 11 115.103 115.103 115.823 -0.720 17604 5279 1 9 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.577 -0.029 17604 5280 1 9 . 1 1 11 11 GLU C C 11 178.204 178.204 177.512 0.692 17604 5281 1 9 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.947 -0.540 17604 5282 1 9 . 1 1 11 11 GLU H H 11 8.837 8.837 8.289 0.548 17604 5283 1 9 . 1 1 12 12 GLY N N 12 109.255 109.255 108.599 0.656 17604 5284 1 9 . 1 1 12 12 GLY C C 12 170.041 170.041 171.966 -1.925 17604 5285 1 9 . 1 1 13 13 LEU N N 13 117.280 117.280 120.696 -3.416 17604 5286 1 9 . 1 1 13 13 LEU C C 13 175.609 175.609 175.465 0.144 17604 5287 1 9 . 1 1 13 13 LEU H H 13 7.770 7.770 8.177 -0.407 17604 5288 1 9 . 1 1 14 14 ARG N N 14 126.444 126.444 126.171 0.273 17604 5289 1 9 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.671 -0.006 17604 5290 1 9 . 1 1 14 14 ARG C C 14 175.900 175.900 175.438 0.462 17604 5291 1 9 . 1 1 14 14 ARG CA C 14 54.091 54.091 55.013 -0.922 17604 5292 1 9 . 1 1 14 14 ARG H H 14 8.272 8.272 8.359 -0.087 17604 5293 1 9 . 1 1 15 15 LEU N N 15 122.951 122.951 121.329 1.622 17604 5294 1 9 . 1 1 15 15 LEU C C 15 173.723 173.723 176.047 -2.324 17604 5295 1 9 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 5296 1 9 . 1 1 16 16 LYS N N 16 114.983 114.983 119.354 -4.371 17604 5297 1 9 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.260 0.161 17604 5298 1 9 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 5299 1 9 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.202 -0.614 17604 5300 1 9 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 5301 1 9 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 5302 1 9 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.288 -0.155 17604 5303 1 9 . 1 1 17 17 ILE C C 17 174.773 174.773 176.488 -1.715 17604 5304 1 9 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 5305 1 9 . 1 1 18 18 TYR N N 18 127.713 127.713 125.978 1.735 17604 5306 1 9 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.115 -0.001 17604 5307 1 9 . 1 1 18 18 TYR C C 18 172.709 172.709 173.523 -0.814 17604 5308 1 9 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.292 -0.004 17604 5309 1 9 . 1 1 18 18 TYR H H 18 9.391 9.391 9.087 0.304 17604 5310 1 9 . 1 1 19 19 LYS N N 19 122.584 122.584 120.913 1.671 17604 5311 1 9 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.550 0.013 17604 5312 1 9 . 1 1 19 19 LYS C C 19 176.060 176.060 176.222 -0.162 17604 5313 1 9 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.004 0.021 17604 5314 1 9 . 1 1 19 19 LYS H H 19 8.342 8.342 8.414 -0.072 17604 5315 1 9 . 1 1 20 20 ASP N N 20 124.864 124.864 124.507 0.357 17604 5316 1 9 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.758 -0.187 17604 5317 1 9 . 1 1 20 20 ASP C C 20 178.088 178.088 178.275 -0.187 17604 5318 1 9 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.180 -0.460 17604 5319 1 9 . 1 1 20 20 ASP H H 20 8.509 8.509 8.813 -0.304 17604 5320 1 9 . 1 1 21 21 THR N N 21 110.253 110.253 109.423 0.830 17604 5321 1 9 . 1 1 21 21 THR HA H 21 3.978 3.978 4.075 -0.097 17604 5322 1 9 . 1 1 21 21 THR C C 21 175.847 175.847 175.752 0.095 17604 5323 1 9 . 1 1 21 21 THR CA C 21 65.115 65.115 64.886 0.229 17604 5324 1 9 . 1 1 21 21 THR H H 21 7.975 7.975 8.580 -0.605 17604 5325 1 9 . 1 1 22 22 GLU N N 22 120.058 120.058 120.101 -0.043 17604 5326 1 9 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.240 -0.081 17604 5327 1 9 . 1 1 22 22 GLU C C 22 175.511 175.511 176.363 -0.852 17604 5328 1 9 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.602 0.370 17604 5329 1 9 . 1 1 23 23 GLY N N 23 106.801 106.801 106.726 0.075 17604 5330 1 9 . 1 1 23 23 GLY C C 23 173.498 173.498 174.054 -0.556 17604 5331 1 9 . 1 1 23 23 GLY H H 23 7.831 7.831 7.813 0.018 17604 5332 1 9 . 1 1 24 24 TYR N N 24 120.577 120.577 119.505 1.072 17604 5333 1 9 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.509 0.440 17604 5334 1 9 . 1 1 24 24 TYR C C 24 177.646 177.646 175.781 1.865 17604 5335 1 9 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.458 -1.753 17604 5336 1 9 . 1 1 24 24 TYR H H 24 8.190 8.190 8.071 0.119 17604 5337 1 9 . 1 1 25 25 TYR N N 25 122.599 122.599 123.184 -0.585 17604 5338 1 9 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.884 0.009 17604 5339 1 9 . 1 1 25 25 TYR C C 25 175.225 175.225 176.191 -0.966 17604 5340 1 9 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.003 -0.172 17604 5341 1 9 . 1 1 25 25 TYR H H 25 8.730 8.730 8.876 -0.146 17604 5342 1 9 . 1 1 26 26 THR N N 26 120.566 120.566 118.025 2.541 17604 5343 1 9 . 1 1 26 26 THR C C 26 170.704 170.704 172.597 -1.893 17604 5344 1 9 . 1 1 26 26 THR CA C 26 60.848 60.848 61.260 -0.412 17604 5345 1 9 . 1 1 26 26 THR H H 26 9.394 9.394 9.059 0.335 17604 5346 1 9 . 1 1 27 27 ILE N N 27 120.480 120.480 120.658 -0.178 17604 5347 1 9 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.512 0.123 17604 5348 1 9 . 1 1 27 27 ILE C C 27 172.588 172.588 174.636 -2.048 17604 5349 1 9 . 1 1 27 27 ILE H H 27 8.842 8.842 8.503 0.339 17604 5350 1 9 . 1 1 28 28 GLY N N 28 112.034 112.034 112.810 -0.776 17604 5351 1 9 . 1 1 28 28 GLY C C 28 174.725 174.725 174.193 0.532 17604 5352 1 9 . 1 1 28 28 GLY H H 28 8.585 8.585 8.800 -0.215 17604 5353 1 9 . 1 1 29 29 ILE N N 29 134.307 134.307 125.108 9.199 17604 5354 1 9 . 1 1 29 29 ILE C C 29 176.641 176.641 176.621 0.020 17604 5355 1 9 . 1 1 29 29 ILE H H 29 10.269 10.269 8.646 1.623 17604 5356 1 9 . 1 1 30 30 GLY N N 30 107.697 107.697 112.507 -4.810 17604 5357 1 9 . 1 1 30 30 GLY C C 30 173.103 173.103 174.269 -1.166 17604 5358 1 9 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.059 0.588 17604 5359 1 9 . 1 1 30 30 GLY H H 30 8.159 8.159 8.388 -0.229 17604 5360 1 9 . 1 1 31 31 HIS N N 31 115.580 115.580 119.882 -4.302 17604 5361 1 9 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.618 -0.274 17604 5362 1 9 . 1 1 31 31 HIS C C 31 173.242 173.242 174.510 -1.268 17604 5363 1 9 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.587 2.071 17604 5364 1 9 . 1 1 31 31 HIS H H 31 8.274 8.274 8.373 -0.099 17604 5365 1 9 . 1 1 32 32 LEU N N 32 131.965 131.965 128.562 3.403 17604 5366 1 9 . 1 1 32 32 LEU C C 32 176.441 176.441 175.737 0.704 17604 5367 1 9 . 1 1 32 32 LEU H H 32 7.916 7.916 8.151 -0.235 17604 5368 1 9 . 1 1 33 33 LEU N N 33 125.891 125.891 126.224 -0.333 17604 5369 1 9 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.337 0.160 17604 5370 1 9 . 1 1 33 33 LEU C C 33 176.188 176.188 177.118 -0.930 17604 5371 1 9 . 1 1 33 33 LEU H H 33 9.078 9.078 8.760 0.318 17604 5372 1 9 . 1 1 34 34 THR N N 34 109.694 109.694 109.021 0.673 17604 5373 1 9 . 1 1 34 34 THR HA H 34 4.465 4.465 4.386 0.079 17604 5374 1 9 . 1 1 34 34 THR C C 34 171.627 171.627 172.295 -0.668 17604 5375 1 9 . 1 1 34 34 THR CA C 34 60.050 60.050 61.356 -1.306 17604 5376 1 9 . 1 1 34 34 THR H H 34 7.266 7.266 7.369 -0.103 17604 5377 1 9 . 1 1 35 35 LYS N N 35 124.851 124.851 122.559 2.292 17604 5378 1 9 . 1 1 35 35 LYS C C 35 176.730 176.730 176.754 -0.024 17604 5379 1 9 . 1 1 35 35 LYS H H 35 8.583 8.583 8.278 0.305 17604 5380 1 9 . 1 1 36 36 SER N N 36 119.457 119.457 117.692 1.765 17604 5381 1 9 . 1 1 36 36 SER H H 36 8.748 8.748 7.799 0.949 17604 5382 1 9 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.579 0.306 17604 5383 1 9 . 1 1 37 37 PRO C C 37 177.051 177.051 176.800 0.251 17604 5384 1 9 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.430 -0.201 17604 5385 1 9 . 1 1 38 38 SER N N 38 116.302 116.302 116.083 0.219 17604 5386 1 9 . 1 1 38 38 SER HA H 38 4.730 4.730 4.569 0.161 17604 5387 1 9 . 1 1 38 38 SER C C 38 174.400 174.400 175.315 -0.915 17604 5388 1 9 . 1 1 38 38 SER CA C 38 56.315 56.315 56.687 -0.372 17604 5389 1 9 . 1 1 38 38 SER H H 38 8.230 8.230 7.741 0.489 17604 5390 1 9 . 1 1 39 39 LEU N N 39 133.066 133.066 130.481 2.585 17604 5391 1 9 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.349 0.095 17604 5392 1 9 . 1 1 39 39 LEU C C 39 178.462 178.462 177.567 0.895 17604 5393 1 9 . 1 1 39 39 LEU H H 39 8.961 8.961 8.791 0.170 17604 5394 1 9 . 1 1 40 40 ASN N N 40 116.781 116.781 117.514 -0.733 17604 5395 1 9 . 1 1 40 40 ASN C C 40 178.279 178.279 177.434 0.845 17604 5396 1 9 . 1 1 40 40 ASN H H 40 8.282 8.282 8.219 0.063 17604 5397 1 9 . 1 1 41 41 ALA N N 41 123.917 123.917 122.975 0.942 17604 5398 1 9 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.995 0.218 17604 5399 1 9 . 1 1 41 41 ALA C C 41 179.882 179.882 178.892 0.990 17604 5400 1 9 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.927 -0.214 17604 5401 1 9 . 1 1 41 41 ALA H H 41 7.746 7.746 7.594 0.152 17604 5402 1 9 . 1 1 42 42 ALA N N 42 120.972 120.972 121.295 -0.323 17604 5403 1 9 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.870 -0.129 17604 5404 1 9 . 1 1 42 42 ALA C C 42 178.822 178.822 179.450 -0.628 17604 5405 1 9 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.100 0.333 17604 5406 1 9 . 1 1 42 42 ALA H H 42 7.593 7.593 7.855 -0.262 17604 5407 1 9 . 1 1 43 43 LYS N N 43 117.113 117.113 118.138 -1.025 17604 5408 1 9 . 1 1 43 43 LYS C C 43 177.715 177.715 178.919 -1.204 17604 5409 1 9 . 1 1 43 43 LYS H H 43 8.400 8.400 8.249 0.151 17604 5410 1 9 . 1 1 44 44 SER N N 44 113.825 113.825 115.250 -1.425 17604 5411 1 9 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 5412 1 9 . 1 1 44 44 SER CA C 44 61.708 61.708 61.393 0.315 17604 5413 1 9 . 1 1 44 44 SER H H 44 7.927 7.927 8.145 -0.218 17604 5414 1 9 . 1 1 45 45 GLU N N 45 120.104 120.104 121.229 -1.125 17604 5415 1 9 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.041 0.080 17604 5416 1 9 . 1 1 45 45 GLU C C 45 179.367 179.367 179.148 0.219 17604 5417 1 9 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.997 -0.481 17604 5418 1 9 . 1 1 46 46 LEU N N 46 122.714 122.714 122.337 0.377 17604 5419 1 9 . 1 1 46 46 LEU C C 46 177.304 177.304 178.299 -0.995 17604 5420 1 9 . 1 1 46 46 LEU H H 46 8.304 8.304 8.317 -0.013 17604 5421 1 9 . 1 1 47 47 ASP N N 47 120.220 120.220 119.880 0.340 17604 5422 1 9 . 1 1 47 47 ASP C C 47 181.023 181.023 179.127 1.896 17604 5423 1 9 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.419 -0.153 17604 5424 1 9 . 1 1 47 47 ASP H H 47 8.651 8.651 8.425 0.226 17604 5425 1 9 . 1 1 48 48 LYS N N 48 120.884 120.884 120.007 0.877 17604 5426 1 9 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.052 17604 5427 1 9 . 1 1 48 48 LYS C C 48 178.238 178.238 178.304 -0.066 17604 5428 1 9 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.869 0.241 17604 5429 1 9 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 5430 1 9 . 1 1 49 49 ALA N N 49 121.076 121.076 121.930 -0.854 17604 5431 1 9 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.213 -0.047 17604 5432 1 9 . 1 1 49 49 ALA C C 49 179.471 179.471 179.198 0.273 17604 5433 1 9 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.550 -0.183 17604 5434 1 9 . 1 1 49 49 ALA H H 49 7.926 7.926 7.966 -0.040 17604 5435 1 9 . 1 1 50 50 ILE N N 50 114.845 114.845 115.949 -1.104 17604 5436 1 9 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.052 0.025 17604 5437 1 9 . 1 1 50 50 ILE C C 50 177.256 177.256 177.210 0.046 17604 5438 1 9 . 1 1 50 50 ILE H H 50 8.379 8.379 7.714 0.665 17604 5439 1 9 . 1 1 51 51 GLY N N 51 109.206 109.206 109.792 -0.586 17604 5440 1 9 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 5441 1 9 . 1 1 51 51 GLY H H 51 8.380 8.380 8.380 -0.000 17604 5442 1 9 . 1 1 52 52 ARG N N 52 115.489 115.489 116.558 -1.069 17604 5443 1 9 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.523 0.043 17604 5444 1 9 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 5445 1 9 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17604 5446 1 9 . 1 1 53 53 ASN N N 53 115.422 115.422 120.464 -5.042 17604 5447 1 9 . 1 1 53 53 ASN C C 53 175.434 175.434 174.999 0.435 17604 5448 1 9 . 1 1 53 53 ASN H H 53 8.275 8.275 8.687 -0.412 17604 5449 1 9 . 1 1 54 54 THR N N 54 119.611 119.611 118.050 1.561 17604 5450 1 9 . 1 1 54 54 THR HA H 54 4.303 4.303 4.497 -0.194 17604 5451 1 9 . 1 1 54 54 THR C C 54 177.316 177.316 174.679 2.637 17604 5452 1 9 . 1 1 54 54 THR CA C 54 63.742 63.742 60.886 2.857 17604 5453 1 9 . 1 1 54 54 THR H H 54 9.079 9.079 8.774 0.305 17604 5454 1 9 . 1 1 55 55 ASN N N 55 120.102 120.102 118.457 1.645 17604 5455 1 9 . 1 1 55 55 ASN C C 55 175.771 175.771 175.679 0.092 17604 5456 1 9 . 1 1 55 55 ASN H H 55 9.477 9.477 8.341 1.136 17604 5457 1 9 . 1 1 56 56 GLY N N 56 102.932 102.932 108.289 -5.357 17604 5458 1 9 . 1 1 56 56 GLY C C 56 172.123 172.123 172.898 -0.775 17604 5459 1 9 . 1 1 56 56 GLY H H 56 8.688 8.688 7.824 0.864 17604 5460 1 9 . 1 1 57 57 VAL N N 57 120.312 120.312 118.576 1.736 17604 5461 1 9 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.293 -0.173 17604 5462 1 9 . 1 1 57 57 VAL C C 57 174.887 174.887 174.878 0.009 17604 5463 1 9 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.691 0.974 17604 5464 1 9 . 1 1 57 57 VAL H H 57 7.473 7.473 7.424 0.049 17604 5465 1 9 . 1 1 58 58 ILE N N 58 116.909 116.909 121.352 -4.443 17604 5466 1 9 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.097 -0.222 17604 5467 1 9 . 1 1 58 58 ILE C C 58 175.410 175.410 175.216 0.194 17604 5468 1 9 . 1 1 58 58 ILE H H 58 8.545 8.545 9.077 -0.532 17604 5469 1 9 . 1 1 59 59 THR N N 59 109.210 109.210 112.616 -3.406 17604 5470 1 9 . 1 1 59 59 THR HA H 59 4.619 4.619 4.663 -0.044 17604 5471 1 9 . 1 1 59 59 THR C C 59 176.379 176.379 174.815 1.564 17604 5472 1 9 . 1 1 59 59 THR CA C 59 59.842 59.842 60.186 -0.344 17604 5473 1 9 . 1 1 59 59 THR H H 59 8.694 8.694 9.062 -0.368 17604 5474 1 9 . 1 1 60 60 LYS N N 60 121.466 121.466 121.697 -0.231 17604 5475 1 9 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.960 -0.095 17604 5476 1 9 . 1 1 60 60 LYS C C 60 178.086 178.086 178.330 -0.244 17604 5477 1 9 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.465 0.392 17604 5478 1 9 . 1 1 60 60 LYS H H 60 9.147 9.147 8.820 0.327 17604 5479 1 9 . 1 1 61 61 ASP N N 61 117.243 117.243 118.407 -1.164 17604 5480 1 9 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.408 -0.058 17604 5481 1 9 . 1 1 61 61 ASP C C 61 179.628 179.628 179.011 0.617 17604 5482 1 9 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.526 -0.332 17604 5483 1 9 . 1 1 61 61 ASP H H 61 8.252 8.252 8.533 -0.281 17604 5484 1 9 . 1 1 62 62 GLU N N 62 121.473 121.473 120.198 1.275 17604 5485 1 9 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.070 -0.187 17604 5486 1 9 . 1 1 62 62 GLU C C 62 178.781 178.781 178.832 -0.051 17604 5487 1 9 . 1 1 62 62 GLU H H 62 7.713 7.713 7.910 -0.197 17604 5488 1 9 . 1 1 63 63 ALA N N 63 121.213 121.213 122.801 -1.588 17604 5489 1 9 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.965 -0.071 17604 5490 1 9 . 1 1 63 63 ALA C C 63 180.801 180.801 179.767 1.034 17604 5491 1 9 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.697 -0.593 17604 5492 1 9 . 1 1 63 63 ALA H H 63 8.564 8.564 8.402 0.162 17604 5493 1 9 . 1 1 64 64 GLU N N 64 119.853 119.853 118.217 1.636 17604 5494 1 9 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 5495 1 9 . 1 1 64 64 GLU C C 64 177.889 177.889 178.920 -1.031 17604 5496 1 9 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.418 0.874 17604 5497 1 9 . 1 1 64 64 GLU H H 64 8.423 8.423 8.390 0.033 17604 5498 1 9 . 1 1 65 65 LYS N N 65 122.118 122.118 121.368 0.750 17604 5499 1 9 . 1 1 65 65 LYS C C 65 179.896 179.896 179.006 0.890 17604 5500 1 9 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.640 0.048 17604 5501 1 9 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 5502 1 9 . 1 1 66 66 LEU N N 66 118.262 118.262 119.327 -1.065 17604 5503 1 9 . 1 1 66 66 LEU C C 66 177.988 177.988 179.106 -1.118 17604 5504 1 9 . 1 1 66 66 LEU H H 66 7.705 7.705 8.109 -0.404 17604 5505 1 9 . 1 1 67 67 PHE N N 67 118.838 118.838 120.247 -1.409 17604 5506 1 9 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.285 0.983 17604 5507 1 9 . 1 1 67 67 PHE C C 67 177.256 177.256 177.573 -0.317 17604 5508 1 9 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.754 -1.065 17604 5509 1 9 . 1 1 67 67 PHE H H 67 8.060 8.060 8.470 -0.410 17604 5510 1 9 . 1 1 68 68 ASN N N 68 117.691 117.691 117.404 0.287 17604 5511 1 9 . 1 1 68 68 ASN C C 68 178.790 178.790 177.570 1.220 17604 5512 1 9 . 1 1 68 68 ASN H H 68 8.473 8.473 8.567 -0.094 17604 5513 1 9 . 1 1 69 69 GLN N N 69 118.450 118.450 119.157 -0.707 17604 5514 1 9 . 1 1 69 69 GLN C C 69 178.971 178.971 178.436 0.535 17604 5515 1 9 . 1 1 69 69 GLN H H 69 7.788 7.788 8.084 -0.296 17604 5516 1 9 . 1 1 70 70 ASP N N 70 123.108 123.108 120.932 2.176 17604 5517 1 9 . 1 1 70 70 ASP C C 70 179.925 179.925 178.984 0.941 17604 5518 1 9 . 1 1 70 70 ASP H H 70 8.857 8.857 8.460 0.397 17604 5519 1 9 . 1 1 71 71 VAL N N 71 125.622 125.622 120.722 4.900 17604 5520 1 9 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.485 0.106 17604 5521 1 9 . 1 1 71 71 VAL C C 71 177.173 177.173 177.543 -0.370 17604 5522 1 9 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.790 1.600 17604 5523 1 9 . 1 1 71 71 VAL H H 71 9.017 9.017 8.356 0.661 17604 5524 1 9 . 1 1 72 72 ASP N N 72 118.829 118.829 119.980 -1.151 17604 5525 1 9 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.240 0.113 17604 5526 1 9 . 1 1 72 72 ASP C C 72 178.629 178.629 178.181 0.448 17604 5527 1 9 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.298 0.327 17604 5528 1 9 . 1 1 72 72 ASP H H 72 7.605 7.605 8.143 -0.538 17604 5529 1 9 . 1 1 73 73 ALA N N 73 119.829 119.829 121.705 -1.876 17604 5530 1 9 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.025 0.003 17604 5531 1 9 . 1 1 73 73 ALA C C 73 180.382 180.382 179.548 0.834 17604 5532 1 9 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.045 0.094 17604 5533 1 9 . 1 1 73 73 ALA H H 73 8.344 8.344 8.245 0.099 17604 5534 1 9 . 1 1 74 74 ALA N N 74 123.039 123.039 121.702 1.337 17604 5535 1 9 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.936 0.231 17604 5536 1 9 . 1 1 74 74 ALA C C 74 179.701 179.701 179.449 0.252 17604 5537 1 9 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.891 -0.219 17604 5538 1 9 . 1 1 74 74 ALA H H 74 7.877 7.877 7.690 0.187 17604 5539 1 9 . 1 1 75 75 VAL H H 75 8.180 8.180 7.877 0.303 17604 5540 1 9 . 1 1 76 76 ARG N N 76 117.752 117.752 119.913 -2.161 17604 5541 1 9 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.904 -0.089 17604 5542 1 9 . 1 1 76 76 ARG C C 76 178.843 178.843 178.665 0.178 17604 5543 1 9 . 1 1 76 76 ARG H H 76 8.416 8.416 8.626 -0.210 17604 5544 1 9 . 1 1 77 77 GLY N N 77 105.782 105.782 106.951 -1.169 17604 5545 1 9 . 1 1 77 77 GLY C C 77 176.137 176.137 176.044 0.093 17604 5546 1 9 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.795 -0.738 17604 5547 1 9 . 1 1 77 77 GLY H H 77 8.010 8.010 8.109 -0.099 17604 5548 1 9 . 1 1 78 78 ILE N N 78 121.765 121.765 122.044 -0.279 17604 5549 1 9 . 1 1 78 78 ILE C C 78 177.166 177.166 178.271 -1.105 17604 5550 1 9 . 1 1 78 78 ILE H H 78 7.502 7.502 7.736 -0.234 17604 5551 1 9 . 1 1 79 79 LEU N N 79 115.166 115.166 117.794 -2.628 17604 5552 1 9 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.022 -0.195 17604 5553 1 9 . 1 1 79 79 LEU C C 79 178.804 178.804 178.114 0.690 17604 5554 1 9 . 1 1 79 79 LEU H H 79 7.903 7.903 8.034 -0.131 17604 5555 1 9 . 1 1 80 80 ARG N N 80 114.734 114.734 114.607 0.127 17604 5556 1 9 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.314 0.013 17604 5557 1 9 . 1 1 80 80 ARG C C 80 175.118 175.118 175.793 -0.675 17604 5558 1 9 . 1 1 80 80 ARG H H 80 7.707 7.707 7.644 0.063 17604 5559 1 9 . 1 1 81 81 ASN N N 81 120.809 120.809 118.737 2.072 17604 5560 1 9 . 1 1 81 81 ASN C C 81 174.581 174.581 175.221 -0.640 17604 5561 1 9 . 1 1 81 81 ASN H H 81 7.498 7.498 7.509 -0.011 17604 5562 1 9 . 1 1 82 82 ALA N N 82 127.902 127.902 129.611 -1.709 17604 5563 1 9 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.172 -0.093 17604 5564 1 9 . 1 1 82 82 ALA C C 82 178.943 178.943 178.570 0.373 17604 5565 1 9 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.562 0.285 17604 5566 1 9 . 1 1 82 82 ALA H H 82 8.849 8.849 8.975 -0.126 17604 5567 1 9 . 1 1 83 83 LYS N N 83 114.166 114.166 117.389 -3.223 17604 5568 1 9 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.242 0.047 17604 5569 1 9 . 1 1 83 83 LYS C C 83 177.907 177.907 178.646 -0.739 17604 5570 1 9 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.558 -1.218 17604 5571 1 9 . 1 1 83 83 LYS H H 83 8.060 8.060 8.219 -0.159 17604 5572 1 9 . 1 1 84 84 LEU N N 84 116.412 116.412 120.325 -3.913 17604 5573 1 9 . 1 1 84 84 LEU C C 84 178.335 178.335 178.277 0.058 17604 5574 1 9 . 1 1 84 84 LEU H H 84 7.531 7.531 8.473 -0.942 17604 5575 1 9 . 1 1 85 85 LYS N N 85 121.080 121.080 120.639 0.441 17604 5576 1 9 . 1 1 85 85 LYS H H 85 8.462 8.462 8.406 0.056 17604 5577 1 9 . 1 1 86 86 PRO C C 86 179.959 179.959 179.209 0.750 17604 5578 1 9 . 1 1 87 87 VAL N N 87 115.566 115.566 118.705 -3.139 17604 5579 1 9 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.769 -0.025 17604 5580 1 9 . 1 1 87 87 VAL C C 87 178.545 178.545 178.294 0.251 17604 5581 1 9 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.307 -0.803 17604 5582 1 9 . 1 1 87 87 VAL H H 87 6.893 6.893 7.291 -0.398 17604 5583 1 9 . 1 1 88 88 TYR N N 88 122.544 122.544 121.268 1.276 17604 5584 1 9 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.142 -0.243 17604 5585 1 9 . 1 1 88 88 TYR C C 88 177.722 177.722 178.195 -0.473 17604 5586 1 9 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.996 0.865 17604 5587 1 9 . 1 1 88 88 TYR H H 88 8.457 8.457 8.718 -0.261 17604 5588 1 9 . 1 1 89 89 ASP N N 89 117.217 117.217 117.637 -0.420 17604 5589 1 9 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.361 -0.040 17604 5590 1 9 . 1 1 89 89 ASP C C 89 177.849 177.849 178.456 -0.607 17604 5591 1 9 . 1 1 89 89 ASP H H 89 9.103 9.103 8.931 0.172 17604 5592 1 9 . 1 1 90 90 SER N N 90 113.279 113.279 114.103 -0.824 17604 5593 1 9 . 1 1 90 90 SER HA H 90 4.424 4.424 4.341 0.083 17604 5594 1 9 . 1 1 90 90 SER C C 90 174.362 174.362 175.022 -0.660 17604 5595 1 9 . 1 1 90 90 SER CA C 90 59.655 59.655 59.564 0.091 17604 5596 1 9 . 1 1 90 90 SER H H 90 7.365 7.365 7.648 -0.283 17604 5597 1 9 . 1 1 91 91 LEU N N 91 123.395 123.395 123.693 -0.298 17604 5598 1 9 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.513 -0.089 17604 5599 1 9 . 1 1 91 91 LEU C C 91 176.268 176.268 176.810 -0.542 17604 5600 1 9 . 1 1 91 91 LEU H H 91 7.458 7.458 7.360 0.098 17604 5601 1 9 . 1 1 92 92 ASP N N 92 115.456 115.456 122.036 -6.580 17604 5602 1 9 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.480 0.143 17604 5603 1 9 . 1 1 92 92 ASP C C 92 175.560 175.560 176.712 -1.152 17604 5604 1 9 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.967 -1.791 17604 5605 1 9 . 1 1 92 92 ASP H H 92 7.401 7.401 8.457 -1.056 17604 5606 1 9 . 1 1 93 93 ALA N N 93 119.761 119.761 122.082 -2.321 17604 5607 1 9 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.042 -0.245 17604 5608 1 9 . 1 1 93 93 ALA C C 93 179.896 179.896 179.749 0.147 17604 5609 1 9 . 1 1 93 93 ALA H H 93 8.687 8.687 8.538 0.149 17604 5610 1 9 . 1 1 94 94 VAL N N 94 118.785 118.785 118.184 0.601 17604 5611 1 9 . 1 1 94 94 VAL C C 94 177.307 177.307 177.852 -0.545 17604 5612 1 9 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.780 0.165 17604 5613 1 9 . 1 1 94 94 VAL H H 94 7.822 7.822 7.584 0.238 17604 5614 1 9 . 1 1 95 95 ARG N N 95 119.046 119.046 118.648 0.398 17604 5615 1 9 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.664 -0.085 17604 5616 1 9 . 1 1 95 95 ARG C C 95 178.424 178.424 178.738 -0.314 17604 5617 1 9 . 1 1 95 95 ARG H H 95 7.766 7.766 8.086 -0.320 17604 5618 1 9 . 1 1 96 96 ARG N N 96 118.034 118.034 119.583 -1.549 17604 5619 1 9 . 1 1 96 96 ARG C C 96 177.930 177.930 178.393 -0.463 17604 5620 1 9 . 1 1 96 96 ARG H H 96 8.629 8.629 8.394 0.235 17604 5621 1 9 . 1 1 97 97 ALA N N 97 119.949 119.949 121.316 -1.367 17604 5622 1 9 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.000 0.068 17604 5623 1 9 . 1 1 97 97 ALA C C 97 178.702 178.702 178.916 -0.214 17604 5624 1 9 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.092 0.276 17604 5625 1 9 . 1 1 97 97 ALA H H 97 7.028 7.028 7.445 -0.417 17604 5626 1 9 . 1 1 98 98 ALA N N 98 118.852 118.852 121.147 -2.295 17604 5627 1 9 . 1 1 98 98 ALA C C 98 177.525 177.525 179.078 -1.553 17604 5628 1 9 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.519 0.803 17604 5629 1 9 . 1 1 98 98 ALA H H 98 7.200 7.200 7.228 -0.028 17604 5630 1 9 . 1 1 99 99 ALA N N 99 119.728 119.728 121.633 -1.905 17604 5631 1 9 . 1 1 99 99 ALA HA H 99 3.534 3.534 3.985 -0.451 17604 5632 1 9 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.089 0.507 17604 5633 1 9 . 1 1 99 99 ALA H H 99 7.795 7.795 7.655 0.140 17604 5634 1 9 . 1 1 100 100 ILE N N 100 116.243 116.243 118.290 -2.047 17604 5635 1 9 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.545 -0.094 17604 5636 1 9 . 1 1 100 100 ILE C C 100 176.994 176.994 177.983 -0.989 17604 5637 1 9 . 1 1 100 100 ILE H H 100 8.093 8.093 8.312 -0.219 17604 5638 1 9 . 1 1 101 101 ASN N N 101 116.433 116.433 118.607 -2.174 17604 5639 1 9 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.499 -0.241 17604 5640 1 9 . 1 1 101 101 ASN C C 101 177.449 177.449 177.187 0.262 17604 5641 1 9 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.762 1.064 17604 5642 1 9 . 1 1 101 101 ASN H H 101 8.097 8.097 7.881 0.216 17604 5643 1 9 . 1 1 102 102 MET N N 102 113.936 113.936 118.304 -4.368 17604 5644 1 9 . 1 1 102 102 MET HA H 102 3.657 3.657 4.036 -0.379 17604 5645 1 9 . 1 1 102 102 MET CA C 102 61.050 61.050 57.432 3.618 17604 5646 1 9 . 1 1 102 102 MET H H 102 7.719 7.719 7.942 -0.223 17604 5647 1 9 . 1 1 103 103 VAL N N 103 105.507 105.507 111.302 -5.795 17604 5648 1 9 . 1 1 103 103 VAL C C 103 175.510 175.510 176.160 -0.650 17604 5649 1 9 . 1 1 103 103 VAL CA C 103 61.665 61.665 61.889 -0.224 17604 5650 1 9 . 1 1 103 103 VAL H H 103 7.320 7.320 7.320 -0.000 17604 5651 1 9 . 1 1 104 104 PHE N N 104 126.466 126.466 124.146 2.320 17604 5652 1 9 . 1 1 104 104 PHE C C 104 176.939 176.939 175.075 1.864 17604 5653 1 9 . 1 1 104 104 PHE H H 104 7.877 7.877 7.768 0.109 17604 5654 1 9 . 1 1 105 105 GLN N N 105 119.920 119.920 120.496 -0.576 17604 5655 1 9 . 1 1 105 105 GLN C C 105 174.943 174.943 174.538 0.405 17604 5656 1 9 . 1 1 105 105 GLN H H 105 8.540 8.540 8.246 0.294 17604 5657 1 9 . 1 1 106 106 MET N N 106 117.242 117.242 119.134 -1.892 17604 5658 1 9 . 1 1 106 106 MET HA H 106 4.146 4.146 4.480 -0.334 17604 5659 1 9 . 1 1 106 106 MET C C 106 177.126 177.126 175.779 1.347 17604 5660 1 9 . 1 1 106 106 MET CA C 106 54.786 54.786 54.408 0.378 17604 5661 1 9 . 1 1 106 106 MET H H 106 8.869 8.869 7.623 1.246 17604 5662 1 9 . 1 1 107 107 GLY N N 107 107.963 107.963 112.865 -4.902 17604 5663 1 9 . 1 1 107 107 GLY C C 107 174.858 174.858 174.865 -0.007 17604 5664 1 9 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.300 1.798 17604 5665 1 9 . 1 1 107 107 GLY H H 107 7.819 7.819 8.236 -0.417 17604 5666 1 9 . 1 1 108 108 GLU N N 108 122.988 122.988 119.519 3.469 17604 5667 1 9 . 1 1 108 108 GLU C C 108 179.500 179.500 178.808 0.692 17604 5668 1 9 . 1 1 108 108 GLU H H 108 8.778 8.778 8.808 -0.030 17604 5669 1 9 . 1 1 109 109 THR N N 109 112.024 112.024 115.667 -3.643 17604 5670 1 9 . 1 1 109 109 THR HA H 109 4.193 4.193 4.161 0.032 17604 5671 1 9 . 1 1 109 109 THR C C 109 178.149 178.149 176.726 1.423 17604 5672 1 9 . 1 1 109 109 THR CA C 109 65.018 65.018 67.716 -2.698 17604 5673 1 9 . 1 1 109 109 THR H H 109 8.617 8.617 8.285 0.332 17604 5674 1 9 . 1 1 110 110 GLY N N 110 116.155 116.155 109.830 6.325 17604 5675 1 9 . 1 1 110 110 GLY C C 110 175.727 175.727 176.168 -0.441 17604 5676 1 9 . 1 1 110 110 GLY H H 110 8.631 8.631 8.317 0.314 17604 5677 1 9 . 1 1 111 111 VAL N N 111 120.428 120.428 122.655 -2.227 17604 5678 1 9 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.673 -0.037 17604 5679 1 9 . 1 1 111 111 VAL C C 111 179.055 179.055 177.843 1.212 17604 5680 1 9 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.021 1.107 17604 5681 1 9 . 1 1 111 111 VAL H H 111 8.073 8.073 7.780 0.293 17604 5682 1 9 . 1 1 112 112 ALA N N 112 124.050 124.050 122.579 1.471 17604 5683 1 9 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.059 0.156 17604 5684 1 9 . 1 1 112 112 ALA C C 112 180.059 180.059 179.344 0.715 17604 5685 1 9 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.190 0.230 17604 5686 1 9 . 1 1 112 112 ALA H H 112 8.297 8.297 8.350 -0.053 17604 5687 1 9 . 1 1 113 113 GLY N N 113 105.820 105.820 107.120 -1.300 17604 5688 1 9 . 1 1 113 113 GLY C C 113 175.656 175.656 175.742 -0.086 17604 5689 1 9 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.987 0.031 17604 5690 1 9 . 1 1 113 113 GLY H H 113 8.218 8.218 8.080 0.138 17604 5691 1 9 . 1 1 114 114 PHE N N 114 122.441 122.441 122.172 0.269 17604 5692 1 9 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.435 -0.227 17604 5693 1 9 . 1 1 114 114 PHE C C 114 177.316 177.316 178.100 -0.784 17604 5694 1 9 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.614 -0.740 17604 5695 1 9 . 1 1 114 114 PHE H H 114 8.111 8.111 8.375 -0.264 17604 5696 1 9 . 1 1 115 115 THR N N 115 114.602 114.602 116.634 -2.032 17604 5697 1 9 . 1 1 115 115 THR C C 115 176.611 176.611 176.383 0.228 17604 5698 1 9 . 1 1 115 115 THR CA C 115 66.636 66.636 66.913 -0.277 17604 5699 1 9 . 1 1 115 115 THR H H 115 8.378 8.378 8.374 0.004 17604 5700 1 9 . 1 1 116 116 ASN N N 116 119.071 119.071 119.426 -0.355 17604 5701 1 9 . 1 1 116 116 ASN H H 116 8.276 8.276 7.992 0.284 17604 5702 1 9 . 1 1 117 117 SER C C 117 174.833 174.833 173.616 1.217 17604 5703 1 9 . 1 1 118 118 LEU N N 118 121.114 121.114 120.321 0.793 17604 5704 1 9 . 1 1 118 118 LEU HA H 118 4.172 4.172 4.057 0.115 17604 5705 1 9 . 1 1 118 118 LEU C C 118 177.954 177.954 177.152 0.802 17604 5706 1 9 . 1 1 118 118 LEU H H 118 7.336 7.336 7.039 0.297 17604 5707 1 9 . 1 1 119 119 ARG N N 119 117.315 117.315 116.535 0.780 17604 5708 1 9 . 1 1 119 119 ARG HA H 119 4.051 4.051 4.321 -0.270 17604 5709 1 9 . 1 1 119 119 ARG C C 119 178.720 178.720 175.466 3.254 17604 5710 1 9 . 1 1 119 119 ARG CA C 119 58.621 58.621 56.642 1.979 17604 5711 1 9 . 1 1 119 119 ARG H H 119 8.329 8.329 8.163 0.166 17604 5712 1 9 . 1 1 120 120 MET N N 120 115.507 115.507 116.132 -0.625 17604 5713 1 9 . 1 1 120 120 MET HA H 120 3.969 3.969 4.429 -0.460 17604 5714 1 9 . 1 1 120 120 MET C C 120 178.161 178.161 176.987 1.174 17604 5715 1 9 . 1 1 120 120 MET CA C 120 59.029 59.029 56.889 2.139 17604 5716 1 9 . 1 1 120 120 MET H H 120 7.408 7.408 7.476 -0.068 17604 5717 1 9 . 1 1 121 121 LEU N N 121 117.639 117.639 120.455 -2.816 17604 5718 1 9 . 1 1 121 121 LEU HA H 121 3.853 3.853 4.028 -0.175 17604 5719 1 9 . 1 1 121 121 LEU C C 121 179.852 179.852 179.211 0.641 17604 5720 1 9 . 1 1 121 121 LEU H H 121 7.681 7.681 7.659 0.022 17604 5721 1 9 . 1 1 122 122 GLN N N 122 120.423 120.423 119.406 1.017 17604 5722 1 9 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.027 -0.082 17604 5723 1 9 . 1 1 122 122 GLN C C 122 176.976 176.976 177.368 -0.392 17604 5724 1 9 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.180 1.210 17604 5725 1 9 . 1 1 122 122 GLN H H 122 8.689 8.689 8.151 0.538 17604 5726 1 9 . 1 1 123 123 GLN N N 123 113.631 113.631 115.538 -1.907 17604 5727 1 9 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.147 -0.075 17604 5728 1 9 . 1 1 123 123 GLN C C 123 174.455 174.455 174.988 -0.533 17604 5729 1 9 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.731 -0.551 17604 5730 1 9 . 1 1 123 123 GLN H H 123 7.251 7.251 7.903 -0.652 17604 5731 1 9 . 1 1 124 124 LYS N N 124 114.745 114.745 114.529 0.216 17604 5732 1 9 . 1 1 124 124 LYS C C 124 174.910 174.910 175.148 -0.238 17604 5733 1 9 . 1 1 124 124 LYS H H 124 7.291 7.291 7.381 -0.090 17604 5734 1 9 . 1 1 125 125 ARG N N 125 119.533 119.533 118.674 0.859 17604 5735 1 9 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 5736 1 9 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 5737 1 9 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.547 -0.361 17604 5738 1 9 . 1 1 125 125 ARG H H 125 7.715 7.715 7.854 -0.139 17604 5739 1 9 . 1 1 126 126 TRP N N 126 119.232 119.232 123.555 -4.323 17604 5740 1 9 . 1 1 126 126 TRP C C 126 178.891 178.891 177.723 1.168 17604 5741 1 9 . 1 1 126 126 TRP H H 126 6.888 6.888 7.445 -0.557 17604 5742 1 9 . 1 1 127 127 ASP N N 127 116.481 116.481 118.110 -1.629 17604 5743 1 9 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.431 -0.015 17604 5744 1 9 . 1 1 127 127 ASP C C 127 178.854 178.854 178.504 0.350 17604 5745 1 9 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.957 -0.267 17604 5746 1 9 . 1 1 127 127 ASP H H 127 8.548 8.548 8.805 -0.257 17604 5747 1 9 . 1 1 128 128 GLU N N 128 120.565 120.565 120.325 0.240 17604 5748 1 9 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.066 -0.113 17604 5749 1 9 . 1 1 128 128 GLU C C 128 179.945 179.945 178.466 1.479 17604 5750 1 9 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.076 0.480 17604 5751 1 9 . 1 1 128 128 GLU H H 128 8.311 8.311 8.199 0.112 17604 5752 1 9 . 1 1 129 129 ALA N N 129 122.262 122.262 122.379 -0.117 17604 5753 1 9 . 1 1 129 129 ALA HA H 129 4.008 4.008 4.036 -0.028 17604 5754 1 9 . 1 1 129 129 ALA C C 129 178.673 178.673 179.555 -0.882 17604 5755 1 9 . 1 1 129 129 ALA H H 129 8.630 8.630 8.557 0.073 17604 5756 1 9 . 1 1 130 130 ALA N N 130 119.515 119.515 121.259 -1.744 17604 5757 1 9 . 1 1 130 130 ALA C C 130 179.789 179.789 179.647 0.142 17604 5758 1 9 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.173 0.518 17604 5759 1 9 . 1 1 130 130 ALA H H 130 8.263 8.263 8.080 0.183 17604 5760 1 9 . 1 1 131 131 VAL N N 131 117.584 117.584 118.804 -1.220 17604 5761 1 9 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.402 0.177 17604 5762 1 9 . 1 1 131 131 VAL C C 131 178.341 178.341 177.980 0.361 17604 5763 1 9 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.694 -0.572 17604 5764 1 9 . 1 1 131 131 VAL H H 131 7.883 7.883 8.161 -0.278 17604 5765 1 9 . 1 1 132 132 ASN N N 132 118.267 118.267 117.902 0.365 17604 5766 1 9 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.463 -0.135 17604 5767 1 9 . 1 1 132 132 ASN C C 132 178.969 178.969 178.214 0.755 17604 5768 1 9 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.989 0.837 17604 5769 1 9 . 1 1 133 133 LEU N N 133 121.157 121.157 119.779 1.378 17604 5770 1 9 . 1 1 133 133 LEU C C 133 179.658 179.658 178.809 0.849 17604 5771 1 9 . 1 1 133 133 LEU H H 133 8.868 8.868 8.224 0.644 17604 5772 1 9 . 1 1 134 134 ALA N N 134 121.551 121.551 119.246 2.305 17604 5773 1 9 . 1 1 134 134 ALA C C 134 177.027 177.027 177.541 -0.514 17604 5774 1 9 . 1 1 134 134 ALA H H 134 7.720 7.720 7.521 0.199 17604 5775 1 9 . 1 1 135 135 LYS N N 135 115.144 115.144 118.034 -2.890 17604 5776 1 9 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.384 0.023 17604 5777 1 9 . 1 1 135 135 LYS C C 135 176.809 176.809 176.521 0.288 17604 5778 1 9 . 1 1 135 135 LYS CA C 135 55.912 55.912 55.659 0.253 17604 5779 1 9 . 1 1 135 135 LYS H H 135 7.276 7.276 7.486 -0.210 17604 5780 1 9 . 1 1 136 136 SER N N 136 115.694 115.694 114.667 1.027 17604 5781 1 9 . 1 1 136 136 SER HA H 136 4.427 4.427 4.681 -0.254 17604 5782 1 9 . 1 1 136 136 SER C C 136 174.351 174.351 175.508 -1.157 17604 5783 1 9 . 1 1 136 136 SER CA C 136 58.922 58.922 56.572 2.350 17604 5784 1 9 . 1 1 136 136 SER H H 136 7.550 7.550 7.721 -0.171 17604 5785 1 9 . 1 1 137 137 ARG N N 137 122.410 122.410 121.572 0.838 17604 5786 1 9 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.210 0.038 17604 5787 1 9 . 1 1 137 137 ARG C C 137 178.462 178.462 178.154 0.308 17604 5788 1 9 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.480 -0.913 17604 5789 1 9 . 1 1 137 137 ARG H H 137 8.694 8.694 9.073 -0.379 17604 5790 1 9 . 1 1 138 138 TRP N N 138 119.884 119.884 121.530 -1.646 17604 5791 1 9 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.393 -0.211 17604 5792 1 9 . 1 1 138 138 TRP C C 138 175.710 175.710 177.202 -1.492 17604 5793 1 9 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.851 2.249 17604 5794 1 9 . 1 1 138 138 TRP H H 138 8.476 8.476 8.164 0.312 17604 5795 1 9 . 1 1 139 139 TYR N N 139 118.715 118.715 120.762 -2.047 17604 5796 1 9 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.827 -0.827 17604 5797 1 9 . 1 1 139 139 TYR C C 139 175.701 175.701 177.605 -1.904 17604 5798 1 9 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.804 -1.608 17604 5799 1 9 . 1 1 139 139 TYR H H 139 7.851 7.851 7.790 0.061 17604 5800 1 9 . 1 1 140 140 ASN N N 140 111.811 111.811 116.635 -4.824 17604 5801 1 9 . 1 1 140 140 ASN C C 140 176.521 176.521 177.105 -0.584 17604 5802 1 9 . 1 1 141 141 GLN N N 141 117.421 117.421 119.444 -2.023 17604 5803 1 9 . 1 1 141 141 GLN C C 141 176.598 176.598 176.290 0.308 17604 5804 1 9 . 1 1 141 141 GLN H H 141 7.779 7.779 7.985 -0.206 17604 5805 1 9 . 1 1 142 142 THR N N 142 111.422 111.422 109.786 1.636 17604 5806 1 9 . 1 1 142 142 THR H H 142 7.046 7.046 7.684 -0.638 17604 5807 1 9 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.628 0.316 17604 5808 1 9 . 1 1 143 143 PRO C C 143 178.463 178.463 177.678 0.785 17604 5809 1 9 . 1 1 144 144 ASN N N 144 116.489 116.489 115.300 1.189 17604 5810 1 9 . 1 1 144 144 ASN C C 144 177.480 177.480 177.286 0.194 17604 5811 1 9 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.289 -0.185 17604 5812 1 9 . 1 1 144 144 ASN H H 144 8.194 8.194 8.518 -0.324 17604 5813 1 9 . 1 1 145 145 ARG N N 145 121.900 121.900 120.906 0.994 17604 5814 1 9 . 1 1 145 145 ARG HA H 145 3.902 3.902 3.990 -0.088 17604 5815 1 9 . 1 1 145 145 ARG C C 145 176.937 176.937 178.199 -1.262 17604 5816 1 9 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.356 -1.795 17604 5817 1 9 . 1 1 145 145 ARG H H 145 7.854 7.854 8.236 -0.382 17604 5818 1 9 . 1 1 146 146 ALA N N 146 119.119 119.119 121.114 -1.995 17604 5819 1 9 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.259 -0.274 17604 5820 1 9 . 1 1 146 146 ALA C C 146 179.367 179.367 179.061 0.306 17604 5821 1 9 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.278 0.008 17604 5822 1 9 . 1 1 146 146 ALA H H 146 8.439 8.439 8.094 0.345 17604 5823 1 9 . 1 1 147 147 LYS N N 147 116.600 116.600 119.281 -2.681 17604 5824 1 9 . 1 1 147 147 LYS C C 147 180.052 180.052 178.963 1.089 17604 5825 1 9 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.900 0.744 17604 5826 1 9 . 1 1 147 147 LYS H H 147 8.066 8.066 8.106 -0.040 17604 5827 1 9 . 1 1 148 148 ARG N N 148 119.327 119.327 118.928 0.399 17604 5828 1 9 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.936 -0.162 17604 5829 1 9 . 1 1 148 148 ARG C C 148 180.211 180.211 178.993 1.218 17604 5830 1 9 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.393 1.023 17604 5831 1 9 . 1 1 148 148 ARG H H 148 7.489 7.489 7.843 -0.354 17604 5832 1 9 . 1 1 149 149 VAL N N 149 125.204 125.204 120.499 4.705 17604 5833 1 9 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.772 -0.383 17604 5834 1 9 . 1 1 149 149 VAL C C 149 178.523 178.523 178.277 0.246 17604 5835 1 9 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.641 1.655 17604 5836 1 9 . 1 1 149 149 VAL H H 149 8.876 8.876 7.977 0.899 17604 5837 1 9 . 1 1 150 150 ILE N N 150 121.036 121.036 120.943 0.093 17604 5838 1 9 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.934 -0.041 17604 5839 1 9 . 1 1 150 150 ILE C C 150 178.541 178.541 178.153 0.388 17604 5840 1 9 . 1 1 150 150 ILE H H 150 9.322 9.322 8.855 0.467 17604 5841 1 9 . 1 1 151 151 THR N N 151 117.932 117.932 116.797 1.135 17604 5842 1 9 . 1 1 151 151 THR C C 151 176.418 176.418 176.561 -0.143 17604 5843 1 9 . 1 1 151 151 THR CA C 151 67.495 67.495 67.648 -0.153 17604 5844 1 9 . 1 1 151 151 THR H H 151 8.382 8.382 8.531 -0.149 17604 5845 1 9 . 1 1 152 152 THR N N 152 121.769 121.769 119.750 2.019 17604 5846 1 9 . 1 1 152 152 THR HA H 152 4.117 4.117 4.195 -0.078 17604 5847 1 9 . 1 1 152 152 THR C C 152 176.328 176.328 176.308 0.020 17604 5848 1 9 . 1 1 152 152 THR CA C 152 67.646 67.646 66.881 0.765 17604 5849 1 9 . 1 1 152 152 THR H H 152 7.982 7.982 7.773 0.209 17604 5850 1 9 . 1 1 153 153 PHE N N 153 120.509 120.509 121.247 -0.738 17604 5851 1 9 . 1 1 153 153 PHE C C 153 177.848 177.848 177.434 0.414 17604 5852 1 9 . 1 1 153 153 PHE H H 153 8.410 8.410 8.250 0.160 17604 5853 1 9 . 1 1 154 154 ARG N N 154 117.947 117.947 119.612 -1.665 17604 5854 1 9 . 1 1 154 154 ARG C C 154 178.389 178.389 178.505 -0.116 17604 5855 1 9 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.922 -0.150 17604 5856 1 9 . 1 1 154 154 ARG H H 154 8.733 8.733 8.430 0.303 17604 5857 1 9 . 1 1 155 155 THR N N 155 105.055 105.055 108.822 -3.767 17604 5858 1 9 . 1 1 155 155 THR HA H 155 4.235 4.235 4.301 -0.066 17604 5859 1 9 . 1 1 155 155 THR C C 155 176.705 176.705 175.750 0.955 17604 5860 1 9 . 1 1 155 155 THR CA C 155 62.225 62.225 62.121 0.104 17604 5861 1 9 . 1 1 155 155 THR H H 155 8.219 8.219 7.912 0.307 17604 5862 1 9 . 1 1 156 156 GLY N N 156 111.712 111.712 112.332 -0.620 17604 5863 1 9 . 1 1 156 156 GLY C C 156 172.901 172.901 174.178 -1.277 17604 5864 1 9 . 1 1 156 156 GLY H H 156 8.500 8.500 8.022 0.478 17604 5865 1 9 . 1 1 157 157 THR N N 157 108.367 108.367 110.551 -2.184 17604 5866 1 9 . 1 1 157 157 THR HA H 157 4.646 4.646 4.377 0.269 17604 5867 1 9 . 1 1 157 157 THR C C 157 174.042 174.042 173.035 1.007 17604 5868 1 9 . 1 1 157 157 THR CA C 157 58.745 58.745 59.385 -0.640 17604 5869 1 9 . 1 1 157 157 THR H H 157 7.568 7.568 7.256 0.312 17604 5870 1 9 . 1 1 158 158 TRP N N 158 117.864 117.864 119.734 -1.870 17604 5871 1 9 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.936 0.088 17604 5872 1 9 . 1 1 158 158 TRP C C 158 178.088 178.088 176.873 1.215 17604 5873 1 9 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.472 -0.334 17604 5874 1 9 . 1 1 158 158 TRP H H 158 8.512 8.512 8.603 -0.091 17604 5875 1 9 . 1 1 159 159 ASP N N 159 119.522 119.522 122.146 -2.624 17604 5876 1 9 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.458 -0.262 17604 5877 1 9 . 1 1 159 159 ASP C C 159 177.430 177.430 178.101 -0.671 17604 5878 1 9 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.616 1.042 17604 5879 1 9 . 1 1 159 159 ASP H H 159 7.972 7.972 7.849 0.123 17604 5880 1 9 . 1 1 160 160 ALA N N 160 119.939 119.939 121.162 -1.223 17604 5881 1 9 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.177 -0.004 17604 5882 1 9 . 1 1 160 160 ALA C C 160 177.293 177.293 177.926 -0.633 17604 5883 1 9 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.658 -0.078 17604 5884 1 9 . 1 1 160 160 ALA H H 160 9.143 9.143 8.338 0.804 17604 5885 1 9 . 1 1 161 161 TYR N N 161 113.613 113.613 113.317 0.296 17604 5886 1 9 . 1 1 161 161 TYR C C 161 175.078 175.078 177.431 -2.353 17604 5887 1 9 . 1 1 161 161 TYR H H 161 8.071 8.071 8.013 0.058 17604 5888 1 9 . 1 1 162 162 LYS N N 162 119.559 119.559 120.623 -1.064 17604 5889 1 9 . 1 1 162 162 LYS C C 162 176.124 176.124 177.730 -1.606 17604 5890 1 9 . 1 1 162 162 LYS H H 162 7.266 7.266 7.663 -0.397 17604 5891 1 9 . 1 1 163 163 ASN N N 163 116.663 116.663 115.963 0.700 17604 5892 1 9 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.681 -0.154 17604 5893 1 9 . 1 1 163 163 ASN C C 163 173.671 173.671 175.324 -1.653 17604 5894 1 9 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.505 0.536 17604 5895 1 9 . 1 1 163 163 ASN H H 163 8.629 8.629 8.406 0.223 17604 5896 1 10 . 1 1 2 2 ASN N N 2 115.717 115.717 119.800 -4.083 17604 5897 1 10 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.581 -0.070 17604 5898 1 10 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.057 0.368 17604 5899 1 10 . 1 1 2 2 ASN H H 2 6.884 6.884 7.740 -0.856 17604 5900 1 10 . 1 1 3 3 ILE N N 3 116.556 116.556 119.973 -3.417 17604 5901 1 10 . 1 1 3 3 ILE C C 3 174.025 174.025 176.451 -2.426 17604 5902 1 10 . 1 1 3 3 ILE H H 3 8.891 8.891 8.505 0.386 17604 5903 1 10 . 1 1 4 4 PHE N N 4 121.687 121.687 118.817 2.870 17604 5904 1 10 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.205 -0.127 17604 5905 1 10 . 1 1 4 4 PHE C C 4 177.177 177.177 178.083 -0.906 17604 5906 1 10 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.305 -1.706 17604 5907 1 10 . 1 1 4 4 PHE H H 4 7.295 7.295 8.043 -0.748 17604 5908 1 10 . 1 1 5 5 GLU N N 5 118.203 118.203 119.567 -1.364 17604 5909 1 10 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.910 -0.069 17604 5910 1 10 . 1 1 5 5 GLU C C 5 178.279 178.279 179.043 -0.764 17604 5911 1 10 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.171 -0.395 17604 5912 1 10 . 1 1 5 5 GLU H H 5 7.886 7.886 8.603 -0.717 17604 5913 1 10 . 1 1 6 6 MET N N 6 118.175 118.175 120.942 -2.767 17604 5914 1 10 . 1 1 6 6 MET HA H 6 3.243 3.243 3.786 -0.543 17604 5915 1 10 . 1 1 6 6 MET C C 6 177.116 177.116 178.033 -0.917 17604 5916 1 10 . 1 1 6 6 MET CA C 6 58.652 58.652 59.245 -0.593 17604 5917 1 10 . 1 1 7 7 LEU N N 7 116.108 116.108 118.394 -2.286 17604 5918 1 10 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.905 0.049 17604 5919 1 10 . 1 1 7 7 LEU C C 7 178.529 178.529 178.694 -0.165 17604 5920 1 10 . 1 1 7 7 LEU H H 7 8.029 8.029 8.234 -0.205 17604 5921 1 10 . 1 1 8 8 ARG N N 8 120.650 120.650 120.107 0.543 17604 5922 1 10 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.844 -0.281 17604 5923 1 10 . 1 1 8 8 ARG C C 8 180.117 180.117 178.758 1.359 17604 5924 1 10 . 1 1 8 8 ARG H H 8 8.121 8.121 8.126 -0.005 17604 5925 1 10 . 1 1 9 9 ILE N N 9 120.885 120.885 118.567 2.318 17604 5926 1 10 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.777 -0.290 17604 5927 1 10 . 1 1 9 9 ILE C C 9 177.395 177.395 177.313 0.082 17604 5928 1 10 . 1 1 9 9 ILE H H 9 7.619 7.619 7.961 -0.342 17604 5929 1 10 . 1 1 10 10 ASP N N 10 117.684 117.684 117.762 -0.078 17604 5930 1 10 . 1 1 10 10 ASP C C 10 177.857 177.857 178.264 -0.407 17604 5931 1 10 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.961 1.301 17604 5932 1 10 . 1 1 10 10 ASP H H 10 8.012 8.012 7.974 0.038 17604 5933 1 10 . 1 1 11 11 GLU N N 11 115.103 115.103 115.929 -0.826 17604 5934 1 10 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.564 -0.016 17604 5935 1 10 . 1 1 11 11 GLU C C 11 178.204 178.204 177.499 0.705 17604 5936 1 10 . 1 1 11 11 GLU CA C 11 55.407 55.407 56.119 -0.712 17604 5937 1 10 . 1 1 11 11 GLU H H 11 8.837 8.837 8.299 0.538 17604 5938 1 10 . 1 1 12 12 GLY N N 12 109.255 109.255 108.616 0.639 17604 5939 1 10 . 1 1 12 12 GLY C C 12 170.041 170.041 171.890 -1.849 17604 5940 1 10 . 1 1 13 13 LEU N N 13 117.280 117.280 121.461 -4.181 17604 5941 1 10 . 1 1 13 13 LEU C C 13 175.609 175.609 175.117 0.492 17604 5942 1 10 . 1 1 13 13 LEU H H 13 7.770 7.770 8.211 -0.441 17604 5943 1 10 . 1 1 14 14 ARG N N 14 126.444 126.444 125.082 1.362 17604 5944 1 10 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.656 0.009 17604 5945 1 10 . 1 1 14 14 ARG C C 14 175.900 175.900 175.903 -0.003 17604 5946 1 10 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.879 -0.788 17604 5947 1 10 . 1 1 14 14 ARG H H 14 8.272 8.272 8.228 0.044 17604 5948 1 10 . 1 1 15 15 LEU N N 15 122.951 122.951 121.326 1.625 17604 5949 1 10 . 1 1 15 15 LEU C C 15 173.723 173.723 176.046 -2.323 17604 5950 1 10 . 1 1 15 15 LEU H H 15 8.806 8.806 8.650 0.156 17604 5951 1 10 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 5952 1 10 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 5953 1 10 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 5954 1 10 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 5955 1 10 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 5956 1 10 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 5957 1 10 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.291 -0.158 17604 5958 1 10 . 1 1 17 17 ILE C C 17 174.773 174.773 176.491 -1.718 17604 5959 1 10 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 5960 1 10 . 1 1 18 18 TYR N N 18 127.713 127.713 125.980 1.733 17604 5961 1 10 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.117 -0.003 17604 5962 1 10 . 1 1 18 18 TYR C C 18 172.709 172.709 173.527 -0.818 17604 5963 1 10 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.295 -0.007 17604 5964 1 10 . 1 1 18 18 TYR H H 18 9.391 9.391 9.091 0.299 17604 5965 1 10 . 1 1 19 19 LYS N N 19 122.584 122.584 120.910 1.674 17604 5966 1 10 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.554 0.009 17604 5967 1 10 . 1 1 19 19 LYS C C 19 176.060 176.060 176.227 -0.167 17604 5968 1 10 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.008 0.017 17604 5969 1 10 . 1 1 19 19 LYS H H 19 8.342 8.342 8.415 -0.073 17604 5970 1 10 . 1 1 20 20 ASP N N 20 124.864 124.864 124.490 0.374 17604 5971 1 10 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.753 -0.182 17604 5972 1 10 . 1 1 20 20 ASP C C 20 178.088 178.088 178.329 -0.241 17604 5973 1 10 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.184 -0.463 17604 5974 1 10 . 1 1 20 20 ASP H H 20 8.509 8.509 8.840 -0.331 17604 5975 1 10 . 1 1 21 21 THR N N 21 110.253 110.253 109.415 0.838 17604 5976 1 10 . 1 1 21 21 THR HA H 21 3.978 3.978 4.072 -0.094 17604 5977 1 10 . 1 1 21 21 THR C C 21 175.847 175.847 175.760 0.087 17604 5978 1 10 . 1 1 21 21 THR CA C 21 65.115 65.115 64.886 0.229 17604 5979 1 10 . 1 1 21 21 THR H H 21 7.975 7.975 8.592 -0.617 17604 5980 1 10 . 1 1 22 22 GLU N N 22 120.058 120.058 119.925 0.133 17604 5981 1 10 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.281 -0.121 17604 5982 1 10 . 1 1 22 22 GLU C C 22 175.511 175.511 176.317 -0.806 17604 5983 1 10 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.866 0.106 17604 5984 1 10 . 1 1 23 23 GLY N N 23 106.801 106.801 106.725 0.076 17604 5985 1 10 . 1 1 23 23 GLY C C 23 173.498 173.498 174.027 -0.529 17604 5986 1 10 . 1 1 23 23 GLY H H 23 7.831 7.831 7.839 -0.008 17604 5987 1 10 . 1 1 24 24 TYR N N 24 120.577 120.577 119.571 1.006 17604 5988 1 10 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.508 0.441 17604 5989 1 10 . 1 1 24 24 TYR C C 24 177.646 177.646 175.808 1.838 17604 5990 1 10 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.471 -1.766 17604 5991 1 10 . 1 1 24 24 TYR H H 24 8.190 8.190 8.084 0.106 17604 5992 1 10 . 1 1 25 25 TYR N N 25 122.599 122.599 123.191 -0.592 17604 5993 1 10 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.890 0.003 17604 5994 1 10 . 1 1 25 25 TYR C C 25 175.225 175.225 176.201 -0.976 17604 5995 1 10 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.011 -0.180 17604 5996 1 10 . 1 1 25 25 TYR H H 25 8.730 8.730 8.880 -0.150 17604 5997 1 10 . 1 1 26 26 THR N N 26 120.566 120.566 118.039 2.527 17604 5998 1 10 . 1 1 26 26 THR C C 26 170.704 170.704 172.607 -1.903 17604 5999 1 10 . 1 1 26 26 THR CA C 26 60.848 60.848 61.276 -0.428 17604 6000 1 10 . 1 1 26 26 THR H H 26 9.394 9.394 9.066 0.328 17604 6001 1 10 . 1 1 27 27 ILE N N 27 120.480 120.480 120.676 -0.196 17604 6002 1 10 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.516 0.119 17604 6003 1 10 . 1 1 27 27 ILE C C 27 172.588 172.588 174.636 -2.048 17604 6004 1 10 . 1 1 27 27 ILE H H 27 8.842 8.842 8.525 0.317 17604 6005 1 10 . 1 1 28 28 GLY N N 28 112.034 112.034 112.805 -0.771 17604 6006 1 10 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 6007 1 10 . 1 1 28 28 GLY H H 28 8.585 8.585 8.799 -0.214 17604 6008 1 10 . 1 1 29 29 ILE N N 29 134.307 134.307 125.116 9.191 17604 6009 1 10 . 1 1 29 29 ILE C C 29 176.641 176.641 176.631 0.010 17604 6010 1 10 . 1 1 29 29 ILE H H 29 10.269 10.269 8.647 1.622 17604 6011 1 10 . 1 1 30 30 GLY N N 30 107.697 107.697 112.468 -4.771 17604 6012 1 10 . 1 1 30 30 GLY C C 30 173.103 173.103 174.233 -1.130 17604 6013 1 10 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.083 0.564 17604 6014 1 10 . 1 1 30 30 GLY H H 30 8.159 8.159 8.398 -0.239 17604 6015 1 10 . 1 1 31 31 HIS N N 31 115.580 115.580 120.112 -4.532 17604 6016 1 10 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.621 -0.277 17604 6017 1 10 . 1 1 31 31 HIS C C 31 173.242 173.242 174.581 -1.339 17604 6018 1 10 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.843 1.814 17604 6019 1 10 . 1 1 31 31 HIS H H 31 8.274 8.274 8.412 -0.138 17604 6020 1 10 . 1 1 32 32 LEU N N 32 131.965 131.965 128.639 3.326 17604 6021 1 10 . 1 1 32 32 LEU C C 32 176.441 176.441 175.649 0.792 17604 6022 1 10 . 1 1 32 32 LEU H H 32 7.916 7.916 8.264 -0.348 17604 6023 1 10 . 1 1 33 33 LEU N N 33 125.891 125.891 126.353 -0.462 17604 6024 1 10 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.360 0.137 17604 6025 1 10 . 1 1 33 33 LEU C C 33 176.188 176.188 177.124 -0.936 17604 6026 1 10 . 1 1 33 33 LEU H H 33 9.078 9.078 8.779 0.299 17604 6027 1 10 . 1 1 34 34 THR N N 34 109.694 109.694 109.028 0.666 17604 6028 1 10 . 1 1 34 34 THR HA H 34 4.465 4.465 4.388 0.077 17604 6029 1 10 . 1 1 34 34 THR C C 34 171.627 171.627 172.303 -0.676 17604 6030 1 10 . 1 1 34 34 THR CA C 34 60.050 60.050 61.359 -1.310 17604 6031 1 10 . 1 1 34 34 THR H H 34 7.266 7.266 7.378 -0.112 17604 6032 1 10 . 1 1 35 35 LYS N N 35 124.851 124.851 122.572 2.279 17604 6033 1 10 . 1 1 35 35 LYS C C 35 176.730 176.730 176.760 -0.030 17604 6034 1 10 . 1 1 35 35 LYS H H 35 8.583 8.583 8.278 0.305 17604 6035 1 10 . 1 1 36 36 SER N N 36 119.457 119.457 117.700 1.757 17604 6036 1 10 . 1 1 36 36 SER H H 36 8.748 8.748 7.815 0.933 17604 6037 1 10 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.581 0.304 17604 6038 1 10 . 1 1 37 37 PRO C C 37 177.051 177.051 176.802 0.249 17604 6039 1 10 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.432 -0.203 17604 6040 1 10 . 1 1 38 38 SER N N 38 116.302 116.302 116.089 0.213 17604 6041 1 10 . 1 1 38 38 SER HA H 38 4.730 4.730 4.570 0.160 17604 6042 1 10 . 1 1 38 38 SER C C 38 174.400 174.400 175.315 -0.915 17604 6043 1 10 . 1 1 38 38 SER CA C 38 56.315 56.315 56.688 -0.373 17604 6044 1 10 . 1 1 38 38 SER H H 38 8.230 8.230 7.743 0.487 17604 6045 1 10 . 1 1 39 39 LEU N N 39 133.066 133.066 130.482 2.584 17604 6046 1 10 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.350 0.094 17604 6047 1 10 . 1 1 39 39 LEU C C 39 178.462 178.462 177.569 0.893 17604 6048 1 10 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 6049 1 10 . 1 1 40 40 ASN N N 40 116.781 116.781 117.515 -0.734 17604 6050 1 10 . 1 1 40 40 ASN C C 40 178.279 178.279 177.435 0.844 17604 6051 1 10 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 6052 1 10 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 6053 1 10 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.996 0.217 17604 6054 1 10 . 1 1 41 41 ALA C C 41 179.882 179.882 178.893 0.989 17604 6055 1 10 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.928 -0.215 17604 6056 1 10 . 1 1 41 41 ALA H H 41 7.746 7.746 7.595 0.151 17604 6057 1 10 . 1 1 42 42 ALA N N 42 120.972 120.972 121.297 -0.325 17604 6058 1 10 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.874 -0.133 17604 6059 1 10 . 1 1 42 42 ALA C C 42 178.822 178.822 179.452 -0.630 17604 6060 1 10 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.104 0.329 17604 6061 1 10 . 1 1 42 42 ALA H H 42 7.593 7.593 7.857 -0.264 17604 6062 1 10 . 1 1 43 43 LYS N N 43 117.113 117.113 118.140 -1.027 17604 6063 1 10 . 1 1 43 43 LYS C C 43 177.715 177.715 178.920 -1.205 17604 6064 1 10 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 6065 1 10 . 1 1 44 44 SER N N 44 113.825 113.825 115.252 -1.427 17604 6066 1 10 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 6067 1 10 . 1 1 44 44 SER CA C 44 61.708 61.708 61.394 0.314 17604 6068 1 10 . 1 1 44 44 SER H H 44 7.927 7.927 8.146 -0.219 17604 6069 1 10 . 1 1 45 45 GLU N N 45 120.104 120.104 121.229 -1.125 17604 6070 1 10 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.041 0.080 17604 6071 1 10 . 1 1 45 45 GLU C C 45 179.367 179.367 179.149 0.218 17604 6072 1 10 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.997 -0.481 17604 6073 1 10 . 1 1 46 46 LEU N N 46 122.714 122.714 122.366 0.348 17604 6074 1 10 . 1 1 46 46 LEU C C 46 177.304 177.304 178.307 -1.003 17604 6075 1 10 . 1 1 46 46 LEU H H 46 8.304 8.304 8.316 -0.012 17604 6076 1 10 . 1 1 47 47 ASP N N 47 120.220 120.220 119.879 0.341 17604 6077 1 10 . 1 1 47 47 ASP C C 47 181.023 181.023 179.126 1.897 17604 6078 1 10 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.417 -0.151 17604 6079 1 10 . 1 1 47 47 ASP H H 47 8.651 8.651 8.424 0.227 17604 6080 1 10 . 1 1 48 48 LYS N N 48 120.884 120.884 120.005 0.879 17604 6081 1 10 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.052 17604 6082 1 10 . 1 1 48 48 LYS C C 48 178.238 178.238 178.305 -0.067 17604 6083 1 10 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.869 0.241 17604 6084 1 10 . 1 1 48 48 LYS H H 48 7.794 7.794 7.930 -0.136 17604 6085 1 10 . 1 1 49 49 ALA N N 49 121.076 121.076 121.929 -0.853 17604 6086 1 10 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.219 -0.053 17604 6087 1 10 . 1 1 49 49 ALA C C 49 179.471 179.471 179.197 0.274 17604 6088 1 10 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.553 -0.186 17604 6089 1 10 . 1 1 49 49 ALA H H 49 7.926 7.926 7.966 -0.040 17604 6090 1 10 . 1 1 50 50 ILE N N 50 114.845 114.845 115.946 -1.101 17604 6091 1 10 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.047 0.030 17604 6092 1 10 . 1 1 50 50 ILE C C 50 177.256 177.256 177.207 0.049 17604 6093 1 10 . 1 1 50 50 ILE H H 50 8.379 8.379 7.711 0.668 17604 6094 1 10 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.584 17604 6095 1 10 . 1 1 51 51 GLY C C 51 173.731 173.731 173.776 -0.045 17604 6096 1 10 . 1 1 51 51 GLY H H 51 8.380 8.380 8.379 0.001 17604 6097 1 10 . 1 1 52 52 ARG N N 52 115.489 115.489 116.554 -1.065 17604 6098 1 10 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 6099 1 10 . 1 1 52 52 ARG C C 52 172.318 172.318 173.392 -1.074 17604 6100 1 10 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17604 6101 1 10 . 1 1 53 53 ASN N N 53 115.422 115.422 120.463 -5.041 17604 6102 1 10 . 1 1 53 53 ASN C C 53 175.434 175.434 174.998 0.436 17604 6103 1 10 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 6104 1 10 . 1 1 54 54 THR N N 54 119.611 119.611 118.054 1.557 17604 6105 1 10 . 1 1 54 54 THR HA H 54 4.303 4.303 4.495 -0.192 17604 6106 1 10 . 1 1 54 54 THR C C 54 177.316 177.316 174.678 2.638 17604 6107 1 10 . 1 1 54 54 THR CA C 54 63.742 63.742 60.883 2.859 17604 6108 1 10 . 1 1 54 54 THR H H 54 9.079 9.079 8.773 0.306 17604 6109 1 10 . 1 1 55 55 ASN N N 55 120.102 120.102 118.458 1.644 17604 6110 1 10 . 1 1 55 55 ASN C C 55 175.771 175.771 175.681 0.090 17604 6111 1 10 . 1 1 55 55 ASN H H 55 9.477 9.477 8.340 1.137 17604 6112 1 10 . 1 1 56 56 GLY N N 56 102.932 102.932 108.295 -5.363 17604 6113 1 10 . 1 1 56 56 GLY C C 56 172.123 172.123 172.894 -0.771 17604 6114 1 10 . 1 1 56 56 GLY H H 56 8.688 8.688 7.829 0.859 17604 6115 1 10 . 1 1 57 57 VAL N N 57 120.312 120.312 118.577 1.735 17604 6116 1 10 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 6117 1 10 . 1 1 57 57 VAL C C 57 174.887 174.887 174.883 0.004 17604 6118 1 10 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.689 0.976 17604 6119 1 10 . 1 1 57 57 VAL H H 57 7.473 7.473 7.423 0.050 17604 6120 1 10 . 1 1 58 58 ILE N N 58 116.909 116.909 121.365 -4.456 17604 6121 1 10 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.094 -0.219 17604 6122 1 10 . 1 1 58 58 ILE C C 58 175.410 175.410 175.214 0.196 17604 6123 1 10 . 1 1 58 58 ILE H H 58 8.545 8.545 9.075 -0.530 17604 6124 1 10 . 1 1 59 59 THR N N 59 109.210 109.210 112.612 -3.402 17604 6125 1 10 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 6126 1 10 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 6127 1 10 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 6128 1 10 . 1 1 59 59 THR H H 59 8.694 8.694 9.057 -0.363 17604 6129 1 10 . 1 1 60 60 LYS N N 60 121.466 121.466 121.691 -0.225 17604 6130 1 10 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 6131 1 10 . 1 1 60 60 LYS C C 60 178.086 178.086 178.331 -0.245 17604 6132 1 10 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.463 0.394 17604 6133 1 10 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 6134 1 10 . 1 1 61 61 ASP N N 61 117.243 117.243 118.408 -1.165 17604 6135 1 10 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.409 -0.059 17604 6136 1 10 . 1 1 61 61 ASP C C 61 179.628 179.628 179.025 0.603 17604 6137 1 10 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.523 -0.329 17604 6138 1 10 . 1 1 61 61 ASP H H 61 8.252 8.252 8.533 -0.281 17604 6139 1 10 . 1 1 62 62 GLU N N 62 121.473 121.473 120.194 1.279 17604 6140 1 10 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.066 -0.183 17604 6141 1 10 . 1 1 62 62 GLU C C 62 178.781 178.781 178.824 -0.043 17604 6142 1 10 . 1 1 62 62 GLU H H 62 7.713 7.713 7.902 -0.189 17604 6143 1 10 . 1 1 63 63 ALA N N 63 121.213 121.213 122.793 -1.580 17604 6144 1 10 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.951 -0.057 17604 6145 1 10 . 1 1 63 63 ALA C C 63 180.801 180.801 179.763 1.038 17604 6146 1 10 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.687 -0.583 17604 6147 1 10 . 1 1 63 63 ALA H H 63 8.564 8.564 8.397 0.167 17604 6148 1 10 . 1 1 64 64 GLU N N 64 119.853 119.853 118.217 1.636 17604 6149 1 10 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.189 -0.004 17604 6150 1 10 . 1 1 64 64 GLU C C 64 177.889 177.889 178.922 -1.033 17604 6151 1 10 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.419 0.873 17604 6152 1 10 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 6153 1 10 . 1 1 65 65 LYS N N 65 122.118 122.118 121.368 0.750 17604 6154 1 10 . 1 1 65 65 LYS C C 65 179.896 179.896 179.005 0.891 17604 6155 1 10 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.640 0.048 17604 6156 1 10 . 1 1 65 65 LYS H H 65 7.893 7.893 8.006 -0.113 17604 6157 1 10 . 1 1 66 66 LEU N N 66 118.262 118.262 119.316 -1.054 17604 6158 1 10 . 1 1 66 66 LEU C C 66 177.988 177.988 179.092 -1.104 17604 6159 1 10 . 1 1 66 66 LEU H H 66 7.705 7.705 8.097 -0.392 17604 6160 1 10 . 1 1 67 67 PHE N N 67 118.838 118.838 120.236 -1.398 17604 6161 1 10 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.265 1.003 17604 6162 1 10 . 1 1 67 67 PHE C C 67 177.256 177.256 177.533 -0.277 17604 6163 1 10 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.826 -1.137 17604 6164 1 10 . 1 1 67 67 PHE H H 67 8.060 8.060 8.458 -0.398 17604 6165 1 10 . 1 1 68 68 ASN N N 68 117.691 117.691 117.402 0.289 17604 6166 1 10 . 1 1 68 68 ASN C C 68 178.790 178.790 177.568 1.222 17604 6167 1 10 . 1 1 68 68 ASN H H 68 8.473 8.473 8.568 -0.095 17604 6168 1 10 . 1 1 69 69 GLN N N 69 118.450 118.450 119.184 -0.734 17604 6169 1 10 . 1 1 69 69 GLN C C 69 178.971 178.971 178.443 0.528 17604 6170 1 10 . 1 1 69 69 GLN H H 69 7.788 7.788 8.085 -0.297 17604 6171 1 10 . 1 1 70 70 ASP N N 70 123.108 123.108 120.929 2.179 17604 6172 1 10 . 1 1 70 70 ASP C C 70 179.925 179.925 178.945 0.980 17604 6173 1 10 . 1 1 70 70 ASP H H 70 8.857 8.857 8.453 0.404 17604 6174 1 10 . 1 1 71 71 VAL N N 71 125.622 125.622 120.655 4.967 17604 6175 1 10 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.432 0.159 17604 6176 1 10 . 1 1 71 71 VAL C C 71 177.173 177.173 177.530 -0.357 17604 6177 1 10 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.760 1.631 17604 6178 1 10 . 1 1 71 71 VAL H H 71 9.017 9.017 8.315 0.702 17604 6179 1 10 . 1 1 72 72 ASP N N 72 118.829 118.829 119.971 -1.142 17604 6180 1 10 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.239 0.114 17604 6181 1 10 . 1 1 72 72 ASP C C 72 178.629 178.629 178.174 0.455 17604 6182 1 10 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.298 0.327 17604 6183 1 10 . 1 1 72 72 ASP H H 72 7.605 7.605 8.134 -0.529 17604 6184 1 10 . 1 1 73 73 ALA N N 73 119.829 119.829 121.695 -1.866 17604 6185 1 10 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.024 0.004 17604 6186 1 10 . 1 1 73 73 ALA C C 73 180.382 180.382 179.545 0.837 17604 6187 1 10 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.049 0.090 17604 6188 1 10 . 1 1 73 73 ALA H H 73 8.344 8.344 8.241 0.103 17604 6189 1 10 . 1 1 74 74 ALA N N 74 123.039 123.039 121.920 1.119 17604 6190 1 10 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.989 0.178 17604 6191 1 10 . 1 1 74 74 ALA C C 74 179.701 179.701 179.567 0.134 17604 6192 1 10 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.852 -0.181 17604 6193 1 10 . 1 1 74 74 ALA H H 74 7.877 7.877 7.704 0.173 17604 6194 1 10 . 1 1 75 75 VAL H H 75 8.180 8.180 7.878 0.302 17604 6195 1 10 . 1 1 76 76 ARG N N 76 117.752 117.752 119.356 -1.604 17604 6196 1 10 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.890 -0.075 17604 6197 1 10 . 1 1 76 76 ARG C C 76 178.843 178.843 178.912 -0.069 17604 6198 1 10 . 1 1 76 76 ARG H H 76 8.416 8.416 8.658 -0.242 17604 6199 1 10 . 1 1 77 77 GLY N N 77 105.782 105.782 107.255 -1.473 17604 6200 1 10 . 1 1 77 77 GLY C C 77 176.137 176.137 175.778 0.359 17604 6201 1 10 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.719 -0.662 17604 6202 1 10 . 1 1 77 77 GLY H H 77 8.010 8.010 8.112 -0.102 17604 6203 1 10 . 1 1 78 78 ILE N N 78 121.765 121.765 122.044 -0.279 17604 6204 1 10 . 1 1 78 78 ILE C C 78 177.166 177.166 178.270 -1.104 17604 6205 1 10 . 1 1 78 78 ILE H H 78 7.502 7.502 7.737 -0.235 17604 6206 1 10 . 1 1 79 79 LEU N N 79 115.166 115.166 117.799 -2.633 17604 6207 1 10 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.022 -0.195 17604 6208 1 10 . 1 1 79 79 LEU C C 79 178.804 178.804 178.116 0.688 17604 6209 1 10 . 1 1 79 79 LEU H H 79 7.903 7.903 8.035 -0.132 17604 6210 1 10 . 1 1 80 80 ARG N N 80 114.734 114.734 114.609 0.125 17604 6211 1 10 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.314 0.013 17604 6212 1 10 . 1 1 80 80 ARG C C 80 175.118 175.118 175.792 -0.674 17604 6213 1 10 . 1 1 80 80 ARG H H 80 7.707 7.707 7.643 0.064 17604 6214 1 10 . 1 1 81 81 ASN N N 81 120.809 120.809 118.734 2.075 17604 6215 1 10 . 1 1 81 81 ASN C C 81 174.581 174.581 175.222 -0.641 17604 6216 1 10 . 1 1 81 81 ASN H H 81 7.498 7.498 7.508 -0.011 17604 6217 1 10 . 1 1 82 82 ALA N N 82 127.902 127.902 129.608 -1.706 17604 6218 1 10 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.171 -0.092 17604 6219 1 10 . 1 1 82 82 ALA C C 82 178.943 178.943 178.570 0.373 17604 6220 1 10 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.561 0.286 17604 6221 1 10 . 1 1 82 82 ALA H H 82 8.849 8.849 8.974 -0.125 17604 6222 1 10 . 1 1 83 83 LYS N N 83 114.166 114.166 117.384 -3.218 17604 6223 1 10 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.241 0.048 17604 6224 1 10 . 1 1 83 83 LYS C C 83 177.907 177.907 178.642 -0.735 17604 6225 1 10 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.559 -1.219 17604 6226 1 10 . 1 1 83 83 LYS H H 83 8.060 8.060 8.217 -0.157 17604 6227 1 10 . 1 1 84 84 LEU N N 84 116.412 116.412 120.295 -3.883 17604 6228 1 10 . 1 1 84 84 LEU C C 84 178.335 178.335 178.280 0.055 17604 6229 1 10 . 1 1 84 84 LEU H H 84 7.531 7.531 8.452 -0.921 17604 6230 1 10 . 1 1 85 85 LYS N N 85 121.080 121.080 120.640 0.440 17604 6231 1 10 . 1 1 85 85 LYS H H 85 8.462 8.462 8.407 0.055 17604 6232 1 10 . 1 1 86 86 PRO C C 86 179.959 179.959 179.208 0.751 17604 6233 1 10 . 1 1 87 87 VAL N N 87 115.566 115.566 118.706 -3.140 17604 6234 1 10 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.766 -0.022 17604 6235 1 10 . 1 1 87 87 VAL C C 87 178.545 178.545 178.287 0.258 17604 6236 1 10 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.308 -0.804 17604 6237 1 10 . 1 1 87 87 VAL H H 87 6.893 6.893 7.288 -0.395 17604 6238 1 10 . 1 1 88 88 TYR N N 88 122.544 122.544 121.263 1.281 17604 6239 1 10 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.137 -0.238 17604 6240 1 10 . 1 1 88 88 TYR C C 88 177.722 177.722 178.195 -0.473 17604 6241 1 10 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.990 0.871 17604 6242 1 10 . 1 1 88 88 TYR H H 88 8.457 8.457 8.712 -0.255 17604 6243 1 10 . 1 1 89 89 ASP N N 89 117.217 117.217 117.608 -0.391 17604 6244 1 10 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.359 -0.038 17604 6245 1 10 . 1 1 89 89 ASP C C 89 177.849 177.849 178.430 -0.581 17604 6246 1 10 . 1 1 89 89 ASP H H 89 9.103 9.103 8.925 0.178 17604 6247 1 10 . 1 1 90 90 SER N N 90 113.279 113.279 114.057 -0.778 17604 6248 1 10 . 1 1 90 90 SER HA H 90 4.424 4.424 4.340 0.084 17604 6249 1 10 . 1 1 90 90 SER C C 90 174.362 174.362 175.026 -0.664 17604 6250 1 10 . 1 1 90 90 SER CA C 90 59.655 59.655 59.555 0.100 17604 6251 1 10 . 1 1 90 90 SER H H 90 7.365 7.365 7.644 -0.279 17604 6252 1 10 . 1 1 91 91 LEU N N 91 123.395 123.395 123.684 -0.289 17604 6253 1 10 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.511 -0.087 17604 6254 1 10 . 1 1 91 91 LEU C C 91 176.268 176.268 176.805 -0.537 17604 6255 1 10 . 1 1 91 91 LEU H H 91 7.458 7.458 7.359 0.099 17604 6256 1 10 . 1 1 92 92 ASP N N 92 115.456 115.456 122.015 -6.559 17604 6257 1 10 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.480 0.143 17604 6258 1 10 . 1 1 92 92 ASP C C 92 175.560 175.560 176.713 -1.153 17604 6259 1 10 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.968 -1.792 17604 6260 1 10 . 1 1 92 92 ASP H H 92 7.401 7.401 8.455 -1.054 17604 6261 1 10 . 1 1 93 93 ALA N N 93 119.761 119.761 122.082 -2.321 17604 6262 1 10 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.043 -0.246 17604 6263 1 10 . 1 1 93 93 ALA C C 93 179.896 179.896 179.750 0.146 17604 6264 1 10 . 1 1 93 93 ALA H H 93 8.687 8.687 8.538 0.149 17604 6265 1 10 . 1 1 94 94 VAL N N 94 118.785 118.785 118.185 0.600 17604 6266 1 10 . 1 1 94 94 VAL C C 94 177.307 177.307 177.853 -0.546 17604 6267 1 10 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.782 0.163 17604 6268 1 10 . 1 1 94 94 VAL H H 94 7.822 7.822 7.585 0.237 17604 6269 1 10 . 1 1 95 95 ARG N N 95 119.046 119.046 118.648 0.398 17604 6270 1 10 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.658 -0.079 17604 6271 1 10 . 1 1 95 95 ARG C C 95 178.424 178.424 178.731 -0.307 17604 6272 1 10 . 1 1 95 95 ARG H H 95 7.766 7.766 8.086 -0.320 17604 6273 1 10 . 1 1 96 96 ARG N N 96 118.034 118.034 119.582 -1.548 17604 6274 1 10 . 1 1 96 96 ARG C C 96 177.930 177.930 178.397 -0.467 17604 6275 1 10 . 1 1 96 96 ARG H H 96 8.629 8.629 8.393 0.236 17604 6276 1 10 . 1 1 97 97 ALA N N 97 119.949 119.949 121.344 -1.395 17604 6277 1 10 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.008 0.060 17604 6278 1 10 . 1 1 97 97 ALA C C 97 178.702 178.702 178.904 -0.202 17604 6279 1 10 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.127 0.241 17604 6280 1 10 . 1 1 97 97 ALA H H 97 7.028 7.028 7.452 -0.424 17604 6281 1 10 . 1 1 98 98 ALA N N 98 118.852 118.852 121.232 -2.380 17604 6282 1 10 . 1 1 98 98 ALA C C 98 177.525 177.525 179.159 -1.634 17604 6283 1 10 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.509 0.813 17604 6284 1 10 . 1 1 98 98 ALA H H 98 7.200 7.200 7.260 -0.060 17604 6285 1 10 . 1 1 99 99 ALA N N 99 119.728 119.728 121.654 -1.926 17604 6286 1 10 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.092 -0.558 17604 6287 1 10 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.130 0.466 17604 6288 1 10 . 1 1 99 99 ALA H H 99 7.795 7.795 7.664 0.131 17604 6289 1 10 . 1 1 100 100 ILE N N 100 116.243 116.243 118.263 -2.020 17604 6290 1 10 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.687 -0.236 17604 6291 1 10 . 1 1 100 100 ILE C C 100 176.994 176.994 178.182 -1.188 17604 6292 1 10 . 1 1 100 100 ILE H H 100 8.093 8.093 8.257 -0.164 17604 6293 1 10 . 1 1 101 101 ASN N N 101 116.433 116.433 117.621 -1.188 17604 6294 1 10 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.549 -0.291 17604 6295 1 10 . 1 1 101 101 ASN C C 101 177.449 177.449 177.853 -0.404 17604 6296 1 10 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.611 1.215 17604 6297 1 10 . 1 1 101 101 ASN H H 101 8.097 8.097 8.173 -0.076 17604 6298 1 10 . 1 1 102 102 MET N N 102 113.936 113.936 119.546 -5.610 17604 6299 1 10 . 1 1 102 102 MET HA H 102 3.657 3.657 4.089 -0.432 17604 6300 1 10 . 1 1 102 102 MET CA C 102 61.050 61.050 57.197 3.853 17604 6301 1 10 . 1 1 102 102 MET H H 102 7.719 7.719 7.995 -0.276 17604 6302 1 10 . 1 1 103 103 VAL N N 103 105.507 105.507 110.796 -5.289 17604 6303 1 10 . 1 1 103 103 VAL C C 103 175.510 175.510 175.420 0.090 17604 6304 1 10 . 1 1 103 103 VAL CA C 103 61.665 61.665 59.968 1.697 17604 6305 1 10 . 1 1 103 103 VAL H H 103 7.320 7.320 7.321 -0.001 17604 6306 1 10 . 1 1 104 104 PHE N N 104 126.466 126.466 124.268 2.198 17604 6307 1 10 . 1 1 104 104 PHE C C 104 176.939 176.939 174.874 2.065 17604 6308 1 10 . 1 1 104 104 PHE H H 104 7.877 7.877 7.527 0.350 17604 6309 1 10 . 1 1 105 105 GLN N N 105 119.920 119.920 118.739 1.181 17604 6310 1 10 . 1 1 105 105 GLN C C 105 174.943 174.943 174.564 0.379 17604 6311 1 10 . 1 1 105 105 GLN H H 105 8.540 8.540 7.911 0.629 17604 6312 1 10 . 1 1 106 106 MET N N 106 117.242 117.242 119.574 -2.332 17604 6313 1 10 . 1 1 106 106 MET HA H 106 4.146 4.146 4.269 -0.123 17604 6314 1 10 . 1 1 106 106 MET C C 106 177.126 177.126 176.504 0.622 17604 6315 1 10 . 1 1 106 106 MET CA C 106 54.786 54.786 55.563 -0.777 17604 6316 1 10 . 1 1 106 106 MET H H 106 8.869 8.869 7.659 1.210 17604 6317 1 10 . 1 1 107 107 GLY N N 107 107.963 107.963 113.587 -5.624 17604 6318 1 10 . 1 1 107 107 GLY C C 107 174.858 174.858 174.892 -0.034 17604 6319 1 10 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.632 1.466 17604 6320 1 10 . 1 1 107 107 GLY H H 107 7.819 7.819 8.146 -0.327 17604 6321 1 10 . 1 1 108 108 GLU N N 108 122.988 122.988 122.464 0.524 17604 6322 1 10 . 1 1 108 108 GLU C C 108 179.500 179.500 178.492 1.008 17604 6323 1 10 . 1 1 108 108 GLU H H 108 8.778 8.778 8.830 -0.052 17604 6324 1 10 . 1 1 109 109 THR N N 109 112.024 112.024 111.256 0.768 17604 6325 1 10 . 1 1 109 109 THR HA H 109 4.193 4.193 4.140 0.053 17604 6326 1 10 . 1 1 109 109 THR C C 109 178.149 178.149 176.773 1.376 17604 6327 1 10 . 1 1 109 109 THR CA C 109 65.018 65.018 65.560 -0.542 17604 6328 1 10 . 1 1 109 109 THR H H 109 8.617 8.617 8.311 0.306 17604 6329 1 10 . 1 1 110 110 GLY N N 110 116.155 116.155 109.541 6.614 17604 6330 1 10 . 1 1 110 110 GLY C C 110 175.727 175.727 175.682 0.045 17604 6331 1 10 . 1 1 110 110 GLY H H 110 8.631 8.631 7.667 0.964 17604 6332 1 10 . 1 1 111 111 VAL N N 111 120.428 120.428 123.272 -2.844 17604 6333 1 10 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.676 -0.040 17604 6334 1 10 . 1 1 111 111 VAL C C 111 179.055 179.055 177.705 1.350 17604 6335 1 10 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.427 0.701 17604 6336 1 10 . 1 1 111 111 VAL H H 111 8.073 8.073 7.772 0.301 17604 6337 1 10 . 1 1 112 112 ALA N N 112 124.050 124.050 122.022 2.028 17604 6338 1 10 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.027 0.188 17604 6339 1 10 . 1 1 112 112 ALA C C 112 180.059 180.059 179.281 0.778 17604 6340 1 10 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.274 0.146 17604 6341 1 10 . 1 1 112 112 ALA H H 112 8.297 8.297 8.403 -0.106 17604 6342 1 10 . 1 1 113 113 GLY N N 113 105.820 105.820 106.700 -0.880 17604 6343 1 10 . 1 1 113 113 GLY C C 113 175.656 175.656 176.004 -0.348 17604 6344 1 10 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.617 0.401 17604 6345 1 10 . 1 1 113 113 GLY H H 113 8.218 8.218 7.664 0.554 17604 6346 1 10 . 1 1 114 114 PHE N N 114 122.441 122.441 122.473 -0.032 17604 6347 1 10 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.251 -0.043 17604 6348 1 10 . 1 1 114 114 PHE C C 114 177.316 177.316 177.866 -0.550 17604 6349 1 10 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.545 -0.671 17604 6350 1 10 . 1 1 114 114 PHE H H 114 8.111 8.111 8.333 -0.222 17604 6351 1 10 . 1 1 115 115 THR N N 115 114.602 114.602 114.987 -0.385 17604 6352 1 10 . 1 1 115 115 THR C C 115 176.611 176.611 175.627 0.984 17604 6353 1 10 . 1 1 115 115 THR CA C 115 66.636 66.636 66.462 0.174 17604 6354 1 10 . 1 1 115 115 THR H H 115 8.378 8.378 8.292 0.086 17604 6355 1 10 . 1 1 116 116 ASN N N 116 119.071 119.071 117.308 1.763 17604 6356 1 10 . 1 1 116 116 ASN H H 116 8.276 8.276 7.700 0.576 17604 6357 1 10 . 1 1 117 117 SER C C 117 174.833 174.833 174.979 -0.146 17604 6358 1 10 . 1 1 118 118 LEU N N 118 121.114 121.114 123.337 -2.223 17604 6359 1 10 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.514 0.658 17604 6360 1 10 . 1 1 118 118 LEU C C 118 177.954 177.954 178.063 -0.109 17604 6361 1 10 . 1 1 118 118 LEU H H 118 7.336 7.336 7.361 -0.025 17604 6362 1 10 . 1 1 119 119 ARG N N 119 117.315 117.315 118.214 -0.899 17604 6363 1 10 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.925 0.126 17604 6364 1 10 . 1 1 119 119 ARG C C 119 178.720 178.720 178.162 0.558 17604 6365 1 10 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.368 -0.747 17604 6366 1 10 . 1 1 119 119 ARG H H 119 8.329 8.329 8.153 0.176 17604 6367 1 10 . 1 1 120 120 MET N N 120 115.507 115.507 117.820 -2.313 17604 6368 1 10 . 1 1 120 120 MET HA H 120 3.969 3.969 4.123 -0.154 17604 6369 1 10 . 1 1 120 120 MET C C 120 178.161 178.161 178.723 -0.562 17604 6370 1 10 . 1 1 120 120 MET CA C 120 59.029 59.029 57.702 1.327 17604 6371 1 10 . 1 1 120 120 MET H H 120 7.408 7.408 7.958 -0.550 17604 6372 1 10 . 1 1 121 121 LEU N N 121 117.639 117.639 119.169 -1.530 17604 6373 1 10 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.945 -0.092 17604 6374 1 10 . 1 1 121 121 LEU C C 121 179.852 179.852 179.713 0.139 17604 6375 1 10 . 1 1 121 121 LEU H H 121 7.681 7.681 8.472 -0.791 17604 6376 1 10 . 1 1 122 122 GLN N N 122 120.423 120.423 119.623 0.800 17604 6377 1 10 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.028 -0.083 17604 6378 1 10 . 1 1 122 122 GLN C C 122 176.976 176.976 177.809 -0.833 17604 6379 1 10 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.224 1.166 17604 6380 1 10 . 1 1 122 122 GLN H H 122 8.689 8.689 8.193 0.496 17604 6381 1 10 . 1 1 123 123 GLN N N 123 113.631 113.631 115.619 -1.988 17604 6382 1 10 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.211 -0.139 17604 6383 1 10 . 1 1 123 123 GLN C C 123 174.455 174.455 175.085 -0.630 17604 6384 1 10 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.571 -0.391 17604 6385 1 10 . 1 1 123 123 GLN H H 123 7.251 7.251 7.543 -0.292 17604 6386 1 10 . 1 1 124 124 LYS N N 124 114.745 114.745 114.460 0.285 17604 6387 1 10 . 1 1 124 124 LYS C C 124 174.910 174.910 175.152 -0.242 17604 6388 1 10 . 1 1 124 124 LYS H H 124 7.291 7.291 7.382 -0.091 17604 6389 1 10 . 1 1 125 125 ARG N N 125 119.533 119.533 118.656 0.877 17604 6390 1 10 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 6391 1 10 . 1 1 125 125 ARG C C 125 177.182 177.182 176.349 0.833 17604 6392 1 10 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.536 -0.350 17604 6393 1 10 . 1 1 125 125 ARG H H 125 7.715 7.715 7.872 -0.157 17604 6394 1 10 . 1 1 126 126 TRP N N 126 119.232 119.232 123.550 -4.318 17604 6395 1 10 . 1 1 126 126 TRP C C 126 178.891 178.891 177.722 1.169 17604 6396 1 10 . 1 1 126 126 TRP H H 126 6.888 6.888 7.443 -0.555 17604 6397 1 10 . 1 1 127 127 ASP N N 127 116.481 116.481 117.735 -1.254 17604 6398 1 10 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.411 0.005 17604 6399 1 10 . 1 1 127 127 ASP C C 127 178.854 178.854 178.526 0.328 17604 6400 1 10 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.995 -0.305 17604 6401 1 10 . 1 1 127 127 ASP H H 127 8.548 8.548 8.864 -0.316 17604 6402 1 10 . 1 1 128 128 GLU N N 128 120.565 120.565 120.360 0.205 17604 6403 1 10 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.027 -0.074 17604 6404 1 10 . 1 1 128 128 GLU C C 128 179.945 179.945 178.226 1.719 17604 6405 1 10 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.099 0.457 17604 6406 1 10 . 1 1 128 128 GLU H H 128 8.311 8.311 8.367 -0.056 17604 6407 1 10 . 1 1 129 129 ALA N N 129 122.262 122.262 122.356 -0.094 17604 6408 1 10 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.911 0.097 17604 6409 1 10 . 1 1 129 129 ALA C C 129 178.673 178.673 179.358 -0.685 17604 6410 1 10 . 1 1 129 129 ALA H H 129 8.630 8.630 8.583 0.047 17604 6411 1 10 . 1 1 130 130 ALA N N 130 119.515 119.515 121.227 -1.712 17604 6412 1 10 . 1 1 130 130 ALA C C 130 179.789 179.789 179.633 0.156 17604 6413 1 10 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.186 0.505 17604 6414 1 10 . 1 1 130 130 ALA H H 130 8.263 8.263 8.074 0.189 17604 6415 1 10 . 1 1 131 131 VAL N N 131 117.584 117.584 118.594 -1.010 17604 6416 1 10 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.425 0.154 17604 6417 1 10 . 1 1 131 131 VAL C C 131 178.341 178.341 178.269 0.072 17604 6418 1 10 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.618 -0.496 17604 6419 1 10 . 1 1 131 131 VAL H H 131 7.883 7.883 8.197 -0.314 17604 6420 1 10 . 1 1 132 132 ASN N N 132 118.267 118.267 117.867 0.400 17604 6421 1 10 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.489 -0.161 17604 6422 1 10 . 1 1 132 132 ASN C C 132 178.969 178.969 178.609 0.360 17604 6423 1 10 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.755 1.071 17604 6424 1 10 . 1 1 133 133 LEU N N 133 121.157 121.157 121.058 0.099 17604 6425 1 10 . 1 1 133 133 LEU C C 133 179.658 179.658 178.733 0.925 17604 6426 1 10 . 1 1 133 133 LEU H H 133 8.868 8.868 8.350 0.518 17604 6427 1 10 . 1 1 134 134 ALA N N 134 121.551 121.551 118.423 3.128 17604 6428 1 10 . 1 1 134 134 ALA C C 134 177.027 177.027 177.383 -0.356 17604 6429 1 10 . 1 1 134 134 ALA H H 134 7.720 7.720 7.879 -0.159 17604 6430 1 10 . 1 1 135 135 LYS N N 135 115.144 115.144 117.498 -2.354 17604 6431 1 10 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.342 0.065 17604 6432 1 10 . 1 1 135 135 LYS C C 135 176.809 176.809 176.765 0.044 17604 6433 1 10 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.053 -0.141 17604 6434 1 10 . 1 1 135 135 LYS H H 135 7.276 7.276 7.561 -0.285 17604 6435 1 10 . 1 1 136 136 SER N N 136 115.694 115.694 115.092 0.602 17604 6436 1 10 . 1 1 136 136 SER HA H 136 4.427 4.427 4.528 -0.101 17604 6437 1 10 . 1 1 136 136 SER C C 136 174.351 174.351 175.373 -1.022 17604 6438 1 10 . 1 1 136 136 SER CA C 136 58.922 58.922 57.899 1.023 17604 6439 1 10 . 1 1 136 136 SER H H 136 7.550 7.550 7.671 -0.121 17604 6440 1 10 . 1 1 137 137 ARG N N 137 122.410 122.410 121.866 0.544 17604 6441 1 10 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.166 0.082 17604 6442 1 10 . 1 1 137 137 ARG C C 137 178.462 178.462 178.222 0.240 17604 6443 1 10 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.774 -1.207 17604 6444 1 10 . 1 1 137 137 ARG H H 137 8.694 8.694 9.108 -0.414 17604 6445 1 10 . 1 1 138 138 TRP N N 138 119.884 119.884 121.827 -1.943 17604 6446 1 10 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.366 -0.184 17604 6447 1 10 . 1 1 138 138 TRP C C 138 175.710 175.710 177.442 -1.732 17604 6448 1 10 . 1 1 138 138 TRP CA C 138 62.100 62.100 59.941 2.159 17604 6449 1 10 . 1 1 138 138 TRP H H 138 8.476 8.476 8.266 0.210 17604 6450 1 10 . 1 1 139 139 TYR N N 139 118.715 118.715 120.518 -1.803 17604 6451 1 10 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.874 -0.874 17604 6452 1 10 . 1 1 139 139 TYR C C 139 175.701 175.701 177.564 -1.863 17604 6453 1 10 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.767 -1.571 17604 6454 1 10 . 1 1 139 139 TYR H H 139 7.851 7.851 7.750 0.101 17604 6455 1 10 . 1 1 140 140 ASN N N 140 111.811 111.811 116.441 -4.630 17604 6456 1 10 . 1 1 140 140 ASN C C 140 176.521 176.521 177.312 -0.791 17604 6457 1 10 . 1 1 141 141 GLN N N 141 117.421 117.421 117.096 0.325 17604 6458 1 10 . 1 1 141 141 GLN C C 141 176.598 176.598 176.425 0.173 17604 6459 1 10 . 1 1 141 141 GLN H H 141 7.779 7.779 7.774 0.005 17604 6460 1 10 . 1 1 142 142 THR N N 142 111.422 111.422 109.831 1.591 17604 6461 1 10 . 1 1 142 142 THR H H 142 7.046 7.046 7.593 -0.547 17604 6462 1 10 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.630 0.314 17604 6463 1 10 . 1 1 143 143 PRO C C 143 178.463 178.463 177.700 0.763 17604 6464 1 10 . 1 1 144 144 ASN N N 144 116.489 116.489 116.647 -0.158 17604 6465 1 10 . 1 1 144 144 ASN C C 144 177.480 177.480 177.484 -0.004 17604 6466 1 10 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.232 -0.128 17604 6467 1 10 . 1 1 144 144 ASN H H 144 8.194 8.194 8.582 -0.388 17604 6468 1 10 . 1 1 145 145 ARG N N 145 121.900 121.900 120.752 1.148 17604 6469 1 10 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.097 -0.195 17604 6470 1 10 . 1 1 145 145 ARG C C 145 176.937 176.937 178.426 -1.489 17604 6471 1 10 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.670 -2.109 17604 6472 1 10 . 1 1 145 145 ARG H H 145 7.854 7.854 7.994 -0.140 17604 6473 1 10 . 1 1 146 146 ALA N N 146 119.119 119.119 121.697 -2.578 17604 6474 1 10 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.317 -0.332 17604 6475 1 10 . 1 1 146 146 ALA C C 146 179.367 179.367 178.885 0.482 17604 6476 1 10 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.372 -0.086 17604 6477 1 10 . 1 1 146 146 ALA H H 146 8.439 8.439 8.457 -0.018 17604 6478 1 10 . 1 1 147 147 LYS N N 147 116.600 116.600 119.242 -2.642 17604 6479 1 10 . 1 1 147 147 LYS C C 147 180.052 180.052 178.973 1.079 17604 6480 1 10 . 1 1 147 147 LYS CA C 147 60.644 60.644 59.877 0.767 17604 6481 1 10 . 1 1 147 147 LYS H H 147 8.066 8.066 7.972 0.094 17604 6482 1 10 . 1 1 148 148 ARG N N 148 119.327 119.327 118.822 0.505 17604 6483 1 10 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.934 -0.160 17604 6484 1 10 . 1 1 148 148 ARG C C 148 180.211 180.211 178.975 1.236 17604 6485 1 10 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.379 1.037 17604 6486 1 10 . 1 1 148 148 ARG H H 148 7.489 7.489 7.835 -0.346 17604 6487 1 10 . 1 1 149 149 VAL N N 149 125.204 125.204 120.524 4.680 17604 6488 1 10 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.767 -0.378 17604 6489 1 10 . 1 1 149 149 VAL C C 149 178.523 178.523 178.287 0.236 17604 6490 1 10 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.603 1.692 17604 6491 1 10 . 1 1 149 149 VAL H H 149 8.876 8.876 7.754 1.122 17604 6492 1 10 . 1 1 150 150 ILE N N 150 121.036 121.036 120.940 0.096 17604 6493 1 10 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.922 -0.029 17604 6494 1 10 . 1 1 150 150 ILE C C 150 178.541 178.541 178.159 0.382 17604 6495 1 10 . 1 1 150 150 ILE H H 150 9.322 9.322 8.911 0.411 17604 6496 1 10 . 1 1 151 151 THR N N 151 117.932 117.932 116.802 1.130 17604 6497 1 10 . 1 1 151 151 THR C C 151 176.418 176.418 176.564 -0.146 17604 6498 1 10 . 1 1 151 151 THR CA C 151 67.495 67.495 67.650 -0.155 17604 6499 1 10 . 1 1 151 151 THR H H 151 8.382 8.382 8.532 -0.150 17604 6500 1 10 . 1 1 152 152 THR N N 152 121.769 121.769 119.760 2.009 17604 6501 1 10 . 1 1 152 152 THR HA H 152 4.117 4.117 4.196 -0.079 17604 6502 1 10 . 1 1 152 152 THR C C 152 176.328 176.328 176.309 0.019 17604 6503 1 10 . 1 1 152 152 THR CA C 152 67.646 67.646 66.884 0.762 17604 6504 1 10 . 1 1 152 152 THR H H 152 7.982 7.982 7.774 0.208 17604 6505 1 10 . 1 1 153 153 PHE N N 153 120.509 120.509 121.290 -0.781 17604 6506 1 10 . 1 1 153 153 PHE C C 153 177.848 177.848 177.428 0.420 17604 6507 1 10 . 1 1 153 153 PHE H H 153 8.410 8.410 8.258 0.152 17604 6508 1 10 . 1 1 154 154 ARG N N 154 117.947 117.947 119.591 -1.644 17604 6509 1 10 . 1 1 154 154 ARG C C 154 178.389 178.389 178.506 -0.117 17604 6510 1 10 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.928 -0.156 17604 6511 1 10 . 1 1 154 154 ARG H H 154 8.733 8.733 8.432 0.301 17604 6512 1 10 . 1 1 155 155 THR N N 155 105.055 105.055 108.822 -3.767 17604 6513 1 10 . 1 1 155 155 THR HA H 155 4.235 4.235 4.302 -0.067 17604 6514 1 10 . 1 1 155 155 THR C C 155 176.705 176.705 175.752 0.953 17604 6515 1 10 . 1 1 155 155 THR CA C 155 62.225 62.225 62.123 0.102 17604 6516 1 10 . 1 1 155 155 THR H H 155 8.219 8.219 7.914 0.305 17604 6517 1 10 . 1 1 156 156 GLY N N 156 111.712 111.712 112.333 -0.621 17604 6518 1 10 . 1 1 156 156 GLY C C 156 172.901 172.901 174.180 -1.279 17604 6519 1 10 . 1 1 156 156 GLY H H 156 8.500 8.500 8.024 0.476 17604 6520 1 10 . 1 1 157 157 THR N N 157 108.367 108.367 110.549 -2.182 17604 6521 1 10 . 1 1 157 157 THR HA H 157 4.646 4.646 4.378 0.268 17604 6522 1 10 . 1 1 157 157 THR C C 157 174.042 174.042 173.035 1.007 17604 6523 1 10 . 1 1 157 157 THR CA C 157 58.745 58.745 59.388 -0.643 17604 6524 1 10 . 1 1 157 157 THR H H 157 7.568 7.568 7.258 0.310 17604 6525 1 10 . 1 1 158 158 TRP N N 158 117.864 117.864 119.725 -1.861 17604 6526 1 10 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.937 0.087 17604 6527 1 10 . 1 1 158 158 TRP C C 158 178.088 178.088 176.870 1.218 17604 6528 1 10 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.471 -0.333 17604 6529 1 10 . 1 1 158 158 TRP H H 158 8.512 8.512 8.605 -0.093 17604 6530 1 10 . 1 1 159 159 ASP N N 159 119.522 119.522 122.142 -2.620 17604 6531 1 10 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.458 -0.262 17604 6532 1 10 . 1 1 159 159 ASP C C 159 177.430 177.430 178.097 -0.667 17604 6533 1 10 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.615 1.043 17604 6534 1 10 . 1 1 159 159 ASP H H 159 7.972 7.972 7.844 0.128 17604 6535 1 10 . 1 1 160 160 ALA N N 160 119.939 119.939 121.161 -1.222 17604 6536 1 10 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.175 -0.002 17604 6537 1 10 . 1 1 160 160 ALA C C 160 177.293 177.293 177.922 -0.629 17604 6538 1 10 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.658 -0.078 17604 6539 1 10 . 1 1 160 160 ALA H H 160 9.143 9.143 8.338 0.805 17604 6540 1 10 . 1 1 161 161 TYR N N 161 113.613 113.613 113.298 0.315 17604 6541 1 10 . 1 1 161 161 TYR C C 161 175.078 175.078 177.430 -2.352 17604 6542 1 10 . 1 1 161 161 TYR H H 161 8.071 8.071 8.012 0.059 17604 6543 1 10 . 1 1 162 162 LYS N N 162 119.559 119.559 120.353 -0.794 17604 6544 1 10 . 1 1 162 162 LYS C C 162 176.124 176.124 177.876 -1.752 17604 6545 1 10 . 1 1 162 162 LYS H H 162 7.266 7.266 7.666 -0.400 17604 6546 1 10 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 6547 1 10 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.680 -0.153 17604 6548 1 10 . 1 1 163 163 ASN C C 163 173.671 173.671 175.323 -1.652 17604 6549 1 10 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.504 0.537 17604 6550 1 10 . 1 1 163 163 ASN H H 163 8.629 8.629 8.405 0.224 17604 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 157 2.328 0.483 2.284 17604 2 1 1 "Average Difference" HA 108 0.265 0.015 0.266 17604 3 1 1 "Average Difference" C 154 0.948 0.091 0.947 17604 4 1 1 "Average Difference" CA 93 0.979 -0.147 0.973 17604 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17604 6 1 1 "Average Difference" HN 152 0.424 -0.010 0.425 17604 7 1 2 "Average Difference" N 157 2.401 0.555 2.344 17604 8 1 2 "Average Difference" HA 108 0.250 0.018 0.251 17604 9 1 2 "Average Difference" C 154 0.949 0.082 0.948 17604 10 1 2 "Average Difference" CA 93 0.910 -0.102 0.909 17604 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17604 12 1 2 "Average Difference" HN 152 0.431 -0.025 0.432 17604 13 1 3 "Average Difference" N 157 2.343 0.591 2.275 17604 14 1 3 "Average Difference" HA 108 0.257 0.027 0.257 17604 15 1 3 "Average Difference" C 154 0.923 0.087 0.922 17604 16 1 3 "Average Difference" CA 93 1.053 -0.126 1.051 17604 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17604 18 1 3 "Average Difference" HN 152 0.410 -0.017 0.411 17604 19 1 4 "Average Difference" N 157 2.391 0.683 2.299 17604 20 1 4 "Average Difference" HA 108 0.255 0.030 0.255 17604 21 1 4 "Average Difference" C 154 0.940 0.074 0.940 17604 22 1 4 "Average Difference" CA 93 1.035 -0.099 1.036 17604 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17604 24 1 4 "Average Difference" HN 152 0.399 -0.007 0.400 17604 25 1 5 "Average Difference" N 157 2.339 0.529 2.286 17604 26 1 5 "Average Difference" HA 108 0.255 0.038 0.253 17604 27 1 5 "Average Difference" C 154 0.947 0.081 0.947 17604 28 1 5 "Average Difference" CA 93 1.082 -0.197 1.070 17604 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17604 30 1 5 "Average Difference" HN 152 0.419 -0.013 0.420 17604 31 1 6 "Average Difference" N 157 2.475 0.560 2.418 17604 32 1 6 "Average Difference" HA 108 0.251 0.007 0.252 17604 33 1 6 "Average Difference" C 154 0.954 0.092 0.953 17604 34 1 6 "Average Difference" CA 93 0.913 -0.049 0.917 17604 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17604 36 1 6 "Average Difference" HN 152 0.399 0.004 0.400 17604 37 1 7 "Average Difference" N 157 2.496 0.607 2.429 17604 38 1 7 "Average Difference" HA 108 0.254 0.027 0.254 17604 39 1 7 "Average Difference" C 154 0.943 0.094 0.941 17604 40 1 7 "Average Difference" CA 93 0.896 -0.049 0.899 17604 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17604 42 1 7 "Average Difference" HN 152 0.431 -0.011 0.432 17604 43 1 8 "Average Difference" N 157 2.359 0.531 2.305 17604 44 1 8 "Average Difference" HA 108 0.311 0.016 0.312 17604 45 1 8 "Average Difference" C 154 0.947 0.087 0.946 17604 46 1 8 "Average Difference" CA 93 1.052 -0.128 1.050 17604 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17604 48 1 8 "Average Difference" HN 152 0.409 -0.009 0.410 17604 49 1 9 "Average Difference" N 157 2.398 0.581 2.335 17604 50 1 9 "Average Difference" HA 108 0.245 0.035 0.243 17604 51 1 9 "Average Difference" C 154 0.978 0.043 0.980 17604 52 1 9 "Average Difference" CA 93 1.049 -0.141 1.045 17604 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17604 54 1 9 "Average Difference" HN 152 0.399 -0.012 0.400 17604 55 1 10 "Average Difference" N 157 2.407 0.572 2.346 17604 56 1 10 "Average Difference" HA 108 0.245 0.020 0.245 17604 57 1 10 "Average Difference" C 154 0.944 0.089 0.942 17604 58 1 10 "Average Difference" CA 93 0.980 -0.110 0.979 17604 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17604 60 1 10 "Average Difference" HN 152 0.416 -0.010 0.417 17604 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 17604 _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 ASN N N 2 115.717 115.717 119.746 -4.029 17604 2 1 . 1 1 2 2 ASN HA H 2 4.511 4.511 4.577 -0.066 17604 3 1 . 1 1 2 2 ASN CA C 2 52.425 52.425 52.060 0.365 17604 4 1 . 1 1 2 2 ASN H H 2 6.884 6.884 7.735 -0.851 17604 5 1 . 1 1 3 3 ILE N N 3 116.556 116.556 119.954 -3.398 17604 6 1 . 1 1 3 3 ILE C C 3 174.025 174.025 176.430 -2.405 17604 7 1 . 1 1 3 3 ILE H H 3 8.891 8.891 8.494 0.396 17604 8 1 . 1 1 4 4 PHE N N 4 121.687 121.687 118.822 2.865 17604 9 1 . 1 1 4 4 PHE HA H 4 4.078 4.078 4.198 -0.120 17604 10 1 . 1 1 4 4 PHE C C 4 177.177 177.177 178.083 -0.906 17604 11 1 . 1 1 4 4 PHE CA C 4 60.599 60.599 62.285 -1.686 17604 12 1 . 1 1 4 4 PHE H H 4 7.295 7.295 8.033 -0.738 17604 13 1 . 1 1 5 5 GLU N N 5 118.203 118.203 119.526 -1.323 17604 14 1 . 1 1 5 5 GLU HA H 5 3.841 3.841 3.915 -0.074 17604 15 1 . 1 1 5 5 GLU C C 5 178.279 178.279 179.049 -0.770 17604 16 1 . 1 1 5 5 GLU CA C 5 58.776 58.776 59.149 -0.373 17604 17 1 . 1 1 5 5 GLU H H 5 7.886 7.886 8.602 -0.716 17604 18 1 . 1 1 6 6 MET N N 6 118.175 118.175 120.941 -2.766 17604 19 1 . 1 1 6 6 MET HA H 6 3.243 3.243 3.791 -0.548 17604 20 1 . 1 1 6 6 MET C C 6 177.116 177.116 178.064 -0.948 17604 21 1 . 1 1 6 6 MET CA C 6 58.652 58.652 59.259 -0.607 17604 22 1 . 1 1 7 7 LEU N N 7 116.108 116.108 118.398 -2.290 17604 23 1 . 1 1 7 7 LEU HA H 7 3.954 3.954 3.945 0.009 17604 24 1 . 1 1 7 7 LEU C C 7 178.529 178.529 178.794 -0.265 17604 25 1 . 1 1 7 7 LEU H H 7 8.029 8.029 8.226 -0.197 17604 26 1 . 1 1 8 8 ARG N N 8 120.650 120.650 120.036 0.614 17604 27 1 . 1 1 8 8 ARG HA H 8 3.563 3.563 3.844 -0.281 17604 28 1 . 1 1 8 8 ARG C C 8 180.117 180.117 178.809 1.308 17604 29 1 . 1 1 8 8 ARG H H 8 8.121 8.121 8.128 -0.007 17604 30 1 . 1 1 9 9 ILE N N 9 120.885 120.885 118.669 2.216 17604 31 1 . 1 1 9 9 ILE HA H 9 3.487 3.487 3.775 -0.288 17604 32 1 . 1 1 9 9 ILE C C 9 177.395 177.395 177.322 0.073 17604 33 1 . 1 1 9 9 ILE H H 9 7.619 7.619 7.961 -0.342 17604 34 1 . 1 1 10 10 ASP N N 10 117.684 117.684 117.816 -0.132 17604 35 1 . 1 1 10 10 ASP C C 10 177.857 177.857 178.253 -0.396 17604 36 1 . 1 1 10 10 ASP CA C 10 58.262 58.262 56.968 1.293 17604 37 1 . 1 1 10 10 ASP H H 10 8.012 8.012 7.986 0.026 17604 38 1 . 1 1 11 11 GLU N N 11 115.103 115.103 115.939 -0.835 17604 39 1 . 1 1 11 11 GLU HA H 11 4.548 4.548 4.567 -0.019 17604 40 1 . 1 1 11 11 GLU C C 11 178.204 178.204 177.415 0.789 17604 41 1 . 1 1 11 11 GLU CA C 11 55.407 55.407 55.961 -0.554 17604 42 1 . 1 1 11 11 GLU H H 11 8.837 8.837 8.302 0.535 17604 43 1 . 1 1 12 12 GLY N N 12 109.255 109.255 108.584 0.671 17604 44 1 . 1 1 12 12 GLY C C 12 170.041 170.041 171.918 -1.877 17604 45 1 . 1 1 13 13 LEU N N 13 117.280 117.280 121.382 -4.102 17604 46 1 . 1 1 13 13 LEU C C 13 175.609 175.609 175.151 0.458 17604 47 1 . 1 1 13 13 LEU H H 13 7.770 7.770 8.208 -0.438 17604 48 1 . 1 1 14 14 ARG N N 14 126.444 126.444 125.192 1.252 17604 49 1 . 1 1 14 14 ARG HA H 14 4.665 4.665 4.657 0.008 17604 50 1 . 1 1 14 14 ARG C C 14 175.900 175.900 175.857 0.043 17604 51 1 . 1 1 14 14 ARG CA C 14 54.091 54.091 54.894 -0.803 17604 52 1 . 1 1 14 14 ARG H H 14 8.272 8.272 8.240 0.032 17604 53 1 . 1 1 15 15 LEU N N 15 122.951 122.951 121.327 1.624 17604 54 1 . 1 1 15 15 LEU C C 15 173.723 173.723 176.046 -2.323 17604 55 1 . 1 1 15 15 LEU H H 15 8.806 8.806 8.649 0.157 17604 56 1 . 1 1 16 16 LYS N N 16 114.983 114.983 119.353 -4.370 17604 57 1 . 1 1 16 16 LYS HA H 16 5.421 5.421 5.259 0.162 17604 58 1 . 1 1 16 16 LYS C C 16 176.104 176.104 176.752 -0.648 17604 59 1 . 1 1 16 16 LYS CA C 16 53.588 53.588 54.201 -0.613 17604 60 1 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17604 61 1 . 1 1 17 17 ILE N N 17 120.664 120.664 126.322 -5.658 17604 62 1 . 1 1 17 17 ILE HA H 17 4.133 4.133 4.290 -0.157 17604 63 1 . 1 1 17 17 ILE C C 17 174.773 174.773 176.490 -1.717 17604 64 1 . 1 1 17 17 ILE H H 17 7.556 7.556 8.257 -0.701 17604 65 1 . 1 1 18 18 TYR N N 18 127.713 127.713 125.978 1.735 17604 66 1 . 1 1 18 18 TYR HA H 18 5.114 5.114 5.116 -0.002 17604 67 1 . 1 1 18 18 TYR C C 18 172.709 172.709 173.525 -0.816 17604 68 1 . 1 1 18 18 TYR CA C 18 55.288 55.288 55.293 -0.005 17604 69 1 . 1 1 18 18 TYR H H 18 9.391 9.391 9.090 0.301 17604 70 1 . 1 1 19 19 LYS N N 19 122.584 122.584 120.911 1.673 17604 71 1 . 1 1 19 19 LYS HA H 19 4.563 4.563 4.552 0.011 17604 72 1 . 1 1 19 19 LYS C C 19 176.060 176.060 176.222 -0.162 17604 73 1 . 1 1 19 19 LYS CA C 19 55.025 55.025 55.005 0.020 17604 74 1 . 1 1 19 19 LYS H H 19 8.342 8.342 8.413 -0.071 17604 75 1 . 1 1 20 20 ASP N N 20 124.864 124.864 124.491 0.373 17604 76 1 . 1 1 20 20 ASP HA H 20 4.571 4.571 4.752 -0.181 17604 77 1 . 1 1 20 20 ASP C C 20 178.088 178.088 178.291 -0.203 17604 78 1 . 1 1 20 20 ASP CA C 20 52.720 52.720 53.178 -0.458 17604 79 1 . 1 1 20 20 ASP H H 20 8.509 8.509 8.823 -0.314 17604 80 1 . 1 1 21 21 THR N N 21 110.253 110.253 109.477 0.776 17604 81 1 . 1 1 21 21 THR HA H 21 3.978 3.978 4.057 -0.079 17604 82 1 . 1 1 21 21 THR C C 21 175.847 175.847 175.721 0.126 17604 83 1 . 1 1 21 21 THR CA C 21 65.115 65.115 64.842 0.273 17604 84 1 . 1 1 21 21 THR H H 21 7.975 7.975 8.598 -0.623 17604 85 1 . 1 1 22 22 GLU N N 22 120.058 120.058 119.923 0.135 17604 86 1 . 1 1 22 22 GLU HA H 22 4.160 4.160 4.249 -0.089 17604 87 1 . 1 1 22 22 GLU C C 22 175.511 175.511 176.376 -0.865 17604 88 1 . 1 1 22 22 GLU CA C 22 55.972 55.972 55.810 0.162 17604 89 1 . 1 1 23 23 GLY N N 23 106.801 106.801 106.732 0.069 17604 90 1 . 1 1 23 23 GLY C C 23 173.498 173.498 174.042 -0.544 17604 91 1 . 1 1 23 23 GLY H H 23 7.831 7.831 7.819 0.012 17604 92 1 . 1 1 24 24 TYR N N 24 120.577 120.577 119.534 1.042 17604 93 1 . 1 1 24 24 TYR HA H 24 4.949 4.949 4.510 0.439 17604 94 1 . 1 1 24 24 TYR C C 24 177.646 177.646 175.793 1.853 17604 95 1 . 1 1 24 24 TYR CA C 24 54.705 54.705 56.459 -1.754 17604 96 1 . 1 1 24 24 TYR H H 24 8.190 8.190 8.074 0.116 17604 97 1 . 1 1 25 25 TYR N N 25 122.599 122.599 123.190 -0.591 17604 98 1 . 1 1 25 25 TYR HA H 25 4.893 4.893 4.889 0.004 17604 99 1 . 1 1 25 25 TYR C C 25 175.225 175.225 176.198 -0.973 17604 100 1 . 1 1 25 25 TYR CA C 25 59.831 59.831 60.010 -0.179 17604 101 1 . 1 1 25 25 TYR H H 25 8.730 8.730 8.880 -0.150 17604 102 1 . 1 1 26 26 THR N N 26 120.566 120.566 118.041 2.525 17604 103 1 . 1 1 26 26 THR C C 26 170.704 170.704 172.604 -1.900 17604 104 1 . 1 1 26 26 THR CA C 26 60.848 60.848 61.276 -0.428 17604 105 1 . 1 1 26 26 THR H H 26 9.394 9.394 9.065 0.329 17604 106 1 . 1 1 27 27 ILE N N 27 120.480 120.480 120.677 -0.197 17604 107 1 . 1 1 27 27 ILE HA H 27 4.635 4.635 4.515 0.120 17604 108 1 . 1 1 27 27 ILE C C 27 172.588 172.588 174.634 -2.046 17604 109 1 . 1 1 27 27 ILE H H 27 8.842 8.842 8.522 0.320 17604 110 1 . 1 1 28 28 GLY N N 28 112.034 112.034 112.806 -0.772 17604 111 1 . 1 1 28 28 GLY C C 28 174.725 174.725 174.197 0.528 17604 112 1 . 1 1 28 28 GLY H H 28 8.585 8.585 8.800 -0.215 17604 113 1 . 1 1 29 29 ILE N N 29 134.307 134.307 125.116 9.191 17604 114 1 . 1 1 29 29 ILE C C 29 176.641 176.641 176.629 0.012 17604 115 1 . 1 1 29 29 ILE H H 29 10.269 10.269 8.649 1.620 17604 116 1 . 1 1 30 30 GLY N N 30 107.697 107.697 112.470 -4.773 17604 117 1 . 1 1 30 30 GLY C C 30 173.103 173.103 174.235 -1.132 17604 118 1 . 1 1 30 30 GLY CA C 30 46.647 46.647 46.071 0.577 17604 119 1 . 1 1 30 30 GLY H H 30 8.159 8.159 8.395 -0.236 17604 120 1 . 1 1 31 31 HIS N N 31 115.580 115.580 120.096 -4.516 17604 121 1 . 1 1 31 31 HIS HA H 31 4.344 4.344 4.618 -0.274 17604 122 1 . 1 1 31 31 HIS C C 31 173.242 173.242 174.582 -1.340 17604 123 1 . 1 1 31 31 HIS CA C 31 56.657 56.657 54.820 1.837 17604 124 1 . 1 1 31 31 HIS H H 31 8.274 8.274 8.401 -0.127 17604 125 1 . 1 1 32 32 LEU N N 32 131.965 131.965 128.634 3.331 17604 126 1 . 1 1 32 32 LEU C C 32 176.441 176.441 175.652 0.789 17604 127 1 . 1 1 32 32 LEU H H 32 7.916 7.916 8.436 -0.520 17604 128 1 . 1 1 33 33 LEU N N 33 125.891 125.891 126.334 -0.443 17604 129 1 . 1 1 33 33 LEU HA H 33 4.497 4.497 4.359 0.138 17604 130 1 . 1 1 33 33 LEU C C 33 176.188 176.188 177.124 -0.936 17604 131 1 . 1 1 33 33 LEU H H 33 9.078 9.078 8.777 0.301 17604 132 1 . 1 1 34 34 THR N N 34 109.694 109.694 109.017 0.677 17604 133 1 . 1 1 34 34 THR HA H 34 4.465 4.465 4.389 0.076 17604 134 1 . 1 1 34 34 THR C C 34 171.627 171.627 172.300 -0.673 17604 135 1 . 1 1 34 34 THR CA C 34 60.050 60.050 61.361 -1.312 17604 136 1 . 1 1 34 34 THR H H 34 7.266 7.266 7.378 -0.112 17604 137 1 . 1 1 35 35 LYS N N 35 124.851 124.851 122.558 2.293 17604 138 1 . 1 1 35 35 LYS C C 35 176.730 176.730 176.755 -0.025 17604 139 1 . 1 1 35 35 LYS H H 35 8.583 8.583 8.280 0.303 17604 140 1 . 1 1 36 36 SER N N 36 119.457 119.457 117.694 1.763 17604 141 1 . 1 1 36 36 SER H H 36 8.748 8.748 7.805 0.943 17604 142 1 . 1 1 37 37 PRO HA H 37 4.885 4.885 4.580 0.305 17604 143 1 . 1 1 37 37 PRO C C 37 177.051 177.051 176.806 0.245 17604 144 1 . 1 1 37 37 PRO CA C 37 63.229 63.229 63.434 -0.204 17604 145 1 . 1 1 38 38 SER N N 38 116.302 116.302 116.101 0.201 17604 146 1 . 1 1 38 38 SER HA H 38 4.730 4.730 4.571 0.159 17604 147 1 . 1 1 38 38 SER C C 38 174.400 174.400 175.311 -0.911 17604 148 1 . 1 1 38 38 SER CA C 38 56.315 56.315 56.687 -0.372 17604 149 1 . 1 1 38 38 SER H H 38 8.230 8.230 7.750 0.480 17604 150 1 . 1 1 39 39 LEU N N 39 133.066 133.066 130.483 2.583 17604 151 1 . 1 1 39 39 LEU HA H 39 3.444 3.444 3.351 0.093 17604 152 1 . 1 1 39 39 LEU C C 39 178.462 178.462 177.569 0.893 17604 153 1 . 1 1 39 39 LEU H H 39 8.961 8.961 8.792 0.169 17604 154 1 . 1 1 40 40 ASN N N 40 116.781 116.781 117.514 -0.733 17604 155 1 . 1 1 40 40 ASN C C 40 178.279 178.279 177.434 0.845 17604 156 1 . 1 1 40 40 ASN H H 40 8.282 8.282 8.220 0.062 17604 157 1 . 1 1 41 41 ALA N N 41 123.917 123.917 122.976 0.941 17604 158 1 . 1 1 41 41 ALA HA H 41 4.213 4.213 3.996 0.217 17604 159 1 . 1 1 41 41 ALA C C 41 179.882 179.882 178.893 0.989 17604 160 1 . 1 1 41 41 ALA CA C 41 54.713 54.713 54.928 -0.215 17604 161 1 . 1 1 41 41 ALA H H 41 7.746 7.746 7.593 0.153 17604 162 1 . 1 1 42 42 ALA N N 42 120.972 120.972 121.297 -0.325 17604 163 1 . 1 1 42 42 ALA HA H 42 3.741 3.741 3.874 -0.133 17604 164 1 . 1 1 42 42 ALA C C 42 178.822 178.822 179.452 -0.630 17604 165 1 . 1 1 42 42 ALA CA C 42 55.433 55.433 55.104 0.329 17604 166 1 . 1 1 42 42 ALA H H 42 7.593 7.593 7.857 -0.264 17604 167 1 . 1 1 43 43 LYS N N 43 117.113 117.113 118.139 -1.026 17604 168 1 . 1 1 43 43 LYS C C 43 177.715 177.715 178.920 -1.205 17604 169 1 . 1 1 43 43 LYS H H 43 8.400 8.400 8.251 0.149 17604 170 1 . 1 1 44 44 SER N N 44 113.825 113.825 115.251 -1.426 17604 171 1 . 1 1 44 44 SER C C 44 177.955 177.955 176.607 1.348 17604 172 1 . 1 1 44 44 SER CA C 44 61.708 61.708 61.395 0.313 17604 173 1 . 1 1 44 44 SER H H 44 7.927 7.927 8.146 -0.219 17604 174 1 . 1 1 45 45 GLU N N 45 120.104 120.104 121.230 -1.126 17604 175 1 . 1 1 45 45 GLU HA H 45 4.121 4.121 4.042 0.079 17604 176 1 . 1 1 45 45 GLU C C 45 179.367 179.367 179.149 0.218 17604 177 1 . 1 1 45 45 GLU CA C 45 58.516 58.516 58.999 -0.483 17604 178 1 . 1 1 46 46 LEU N N 46 122.714 122.714 122.360 0.354 17604 179 1 . 1 1 46 46 LEU C C 46 177.304 177.304 178.306 -1.002 17604 180 1 . 1 1 46 46 LEU H H 46 8.304 8.304 8.317 -0.013 17604 181 1 . 1 1 47 47 ASP N N 47 120.220 120.220 119.874 0.346 17604 182 1 . 1 1 47 47 ASP C C 47 181.023 181.023 179.123 1.900 17604 183 1 . 1 1 47 47 ASP CA C 47 57.266 57.266 57.418 -0.152 17604 184 1 . 1 1 47 47 ASP H H 47 8.651 8.651 8.425 0.226 17604 185 1 . 1 1 48 48 LYS N N 48 120.884 120.884 120.011 0.873 17604 186 1 . 1 1 48 48 LYS HA H 48 4.010 4.010 4.062 -0.053 17604 187 1 . 1 1 48 48 LYS C C 48 178.238 178.238 178.304 -0.066 17604 188 1 . 1 1 48 48 LYS CA C 48 59.110 59.110 58.870 0.240 17604 189 1 . 1 1 48 48 LYS H H 48 7.794 7.794 7.931 -0.137 17604 190 1 . 1 1 49 49 ALA N N 49 121.076 121.076 121.938 -0.862 17604 191 1 . 1 1 49 49 ALA HA H 49 4.166 4.166 4.219 -0.053 17604 192 1 . 1 1 49 49 ALA C C 49 179.471 179.471 179.198 0.273 17604 193 1 . 1 1 49 49 ALA CA C 49 54.367 54.367 54.553 -0.186 17604 194 1 . 1 1 49 49 ALA H H 49 7.926 7.926 7.967 -0.041 17604 195 1 . 1 1 50 50 ILE N N 50 114.845 114.845 115.947 -1.102 17604 196 1 . 1 1 50 50 ILE HA H 50 4.077 4.077 4.049 0.028 17604 197 1 . 1 1 50 50 ILE C C 50 177.256 177.256 177.208 0.048 17604 198 1 . 1 1 50 50 ILE H H 50 8.379 8.379 7.712 0.667 17604 199 1 . 1 1 51 51 GLY N N 51 109.206 109.206 109.790 -0.585 17604 200 1 . 1 1 51 51 GLY C C 51 173.731 173.731 173.777 -0.046 17604 201 1 . 1 1 51 51 GLY H H 51 8.380 8.380 8.379 0.001 17604 202 1 . 1 1 52 52 ARG N N 52 115.489 115.489 116.553 -1.064 17604 203 1 . 1 1 52 52 ARG HA H 52 4.566 4.566 4.522 0.044 17604 204 1 . 1 1 52 52 ARG C C 52 172.318 172.318 173.393 -1.075 17604 205 1 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.024 17604 206 1 . 1 1 53 53 ASN N N 53 115.422 115.422 120.465 -5.043 17604 207 1 . 1 1 53 53 ASN C C 53 175.434 175.434 174.997 0.437 17604 208 1 . 1 1 53 53 ASN H H 53 8.275 8.275 8.686 -0.411 17604 209 1 . 1 1 54 54 THR N N 54 119.611 119.611 118.051 1.560 17604 210 1 . 1 1 54 54 THR HA H 54 4.303 4.303 4.497 -0.194 17604 211 1 . 1 1 54 54 THR C C 54 177.316 177.316 174.682 2.634 17604 212 1 . 1 1 54 54 THR CA C 54 63.742 63.742 60.886 2.856 17604 213 1 . 1 1 54 54 THR H H 54 9.079 9.079 8.770 0.309 17604 214 1 . 1 1 55 55 ASN N N 55 120.102 120.102 118.437 1.665 17604 215 1 . 1 1 55 55 ASN C C 55 175.771 175.771 175.671 0.100 17604 216 1 . 1 1 55 55 ASN H H 55 9.477 9.477 8.341 1.136 17604 217 1 . 1 1 56 56 GLY N N 56 102.932 102.932 108.276 -5.344 17604 218 1 . 1 1 56 56 GLY C C 56 172.123 172.123 172.900 -0.777 17604 219 1 . 1 1 56 56 GLY H H 56 8.688 8.688 7.816 0.872 17604 220 1 . 1 1 57 57 VAL N N 57 120.312 120.312 118.574 1.738 17604 221 1 . 1 1 57 57 VAL HA H 57 5.120 5.120 5.292 -0.172 17604 222 1 . 1 1 57 57 VAL C C 57 174.887 174.887 174.882 0.005 17604 223 1 . 1 1 57 57 VAL CA C 57 60.665 60.665 59.690 0.975 17604 224 1 . 1 1 57 57 VAL H H 57 7.473 7.473 7.423 0.050 17604 225 1 . 1 1 58 58 ILE N N 58 116.909 116.909 121.358 -4.449 17604 226 1 . 1 1 58 58 ILE HA H 58 4.875 4.875 5.094 -0.219 17604 227 1 . 1 1 58 58 ILE C C 58 175.410 175.410 175.216 0.194 17604 228 1 . 1 1 58 58 ILE H H 58 8.545 8.545 9.075 -0.530 17604 229 1 . 1 1 59 59 THR N N 59 109.210 109.210 112.610 -3.400 17604 230 1 . 1 1 59 59 THR HA H 59 4.619 4.619 4.661 -0.042 17604 231 1 . 1 1 59 59 THR C C 59 176.379 176.379 174.813 1.566 17604 232 1 . 1 1 59 59 THR CA C 59 59.842 59.842 60.184 -0.342 17604 233 1 . 1 1 59 59 THR H H 59 8.694 8.694 9.058 -0.364 17604 234 1 . 1 1 60 60 LYS N N 60 121.466 121.466 121.690 -0.224 17604 235 1 . 1 1 60 60 LYS HA H 60 3.865 3.865 3.958 -0.093 17604 236 1 . 1 1 60 60 LYS C C 60 178.086 178.086 178.332 -0.246 17604 237 1 . 1 1 60 60 LYS CA C 60 60.857 60.857 60.461 0.396 17604 238 1 . 1 1 60 60 LYS H H 60 9.147 9.147 8.818 0.329 17604 239 1 . 1 1 61 61 ASP N N 61 117.243 117.243 118.404 -1.161 17604 240 1 . 1 1 61 61 ASP HA H 61 4.350 4.350 4.409 -0.059 17604 241 1 . 1 1 61 61 ASP C C 61 179.628 179.628 179.028 0.600 17604 242 1 . 1 1 61 61 ASP CA C 61 57.194 57.194 57.524 -0.330 17604 243 1 . 1 1 61 61 ASP H H 61 8.252 8.252 8.536 -0.284 17604 244 1 . 1 1 62 62 GLU N N 62 121.473 121.473 120.195 1.278 17604 245 1 . 1 1 62 62 GLU HA H 62 3.883 3.883 4.067 -0.184 17604 246 1 . 1 1 62 62 GLU C C 62 178.781 178.781 178.825 -0.044 17604 247 1 . 1 1 62 62 GLU H H 62 7.713 7.713 7.895 -0.182 17604 248 1 . 1 1 63 63 ALA N N 63 121.213 121.213 122.795 -1.582 17604 249 1 . 1 1 63 63 ALA HA H 63 3.894 3.894 3.955 -0.061 17604 250 1 . 1 1 63 63 ALA C C 63 180.801 180.801 179.765 1.036 17604 251 1 . 1 1 63 63 ALA CA C 63 55.104 55.104 55.690 -0.586 17604 252 1 . 1 1 63 63 ALA H H 63 8.564 8.564 8.398 0.166 17604 253 1 . 1 1 64 64 GLU N N 64 119.853 119.853 118.218 1.635 17604 254 1 . 1 1 64 64 GLU HA H 64 4.185 4.185 4.188 -0.003 17604 255 1 . 1 1 64 64 GLU C C 64 177.889 177.889 178.923 -1.034 17604 256 1 . 1 1 64 64 GLU CA C 64 60.292 60.292 59.419 0.873 17604 257 1 . 1 1 64 64 GLU H H 64 8.423 8.423 8.389 0.034 17604 258 1 . 1 1 65 65 LYS N N 65 122.118 122.118 121.370 0.748 17604 259 1 . 1 1 65 65 LYS C C 65 179.896 179.896 179.007 0.889 17604 260 1 . 1 1 65 65 LYS CA C 65 59.688 59.688 59.642 0.046 17604 261 1 . 1 1 65 65 LYS H H 65 7.893 7.893 8.007 -0.114 17604 262 1 . 1 1 66 66 LEU N N 66 118.262 118.262 119.320 -1.058 17604 263 1 . 1 1 66 66 LEU C C 66 177.988 177.988 179.102 -1.114 17604 264 1 . 1 1 66 66 LEU H H 66 7.705 7.705 8.101 -0.396 17604 265 1 . 1 1 67 67 PHE N N 67 118.838 118.838 120.244 -1.406 17604 266 1 . 1 1 67 67 PHE HA H 67 5.268 5.268 4.284 0.984 17604 267 1 . 1 1 67 67 PHE C C 67 177.256 177.256 177.549 -0.293 17604 268 1 . 1 1 67 67 PHE CA C 67 59.689 59.689 60.843 -1.154 17604 269 1 . 1 1 67 67 PHE H H 67 8.060 8.060 8.465 -0.405 17604 270 1 . 1 1 68 68 ASN N N 68 117.691 117.691 117.405 0.286 17604 271 1 . 1 1 68 68 ASN C C 68 178.790 178.790 177.574 1.216 17604 272 1 . 1 1 68 68 ASN H H 68 8.473 8.473 8.571 -0.098 17604 273 1 . 1 1 69 69 GLN N N 69 118.450 118.450 119.181 -0.731 17604 274 1 . 1 1 69 69 GLN C C 69 178.971 178.971 178.447 0.524 17604 275 1 . 1 1 69 69 GLN H H 69 7.788 7.788 8.089 -0.301 17604 276 1 . 1 1 70 70 ASP N N 70 123.108 123.108 120.941 2.167 17604 277 1 . 1 1 70 70 ASP C C 70 179.925 179.925 178.976 0.949 17604 278 1 . 1 1 70 70 ASP H H 70 8.857 8.857 8.465 0.392 17604 279 1 . 1 1 71 71 VAL N N 71 125.622 125.622 120.716 4.906 17604 280 1 . 1 1 71 71 VAL HA H 71 3.591 3.591 3.470 0.121 17604 281 1 . 1 1 71 71 VAL C C 71 177.173 177.173 177.548 -0.375 17604 282 1 . 1 1 71 71 VAL CA C 71 68.390 68.390 66.774 1.616 17604 283 1 . 1 1 71 71 VAL H H 71 9.017 9.017 8.351 0.666 17604 284 1 . 1 1 72 72 ASP N N 72 118.829 118.829 119.979 -1.150 17604 285 1 . 1 1 72 72 ASP HA H 72 4.353 4.353 4.242 0.111 17604 286 1 . 1 1 72 72 ASP C C 72 178.629 178.629 178.182 0.447 17604 287 1 . 1 1 72 72 ASP CA C 72 57.625 57.625 57.301 0.324 17604 288 1 . 1 1 72 72 ASP H H 72 7.605 7.605 8.142 -0.537 17604 289 1 . 1 1 73 73 ALA N N 73 119.829 119.829 121.705 -1.876 17604 290 1 . 1 1 73 73 ALA HA H 73 4.028 4.028 4.029 -0.001 17604 291 1 . 1 1 73 73 ALA C C 73 180.382 180.382 179.552 0.830 17604 292 1 . 1 1 73 73 ALA CA C 73 55.139 55.139 55.050 0.089 17604 293 1 . 1 1 73 73 ALA H H 73 8.344 8.344 8.248 0.096 17604 294 1 . 1 1 74 74 ALA N N 74 123.039 123.039 121.862 1.177 17604 295 1 . 1 1 74 74 ALA HA H 74 4.167 4.167 3.984 0.183 17604 296 1 . 1 1 74 74 ALA C C 74 179.701 179.701 179.535 0.166 17604 297 1 . 1 1 74 74 ALA CA C 74 54.671 54.671 54.857 -0.186 17604 298 1 . 1 1 74 74 ALA H H 74 7.877 7.877 7.708 0.169 17604 299 1 . 1 1 75 75 VAL H H 75 8.180 8.180 7.881 0.299 17604 300 1 . 1 1 76 76 ARG N N 76 117.752 117.752 119.749 -1.997 17604 301 1 . 1 1 76 76 ARG HA H 76 3.815 3.815 3.901 -0.086 17604 302 1 . 1 1 76 76 ARG C C 76 178.843 178.843 178.742 0.101 17604 303 1 . 1 1 76 76 ARG H H 76 8.416 8.416 8.639 -0.223 17604 304 1 . 1 1 77 77 GLY N N 77 105.782 105.782 107.045 -1.263 17604 305 1 . 1 1 77 77 GLY C C 77 176.137 176.137 175.967 0.170 17604 306 1 . 1 1 77 77 GLY CA C 77 46.057 46.057 46.776 -0.718 17604 307 1 . 1 1 77 77 GLY H H 77 8.010 8.010 8.114 -0.104 17604 308 1 . 1 1 78 78 ILE N N 78 121.765 121.765 122.048 -0.283 17604 309 1 . 1 1 78 78 ILE C C 78 177.166 177.166 178.270 -1.104 17604 310 1 . 1 1 78 78 ILE H H 78 7.502 7.502 7.741 -0.239 17604 311 1 . 1 1 79 79 LEU N N 79 115.166 115.166 117.795 -2.629 17604 312 1 . 1 1 79 79 LEU HA H 79 3.827 3.827 4.019 -0.193 17604 313 1 . 1 1 79 79 LEU C C 79 178.804 178.804 178.113 0.691 17604 314 1 . 1 1 79 79 LEU H H 79 7.903 7.903 8.035 -0.132 17604 315 1 . 1 1 80 80 ARG N N 80 114.734 114.734 114.608 0.126 17604 316 1 . 1 1 80 80 ARG HA H 80 4.327 4.327 4.313 0.014 17604 317 1 . 1 1 80 80 ARG C C 80 175.118 175.118 175.792 -0.674 17604 318 1 . 1 1 80 80 ARG H H 80 7.707 7.707 7.644 0.063 17604 319 1 . 1 1 81 81 ASN N N 81 120.809 120.809 118.735 2.074 17604 320 1 . 1 1 81 81 ASN C C 81 174.581 174.581 175.218 -0.637 17604 321 1 . 1 1 81 81 ASN H H 81 7.498 7.498 7.507 -0.009 17604 322 1 . 1 1 82 82 ALA N N 82 127.902 127.902 129.611 -1.709 17604 323 1 . 1 1 82 82 ALA HA H 82 4.079 4.079 4.169 -0.090 17604 324 1 . 1 1 82 82 ALA C C 82 178.943 178.943 178.566 0.377 17604 325 1 . 1 1 82 82 ALA CA C 82 54.847 54.847 54.558 0.289 17604 326 1 . 1 1 82 82 ALA H H 82 8.849 8.849 8.972 -0.123 17604 327 1 . 1 1 83 83 LYS N N 83 114.166 114.166 117.380 -3.214 17604 328 1 . 1 1 83 83 LYS HA H 83 4.289 4.289 4.235 0.054 17604 329 1 . 1 1 83 83 LYS C C 83 177.907 177.907 178.633 -0.726 17604 330 1 . 1 1 83 83 LYS CA C 83 57.340 57.340 58.550 -1.210 17604 331 1 . 1 1 83 83 LYS H H 83 8.060 8.060 8.221 -0.161 17604 332 1 . 1 1 84 84 LEU N N 84 116.412 116.412 120.313 -3.901 17604 333 1 . 1 1 84 84 LEU C C 84 178.335 178.335 178.263 0.072 17604 334 1 . 1 1 84 84 LEU H H 84 7.531 7.531 8.447 -0.916 17604 335 1 . 1 1 85 85 LYS N N 85 121.080 121.080 120.630 0.450 17604 336 1 . 1 1 85 85 LYS H H 85 8.462 8.462 8.400 0.062 17604 337 1 . 1 1 86 86 PRO C C 86 179.959 179.959 179.202 0.757 17604 338 1 . 1 1 87 87 VAL N N 87 115.566 115.566 118.679 -3.113 17604 339 1 . 1 1 87 87 VAL HA H 87 3.744 3.744 3.763 -0.019 17604 340 1 . 1 1 87 87 VAL C C 87 178.545 178.545 178.255 0.290 17604 341 1 . 1 1 87 87 VAL CA C 87 65.504 65.504 66.262 -0.758 17604 342 1 . 1 1 87 87 VAL H H 87 6.893 6.893 7.281 -0.388 17604 343 1 . 1 1 88 88 TYR N N 88 122.544 122.544 121.117 1.427 17604 344 1 . 1 1 88 88 TYR HA H 88 3.899 3.899 4.133 -0.234 17604 345 1 . 1 1 88 88 TYR C C 88 177.722 177.722 178.140 -0.418 17604 346 1 . 1 1 88 88 TYR CA C 88 62.861 62.861 61.956 0.905 17604 347 1 . 1 1 88 88 TYR H H 88 8.457 8.457 8.671 -0.214 17604 348 1 . 1 1 89 89 ASP N N 89 117.217 117.217 117.640 -0.423 17604 349 1 . 1 1 89 89 ASP HA H 89 4.321 4.321 4.359 -0.038 17604 350 1 . 1 1 89 89 ASP C C 89 177.849 177.849 178.494 -0.645 17604 351 1 . 1 1 89 89 ASP H H 89 9.103 9.103 8.919 0.184 17604 352 1 . 1 1 90 90 SER N N 90 113.279 113.279 114.002 -0.723 17604 353 1 . 1 1 90 90 SER HA H 90 4.424 4.424 4.343 0.081 17604 354 1 . 1 1 90 90 SER C C 90 174.362 174.362 175.039 -0.677 17604 355 1 . 1 1 90 90 SER CA C 90 59.655 59.655 59.513 0.142 17604 356 1 . 1 1 90 90 SER H H 90 7.365 7.365 7.640 -0.275 17604 357 1 . 1 1 91 91 LEU N N 91 123.395 123.395 123.638 -0.243 17604 358 1 . 1 1 91 91 LEU HA H 91 4.424 4.424 4.508 -0.084 17604 359 1 . 1 1 91 91 LEU C C 91 176.268 176.268 176.773 -0.505 17604 360 1 . 1 1 91 91 LEU H H 91 7.458 7.458 7.353 0.105 17604 361 1 . 1 1 92 92 ASP N N 92 115.456 115.456 121.896 -6.440 17604 362 1 . 1 1 92 92 ASP HA H 92 4.623 4.623 4.477 0.146 17604 363 1 . 1 1 92 92 ASP C C 92 175.560 175.560 176.728 -1.168 17604 364 1 . 1 1 92 92 ASP CA C 92 52.176 52.176 53.959 -1.783 17604 365 1 . 1 1 92 92 ASP H H 92 7.401 7.401 8.446 -1.045 17604 366 1 . 1 1 93 93 ALA N N 93 119.761 119.761 122.083 -2.322 17604 367 1 . 1 1 93 93 ALA HA H 93 3.797 3.797 4.041 -0.244 17604 368 1 . 1 1 93 93 ALA C C 93 179.896 179.896 179.749 0.147 17604 369 1 . 1 1 93 93 ALA H H 93 8.687 8.687 8.537 0.150 17604 370 1 . 1 1 94 94 VAL N N 94 118.785 118.785 118.193 0.592 17604 371 1 . 1 1 94 94 VAL C C 94 177.307 177.307 177.851 -0.544 17604 372 1 . 1 1 94 94 VAL CA C 94 65.945 65.945 65.776 0.169 17604 373 1 . 1 1 94 94 VAL H H 94 7.822 7.822 7.583 0.239 17604 374 1 . 1 1 95 95 ARG N N 95 119.046 119.046 118.648 0.398 17604 375 1 . 1 1 95 95 ARG HA H 95 3.579 3.579 3.646 -0.067 17604 376 1 . 1 1 95 95 ARG C C 95 178.424 178.424 178.727 -0.303 17604 377 1 . 1 1 95 95 ARG H H 95 7.766 7.766 8.096 -0.330 17604 378 1 . 1 1 96 96 ARG N N 96 118.034 118.034 119.578 -1.544 17604 379 1 . 1 1 96 96 ARG C C 96 177.930 177.930 178.395 -0.465 17604 380 1 . 1 1 96 96 ARG H H 96 8.629 8.629 8.391 0.238 17604 381 1 . 1 1 97 97 ALA N N 97 119.949 119.949 121.321 -1.372 17604 382 1 . 1 1 97 97 ALA HA H 97 4.068 4.068 4.003 0.065 17604 383 1 . 1 1 97 97 ALA C C 97 178.702 178.702 178.934 -0.231 17604 384 1 . 1 1 97 97 ALA CA C 97 55.368 55.368 55.081 0.287 17604 385 1 . 1 1 97 97 ALA H H 97 7.028 7.028 7.445 -0.417 17604 386 1 . 1 1 98 98 ALA N N 98 118.852 118.852 121.099 -2.247 17604 387 1 . 1 1 98 98 ALA C C 98 177.525 177.525 179.083 -1.558 17604 388 1 . 1 1 98 98 ALA CA C 98 55.322 55.322 54.513 0.809 17604 389 1 . 1 1 98 98 ALA H H 98 7.200 7.200 7.216 -0.016 17604 390 1 . 1 1 99 99 ALA N N 99 119.728 119.728 121.443 -1.715 17604 391 1 . 1 1 99 99 ALA HA H 99 3.534 3.534 4.010 -0.476 17604 392 1 . 1 1 99 99 ALA CA C 99 55.596 55.596 55.110 0.486 17604 393 1 . 1 1 99 99 ALA H H 99 7.795 7.795 7.643 0.152 17604 394 1 . 1 1 100 100 ILE N N 100 116.243 116.243 117.940 -1.697 17604 395 1 . 1 1 100 100 ILE HA H 100 3.451 3.451 3.644 -0.193 17604 396 1 . 1 1 100 100 ILE C C 100 176.994 176.994 177.833 -0.839 17604 397 1 . 1 1 100 100 ILE H H 100 8.093 8.093 8.250 -0.157 17604 398 1 . 1 1 101 101 ASN N N 101 116.433 116.433 117.697 -1.264 17604 399 1 . 1 1 101 101 ASN HA H 101 4.258 4.258 4.485 -0.227 17604 400 1 . 1 1 101 101 ASN C C 101 177.449 177.449 177.644 -0.195 17604 401 1 . 1 1 101 101 ASN CA C 101 56.826 56.826 55.785 1.041 17604 402 1 . 1 1 101 101 ASN H H 101 8.097 8.097 7.951 0.147 17604 403 1 . 1 1 102 102 MET N N 102 113.936 113.936 118.085 -4.149 17604 404 1 . 1 1 102 102 MET HA H 102 3.657 3.657 4.104 -0.447 17604 405 1 . 1 1 102 102 MET CA C 102 61.050 61.050 56.995 4.055 17604 406 1 . 1 1 102 102 MET H H 102 7.719 7.719 7.854 -0.135 17604 407 1 . 1 1 103 103 VAL N N 103 105.507 105.507 111.872 -6.365 17604 408 1 . 1 1 103 103 VAL C C 103 175.510 175.510 175.471 0.039 17604 409 1 . 1 1 103 103 VAL CA C 103 61.665 61.665 61.052 0.613 17604 410 1 . 1 1 103 103 VAL H H 103 7.320 7.320 7.314 0.006 17604 411 1 . 1 1 104 104 PHE N N 104 126.466 126.466 123.822 2.644 17604 412 1 . 1 1 104 104 PHE C C 104 176.939 176.939 174.733 2.206 17604 413 1 . 1 1 104 104 PHE H H 104 7.877 7.877 7.535 0.342 17604 414 1 . 1 1 105 105 GLN N N 105 119.920 119.920 120.351 -0.431 17604 415 1 . 1 1 105 105 GLN C C 105 174.943 174.943 174.513 0.430 17604 416 1 . 1 1 105 105 GLN H H 105 8.540 8.540 8.239 0.301 17604 417 1 . 1 1 106 106 MET N N 106 117.242 117.242 118.746 -1.504 17604 418 1 . 1 1 106 106 MET HA H 106 4.146 4.146 4.533 -0.387 17604 419 1 . 1 1 106 106 MET C C 106 177.126 177.126 176.476 0.650 17604 420 1 . 1 1 106 106 MET CA C 106 54.786 54.786 54.635 0.151 17604 421 1 . 1 1 106 106 MET H H 106 8.869 8.869 7.626 1.243 17604 422 1 . 1 1 107 107 GLY N N 107 107.963 107.963 109.677 -1.714 17604 423 1 . 1 1 107 107 GLY C C 107 174.858 174.858 174.889 -0.031 17604 424 1 . 1 1 107 107 GLY CA C 107 46.098 46.098 44.505 1.593 17604 425 1 . 1 1 107 107 GLY H H 107 7.819 7.819 8.226 -0.407 17604 426 1 . 1 1 108 108 GLU N N 108 122.988 122.988 121.729 1.259 17604 427 1 . 1 1 108 108 GLU C C 108 179.500 179.500 178.636 0.864 17604 428 1 . 1 1 108 108 GLU H H 108 8.778 8.778 8.906 -0.128 17604 429 1 . 1 1 109 109 THR N N 109 112.024 112.024 113.419 -1.395 17604 430 1 . 1 1 109 109 THR HA H 109 4.193 4.193 4.152 0.041 17604 431 1 . 1 1 109 109 THR C C 109 178.149 178.149 176.757 1.392 17604 432 1 . 1 1 109 109 THR CA C 109 65.018 65.018 66.736 -1.718 17604 433 1 . 1 1 109 109 THR H H 109 8.617 8.617 8.372 0.245 17604 434 1 . 1 1 110 110 GLY N N 110 116.155 116.155 109.841 6.314 17604 435 1 . 1 1 110 110 GLY C C 110 175.727 175.727 175.848 -0.121 17604 436 1 . 1 1 110 110 GLY H H 110 8.631 8.631 7.956 0.675 17604 437 1 . 1 1 111 111 VAL N N 111 120.428 120.428 122.955 -2.527 17604 438 1 . 1 1 111 111 VAL HA H 111 3.636 3.636 3.655 -0.019 17604 439 1 . 1 1 111 111 VAL C C 111 179.055 179.055 177.832 1.223 17604 440 1 . 1 1 111 111 VAL CA C 111 67.128 67.128 66.240 0.888 17604 441 1 . 1 1 111 111 VAL H H 111 8.073 8.073 7.814 0.259 17604 442 1 . 1 1 112 112 ALA N N 112 124.050 124.050 122.435 1.615 17604 443 1 . 1 1 112 112 ALA HA H 112 4.215 4.215 4.081 0.134 17604 444 1 . 1 1 112 112 ALA C C 112 180.059 180.059 179.594 0.465 17604 445 1 . 1 1 112 112 ALA CA C 112 55.420 55.420 55.269 0.151 17604 446 1 . 1 1 112 112 ALA H H 112 8.297 8.297 8.334 -0.037 17604 447 1 . 1 1 113 113 GLY N N 113 105.820 105.820 106.697 -0.877 17604 448 1 . 1 1 113 113 GLY C C 113 175.656 175.656 175.874 -0.218 17604 449 1 . 1 1 113 113 GLY CA C 113 47.018 47.018 46.733 0.285 17604 450 1 . 1 1 113 113 GLY H H 113 8.218 8.218 8.053 0.165 17604 451 1 . 1 1 114 114 PHE N N 114 122.441 122.441 122.449 -0.008 17604 452 1 . 1 1 114 114 PHE HA H 114 4.208 4.208 4.313 -0.105 17604 453 1 . 1 1 114 114 PHE C C 114 177.316 177.316 177.831 -0.515 17604 454 1 . 1 1 114 114 PHE CA C 114 59.874 59.874 60.254 -0.381 17604 455 1 . 1 1 114 114 PHE H H 114 8.111 8.111 8.205 -0.094 17604 456 1 . 1 1 115 115 THR N N 115 114.602 114.602 115.370 -0.768 17604 457 1 . 1 1 115 115 THR C C 115 176.611 176.611 176.548 0.063 17604 458 1 . 1 1 115 115 THR CA C 115 66.636 66.636 66.660 -0.024 17604 459 1 . 1 1 115 115 THR H H 115 8.378 8.378 8.466 -0.088 17604 460 1 . 1 1 116 116 ASN N N 116 119.071 119.071 118.642 0.429 17604 461 1 . 1 1 116 116 ASN H H 116 8.276 8.276 7.909 0.367 17604 462 1 . 1 1 117 117 SER C C 117 174.833 174.833 174.608 0.225 17604 463 1 . 1 1 118 118 LEU N N 118 121.114 121.114 122.199 -1.086 17604 464 1 . 1 1 118 118 LEU HA H 118 4.172 4.172 3.738 0.434 17604 465 1 . 1 1 118 118 LEU C C 118 177.954 177.954 177.982 -0.028 17604 466 1 . 1 1 118 118 LEU H H 118 7.336 7.336 7.214 0.122 17604 467 1 . 1 1 119 119 ARG N N 119 117.315 117.315 118.174 -0.859 17604 468 1 . 1 1 119 119 ARG HA H 119 4.051 4.051 3.959 0.092 17604 469 1 . 1 1 119 119 ARG C C 119 178.720 178.720 177.927 0.793 17604 470 1 . 1 1 119 119 ARG CA C 119 58.621 58.621 59.078 -0.457 17604 471 1 . 1 1 119 119 ARG H H 119 8.329 8.329 8.053 0.276 17604 472 1 . 1 1 120 120 MET N N 120 115.507 115.507 117.430 -1.923 17604 473 1 . 1 1 120 120 MET HA H 120 3.969 3.969 4.184 -0.215 17604 474 1 . 1 1 120 120 MET C C 120 178.161 178.161 178.411 -0.250 17604 475 1 . 1 1 120 120 MET CA C 120 59.029 59.029 57.484 1.545 17604 476 1 . 1 1 120 120 MET H H 120 7.408 7.408 7.877 -0.469 17604 477 1 . 1 1 121 121 LEU N N 121 117.639 117.639 119.552 -1.913 17604 478 1 . 1 1 121 121 LEU HA H 121 3.853 3.853 3.958 -0.105 17604 479 1 . 1 1 121 121 LEU C C 121 179.852 179.852 179.686 0.166 17604 480 1 . 1 1 121 121 LEU H H 121 7.681 7.681 7.993 -0.312 17604 481 1 . 1 1 122 122 GLN N N 122 120.423 120.423 119.538 0.885 17604 482 1 . 1 1 122 122 GLN HA H 122 3.945 3.945 4.028 -0.083 17604 483 1 . 1 1 122 122 GLN C C 122 176.976 176.976 177.732 -0.756 17604 484 1 . 1 1 122 122 GLN CA C 122 59.390 59.390 58.224 1.166 17604 485 1 . 1 1 122 122 GLN H H 122 8.689 8.689 8.131 0.558 17604 486 1 . 1 1 123 123 GLN N N 123 113.631 113.631 115.611 -1.980 17604 487 1 . 1 1 123 123 GLN HA H 123 4.072 4.072 4.202 -0.130 17604 488 1 . 1 1 123 123 GLN C C 123 174.455 174.455 175.074 -0.619 17604 489 1 . 1 1 123 123 GLN CA C 123 55.180 55.180 55.578 -0.398 17604 490 1 . 1 1 123 123 GLN H H 123 7.251 7.251 7.522 -0.271 17604 491 1 . 1 1 124 124 LYS N N 124 114.745 114.745 114.489 0.256 17604 492 1 . 1 1 124 124 LYS C C 124 174.910 174.910 175.148 -0.238 17604 493 1 . 1 1 124 124 LYS H H 124 7.291 7.291 7.381 -0.090 17604 494 1 . 1 1 125 125 ARG N N 125 119.533 119.533 118.669 0.864 17604 495 1 . 1 1 125 125 ARG HA H 125 4.237 4.237 4.180 0.057 17604 496 1 . 1 1 125 125 ARG C C 125 177.182 177.182 176.351 0.831 17604 497 1 . 1 1 125 125 ARG CA C 125 54.186 54.186 54.540 -0.354 17604 498 1 . 1 1 125 125 ARG H H 125 7.715 7.715 7.852 -0.137 17604 499 1 . 1 1 126 126 TRP N N 126 119.232 119.232 123.545 -4.313 17604 500 1 . 1 1 126 126 TRP C C 126 178.891 178.891 177.716 1.175 17604 501 1 . 1 1 126 126 TRP H H 126 6.888 6.888 7.443 -0.555 17604 502 1 . 1 1 127 127 ASP N N 127 116.481 116.481 117.753 -1.272 17604 503 1 . 1 1 127 127 ASP HA H 127 4.416 4.416 4.412 0.004 17604 504 1 . 1 1 127 127 ASP C C 127 178.854 178.854 178.530 0.324 17604 505 1 . 1 1 127 127 ASP CA C 127 57.690 57.690 57.989 -0.299 17604 506 1 . 1 1 127 127 ASP H H 127 8.548 8.548 8.858 -0.310 17604 507 1 . 1 1 128 128 GLU N N 128 120.565 120.565 120.345 0.220 17604 508 1 . 1 1 128 128 GLU HA H 128 3.953 3.953 4.031 -0.078 17604 509 1 . 1 1 128 128 GLU C C 128 179.945 179.945 178.255 1.690 17604 510 1 . 1 1 128 128 GLU CA C 128 59.556 59.556 59.088 0.468 17604 511 1 . 1 1 128 128 GLU H H 128 8.311 8.311 8.356 -0.045 17604 512 1 . 1 1 129 129 ALA N N 129 122.262 122.262 122.188 0.074 17604 513 1 . 1 1 129 129 ALA HA H 129 4.008 4.008 3.974 0.034 17604 514 1 . 1 1 129 129 ALA C C 129 178.673 178.673 179.571 -0.898 17604 515 1 . 1 1 129 129 ALA H H 129 8.630 8.630 8.558 0.071 17604 516 1 . 1 1 130 130 ALA N N 130 119.515 119.515 121.195 -1.680 17604 517 1 . 1 1 130 130 ALA C C 130 179.789 179.789 179.656 0.133 17604 518 1 . 1 1 130 130 ALA CA C 130 55.691 55.691 55.165 0.526 17604 519 1 . 1 1 130 130 ALA H H 130 8.263 8.263 8.066 0.197 17604 520 1 . 1 1 131 131 VAL N N 131 117.584 117.584 118.671 -1.087 17604 521 1 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.431 0.148 17604 522 1 . 1 1 131 131 VAL C C 131 178.341 178.341 178.341 0.000 17604 523 1 . 1 1 131 131 VAL CA C 131 66.122 66.122 66.717 -0.595 17604 524 1 . 1 1 131 131 VAL H H 131 7.883 7.883 8.215 -0.332 17604 525 1 . 1 1 132 132 ASN N N 132 118.267 118.267 118.296 -0.029 17604 526 1 . 1 1 132 132 ASN HA H 132 4.328 4.328 4.468 -0.140 17604 527 1 . 1 1 132 132 ASN C C 132 178.969 178.969 178.133 0.836 17604 528 1 . 1 1 132 132 ASN CA C 132 56.825 56.825 55.949 0.876 17604 529 1 . 1 1 133 133 LEU N N 133 121.157 121.157 120.025 1.132 17604 530 1 . 1 1 133 133 LEU C C 133 179.658 179.658 178.991 0.667 17604 531 1 . 1 1 133 133 LEU H H 133 8.868 8.868 8.207 0.661 17604 532 1 . 1 1 134 134 ALA N N 134 121.551 121.551 120.135 1.416 17604 533 1 . 1 1 134 134 ALA C C 134 177.027 177.027 177.731 -0.704 17604 534 1 . 1 1 134 134 ALA H H 134 7.720 7.720 7.702 0.018 17604 535 1 . 1 1 135 135 LYS N N 135 115.144 115.144 116.845 -1.701 17604 536 1 . 1 1 135 135 LYS HA H 135 4.407 4.407 4.301 0.106 17604 537 1 . 1 1 135 135 LYS C C 135 176.809 176.809 176.559 0.249 17604 538 1 . 1 1 135 135 LYS CA C 135 55.912 55.912 56.134 -0.222 17604 539 1 . 1 1 135 135 LYS H H 135 7.276 7.276 7.603 -0.327 17604 540 1 . 1 1 136 136 SER N N 136 115.694 115.694 115.262 0.432 17604 541 1 . 1 1 136 136 SER HA H 136 4.427 4.427 4.588 -0.161 17604 542 1 . 1 1 136 136 SER C C 136 174.351 174.351 175.589 -1.238 17604 543 1 . 1 1 136 136 SER CA C 136 58.922 58.922 57.590 1.332 17604 544 1 . 1 1 136 136 SER H H 136 7.550 7.550 7.663 -0.113 17604 545 1 . 1 1 137 137 ARG N N 137 122.410 122.410 123.176 -0.766 17604 546 1 . 1 1 137 137 ARG HA H 137 4.248 4.248 4.175 0.073 17604 547 1 . 1 1 137 137 ARG C C 137 178.462 178.462 177.968 0.494 17604 548 1 . 1 1 137 137 ARG CA C 137 58.567 58.567 59.652 -1.085 17604 549 1 . 1 1 137 137 ARG H H 137 8.694 8.694 9.057 -0.363 17604 550 1 . 1 1 138 138 TRP N N 138 119.884 119.884 121.153 -1.269 17604 551 1 . 1 1 138 138 TRP HA H 138 4.182 4.182 4.392 -0.210 17604 552 1 . 1 1 138 138 TRP C C 138 175.710 175.710 177.465 -1.755 17604 553 1 . 1 1 138 138 TRP CA C 138 62.100 62.100 60.291 1.809 17604 554 1 . 1 1 138 138 TRP H H 138 8.476 8.476 8.286 0.190 17604 555 1 . 1 1 139 139 TYR N N 139 118.715 118.715 119.659 -0.944 17604 556 1 . 1 1 139 139 TYR HA H 139 3.000 3.000 3.919 -0.919 17604 557 1 . 1 1 139 139 TYR C C 139 175.701 175.701 177.161 -1.461 17604 558 1 . 1 1 139 139 TYR CA C 139 60.196 60.196 61.466 -1.270 17604 559 1 . 1 1 139 139 TYR H H 139 7.851 7.851 7.807 0.044 17604 560 1 . 1 1 140 140 ASN N N 140 111.811 111.811 116.560 -4.749 17604 561 1 . 1 1 140 140 ASN C C 140 176.521 176.521 176.971 -0.450 17604 562 1 . 1 1 141 141 GLN N N 141 117.421 117.421 117.693 -0.272 17604 563 1 . 1 1 141 141 GLN C C 141 176.598 176.598 176.431 0.167 17604 564 1 . 1 1 141 141 GLN H H 141 7.779 7.779 7.819 -0.040 17604 565 1 . 1 1 142 142 THR N N 142 111.422 111.422 110.798 0.624 17604 566 1 . 1 1 142 142 THR H H 142 7.046 7.046 7.656 -0.610 17604 567 1 . 1 1 143 143 PRO HA H 143 3.944 3.944 3.601 0.343 17604 568 1 . 1 1 143 143 PRO C C 143 178.463 178.463 177.745 0.718 17604 569 1 . 1 1 144 144 ASN N N 144 116.489 116.489 116.627 -0.138 17604 570 1 . 1 1 144 144 ASN C C 144 177.480 177.480 177.441 0.039 17604 571 1 . 1 1 144 144 ASN CA C 144 56.104 56.104 56.196 -0.092 17604 572 1 . 1 1 144 144 ASN H H 144 8.194 8.194 8.570 -0.376 17604 573 1 . 1 1 145 145 ARG N N 145 121.900 121.900 120.494 1.406 17604 574 1 . 1 1 145 145 ARG HA H 145 3.902 3.902 4.142 -0.239 17604 575 1 . 1 1 145 145 ARG C C 145 176.937 176.937 178.061 -1.124 17604 576 1 . 1 1 145 145 ARG CA C 145 57.561 57.561 59.150 -1.589 17604 577 1 . 1 1 145 145 ARG H H 145 7.854 7.854 7.906 -0.052 17604 578 1 . 1 1 146 146 ALA N N 146 119.119 119.119 122.212 -3.093 17604 579 1 . 1 1 146 146 ALA HA H 146 3.985 3.985 4.260 -0.275 17604 580 1 . 1 1 146 146 ALA C C 146 179.367 179.367 179.003 0.364 17604 581 1 . 1 1 146 146 ALA CA C 146 55.286 55.286 55.353 -0.067 17604 582 1 . 1 1 146 146 ALA H H 146 8.439 8.439 8.276 0.163 17604 583 1 . 1 1 147 147 LYS N N 147 116.600 116.600 118.893 -2.293 17604 584 1 . 1 1 147 147 LYS C C 147 180.052 180.052 178.984 1.068 17604 585 1 . 1 1 147 147 LYS CA C 147 60.644 60.644 60.022 0.623 17604 586 1 . 1 1 147 147 LYS H H 147 8.066 8.066 8.117 -0.051 17604 587 1 . 1 1 148 148 ARG N N 148 119.327 119.327 118.970 0.357 17604 588 1 . 1 1 148 148 ARG HA H 148 3.774 3.774 3.941 -0.167 17604 589 1 . 1 1 148 148 ARG C C 148 180.211 180.211 178.944 1.267 17604 590 1 . 1 1 148 148 ARG CA C 148 60.416 60.416 59.315 1.101 17604 591 1 . 1 1 148 148 ARG H H 148 7.489 7.489 7.740 -0.251 17604 592 1 . 1 1 149 149 VAL N N 149 125.204 125.204 120.509 4.695 17604 593 1 . 1 1 149 149 VAL HA H 149 3.389 3.389 3.776 -0.387 17604 594 1 . 1 1 149 149 VAL C C 149 178.523 178.523 178.290 0.233 17604 595 1 . 1 1 149 149 VAL CA C 149 68.295 68.295 66.608 1.687 17604 596 1 . 1 1 149 149 VAL H H 149 8.876 8.876 7.863 1.013 17604 597 1 . 1 1 150 150 ILE N N 150 121.036 121.036 120.951 0.085 17604 598 1 . 1 1 150 150 ILE HA H 150 3.893 3.893 3.928 -0.035 17604 599 1 . 1 1 150 150 ILE C C 150 178.541 178.541 178.175 0.366 17604 600 1 . 1 1 150 150 ILE H H 150 9.322 9.322 8.909 0.413 17604 601 1 . 1 1 151 151 THR N N 151 117.932 117.932 116.800 1.131 17604 602 1 . 1 1 151 151 THR C C 151 176.418 176.418 176.562 -0.144 17604 603 1 . 1 1 151 151 THR CA C 151 67.495 67.495 67.649 -0.154 17604 604 1 . 1 1 151 151 THR H H 151 8.382 8.382 8.533 -0.150 17604 605 1 . 1 1 152 152 THR N N 152 121.769 121.769 119.758 2.012 17604 606 1 . 1 1 152 152 THR HA H 152 4.117 4.117 4.193 -0.076 17604 607 1 . 1 1 152 152 THR C C 152 176.328 176.328 176.303 0.025 17604 608 1 . 1 1 152 152 THR CA C 152 67.646 67.646 66.880 0.767 17604 609 1 . 1 1 152 152 THR H H 152 7.982 7.982 7.774 0.208 17604 610 1 . 1 1 153 153 PHE N N 153 120.509 120.509 121.272 -0.763 17604 611 1 . 1 1 153 153 PHE C C 153 177.848 177.848 177.403 0.445 17604 612 1 . 1 1 153 153 PHE H H 153 8.410 8.410 8.251 0.159 17604 613 1 . 1 1 154 154 ARG N N 154 117.947 117.947 119.621 -1.674 17604 614 1 . 1 1 154 154 ARG C C 154 178.389 178.389 178.489 -0.100 17604 615 1 . 1 1 154 154 ARG CA C 154 59.772 59.772 59.915 -0.143 17604 616 1 . 1 1 154 154 ARG H H 154 8.733 8.733 8.433 0.300 17604 617 1 . 1 1 155 155 THR N N 155 105.055 105.055 108.844 -3.789 17604 618 1 . 1 1 155 155 THR HA H 155 4.235 4.235 4.301 -0.066 17604 619 1 . 1 1 155 155 THR C C 155 176.705 176.705 175.760 0.945 17604 620 1 . 1 1 155 155 THR CA C 155 62.225 62.225 62.122 0.103 17604 621 1 . 1 1 155 155 THR H H 155 8.219 8.219 7.911 0.308 17604 622 1 . 1 1 156 156 GLY N N 156 111.712 111.712 112.333 -0.621 17604 623 1 . 1 1 156 156 GLY C C 156 172.901 172.901 174.176 -1.275 17604 624 1 . 1 1 156 156 GLY H H 156 8.500 8.500 8.021 0.479 17604 625 1 . 1 1 157 157 THR N N 157 108.367 108.367 110.540 -2.173 17604 626 1 . 1 1 157 157 THR HA H 157 4.646 4.646 4.375 0.271 17604 627 1 . 1 1 157 157 THR C C 157 174.042 174.042 173.030 1.012 17604 628 1 . 1 1 157 157 THR CA C 157 58.745 58.745 59.392 -0.647 17604 629 1 . 1 1 157 157 THR H H 157 7.568 7.568 7.257 0.311 17604 630 1 . 1 1 158 158 TRP N N 158 117.864 117.864 119.680 -1.816 17604 631 1 . 1 1 158 158 TRP HA H 158 5.024 5.024 4.932 0.092 17604 632 1 . 1 1 158 158 TRP C C 158 178.088 178.088 176.857 1.231 17604 633 1 . 1 1 158 158 TRP CA C 158 56.138 56.138 56.465 -0.327 17604 634 1 . 1 1 158 158 TRP H H 158 8.512 8.512 8.603 -0.091 17604 635 1 . 1 1 159 159 ASP N N 159 119.522 119.522 122.134 -2.612 17604 636 1 . 1 1 159 159 ASP HA H 159 4.196 4.196 4.458 -0.262 17604 637 1 . 1 1 159 159 ASP C C 159 177.430 177.430 178.088 -0.658 17604 638 1 . 1 1 159 159 ASP CA C 159 58.658 58.658 57.610 1.048 17604 639 1 . 1 1 159 159 ASP H H 159 7.972 7.972 7.830 0.142 17604 640 1 . 1 1 160 160 ALA N N 160 119.939 119.939 121.163 -1.224 17604 641 1 . 1 1 160 160 ALA HA H 160 4.173 4.173 4.177 -0.004 17604 642 1 . 1 1 160 160 ALA C C 160 177.293 177.293 177.923 -0.630 17604 643 1 . 1 1 160 160 ALA CA C 160 53.580 53.580 53.660 -0.080 17604 644 1 . 1 1 160 160 ALA H H 160 9.143 9.143 8.339 0.803 17604 645 1 . 1 1 161 161 TYR N N 161 113.613 113.613 113.294 0.319 17604 646 1 . 1 1 161 161 TYR C C 161 175.078 175.078 177.434 -2.356 17604 647 1 . 1 1 161 161 TYR H H 161 8.071 8.071 8.015 0.056 17604 648 1 . 1 1 162 162 LYS N N 162 119.559 119.559 120.380 -0.821 17604 649 1 . 1 1 162 162 LYS C C 162 176.124 176.124 177.861 -1.737 17604 650 1 . 1 1 162 162 LYS H H 162 7.266 7.266 7.667 -0.401 17604 651 1 . 1 1 163 163 ASN N N 163 116.663 116.663 115.962 0.701 17604 652 1 . 1 1 163 163 ASN HA H 163 4.527 4.527 4.681 -0.154 17604 653 1 . 1 1 163 163 ASN C C 163 173.671 173.671 175.324 -1.653 17604 654 1 . 1 1 163 163 ASN CA C 163 54.041 54.041 53.505 0.536 17604 655 1 . 1 1 163 163 ASN H H 163 8.629 8.629 8.406 0.223 17604 stop_ save_