data_19945 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19945 _Entry.PDB_ID 2MOK 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 19945 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.730 -0.478 19945 2 1 1 . 1 1 2 2 ALA C C 2 174.479 174.479 177.991 -3.512 19945 3 1 1 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.822 1.646 19945 4 1 1 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.910 -0.743 19945 5 1 1 . 1 1 3 3 ILE N N 3 116.571 116.571 113.479 3.092 19945 6 1 1 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.648 -0.103 19945 7 1 1 . 1 1 3 3 ILE C C 3 175.806 175.806 175.788 0.018 19945 8 1 1 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.608 1.587 19945 9 1 1 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.234 0.176 19945 10 1 1 . 1 1 3 3 ILE H H 3 8.456 8.456 8.140 0.316 19945 11 1 1 . 1 1 4 4 THR N N 4 115.734 115.734 118.654 -2.920 19945 12 1 1 . 1 1 4 4 THR HA H 4 5.124 5.124 5.098 0.026 19945 13 1 1 . 1 1 4 4 THR C C 4 172.410 172.410 173.356 -0.946 19945 14 1 1 . 1 1 4 4 THR CA C 4 61.724 61.724 61.278 0.446 19945 15 1 1 . 1 1 4 4 THR CB C 4 70.059 70.059 70.652 -0.593 19945 16 1 1 . 1 1 4 4 THR H H 4 8.244 8.244 8.170 0.074 19945 17 1 1 . 1 1 5 5 GLY N N 5 116.016 116.016 112.608 3.408 19945 18 1 1 . 1 1 5 5 GLY C C 5 171.077 171.077 172.407 -1.330 19945 19 1 1 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.184 0.325 19945 20 1 1 . 1 1 5 5 GLY H H 5 8.554 8.554 8.924 -0.370 19945 21 1 1 . 1 1 6 6 ILE N N 6 126.504 126.504 126.372 0.132 19945 22 1 1 . 1 1 6 6 ILE HA H 6 5.451 5.451 5.026 0.425 19945 23 1 1 . 1 1 6 6 ILE C C 6 175.245 175.245 174.620 0.625 19945 24 1 1 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.038 -1.120 19945 25 1 1 . 1 1 6 6 ILE CB C 6 38.208 38.208 39.264 -1.056 19945 26 1 1 . 1 1 6 6 ILE H H 6 8.719 8.719 8.978 -0.259 19945 27 1 1 . 1 1 7 7 PHE N N 7 127.559 127.559 126.518 1.041 19945 28 1 1 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.591 0.022 19945 29 1 1 . 1 1 7 7 PHE C C 7 174.634 174.634 174.838 -0.204 19945 30 1 1 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.079 -0.416 19945 31 1 1 . 1 1 7 7 PHE CB C 7 41.688 41.688 42.161 -0.473 19945 32 1 1 . 1 1 7 7 PHE H H 7 9.609 9.609 9.588 0.021 19945 33 1 1 . 1 1 8 8 PHE N N 8 120.006 120.006 120.438 -0.432 19945 34 1 1 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.383 0.841 19945 35 1 1 . 1 1 8 8 PHE C C 8 171.212 171.212 174.311 -3.099 19945 36 1 1 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.122 -0.443 19945 37 1 1 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.996 1.525 19945 38 1 1 . 1 1 8 8 PHE H H 8 8.545 8.545 8.869 -0.324 19945 39 1 1 . 1 1 9 9 GLY N N 9 109.650 109.650 109.911 -0.261 19945 40 1 1 . 1 1 9 9 GLY C C 9 172.512 172.512 172.678 -0.166 19945 41 1 1 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.144 1.174 19945 42 1 1 . 1 1 9 9 GLY H H 9 7.701 7.701 7.934 -0.233 19945 43 1 1 . 1 1 10 10 SER N N 10 115.953 115.953 114.927 1.026 19945 44 1 1 . 1 1 10 10 SER HA H 10 5.001 5.001 4.928 0.073 19945 45 1 1 . 1 1 10 10 SER C C 10 173.439 173.439 172.925 0.514 19945 46 1 1 . 1 1 10 10 SER CA C 10 58.308 58.308 57.613 0.695 19945 47 1 1 . 1 1 10 10 SER CB C 10 66.423 66.423 67.126 -0.703 19945 48 1 1 . 1 1 10 10 SER H H 10 8.634 8.634 8.138 0.496 19945 49 1 1 . 1 1 11 11 ASP N N 11 104.000 104.000 119.629 -15.629 19945 50 1 1 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.671 0.303 19945 51 1 1 . 1 1 11 11 ASP C C 11 179.108 179.108 176.807 2.301 19945 52 1 1 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.349 0.201 19945 53 1 1 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.533 -1.433 19945 54 1 1 . 1 1 11 11 ASP H H 11 11.201 11.201 8.944 2.257 19945 55 1 1 . 1 1 12 12 THR N N 12 112.000 112.000 112.951 -0.951 19945 56 1 1 . 1 1 12 12 THR HA H 12 4.804 4.804 4.376 0.428 19945 57 1 1 . 1 1 12 12 THR C C 12 175.080 175.080 175.617 -0.537 19945 58 1 1 . 1 1 12 12 THR CA C 12 60.237 60.237 62.639 -2.402 19945 59 1 1 . 1 1 12 12 THR CB C 12 68.567 68.567 69.276 -0.709 19945 60 1 1 . 1 1 12 12 THR H H 12 9.311 9.311 8.367 0.944 19945 61 1 1 . 1 1 13 13 GLY N N 13 112.221 112.221 110.278 1.943 19945 62 1 1 . 1 1 13 13 GLY C C 13 176.690 176.690 174.861 1.829 19945 63 1 1 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.877 1.423 19945 64 1 1 . 1 1 13 13 GLY H H 13 8.000 8.000 8.463 -0.463 19945 65 1 1 . 1 1 14 14 ASN N N 14 128.520 128.520 118.759 9.761 19945 66 1 1 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.462 0.164 19945 67 1 1 . 1 1 14 14 ASN C C 14 178.888 178.888 176.731 2.157 19945 68 1 1 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.426 1.637 19945 69 1 1 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.372 -1.538 19945 70 1 1 . 1 1 14 14 ASN H H 14 11.112 11.112 8.366 2.746 19945 71 1 1 . 1 1 15 15 THR N N 15 122.550 122.550 112.428 10.122 19945 72 1 1 . 1 1 15 15 THR HA H 15 4.369 4.369 3.946 0.423 19945 73 1 1 . 1 1 15 15 THR C C 15 176.786 176.786 175.696 1.090 19945 74 1 1 . 1 1 15 15 THR CA C 15 67.325 67.325 65.241 2.084 19945 75 1 1 . 1 1 15 15 THR CB C 15 67.961 67.961 67.793 0.168 19945 76 1 1 . 1 1 15 15 THR H H 15 11.327 11.327 8.361 2.966 19945 77 1 1 . 1 1 16 16 GLU N N 16 120.578 120.578 121.851 -1.273 19945 78 1 1 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.445 -0.158 19945 79 1 1 . 1 1 16 16 GLU C C 16 176.642 176.642 177.870 -1.228 19945 80 1 1 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.292 -0.223 19945 81 1 1 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.985 -0.608 19945 82 1 1 . 1 1 16 16 GLU H H 16 6.590 6.590 7.609 -1.019 19945 83 1 1 . 1 1 17 17 ASN N N 17 118.000 118.000 118.093 -0.093 19945 84 1 1 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.426 -0.116 19945 85 1 1 . 1 1 17 17 ASN C C 17 178.255 178.255 177.675 0.580 19945 86 1 1 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.710 0.591 19945 87 1 1 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.904 -0.266 19945 88 1 1 . 1 1 17 17 ASN H H 17 7.705 7.705 7.538 0.167 19945 89 1 1 . 1 1 18 18 ILE N N 18 119.430 119.430 120.081 -0.651 19945 90 1 1 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.577 0.075 19945 91 1 1 . 1 1 18 18 ILE C C 18 177.564 177.564 177.617 -0.053 19945 92 1 1 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.309 -0.809 19945 93 1 1 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.384 -1.833 19945 94 1 1 . 1 1 18 18 ILE H H 18 8.141 8.141 7.273 0.868 19945 95 1 1 . 1 1 19 19 ALA N N 19 123.208 123.208 122.208 1.000 19945 96 1 1 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.804 -0.135 19945 97 1 1 . 1 1 19 19 ALA C C 19 178.888 178.888 179.621 -0.733 19945 98 1 1 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.431 0.224 19945 99 1 1 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.030 0.785 19945 100 1 1 . 1 1 19 19 ALA H H 19 8.304 8.304 8.341 -0.037 19945 101 1 1 . 1 1 20 20 LYS N N 20 116.460 116.460 119.036 -2.576 19945 102 1 1 . 1 1 20 20 LYS HA H 20 3.816 3.816 4.007 -0.191 19945 103 1 1 . 1 1 20 20 LYS C C 20 179.666 179.666 179.007 0.659 19945 104 1 1 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.421 0.401 19945 105 1 1 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.380 -0.282 19945 106 1 1 . 1 1 20 20 LYS H H 20 7.722 7.722 8.012 -0.290 19945 107 1 1 . 1 1 21 21 MET N N 21 123.880 123.880 118.752 5.128 19945 108 1 1 . 1 1 21 21 MET HA H 21 3.946 3.946 4.065 -0.119 19945 109 1 1 . 1 1 21 21 MET C C 21 179.435 179.435 178.880 0.555 19945 110 1 1 . 1 1 21 21 MET CA C 21 59.662 59.662 58.986 0.676 19945 111 1 1 . 1 1 21 21 MET CB C 21 34.262 34.262 32.553 1.709 19945 112 1 1 . 1 1 21 21 MET H H 21 8.336 8.336 8.151 0.185 19945 113 1 1 . 1 1 22 22 ILE N N 22 122.065 122.065 121.019 1.046 19945 114 1 1 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.528 -0.283 19945 115 1 1 . 1 1 22 22 ILE C C 22 177.592 177.592 177.574 0.018 19945 116 1 1 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.554 0.170 19945 117 1 1 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.678 -0.002 19945 118 1 1 . 1 1 22 22 ILE H H 22 8.500 8.500 8.276 0.224 19945 119 1 1 . 1 1 23 23 GLN N N 23 119.264 119.264 119.714 -0.450 19945 120 1 1 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.831 -0.387 19945 121 1 1 . 1 1 23 23 GLN C C 23 177.017 177.017 178.401 -1.384 19945 122 1 1 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.317 0.374 19945 123 1 1 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.666 -0.818 19945 124 1 1 . 1 1 23 23 GLN H H 23 7.985 7.985 8.307 -0.322 19945 125 1 1 . 1 1 24 24 LYS N N 24 118.970 118.970 117.544 1.426 19945 126 1 1 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.032 -0.112 19945 127 1 1 . 1 1 24 24 LYS C C 24 178.427 178.427 179.404 -0.977 19945 128 1 1 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.691 0.469 19945 129 1 1 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.915 0.449 19945 130 1 1 . 1 1 24 24 LYS H H 24 7.942 7.942 8.336 -0.394 19945 131 1 1 . 1 1 25 25 GLN N N 25 118.400 118.400 118.348 0.052 19945 132 1 1 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.096 -0.093 19945 133 1 1 . 1 1 25 25 GLN C C 25 178.226 178.226 178.073 0.153 19945 134 1 1 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.966 0.117 19945 135 1 1 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.842 0.068 19945 136 1 1 . 1 1 25 25 GLN H H 25 7.636 7.636 7.538 0.098 19945 137 1 1 . 1 1 26 26 LEU N N 26 119.080 119.080 116.666 2.414 19945 138 1 1 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.083 -0.064 19945 139 1 1 . 1 1 26 26 LEU C C 26 177.247 177.247 177.323 -0.076 19945 140 1 1 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.178 0.890 19945 141 1 1 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.682 0.467 19945 142 1 1 . 1 1 26 26 LEU H H 26 8.098 8.098 7.662 0.436 19945 143 1 1 . 1 1 27 27 GLY N N 27 107.750 107.750 104.521 3.229 19945 144 1 1 . 1 1 27 27 GLY C C 27 175.231 175.231 174.474 0.757 19945 145 1 1 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.473 -0.413 19945 146 1 1 . 1 1 27 27 GLY H H 27 8.050 8.050 7.859 0.191 19945 147 1 1 . 1 1 28 28 LYS N N 28 125.187 125.187 122.841 2.346 19945 148 1 1 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.162 0.061 19945 149 1 1 . 1 1 28 28 LYS C C 28 176.372 176.372 176.804 -0.432 19945 150 1 1 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.059 0.870 19945 151 1 1 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.222 -0.124 19945 152 1 1 . 1 1 28 28 LYS H H 28 8.786 8.786 8.562 0.224 19945 153 1 1 . 1 1 29 29 ASP N N 29 115.960 115.960 115.810 0.150 19945 154 1 1 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.549 0.026 19945 155 1 1 . 1 1 29 29 ASP C C 29 176.437 176.437 177.822 -1.385 19945 156 1 1 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.226 -1.016 19945 157 1 1 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.703 -0.901 19945 158 1 1 . 1 1 29 29 ASP H H 29 8.919 8.919 8.355 0.564 19945 159 1 1 . 1 1 30 30 VAL N N 30 120.609 120.609 118.000 2.609 19945 160 1 1 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.078 -0.022 19945 161 1 1 . 1 1 30 30 VAL C C 30 174.656 174.656 174.870 -0.214 19945 162 1 1 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.095 0.625 19945 163 1 1 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.853 -0.015 19945 164 1 1 . 1 1 30 30 VAL H H 30 7.573 7.573 7.646 -0.073 19945 165 1 1 . 1 1 31 31 ALA N N 31 123.100 123.100 119.928 3.172 19945 166 1 1 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.177 0.354 19945 167 1 1 . 1 1 31 31 ALA C C 31 175.174 175.174 174.779 0.395 19945 168 1 1 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.419 -0.257 19945 169 1 1 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.641 0.690 19945 170 1 1 . 1 1 31 31 ALA H H 31 7.951 7.951 8.132 -0.181 19945 171 1 1 . 1 1 32 32 ASP N N 32 121.576 121.576 119.437 2.139 19945 172 1 1 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.955 -0.086 19945 173 1 1 . 1 1 32 32 ASP C C 32 174.771 174.771 174.090 0.681 19945 174 1 1 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.552 0.860 19945 175 1 1 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.888 -1.101 19945 176 1 1 . 1 1 32 32 ASP H H 32 8.175 8.175 8.494 -0.319 19945 177 1 1 . 1 1 33 33 VAL N N 33 120.428 120.428 121.274 -0.846 19945 178 1 1 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.783 -0.126 19945 179 1 1 . 1 1 33 33 VAL C C 33 174.252 174.252 175.384 -1.132 19945 180 1 1 . 1 1 33 33 VAL CA C 33 61.303 61.303 60.938 0.366 19945 181 1 1 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.408 -0.533 19945 182 1 1 . 1 1 33 33 VAL H H 33 8.397 8.397 8.219 0.178 19945 183 1 1 . 1 1 34 34 HIS N N 34 125.285 125.285 124.243 1.042 19945 184 1 1 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.808 -0.255 19945 185 1 1 . 1 1 34 34 HIS C C 34 171.920 171.920 172.819 -0.899 19945 186 1 1 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.505 -0.934 19945 187 1 1 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.785 -0.365 19945 188 1 1 . 1 1 34 34 HIS H H 34 8.945 8.945 9.144 -0.199 19945 189 1 1 . 1 1 35 35 ASP N N 35 124.120 124.120 119.366 4.754 19945 190 1 1 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.872 -1.575 19945 191 1 1 . 1 1 35 35 ASP C C 35 179.780 179.780 176.568 3.212 19945 192 1 1 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.222 -0.466 19945 193 1 1 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.322 -1.926 19945 194 1 1 . 1 1 35 35 ASP H H 35 8.589 8.589 8.623 -0.034 19945 195 1 1 . 1 1 36 36 ILE N N 36 106.681 106.681 126.597 -19.916 19945 196 1 1 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.533 0.021 19945 197 1 1 . 1 1 36 36 ILE C C 36 175.404 175.404 177.145 -1.741 19945 198 1 1 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.416 -3.066 19945 199 1 1 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.042 2.229 19945 200 1 1 . 1 1 36 36 ILE H H 36 9.705 9.705 8.874 0.831 19945 201 1 1 . 1 1 37 37 ALA N N 37 123.095 123.095 123.905 -0.810 19945 202 1 1 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.987 0.102 19945 203 1 1 . 1 1 37 37 ALA C C 37 178.140 178.140 178.400 -0.260 19945 204 1 1 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.911 -1.296 19945 205 1 1 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.655 0.691 19945 206 1 1 . 1 1 37 37 ALA H H 37 8.261 8.261 8.558 -0.297 19945 207 1 1 . 1 1 38 38 LYS N N 38 115.312 115.312 115.148 0.164 19945 208 1 1 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.375 0.236 19945 209 1 1 . 1 1 38 38 LYS C C 38 176.498 176.498 176.844 -0.346 19945 210 1 1 . 1 1 38 38 LYS CA C 38 54.147 54.147 55.717 -1.570 19945 211 1 1 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.312 1.114 19945 212 1 1 . 1 1 38 38 LYS H H 38 7.437 7.437 7.637 -0.200 19945 213 1 1 . 1 1 39 39 SER N N 39 115.623 115.623 117.148 -1.525 19945 214 1 1 . 1 1 39 39 SER HA H 39 5.019 5.019 4.613 0.406 19945 215 1 1 . 1 1 39 39 SER C C 39 171.402 171.402 173.848 -2.446 19945 216 1 1 . 1 1 39 39 SER CA C 39 58.929 58.929 58.796 0.133 19945 217 1 1 . 1 1 39 39 SER CB C 39 65.538 65.538 64.264 1.274 19945 218 1 1 . 1 1 39 39 SER H H 39 7.051 7.051 7.776 -0.725 19945 219 1 1 . 1 1 40 40 SER N N 40 118.860 118.860 115.741 3.119 19945 220 1 1 . 1 1 40 40 SER HA H 40 5.025 5.025 4.910 0.115 19945 221 1 1 . 1 1 40 40 SER C C 40 174.741 174.741 174.850 -0.109 19945 222 1 1 . 1 1 40 40 SER CA C 40 56.003 56.003 56.797 -0.794 19945 223 1 1 . 1 1 40 40 SER CB C 40 67.416 67.416 65.991 1.425 19945 224 1 1 . 1 1 40 40 SER H H 40 9.377 9.377 8.121 1.256 19945 225 1 1 . 1 1 41 41 LYS N N 41 122.504 122.504 122.178 0.326 19945 226 1 1 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.047 -0.309 19945 227 1 1 . 1 1 41 41 LYS C C 41 177.391 177.391 177.685 -0.294 19945 228 1 1 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.291 1.682 19945 229 1 1 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.144 1.163 19945 230 1 1 . 1 1 41 41 LYS H H 41 9.098 9.098 8.820 0.278 19945 231 1 1 . 1 1 42 42 GLU N N 42 115.836 115.836 118.101 -2.265 19945 232 1 1 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.091 0.037 19945 233 1 1 . 1 1 42 42 GLU C C 42 178.773 178.773 178.151 0.622 19945 234 1 1 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.951 1.041 19945 235 1 1 . 1 1 42 42 GLU CB C 42 28.644 28.644 28.738 -0.094 19945 236 1 1 . 1 1 42 42 GLU H H 42 8.839 8.839 8.577 0.262 19945 237 1 1 . 1 1 43 43 ASP N N 43 119.589 119.589 119.656 -0.067 19945 238 1 1 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.381 0.105 19945 239 1 1 . 1 1 43 43 ASP C C 43 177.564 177.564 177.048 0.516 19945 240 1 1 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.393 1.208 19945 241 1 1 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.787 0.019 19945 242 1 1 . 1 1 43 43 ASP H H 43 7.794 7.794 7.933 -0.139 19945 243 1 1 . 1 1 44 44 LEU N N 44 118.745 118.745 118.311 0.434 19945 244 1 1 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.314 -0.343 19945 245 1 1 . 1 1 44 44 LEU C C 44 178.600 178.600 178.677 -0.077 19945 246 1 1 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.266 2.616 19945 247 1 1 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.594 0.130 19945 248 1 1 . 1 1 44 44 LEU H H 44 6.854 6.854 7.317 -0.463 19945 249 1 1 . 1 1 45 45 GLU N N 45 114.280 114.280 119.632 -5.352 19945 250 1 1 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.909 -0.282 19945 251 1 1 . 1 1 45 45 GLU C C 45 176.988 176.988 178.304 -1.316 19945 252 1 1 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.788 -0.112 19945 253 1 1 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.268 0.970 19945 254 1 1 . 1 1 45 45 GLU H H 45 7.571 7.571 7.467 0.104 19945 255 1 1 . 1 1 46 46 ALA N N 46 118.860 118.860 121.288 -2.428 19945 256 1 1 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.001 0.037 19945 257 1 1 . 1 1 46 46 ALA C C 46 176.901 176.901 177.838 -0.937 19945 258 1 1 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.450 -0.131 19945 259 1 1 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.850 0.231 19945 260 1 1 . 1 1 46 46 ALA H H 46 7.026 7.026 7.453 -0.427 19945 261 1 1 . 1 1 47 47 TYR N N 47 115.674 115.674 116.128 -0.454 19945 262 1 1 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.515 0.216 19945 263 1 1 . 1 1 47 47 TYR C C 47 175.807 175.807 175.467 0.340 19945 264 1 1 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.663 -1.056 19945 265 1 1 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.824 1.838 19945 266 1 1 . 1 1 47 47 TYR H H 47 7.277 7.277 7.410 -0.133 19945 267 1 1 . 1 1 48 48 ASP N N 48 121.598 121.598 120.342 1.256 19945 268 1 1 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.704 0.204 19945 269 1 1 . 1 1 48 48 ASP C C 48 175.030 175.030 176.304 -1.274 19945 270 1 1 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.754 -0.546 19945 271 1 1 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.558 -0.912 19945 272 1 1 . 1 1 48 48 ASP H H 48 9.546 9.546 8.327 1.219 19945 273 1 1 . 1 1 49 49 ILE N N 49 119.608 119.608 118.950 0.658 19945 274 1 1 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.121 0.173 19945 275 1 1 . 1 1 49 49 ILE C C 49 175.059 175.059 174.593 0.466 19945 276 1 1 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.608 -0.078 19945 277 1 1 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.507 -0.438 19945 278 1 1 . 1 1 49 49 ILE H H 49 7.331 7.331 7.941 -0.610 19945 279 1 1 . 1 1 50 50 LEU N N 50 127.901 127.901 126.639 1.262 19945 280 1 1 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.410 0.250 19945 281 1 1 . 1 1 50 50 LEU C C 50 174.598 174.598 175.266 -0.668 19945 282 1 1 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.870 -1.051 19945 283 1 1 . 1 1 50 50 LEU CB C 50 48.037 48.037 45.650 2.388 19945 284 1 1 . 1 1 50 50 LEU H H 50 9.095 9.095 9.250 -0.155 19945 285 1 1 . 1 1 51 51 LEU N N 51 123.440 123.440 125.478 -2.038 19945 286 1 1 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.396 0.636 19945 287 1 1 . 1 1 51 51 LEU C C 51 175.894 175.894 175.574 0.320 19945 288 1 1 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.166 -0.855 19945 289 1 1 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.460 0.858 19945 290 1 1 . 1 1 51 51 LEU H H 51 9.275 9.275 9.466 -0.191 19945 291 1 1 . 1 1 52 52 LEU N N 52 123.320 123.320 125.490 -2.170 19945 292 1 1 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.379 0.277 19945 293 1 1 . 1 1 52 52 LEU C C 52 173.763 173.763 176.526 -2.763 19945 294 1 1 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.629 -0.752 19945 295 1 1 . 1 1 52 52 LEU CB C 52 41.486 41.486 42.694 -1.208 19945 296 1 1 . 1 1 52 52 LEU H H 52 9.024 9.024 9.194 -0.170 19945 297 1 1 . 1 1 53 53 GLY N N 53 110.739 110.739 111.755 -1.016 19945 298 1 1 . 1 1 53 53 GLY C C 53 174.530 174.530 171.600 2.930 19945 299 1 1 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.011 -0.022 19945 300 1 1 . 1 1 53 53 GLY H H 53 9.283 9.283 9.198 0.085 19945 301 1 1 . 1 1 54 54 ILE N N 54 126.032 126.032 122.784 3.248 19945 302 1 1 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.119 1.087 19945 303 1 1 . 1 1 54 54 ILE CA C 54 56.007 56.007 57.168 -1.161 19945 304 1 1 . 1 1 54 54 ILE CB C 54 42.990 42.990 42.175 0.815 19945 305 1 1 . 1 1 54 54 ILE H H 54 9.136 9.136 8.586 0.550 19945 306 1 1 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.626 0.691 19945 307 1 1 . 1 1 55 55 PRO C C 55 174.771 174.771 176.261 -1.490 19945 308 1 1 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.932 -0.184 19945 309 1 1 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.157 -0.143 19945 310 1 1 . 1 1 56 56 THR N N 56 113.710 113.710 115.374 -1.664 19945 311 1 1 . 1 1 56 56 THR HA H 56 4.582 4.582 5.052 -0.470 19945 312 1 1 . 1 1 56 56 THR C C 56 171.719 171.719 173.514 -1.795 19945 313 1 1 . 1 1 56 56 THR CA C 56 62.383 62.383 61.805 0.578 19945 314 1 1 . 1 1 56 56 THR CB C 56 69.692 69.692 71.462 -1.770 19945 315 1 1 . 1 1 56 56 THR H H 56 6.599 6.599 7.671 -1.072 19945 316 1 1 . 1 1 57 57 TRP N N 57 130.050 130.050 124.092 5.958 19945 317 1 1 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.595 -1.969 19945 318 1 1 . 1 1 57 57 TRP C C 57 172.611 172.611 174.806 -2.195 19945 319 1 1 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.628 -0.353 19945 320 1 1 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.922 1.832 19945 321 1 1 . 1 1 57 57 TRP H H 57 8.865 8.865 8.741 0.124 19945 322 1 1 . 1 1 58 58 TYR N N 58 112.793 112.793 119.796 -7.003 19945 323 1 1 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.954 0.262 19945 324 1 1 . 1 1 58 58 TYR C C 58 173.619 173.619 174.857 -1.238 19945 325 1 1 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.479 0.721 19945 326 1 1 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.276 -0.076 19945 327 1 1 . 1 1 58 58 TYR H H 58 5.730 5.730 8.165 -2.435 19945 328 1 1 . 1 1 59 59 TYR N N 59 112.220 112.220 115.926 -3.706 19945 329 1 1 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.794 -0.399 19945 330 1 1 . 1 1 59 59 TYR C C 59 175.865 175.865 174.457 1.408 19945 331 1 1 . 1 1 59 59 TYR CA C 59 59.460 59.460 58.710 0.750 19945 332 1 1 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.427 -1.817 19945 333 1 1 . 1 1 59 59 TYR H H 59 7.661 7.661 7.715 -0.054 19945 334 1 1 . 1 1 60 60 GLY N N 60 104.550 104.550 103.804 0.746 19945 335 1 1 . 1 1 60 60 GLY C C 60 174.483 174.483 174.275 0.208 19945 336 1 1 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.036 1.142 19945 337 1 1 . 1 1 60 60 GLY H H 60 8.142 8.142 7.995 0.147 19945 338 1 1 . 1 1 61 61 GLU N N 61 120.991 120.991 121.105 -0.114 19945 339 1 1 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.497 -0.059 19945 340 1 1 . 1 1 61 61 GLU C C 61 175.548 175.548 175.635 -0.087 19945 341 1 1 . 1 1 61 61 GLU CA C 61 55.476 55.476 55.587 -0.112 19945 342 1 1 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.583 -1.083 19945 343 1 1 . 1 1 61 61 GLU H H 61 8.307 8.307 8.282 0.025 19945 344 1 1 . 1 1 62 62 ALA N N 62 122.750 122.750 127.760 -5.010 19945 345 1 1 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.693 -0.487 19945 346 1 1 . 1 1 62 62 ALA C C 62 176.671 176.671 177.160 -0.489 19945 347 1 1 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.227 0.583 19945 348 1 1 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.484 0.722 19945 349 1 1 . 1 1 62 62 ALA H H 62 8.722 8.722 8.391 0.331 19945 350 1 1 . 1 1 63 63 GLN N N 63 120.579 120.579 120.894 -0.315 19945 351 1 1 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.163 -0.277 19945 352 1 1 . 1 1 63 63 GLN C C 63 176.757 176.757 177.302 -0.545 19945 353 1 1 . 1 1 63 63 GLN CA C 63 57.609 57.609 56.046 1.563 19945 354 1 1 . 1 1 63 63 GLN H H 63 6.302 6.302 8.832 -2.530 19945 355 1 1 . 1 1 64 64 CYS N N 64 125.487 125.487 122.076 3.411 19945 356 1 1 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.079 0.032 19945 357 1 1 . 1 1 64 64 CYS C C 64 174.972 174.972 176.496 -1.524 19945 358 1 1 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.152 -0.663 19945 359 1 1 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.629 -0.047 19945 360 1 1 . 1 1 64 64 CYS H H 64 9.091 9.091 8.989 0.102 19945 361 1 1 . 1 1 65 65 ASP N N 65 120.298 120.298 119.342 0.956 19945 362 1 1 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.386 0.013 19945 363 1 1 . 1 1 65 65 ASP C C 65 179.000 179.000 178.271 0.729 19945 364 1 1 . 1 1 65 65 ASP CA C 65 58.132 58.132 58.078 0.054 19945 365 1 1 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.528 0.695 19945 366 1 1 . 1 1 65 65 ASP H H 65 7.093 7.093 8.550 -1.457 19945 367 1 1 . 1 1 66 66 TRP N N 66 122.608 122.608 120.404 2.204 19945 368 1 1 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.146 0.070 19945 369 1 1 . 1 1 66 66 TRP C C 66 176.930 176.930 177.590 -0.660 19945 370 1 1 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.823 1.700 19945 371 1 1 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.585 0.376 19945 372 1 1 . 1 1 66 66 TRP H H 66 7.394 7.394 7.678 -0.284 19945 373 1 1 . 1 1 67 67 ASP N N 67 118.860 118.860 118.624 0.236 19945 374 1 1 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.875 -0.350 19945 375 1 1 . 1 1 67 67 ASP C C 67 179.579 179.579 177.992 1.587 19945 376 1 1 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.208 0.133 19945 377 1 1 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.841 1.559 19945 378 1 1 . 1 1 67 67 ASP H H 67 8.087 8.087 8.070 0.017 19945 379 1 1 . 1 1 68 68 ASP N N 68 116.220 116.220 117.934 -1.714 19945 380 1 1 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.468 -0.112 19945 381 1 1 . 1 1 68 68 ASP C C 68 176.873 176.873 177.150 -0.277 19945 382 1 1 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.204 0.051 19945 383 1 1 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.173 -0.366 19945 384 1 1 . 1 1 68 68 ASP H H 68 8.056 8.056 8.173 -0.117 19945 385 1 1 . 1 1 69 69 PHE N N 69 120.493 120.493 118.635 1.858 19945 386 1 1 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.302 0.061 19945 387 1 1 . 1 1 69 69 PHE C C 69 177.103 177.103 176.216 0.887 19945 388 1 1 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.337 -0.408 19945 389 1 1 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.588 1.942 19945 390 1 1 . 1 1 69 69 PHE H H 69 7.659 7.659 7.360 0.299 19945 391 1 1 . 1 1 70 70 PHE N N 70 122.293 122.293 119.823 2.470 19945 392 1 1 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.284 0.734 19945 393 1 1 . 1 1 70 70 PHE C C 70 174.396 174.396 174.617 -0.221 19945 394 1 1 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.897 -2.774 19945 395 1 1 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.470 -0.715 19945 396 1 1 . 1 1 70 70 PHE H H 70 8.197 8.197 8.034 0.163 19945 397 1 1 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.537 -0.139 19945 398 1 1 . 1 1 71 71 PRO C C 71 179.118 179.118 177.379 1.739 19945 399 1 1 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.636 1.731 19945 400 1 1 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.137 -0.206 19945 401 1 1 . 1 1 72 72 THR N N 72 114.461 114.461 113.069 1.392 19945 402 1 1 . 1 1 72 72 THR HA H 72 3.816 3.816 4.177 -0.361 19945 403 1 1 . 1 1 72 72 THR C C 72 176.498 176.498 175.989 0.509 19945 404 1 1 . 1 1 72 72 THR CA C 72 65.803 65.803 63.842 1.961 19945 405 1 1 . 1 1 72 72 THR CB C 72 67.203 67.203 68.940 -1.737 19945 406 1 1 . 1 1 72 72 THR H H 72 7.534 7.534 7.622 -0.088 19945 407 1 1 . 1 1 73 73 LEU N N 73 124.812 124.812 123.951 0.861 19945 408 1 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.086 0.004 19945 409 1 1 . 1 1 73 73 LEU C C 73 177.996 177.996 177.958 0.038 19945 410 1 1 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.053 0.097 19945 411 1 1 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.274 1.512 19945 412 1 1 . 1 1 73 73 LEU H H 73 8.123 8.123 8.051 0.072 19945 413 1 1 . 1 1 74 74 GLU N N 74 111.877 111.877 115.983 -4.106 19945 414 1 1 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.160 -0.335 19945 415 1 1 . 1 1 74 74 GLU C C 74 176.930 176.930 177.404 -0.474 19945 416 1 1 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.356 -0.681 19945 417 1 1 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.890 1.131 19945 418 1 1 . 1 1 74 74 GLU H H 74 7.933 7.933 8.292 -0.359 19945 419 1 1 . 1 1 75 75 GLU N N 75 116.571 116.571 117.769 -1.198 19945 420 1 1 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.461 -0.114 19945 421 1 1 . 1 1 75 75 GLU C C 75 177.045 177.045 176.028 1.017 19945 422 1 1 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.316 0.710 19945 423 1 1 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.805 -0.296 19945 424 1 1 . 1 1 75 75 GLU H H 75 7.659 7.659 8.047 -0.388 19945 425 1 1 . 1 1 76 76 ILE N N 76 123.080 123.080 120.824 2.256 19945 426 1 1 . 1 1 76 76 ILE HA H 76 3.777 3.777 4.057 -0.280 19945 427 1 1 . 1 1 76 76 ILE C C 76 174.656 174.656 175.387 -0.731 19945 428 1 1 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.091 -0.017 19945 429 1 1 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.931 0.074 19945 430 1 1 . 1 1 76 76 ILE H H 76 7.468 7.468 7.366 0.102 19945 431 1 1 . 1 1 77 77 ASP N N 77 126.540 126.540 125.506 1.034 19945 432 1 1 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.531 0.282 19945 433 1 1 . 1 1 77 77 ASP C C 77 176.614 176.614 175.157 1.457 19945 434 1 1 . 1 1 77 77 ASP CA C 77 53.141 53.141 54.258 -1.117 19945 435 1 1 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.157 -0.292 19945 436 1 1 . 1 1 77 77 ASP H H 77 8.605 8.605 8.620 -0.015 19945 437 1 1 . 1 1 78 78 PHE N N 78 124.583 124.583 124.645 -0.062 19945 438 1 1 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.593 -0.433 19945 439 1 1 . 1 1 78 78 PHE C C 78 175.347 175.347 175.635 -0.288 19945 440 1 1 . 1 1 78 78 PHE CA C 78 59.142 59.142 57.418 1.724 19945 441 1 1 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.979 0.189 19945 442 1 1 . 1 1 78 78 PHE H H 78 8.053 8.053 8.046 0.007 19945 443 1 1 . 1 1 79 79 ASN N N 79 121.321 121.321 120.469 0.852 19945 444 1 1 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.522 -0.005 19945 445 1 1 . 1 1 79 79 ASN C C 79 176.815 176.815 176.432 0.383 19945 446 1 1 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.257 1.195 19945 447 1 1 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.080 0.659 19945 448 1 1 . 1 1 79 79 ASN H H 79 8.695 8.695 8.307 0.388 19945 449 1 1 . 1 1 80 80 GLY N N 80 114.150 114.150 112.805 1.345 19945 450 1 1 . 1 1 80 80 GLY C C 80 174.195 174.195 174.659 -0.464 19945 451 1 1 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.514 0.133 19945 452 1 1 . 1 1 80 80 GLY H H 80 8.646 8.646 8.485 0.161 19945 453 1 1 . 1 1 81 81 LYS N N 81 119.318 119.318 121.322 -2.004 19945 454 1 1 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.445 0.592 19945 455 1 1 . 1 1 81 81 LYS C C 81 176.268 176.268 176.456 -0.188 19945 456 1 1 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.448 -0.452 19945 457 1 1 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.027 0.928 19945 458 1 1 . 1 1 81 81 LYS H H 81 8.295 8.295 7.825 0.470 19945 459 1 1 . 1 1 82 82 LEU N N 82 127.000 127.000 125.408 1.592 19945 460 1 1 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.946 0.284 19945 461 1 1 . 1 1 82 82 LEU C C 82 175.347 175.347 175.887 -0.540 19945 462 1 1 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.808 -1.004 19945 463 1 1 . 1 1 82 82 LEU CB C 82 44.151 44.151 42.980 1.171 19945 464 1 1 . 1 1 82 82 LEU H H 82 8.407 8.407 8.734 -0.327 19945 465 1 1 . 1 1 83 83 VAL N N 83 121.665 121.665 123.615 -1.950 19945 466 1 1 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.413 0.427 19945 467 1 1 . 1 1 83 83 VAL C C 83 173.417 173.417 174.283 -0.866 19945 468 1 1 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.615 -1.413 19945 469 1 1 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.480 0.868 19945 470 1 1 . 1 1 83 83 VAL H H 83 8.960 8.960 9.205 -0.245 19945 471 1 1 . 1 1 84 84 ALA N N 84 128.017 128.017 127.939 0.078 19945 472 1 1 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.670 -0.337 19945 473 1 1 . 1 1 84 84 ALA C C 84 175.231 175.231 175.704 -0.473 19945 474 1 1 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.861 0.568 19945 475 1 1 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.109 1.019 19945 476 1 1 . 1 1 84 84 ALA H H 84 9.021 9.021 9.166 -0.145 19945 477 1 1 . 1 1 85 85 LEU N N 85 124.220 124.220 120.964 3.256 19945 478 1 1 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.614 -0.002 19945 479 1 1 . 1 1 85 85 LEU C C 85 174.454 174.454 175.965 -1.511 19945 480 1 1 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.076 -0.103 19945 481 1 1 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.140 0.772 19945 482 1 1 . 1 1 85 85 LEU H H 85 11.134 11.134 9.091 2.043 19945 483 1 1 . 1 1 86 86 PHE N N 86 114.461 114.461 116.497 -2.036 19945 484 1 1 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.344 -0.122 19945 485 1 1 . 1 1 86 86 PHE C C 86 173.619 173.619 173.889 -0.270 19945 486 1 1 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.376 -0.698 19945 487 1 1 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.082 0.898 19945 488 1 1 . 1 1 86 86 PHE H H 86 8.829 8.829 8.121 0.708 19945 489 1 1 . 1 1 87 87 GLY N N 87 104.437 104.437 105.447 -1.010 19945 490 1 1 . 1 1 87 87 GLY C C 87 170.423 170.423 172.076 -1.653 19945 491 1 1 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.313 0.617 19945 492 1 1 . 1 1 87 87 GLY H H 87 8.496 8.496 8.326 0.170 19945 493 1 1 . 1 1 88 88 CYS N N 88 114.166 114.166 117.621 -3.455 19945 494 1 1 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.456 0.547 19945 495 1 1 . 1 1 88 88 CYS C C 88 174.425 174.425 173.645 0.780 19945 496 1 1 . 1 1 88 88 CYS CA C 88 56.538 56.538 56.273 0.265 19945 497 1 1 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.926 -0.625 19945 498 1 1 . 1 1 88 88 CYS H H 88 5.354 5.354 8.325 -2.971 19945 499 1 1 . 1 1 89 89 GLY N N 89 109.463 109.463 108.078 1.385 19945 500 1 1 . 1 1 89 89 GLY C C 89 173.187 173.187 171.270 1.917 19945 501 1 1 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.034 1.409 19945 502 1 1 . 1 1 89 89 GLY H H 89 8.404 8.404 7.997 0.407 19945 503 1 1 . 1 1 90 90 ASP N N 90 123.090 123.090 118.139 4.951 19945 504 1 1 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.005 0.794 19945 505 1 1 . 1 1 90 90 ASP C C 90 176.095 176.095 175.314 0.781 19945 506 1 1 . 1 1 90 90 ASP CA C 90 52.553 52.553 52.901 -0.348 19945 507 1 1 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.401 -0.146 19945 508 1 1 . 1 1 90 90 ASP H H 90 8.698 8.698 8.216 0.482 19945 509 1 1 . 1 1 91 91 GLN N N 91 123.780 123.780 122.275 1.505 19945 510 1 1 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.582 -0.886 19945 511 1 1 . 1 1 91 91 GLN C C 91 173.639 173.639 175.334 -1.695 19945 512 1 1 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.570 1.490 19945 513 1 1 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.737 0.704 19945 514 1 1 . 1 1 91 91 GLN H H 91 9.675 9.675 8.311 1.364 19945 515 1 1 . 1 1 92 92 GLU N N 92 118.631 118.631 123.247 -4.616 19945 516 1 1 . 1 1 92 92 GLU HA H 92 4.591 4.591 3.991 0.600 19945 517 1 1 . 1 1 92 92 GLU C C 92 177.247 177.247 177.177 0.070 19945 518 1 1 . 1 1 92 92 GLU CA C 92 57.336 57.336 59.516 -2.180 19945 519 1 1 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.522 1.248 19945 520 1 1 . 1 1 92 92 GLU H H 92 8.396 8.396 8.236 0.160 19945 521 1 1 . 1 1 93 93 ASP N N 93 120.889 120.889 117.546 3.343 19945 522 1 1 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.580 -0.298 19945 523 1 1 . 1 1 93 93 ASP C C 93 175.986 175.986 177.390 -1.404 19945 524 1 1 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.425 -0.000 19945 525 1 1 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.078 -0.828 19945 526 1 1 . 1 1 93 93 ASP H H 93 7.779 7.779 8.445 -0.666 19945 527 1 1 . 1 1 94 94 TYR N N 94 117.028 117.028 120.340 -3.312 19945 528 1 1 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.884 -0.199 19945 529 1 1 . 1 1 94 94 TYR C C 94 175.519 175.519 175.890 -0.371 19945 530 1 1 . 1 1 94 94 TYR CA C 94 56.379 56.379 55.989 0.390 19945 531 1 1 . 1 1 94 94 TYR CB C 94 36.842 36.842 35.934 0.908 19945 532 1 1 . 1 1 94 94 TYR H H 94 6.693 6.693 7.671 -0.978 19945 533 1 1 . 1 1 95 95 ALA N N 95 121.950 121.950 122.692 -0.742 19945 534 1 1 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.262 -0.106 19945 535 1 1 . 1 1 95 95 ALA C C 95 179.723 179.723 177.918 1.805 19945 536 1 1 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.652 1.271 19945 537 1 1 . 1 1 95 95 ALA CB C 95 20.555 20.555 19.185 1.370 19945 538 1 1 . 1 1 95 95 ALA H H 95 6.962 6.962 7.750 -0.788 19945 539 1 1 . 1 1 96 96 GLU N N 96 115.884 115.884 114.482 1.402 19945 540 1 1 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.713 -0.407 19945 541 1 1 . 1 1 96 96 GLU C C 96 174.684 174.684 176.007 -1.323 19945 542 1 1 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.062 0.923 19945 543 1 1 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.793 -0.617 19945 544 1 1 . 1 1 96 96 GLU H H 96 9.327 9.327 8.565 0.762 19945 545 1 1 . 1 1 97 97 TYR N N 97 121.836 121.836 117.689 4.147 19945 546 1 1 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.834 0.575 19945 547 1 1 . 1 1 97 97 TYR C C 97 179.953 179.953 174.973 4.980 19945 548 1 1 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.284 0.158 19945 549 1 1 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.103 2.189 19945 550 1 1 . 1 1 97 97 TYR H H 97 8.175 8.175 8.001 0.174 19945 551 1 1 . 1 1 98 98 PHE N N 98 124.580 124.580 123.446 1.134 19945 552 1 1 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.509 0.628 19945 553 1 1 . 1 1 98 98 PHE C C 98 174.742 174.742 175.592 -0.850 19945 554 1 1 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.299 -0.636 19945 555 1 1 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.292 -0.637 19945 556 1 1 . 1 1 98 98 PHE H H 98 7.889 7.889 7.929 -0.040 19945 557 1 1 . 1 1 99 99 CYS N N 99 120.329 120.329 123.384 -3.055 19945 558 1 1 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.684 -0.032 19945 559 1 1 . 1 1 99 99 CYS C C 99 175.087 175.087 175.457 -0.370 19945 560 1 1 . 1 1 99 99 CYS CA C 99 62.876 62.876 59.978 2.898 19945 561 1 1 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.302 -1.302 19945 562 1 1 . 1 1 99 99 CYS H H 99 8.617 8.617 8.597 0.020 19945 563 1 1 . 1 1 100 100 ASP N N 100 116.705 116.705 121.899 -5.194 19945 564 1 1 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.276 -0.331 19945 565 1 1 . 1 1 100 100 ASP C C 100 178.888 178.888 177.090 1.798 19945 566 1 1 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.567 0.561 19945 567 1 1 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.174 0.776 19945 568 1 1 . 1 1 100 100 ASP H H 100 7.104 7.104 7.966 -0.862 19945 569 1 1 . 1 1 101 101 ALA N N 101 118.631 118.631 121.358 -2.727 19945 570 1 1 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.237 -0.086 19945 571 1 1 . 1 1 101 101 ALA C C 101 178.600 178.600 179.432 -0.832 19945 572 1 1 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.016 0.382 19945 573 1 1 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.570 0.240 19945 574 1 1 . 1 1 101 101 ALA H H 101 8.716 8.716 7.667 1.049 19945 575 1 1 . 1 1 102 102 LEU N N 102 115.083 115.083 119.293 -4.210 19945 576 1 1 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.886 -0.272 19945 577 1 1 . 1 1 102 102 LEU C C 102 179.573 179.573 179.004 0.569 19945 578 1 1 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.528 0.316 19945 579 1 1 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.486 1.228 19945 580 1 1 . 1 1 102 102 LEU H H 102 7.171 7.171 7.921 -0.750 19945 581 1 1 . 1 1 103 103 GLY N N 103 104.501 104.501 105.149 -0.648 19945 582 1 1 . 1 1 103 103 GLY C C 103 175.145 175.145 175.377 -0.232 19945 583 1 1 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.353 -0.645 19945 584 1 1 . 1 1 103 103 GLY H H 103 7.365 7.365 8.258 -0.893 19945 585 1 1 . 1 1 104 104 THR N N 104 118.860 118.860 118.917 -0.057 19945 586 1 1 . 1 1 104 104 THR HA H 104 3.737 3.737 3.797 -0.060 19945 587 1 1 . 1 1 104 104 THR C C 104 176.354 176.354 176.535 -0.181 19945 588 1 1 . 1 1 104 104 THR CA C 104 65.799 65.799 66.382 -0.583 19945 589 1 1 . 1 1 104 104 THR CB C 104 67.961 67.961 68.537 -0.577 19945 590 1 1 . 1 1 104 104 THR H H 104 7.343 7.343 7.385 -0.042 19945 591 1 1 . 1 1 105 105 ILE N N 105 118.663 118.663 121.383 -2.720 19945 592 1 1 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.673 -0.169 19945 593 1 1 . 1 1 105 105 ILE C C 105 177.391 177.391 177.421 -0.030 19945 594 1 1 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.614 0.936 19945 595 1 1 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.786 -0.036 19945 596 1 1 . 1 1 105 105 ILE H H 105 7.589 7.589 7.267 0.322 19945 597 1 1 . 1 1 106 106 ARG N N 106 126.041 126.041 120.057 5.984 19945 598 1 1 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.908 -0.328 19945 599 1 1 . 1 1 106 106 ARG C C 106 176.614 176.614 178.189 -1.575 19945 600 1 1 . 1 1 106 106 ARG CA C 106 60.267 60.267 58.525 1.742 19945 601 1 1 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.556 -2.240 19945 602 1 1 . 1 1 106 106 ARG H H 106 7.307 7.307 8.170 -0.863 19945 603 1 1 . 1 1 107 107 ASP N N 107 117.480 117.480 117.333 0.147 19945 604 1 1 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.445 -0.097 19945 605 1 1 . 1 1 107 107 ASP C C 107 177.189 177.189 177.136 0.053 19945 606 1 1 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.672 -0.172 19945 607 1 1 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.856 -1.182 19945 608 1 1 . 1 1 107 107 ASP H H 107 8.202 8.202 8.121 0.081 19945 609 1 1 . 1 1 108 108 ILE N N 108 117.715 117.715 117.793 -0.078 19945 610 1 1 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.948 -0.092 19945 611 1 1 . 1 1 108 108 ILE C C 108 178.427 178.427 177.618 0.809 19945 612 1 1 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.429 0.548 19945 613 1 1 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.198 0.253 19945 614 1 1 . 1 1 108 108 ILE H H 108 7.107 7.107 7.365 -0.258 19945 615 1 1 . 1 1 109 109 ILE N N 109 111.534 111.534 117.329 -5.795 19945 616 1 1 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.269 0.466 19945 617 1 1 . 1 1 109 109 ILE C C 109 177.305 177.305 177.047 0.258 19945 618 1 1 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.282 0.323 19945 619 1 1 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.192 0.219 19945 620 1 1 . 1 1 109 109 ILE H H 109 7.501 7.501 7.975 -0.474 19945 621 1 1 . 1 1 110 110 GLU N N 110 127.123 127.123 122.786 4.337 19945 622 1 1 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.181 0.117 19945 623 1 1 . 1 1 110 110 GLU C C 110 177.391 177.391 176.954 0.437 19945 624 1 1 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.376 1.955 19945 625 1 1 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.273 -0.425 19945 626 1 1 . 1 1 110 110 GLU H H 110 8.867 8.867 7.940 0.927 19945 627 1 1 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.340 0.276 19945 628 1 1 . 1 1 111 111 PRO C C 111 177.417 177.417 178.258 -0.841 19945 629 1 1 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.694 0.541 19945 630 1 1 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.346 -0.311 19945 631 1 1 . 1 1 112 112 ARG N N 112 114.612 114.612 116.910 -2.298 19945 632 1 1 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.333 0.235 19945 633 1 1 . 1 1 112 112 ARG C C 112 175.792 175.792 176.490 -0.698 19945 634 1 1 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.690 0.052 19945 635 1 1 . 1 1 112 112 ARG CB C 112 30.504 30.504 30.288 0.216 19945 636 1 1 . 1 1 112 112 ARG H H 112 6.542 6.542 7.593 -1.051 19945 637 1 1 . 1 1 113 113 GLY N N 113 106.474 106.474 105.084 1.390 19945 638 1 1 . 1 1 113 113 GLY C C 113 174.347 174.347 173.854 0.493 19945 639 1 1 . 1 1 113 113 GLY CA C 113 45.640 45.640 44.862 0.777 19945 640 1 1 . 1 1 113 113 GLY H H 113 7.845 7.845 8.105 -0.260 19945 641 1 1 . 1 1 114 114 ALA N N 114 122.280 122.280 124.111 -1.831 19945 642 1 1 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.913 -0.634 19945 643 1 1 . 1 1 114 114 ALA C C 114 176.785 176.785 177.192 -0.407 19945 644 1 1 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.354 1.037 19945 645 1 1 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.696 -0.084 19945 646 1 1 . 1 1 114 114 ALA H H 114 7.535 7.535 8.022 -0.487 19945 647 1 1 . 1 1 115 115 THR N N 115 120.909 120.909 118.785 2.124 19945 648 1 1 . 1 1 115 115 THR HA H 115 4.478 4.478 4.693 -0.215 19945 649 1 1 . 1 1 115 115 THR C C 115 172.963 172.963 173.500 -0.537 19945 650 1 1 . 1 1 115 115 THR CA C 115 62.825 62.825 61.813 1.012 19945 651 1 1 . 1 1 115 115 THR CB C 115 69.501 69.501 69.913 -0.412 19945 652 1 1 . 1 1 115 115 THR H H 115 7.902 7.902 8.813 -0.911 19945 653 1 1 . 1 1 116 116 ILE N N 116 129.162 129.162 127.596 1.566 19945 654 1 1 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.052 0.245 19945 655 1 1 . 1 1 116 116 ILE C C 116 177.056 177.056 176.107 0.949 19945 656 1 1 . 1 1 116 116 ILE CA C 116 60.523 60.523 59.417 1.106 19945 657 1 1 . 1 1 116 116 ILE CB C 116 38.300 38.300 38.217 0.083 19945 658 1 1 . 1 1 116 116 ILE H H 116 8.784 8.784 8.676 0.108 19945 659 1 1 . 1 1 117 117 VAL N N 117 122.981 122.981 120.578 2.403 19945 660 1 1 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.784 -0.190 19945 661 1 1 . 1 1 117 117 VAL C C 117 175.190 175.190 175.637 -0.447 19945 662 1 1 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.588 -0.659 19945 663 1 1 . 1 1 117 117 VAL CB C 117 32.364 32.364 35.129 -2.765 19945 664 1 1 . 1 1 117 117 VAL H H 117 8.812 8.812 8.755 0.057 19945 665 1 1 . 1 1 118 118 GLY N N 118 108.558 108.558 108.226 0.332 19945 666 1 1 . 1 1 118 118 GLY C C 118 175.792 175.792 174.542 1.250 19945 667 1 1 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.377 2.369 19945 668 1 1 . 1 1 118 118 GLY H H 118 9.297 9.297 9.079 0.218 19945 669 1 1 . 1 1 119 119 HIS N N 119 118.402 118.402 116.968 1.434 19945 670 1 1 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.940 -0.168 19945 671 1 1 . 1 1 119 119 HIS C C 119 175.866 175.866 174.139 1.727 19945 672 1 1 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.540 0.062 19945 673 1 1 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.698 -1.842 19945 674 1 1 . 1 1 119 119 HIS H H 119 8.901 8.901 8.066 0.835 19945 675 1 1 . 1 1 120 120 TRP N N 120 124.300 124.300 122.277 2.023 19945 676 1 1 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.141 1.152 19945 677 1 1 . 1 1 120 120 TRP C C 120 173.113 173.113 173.808 -0.695 19945 678 1 1 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.058 -0.554 19945 679 1 1 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.233 2.053 19945 680 1 1 . 1 1 120 120 TRP H H 120 8.455 8.455 9.018 -0.563 19945 681 1 1 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.784 -0.187 19945 682 1 1 . 1 1 121 121 PRO C C 121 176.243 176.243 176.829 -0.586 19945 683 1 1 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.890 0.560 19945 684 1 1 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.476 -0.379 19945 685 1 1 . 1 1 122 122 THR N N 122 110.568 110.568 112.987 -2.419 19945 686 1 1 . 1 1 122 122 THR HA H 122 4.232 4.232 4.230 0.002 19945 687 1 1 . 1 1 122 122 THR C C 122 176.424 176.424 175.816 0.608 19945 688 1 1 . 1 1 122 122 THR CA C 122 62.079 62.079 62.662 -0.583 19945 689 1 1 . 1 1 122 122 THR CB C 122 68.758 68.758 69.225 -0.467 19945 690 1 1 . 1 1 122 122 THR H H 122 7.560 7.560 8.356 -0.796 19945 691 1 1 . 1 1 123 123 ALA N N 123 126.038 126.038 122.942 3.096 19945 692 1 1 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.959 0.310 19945 693 1 1 . 1 1 123 123 ALA C C 123 178.862 178.862 177.468 1.394 19945 694 1 1 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.587 1.294 19945 695 1 1 . 1 1 123 123 ALA CB C 123 18.284 18.284 16.970 1.314 19945 696 1 1 . 1 1 123 123 ALA H H 123 7.144 7.144 7.984 -0.840 19945 697 1 1 . 1 1 124 124 GLY N N 124 111.468 111.468 105.618 5.850 19945 698 1 1 . 1 1 124 124 GLY C C 124 173.775 173.775 174.169 -0.394 19945 699 1 1 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.748 0.633 19945 700 1 1 . 1 1 124 124 GLY H H 124 9.058 9.058 7.801 1.257 19945 701 1 1 . 1 1 125 125 TYR N N 125 119.088 119.088 122.381 -3.293 19945 702 1 1 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.247 0.695 19945 703 1 1 . 1 1 125 125 TYR C C 125 175.581 175.581 175.863 -0.282 19945 704 1 1 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.359 -2.597 19945 705 1 1 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.182 1.368 19945 706 1 1 . 1 1 125 125 TYR H H 125 8.008 8.008 8.239 -0.231 19945 707 1 1 . 1 1 126 126 HIS N N 126 121.799 121.799 126.616 -4.817 19945 708 1 1 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.233 0.780 19945 709 1 1 . 1 1 126 126 HIS C C 126 171.969 171.969 173.585 -1.616 19945 710 1 1 . 1 1 126 126 HIS CA C 126 54.147 54.147 55.925 -1.778 19945 711 1 1 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.877 -1.490 19945 712 1 1 . 1 1 126 126 HIS H H 126 9.512 9.512 8.007 1.505 19945 713 1 1 . 1 1 127 127 PHE N N 127 117.258 117.258 116.996 0.262 19945 714 1 1 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.355 0.568 19945 715 1 1 . 1 1 127 127 PHE C C 127 172.722 172.722 176.501 -3.779 19945 716 1 1 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.982 -1.682 19945 717 1 1 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.191 -0.437 19945 718 1 1 . 1 1 127 127 PHE H H 127 7.397 7.397 6.613 0.784 19945 719 1 1 . 1 1 128 128 GLU N N 128 120.484 120.484 119.659 0.825 19945 720 1 1 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.189 0.174 19945 721 1 1 . 1 1 128 128 GLU C C 128 176.033 176.033 176.611 -0.578 19945 722 1 1 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.223 -1.155 19945 723 1 1 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.521 1.311 19945 724 1 1 . 1 1 128 128 GLU H H 128 8.492 8.492 8.662 -0.170 19945 725 1 1 . 1 1 129 129 ALA N N 129 123.500 123.500 119.210 4.290 19945 726 1 1 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.692 0.006 19945 727 1 1 . 1 1 129 129 ALA C C 129 174.016 174.016 175.135 -1.119 19945 728 1 1 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.801 0.653 19945 729 1 1 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.399 0.604 19945 730 1 1 . 1 1 129 129 ALA H H 129 9.155 9.155 8.122 1.033 19945 731 1 1 . 1 1 130 130 SER N N 130 110.807 110.807 113.408 -2.601 19945 732 1 1 . 1 1 130 130 SER HA H 130 4.942 4.942 4.758 0.184 19945 733 1 1 . 1 1 130 130 SER C C 130 176.665 176.665 174.247 2.418 19945 734 1 1 . 1 1 130 130 SER CA C 130 57.471 57.471 57.736 -0.265 19945 735 1 1 . 1 1 130 130 SER CB C 130 67.205 67.205 65.646 1.559 19945 736 1 1 . 1 1 130 130 SER H H 130 8.101 8.101 8.132 -0.031 19945 737 1 1 . 1 1 131 131 LYS N N 131 129.963 129.963 123.930 6.033 19945 738 1 1 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.463 -0.014 19945 739 1 1 . 1 1 131 131 LYS C C 131 176.533 176.533 177.755 -1.222 19945 740 1 1 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.832 0.068 19945 741 1 1 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.384 0.245 19945 742 1 1 . 1 1 131 131 LYS H H 131 9.690 9.690 8.971 0.719 19945 743 1 1 . 1 1 132 132 GLY N N 132 107.870 107.870 106.722 1.148 19945 744 1 1 . 1 1 132 132 GLY C C 132 173.354 173.354 173.687 -0.333 19945 745 1 1 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.038 0.608 19945 746 1 1 . 1 1 132 132 GLY H H 132 9.187 9.187 8.207 0.980 19945 747 1 1 . 1 1 133 133 LEU N N 133 119.088 119.088 120.298 -1.210 19945 748 1 1 . 1 1 133 133 LEU HA H 133 4.643 4.643 3.986 0.657 19945 749 1 1 . 1 1 133 133 LEU C C 133 177.748 177.748 176.304 1.444 19945 750 1 1 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.477 -0.001 19945 751 1 1 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.970 -1.466 19945 752 1 1 . 1 1 133 133 LEU H H 133 7.098 7.098 7.241 -0.143 19945 753 1 1 . 1 1 134 134 ALA N N 134 125.720 125.720 127.924 -2.204 19945 754 1 1 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.403 -0.166 19945 755 1 1 . 1 1 134 134 ALA C C 134 176.695 176.695 176.925 -0.230 19945 756 1 1 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.464 -0.176 19945 757 1 1 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.730 -1.118 19945 758 1 1 . 1 1 134 134 ALA H H 134 9.154 9.154 8.789 0.365 19945 759 1 1 . 1 1 135 135 ASP N N 135 114.952 114.952 116.139 -1.187 19945 760 1 1 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.643 -0.114 19945 761 1 1 . 1 1 135 135 ASP C C 135 175.130 175.130 175.104 0.026 19945 762 1 1 . 1 1 135 135 ASP CA C 135 52.960 52.960 52.901 0.059 19945 763 1 1 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.380 -2.852 19945 764 1 1 . 1 1 135 135 ASP H H 135 8.299 8.299 7.488 0.811 19945 765 1 1 . 1 1 136 136 ASP N N 136 114.870 114.870 121.278 -6.408 19945 766 1 1 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.203 0.132 19945 767 1 1 . 1 1 136 136 ASP C C 136 176.303 176.303 176.821 -0.518 19945 768 1 1 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.925 0.919 19945 769 1 1 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.866 -0.002 19945 770 1 1 . 1 1 136 136 ASP H H 136 8.433 8.433 8.672 -0.239 19945 771 1 1 . 1 1 137 137 ASP N N 137 113.709 113.709 117.975 -4.266 19945 772 1 1 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.542 0.289 19945 773 1 1 . 1 1 137 137 ASP C C 137 176.514 176.514 175.057 1.457 19945 774 1 1 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.762 -1.445 19945 775 1 1 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.389 0.069 19945 776 1 1 . 1 1 137 137 ASP H H 137 8.232 8.232 8.222 0.010 19945 777 1 1 . 1 1 138 138 HIS N N 138 117.829 117.829 112.896 4.933 19945 778 1 1 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.101 0.181 19945 779 1 1 . 1 1 138 138 HIS C C 138 175.130 175.130 173.427 1.703 19945 780 1 1 . 1 1 138 138 HIS CA C 138 56.599 56.599 54.165 2.434 19945 781 1 1 . 1 1 138 138 HIS CB C 138 32.000 32.000 31.157 0.843 19945 782 1 1 . 1 1 138 138 HIS H H 138 7.764 7.764 7.388 0.376 19945 783 1 1 . 1 1 139 139 PHE N N 139 123.553 123.553 120.273 3.280 19945 784 1 1 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.853 0.166 19945 785 1 1 . 1 1 139 139 PHE C C 139 177.477 177.477 177.122 0.355 19945 786 1 1 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.458 0.101 19945 787 1 1 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.807 3.065 19945 788 1 1 . 1 1 139 139 PHE H H 139 9.955 9.955 9.571 0.384 19945 789 1 1 . 1 1 140 140 VAL N N 140 119.420 119.420 120.093 -0.673 19945 790 1 1 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.259 -0.581 19945 791 1 1 . 1 1 140 140 VAL C C 140 173.023 173.023 175.522 -2.499 19945 792 1 1 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.037 -1.921 19945 793 1 1 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.470 0.066 19945 794 1 1 . 1 1 140 140 VAL H H 140 9.178 9.178 9.014 0.164 19945 795 1 1 . 1 1 141 141 GLY N N 141 105.680 105.680 104.922 0.758 19945 796 1 1 . 1 1 141 141 GLY C C 141 171.284 171.284 172.933 -1.649 19945 797 1 1 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.598 1.123 19945 798 1 1 . 1 1 141 141 GLY H H 141 6.837 6.837 7.554 -0.717 19945 799 1 1 . 1 1 142 142 LEU N N 142 118.516 118.516 120.574 -2.058 19945 800 1 1 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.798 -0.751 19945 801 1 1 . 1 1 142 142 LEU C C 142 173.725 173.725 175.038 -1.313 19945 802 1 1 . 1 1 142 142 LEU CA C 142 55.704 55.704 55.376 0.328 19945 803 1 1 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.540 -2.801 19945 804 1 1 . 1 1 142 142 LEU H H 142 7.423 7.423 8.034 -0.611 19945 805 1 1 . 1 1 143 143 ALA N N 143 128.382 128.382 129.268 -0.886 19945 806 1 1 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.559 -0.085 19945 807 1 1 . 1 1 143 143 ALA C C 143 175.685 175.685 176.187 -0.502 19945 808 1 1 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.332 -0.701 19945 809 1 1 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.196 0.651 19945 810 1 1 . 1 1 143 143 ALA H H 143 5.414 5.414 7.666 -2.252 19945 811 1 1 . 1 1 144 144 ILE N N 144 126.754 126.754 120.134 6.620 19945 812 1 1 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.472 -0.157 19945 813 1 1 . 1 1 144 144 ILE C C 144 173.725 173.725 174.192 -0.467 19945 814 1 1 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.011 -4.290 19945 815 1 1 . 1 1 144 144 ILE CB C 144 37.630 37.630 39.067 -1.437 19945 816 1 1 . 1 1 144 144 ILE H H 144 8.849 8.849 7.927 0.922 19945 817 1 1 . 1 1 145 145 ASP N N 145 125.518 125.518 125.487 0.031 19945 818 1 1 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.853 0.943 19945 819 1 1 . 1 1 145 145 ASP C C 145 176.830 176.830 174.466 2.364 19945 820 1 1 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.094 -1.541 19945 821 1 1 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.994 -0.492 19945 822 1 1 . 1 1 145 145 ASP H H 145 8.088 8.088 8.617 -0.529 19945 823 1 1 . 1 1 146 146 GLU N N 146 125.475 125.475 124.194 1.281 19945 824 1 1 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.522 0.141 19945 825 1 1 . 1 1 146 146 GLU C C 146 177.132 177.132 175.729 1.403 19945 826 1 1 . 1 1 146 146 GLU CA C 146 56.273 56.273 55.983 0.289 19945 827 1 1 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.107 0.143 19945 828 1 1 . 1 1 146 146 GLU H H 146 8.390 8.390 8.961 -0.571 19945 829 1 1 . 1 1 147 147 ASP N N 147 120.137 120.137 128.982 -8.845 19945 830 1 1 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.353 0.214 19945 831 1 1 . 1 1 147 147 ASP C C 147 178.126 178.126 176.157 1.969 19945 832 1 1 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.204 2.797 19945 833 1 1 . 1 1 147 147 ASP CB C 147 43.250 43.250 40.344 2.906 19945 834 1 1 . 1 1 147 147 ASP H H 147 8.599 8.599 9.001 -0.402 19945 835 1 1 . 1 1 148 148 ARG N N 148 115.655 115.655 113.537 2.118 19945 836 1 1 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.952 0.746 19945 837 1 1 . 1 1 148 148 ARG C C 148 177.704 177.704 174.741 2.963 19945 838 1 1 . 1 1 148 148 ARG CA C 148 52.960 52.960 57.918 -4.958 19945 839 1 1 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.232 2.582 19945 840 1 1 . 1 1 148 148 ARG H H 148 9.762 9.762 8.549 1.213 19945 841 1 1 . 1 1 149 149 GLN N N 149 116.313 116.313 115.825 0.488 19945 842 1 1 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.880 0.419 19945 843 1 1 . 1 1 149 149 GLN C C 149 175.142 175.142 173.449 1.693 19945 844 1 1 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.203 1.198 19945 845 1 1 . 1 1 149 149 GLN CB C 149 30.841 30.841 32.892 -2.051 19945 846 1 1 . 1 1 149 149 GLN H H 149 7.622 7.622 7.363 0.259 19945 847 1 1 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.431 0.250 19945 848 1 1 . 1 1 150 150 PRO C C 150 179.483 179.483 175.428 4.055 19945 849 1 1 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.034 2.292 19945 850 1 1 . 1 1 150 150 PRO CB C 150 30.652 30.652 31.311 -0.659 19945 851 1 1 . 1 1 151 151 GLU N N 151 122.981 122.981 122.806 0.175 19945 852 1 1 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.459 -0.058 19945 853 1 1 . 1 1 151 151 GLU C C 151 177.041 177.041 175.556 1.485 19945 854 1 1 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.100 3.298 19945 855 1 1 . 1 1 151 151 GLU CB C 151 27.582 27.582 32.346 -4.764 19945 856 1 1 . 1 1 151 151 GLU H H 151 10.520 10.520 7.810 2.710 19945 857 1 1 . 1 1 152 152 LEU N N 152 120.119 120.119 117.284 2.835 19945 858 1 1 . 1 1 152 152 LEU HA H 152 4.691 4.691 3.938 0.753 19945 859 1 1 . 1 1 152 152 LEU C C 152 177.222 177.222 177.338 -0.116 19945 860 1 1 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.067 -0.758 19945 861 1 1 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.327 1.608 19945 862 1 1 . 1 1 152 152 LEU H H 152 7.589 7.589 8.725 -1.136 19945 863 1 1 . 1 1 153 153 THR N N 153 119.637 119.637 115.081 4.556 19945 864 1 1 . 1 1 153 153 THR HA H 153 3.592 3.592 3.987 -0.395 19945 865 1 1 . 1 1 153 153 THR C C 153 174.178 174.178 175.968 -1.790 19945 866 1 1 . 1 1 153 153 THR CA C 153 67.960 67.960 65.938 2.022 19945 867 1 1 . 1 1 153 153 THR CB C 153 69.023 69.023 68.925 0.098 19945 868 1 1 . 1 1 153 153 THR H H 153 7.469 7.469 8.162 -0.693 19945 869 1 1 . 1 1 154 154 ALA N N 154 123.665 123.665 124.175 -0.510 19945 870 1 1 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.140 -0.252 19945 871 1 1 . 1 1 154 154 ALA C C 154 180.417 180.417 179.687 0.730 19945 872 1 1 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.157 1.381 19945 873 1 1 . 1 1 154 154 ALA CB C 154 17.222 17.222 17.948 -0.726 19945 874 1 1 . 1 1 154 154 ALA H H 154 9.077 9.077 8.380 0.697 19945 875 1 1 . 1 1 155 155 GLU N N 155 119.661 119.661 117.867 1.794 19945 876 1 1 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.023 0.229 19945 877 1 1 . 1 1 155 155 GLU C C 155 178.518 178.518 179.543 -1.025 19945 878 1 1 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.864 -1.046 19945 879 1 1 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.252 0.455 19945 880 1 1 . 1 1 155 155 GLU H H 155 8.647 8.647 8.857 -0.210 19945 881 1 1 . 1 1 156 156 ARG N N 156 120.739 120.739 119.326 1.413 19945 882 1 1 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.341 -0.123 19945 883 1 1 . 1 1 156 156 ARG C C 156 177.252 177.252 178.893 -1.641 19945 884 1 1 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.231 1.238 19945 885 1 1 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.409 0.614 19945 886 1 1 . 1 1 156 156 ARG H H 156 8.129 8.129 7.575 0.554 19945 887 1 1 . 1 1 157 157 VAL N N 157 117.372 117.372 116.991 0.381 19945 888 1 1 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.682 -0.363 19945 889 1 1 . 1 1 157 157 VAL C C 157 177.192 177.192 177.569 -0.377 19945 890 1 1 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.035 1.365 19945 891 1 1 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.187 0.645 19945 892 1 1 . 1 1 157 157 VAL H H 157 8.578 8.578 8.360 0.218 19945 893 1 1 . 1 1 158 158 GLU N N 158 118.631 118.631 122.620 -3.989 19945 894 1 1 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.208 -0.011 19945 895 1 1 . 1 1 158 158 GLU C C 158 179.995 179.995 179.139 0.856 19945 896 1 1 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.917 -0.180 19945 897 1 1 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.474 -0.297 19945 898 1 1 . 1 1 158 158 GLU H H 158 8.046 8.046 8.507 -0.461 19945 899 1 1 . 1 1 159 159 LYS N N 159 118.860 118.860 119.969 -1.109 19945 900 1 1 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.050 0.136 19945 901 1 1 . 1 1 159 159 LYS C C 159 179.844 179.844 178.974 0.870 19945 902 1 1 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.564 0.431 19945 903 1 1 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.522 1.170 19945 904 1 1 . 1 1 159 159 LYS H H 159 8.522 8.522 8.030 0.492 19945 905 1 1 . 1 1 160 160 TRP N N 160 125.100 125.100 121.710 3.390 19945 906 1 1 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.453 -0.083 19945 907 1 1 . 1 1 160 160 TRP C C 160 178.006 178.006 178.060 -0.054 19945 908 1 1 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.952 0.862 19945 909 1 1 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.394 -0.602 19945 910 1 1 . 1 1 160 160 TRP H H 160 9.076 9.076 8.464 0.612 19945 911 1 1 . 1 1 161 161 VAL N N 161 118.402 118.402 119.327 -0.925 19945 912 1 1 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.111 0.259 19945 913 1 1 . 1 1 161 161 VAL C C 161 179.392 179.392 178.105 1.287 19945 914 1 1 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.842 0.162 19945 915 1 1 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.528 -1.178 19945 916 1 1 . 1 1 161 161 VAL H H 161 9.024 9.024 8.502 0.522 19945 917 1 1 . 1 1 162 162 LYS N N 162 123.209 123.209 119.788 3.421 19945 918 1 1 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.875 0.127 19945 919 1 1 . 1 1 162 162 LYS C C 162 178.759 178.759 179.029 -0.270 19945 920 1 1 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.938 0.434 19945 921 1 1 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.183 0.181 19945 922 1 1 . 1 1 162 162 LYS H H 162 7.820 7.820 8.237 -0.417 19945 923 1 1 . 1 1 163 163 GLN N N 163 121.722 121.722 118.020 3.702 19945 924 1 1 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.017 0.173 19945 925 1 1 . 1 1 163 163 GLN C C 163 179.935 179.935 178.881 1.054 19945 926 1 1 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.450 1.276 19945 927 1 1 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.604 0.418 19945 928 1 1 . 1 1 163 163 GLN H H 163 8.126 8.126 7.907 0.219 19945 929 1 1 . 1 1 164 164 ILE N N 164 114.390 114.390 116.567 -2.177 19945 930 1 1 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.686 0.304 19945 931 1 1 . 1 1 164 164 ILE C C 164 178.156 178.156 177.499 0.657 19945 932 1 1 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.147 1.029 19945 933 1 1 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.035 0.643 19945 934 1 1 . 1 1 164 164 ILE H H 164 9.110 9.110 8.080 1.030 19945 935 1 1 . 1 1 165 165 SER N N 165 119.660 119.660 116.504 3.156 19945 936 1 1 . 1 1 165 165 SER HA H 165 3.976 3.976 4.011 -0.035 19945 937 1 1 . 1 1 165 165 SER C C 165 176.438 176.438 175.969 0.469 19945 938 1 1 . 1 1 165 165 SER CA C 165 63.180 63.180 62.677 0.503 19945 939 1 1 . 1 1 165 165 SER CB C 165 62.383 62.383 62.616 -0.233 19945 940 1 1 . 1 1 165 165 SER H H 165 8.278 8.278 8.459 -0.181 19945 941 1 1 . 1 1 166 166 GLU N N 166 122.290 122.290 118.291 3.999 19945 942 1 1 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.211 -0.001 19945 943 1 1 . 1 1 166 166 GLU C C 166 179.965 179.965 176.996 2.969 19945 944 1 1 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.514 1.681 19945 945 1 1 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.226 0.018 19945 946 1 1 . 1 1 166 166 GLU H H 166 7.345 7.345 7.686 -0.341 19945 947 1 1 . 1 1 167 167 GLU N N 167 120.787 120.787 118.790 1.997 19945 948 1 1 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.055 -0.116 19945 949 1 1 . 1 1 167 167 GLU C C 167 178.518 178.518 177.742 0.776 19945 950 1 1 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.147 1.853 19945 951 1 1 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.382 0.418 19945 952 1 1 . 1 1 167 167 GLU H H 167 8.413 8.413 7.560 0.853 19945 953 1 1 . 1 1 168 168 LEU N N 168 115.420 115.420 116.581 -1.161 19945 954 1 1 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.286 -0.149 19945 955 1 1 . 1 1 168 168 LEU C C 168 175.896 175.896 177.247 -1.351 19945 956 1 1 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.550 -0.770 19945 957 1 1 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.398 0.902 19945 958 1 1 . 1 1 168 168 LEU H H 168 8.553 8.553 8.183 0.370 19945 959 1 1 . 1 1 169 169 HIS N N 169 113.347 113.347 112.235 1.112 19945 960 1 1 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.310 0.041 19945 961 1 1 . 1 1 169 169 HIS C C 169 175.835 175.835 175.080 0.755 19945 962 1 1 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.254 -0.981 19945 963 1 1 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.747 -1.025 19945 964 1 1 . 1 1 169 169 HIS H H 169 7.550 7.550 7.662 -0.112 19945 965 1 1 . 1 1 170 170 LEU N N 170 117.250 117.250 117.553 -0.303 19945 966 1 1 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.236 -0.233 19945 967 1 1 . 1 1 170 170 LEU C C 170 178.096 178.096 177.839 0.257 19945 968 1 1 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.310 1.658 19945 969 1 1 . 1 1 170 170 LEU CB C 170 41.858 41.858 42.033 -0.175 19945 970 1 1 . 1 1 170 170 LEU H H 170 8.069 8.069 7.932 0.137 19945 971 1 1 . 1 1 171 171 ASP N N 171 117.300 117.300 120.718 -3.418 19945 972 1 1 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.265 0.070 19945 973 1 1 . 1 1 171 171 ASP C C 171 177.915 177.915 177.557 0.358 19945 974 1 1 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.202 -1.512 19945 975 1 1 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.678 -0.618 19945 976 1 1 . 1 1 171 171 ASP H H 171 8.732 8.732 8.098 0.634 19945 977 1 1 . 1 1 172 172 GLU N N 172 119.203 119.203 117.525 1.678 19945 978 1 1 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.203 0.024 19945 979 1 1 . 1 1 172 172 GLU C C 172 178.277 178.277 177.404 0.873 19945 980 1 1 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.390 -0.258 19945 981 1 1 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.132 0.868 19945 982 1 1 . 1 1 172 172 GLU H H 172 7.804 7.804 8.620 -0.816 19945 983 1 1 . 1 1 173 173 ILE N N 173 119.519 119.519 118.623 0.896 19945 984 1 1 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.023 0.030 19945 985 1 1 . 1 1 173 173 ILE C C 173 178.006 178.006 178.294 -0.288 19945 986 1 1 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.404 0.196 19945 987 1 1 . 1 1 173 173 ILE CB C 173 39.000 39.000 38.941 0.060 19945 988 1 1 . 1 1 173 173 ILE H H 173 7.787 7.787 7.584 0.203 19945 989 1 1 . 1 1 174 174 LEU N N 174 121.260 121.260 119.647 1.613 19945 990 1 1 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.317 -0.032 19945 991 1 1 . 1 1 174 174 LEU C C 174 177.704 177.704 177.891 -0.187 19945 992 1 1 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.664 -1.391 19945 993 1 1 . 1 1 174 174 LEU CB C 174 42.459 42.459 41.883 0.576 19945 994 1 1 . 1 1 174 174 LEU H H 174 8.241 8.241 8.455 -0.214 19945 995 1 1 . 1 1 175 175 ASN N N 175 118.280 118.280 116.851 1.429 19945 996 1 1 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.697 0.132 19945 997 1 1 . 1 1 175 175 ASN C C 175 173.846 173.846 175.932 -2.086 19945 998 1 1 . 1 1 175 175 ASN CA C 175 53.222 53.222 52.813 0.409 19945 999 1 1 . 1 1 175 175 ASN CB C 175 39.271 39.271 38.981 0.290 19945 1000 1 1 . 1 1 175 175 ASN H H 175 7.883 7.883 8.472 -0.589 19945 1001 1 2 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.735 -0.483 19945 1002 1 2 . 1 1 2 2 ALA C C 2 174.479 174.479 177.931 -3.452 19945 1003 1 2 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.023 1.445 19945 1004 1 2 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.004 -0.837 19945 1005 1 2 . 1 1 3 3 ILE N N 3 116.571 116.571 115.871 0.700 19945 1006 1 2 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.400 0.145 19945 1007 1 2 . 1 1 3 3 ILE C C 3 175.806 175.806 175.961 -0.155 19945 1008 1 2 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.427 0.768 19945 1009 1 2 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.694 0.716 19945 1010 1 2 . 1 1 3 3 ILE H H 3 8.456 8.456 8.238 0.218 19945 1011 1 2 . 1 1 4 4 THR N N 4 115.734 115.734 118.143 -2.409 19945 1012 1 2 . 1 1 4 4 THR HA H 4 5.124 5.124 5.074 0.050 19945 1013 1 2 . 1 1 4 4 THR C C 4 172.410 172.410 173.412 -1.002 19945 1014 1 2 . 1 1 4 4 THR CA C 4 61.724 61.724 61.392 0.332 19945 1015 1 2 . 1 1 4 4 THR CB C 4 70.059 70.059 70.296 -0.237 19945 1016 1 2 . 1 1 4 4 THR H H 4 8.244 8.244 8.202 0.042 19945 1017 1 2 . 1 1 5 5 GLY N N 5 116.016 116.016 113.404 2.612 19945 1018 1 2 . 1 1 5 5 GLY C C 5 171.077 171.077 172.640 -1.563 19945 1019 1 2 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.156 0.353 19945 1020 1 2 . 1 1 5 5 GLY H H 5 8.554 8.554 8.804 -0.250 19945 1021 1 2 . 1 1 6 6 ILE N N 6 126.504 126.504 127.338 -0.834 19945 1022 1 2 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.760 0.691 19945 1023 1 2 . 1 1 6 6 ILE C C 6 175.245 175.245 174.814 0.431 19945 1024 1 2 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.956 -1.038 19945 1025 1 2 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.820 0.388 19945 1026 1 2 . 1 1 6 6 ILE H H 6 8.719 8.719 9.019 -0.300 19945 1027 1 2 . 1 1 7 7 PHE N N 7 127.559 127.559 127.268 0.291 19945 1028 1 2 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.680 -0.067 19945 1029 1 2 . 1 1 7 7 PHE C C 7 174.634 174.634 175.689 -1.055 19945 1030 1 2 . 1 1 7 7 PHE CA C 7 55.663 55.663 57.025 -1.362 19945 1031 1 2 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.731 0.957 19945 1032 1 2 . 1 1 7 7 PHE H H 7 9.609 9.609 9.477 0.132 19945 1033 1 2 . 1 1 8 8 PHE N N 8 120.006 120.006 119.617 0.389 19945 1034 1 2 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.975 0.249 19945 1035 1 2 . 1 1 8 8 PHE C C 8 171.212 171.212 173.848 -2.636 19945 1036 1 2 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.382 -0.702 19945 1037 1 2 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.972 0.548 19945 1038 1 2 . 1 1 8 8 PHE H H 8 8.545 8.545 8.882 -0.337 19945 1039 1 2 . 1 1 9 9 GLY N N 9 109.650 109.650 107.332 2.318 19945 1040 1 2 . 1 1 9 9 GLY C C 9 172.512 172.512 172.620 -0.108 19945 1041 1 2 . 1 1 9 9 GLY CA C 9 44.318 44.318 44.163 0.155 19945 1042 1 2 . 1 1 9 9 GLY H H 9 7.701 7.701 8.762 -1.061 19945 1043 1 2 . 1 1 10 10 SER N N 10 115.953 115.953 115.887 0.066 19945 1044 1 2 . 1 1 10 10 SER HA H 10 5.001 5.001 4.837 0.164 19945 1045 1 2 . 1 1 10 10 SER C C 10 173.439 173.439 172.909 0.530 19945 1046 1 2 . 1 1 10 10 SER CA C 10 58.308 58.308 58.372 -0.064 19945 1047 1 2 . 1 1 10 10 SER CB C 10 66.423 66.423 66.818 -0.395 19945 1048 1 2 . 1 1 10 10 SER H H 10 8.634 8.634 8.650 -0.016 19945 1049 1 2 . 1 1 11 11 ASP N N 11 104.000 104.000 123.190 -19.190 19945 1050 1 2 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.582 0.392 19945 1051 1 2 . 1 1 11 11 ASP C C 11 179.108 179.108 177.131 1.977 19945 1052 1 2 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.763 -0.214 19945 1053 1 2 . 1 1 11 11 ASP CB C 11 40.100 40.100 40.771 -0.671 19945 1054 1 2 . 1 1 11 11 ASP H H 11 11.201 11.201 8.638 2.563 19945 1055 1 2 . 1 1 12 12 THR N N 12 112.000 112.000 111.169 0.831 19945 1056 1 2 . 1 1 12 12 THR HA H 12 4.804 4.804 4.469 0.335 19945 1057 1 2 . 1 1 12 12 THR C C 12 175.080 175.080 175.224 -0.144 19945 1058 1 2 . 1 1 12 12 THR CA C 12 60.237 60.237 62.010 -1.773 19945 1059 1 2 . 1 1 12 12 THR CB C 12 68.567 68.567 69.472 -0.905 19945 1060 1 2 . 1 1 12 12 THR H H 12 9.311 9.311 8.159 1.152 19945 1061 1 2 . 1 1 13 13 GLY N N 13 112.221 112.221 110.939 1.282 19945 1062 1 2 . 1 1 13 13 GLY C C 13 176.690 176.690 174.771 1.919 19945 1063 1 2 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.189 1.111 19945 1064 1 2 . 1 1 13 13 GLY H H 13 8.000 8.000 8.362 -0.362 19945 1065 1 2 . 1 1 14 14 ASN N N 14 128.520 128.520 118.811 9.709 19945 1066 1 2 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.542 0.084 19945 1067 1 2 . 1 1 14 14 ASN C C 14 178.888 178.888 176.913 1.975 19945 1068 1 2 . 1 1 14 14 ASN CA C 14 57.064 57.064 56.041 1.023 19945 1069 1 2 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.742 -1.907 19945 1070 1 2 . 1 1 14 14 ASN H H 14 11.112 11.112 8.325 2.787 19945 1071 1 2 . 1 1 15 15 THR N N 15 122.550 122.550 117.344 5.206 19945 1072 1 2 . 1 1 15 15 THR HA H 15 4.369 4.369 4.145 0.224 19945 1073 1 2 . 1 1 15 15 THR C C 15 176.786 176.786 176.115 0.671 19945 1074 1 2 . 1 1 15 15 THR CA C 15 67.325 67.325 66.260 1.065 19945 1075 1 2 . 1 1 15 15 THR CB C 15 67.961 67.961 68.497 -0.536 19945 1076 1 2 . 1 1 15 15 THR H H 15 11.327 11.327 7.803 3.524 19945 1077 1 2 . 1 1 16 16 GLU N N 16 120.578 120.578 122.285 -1.707 19945 1078 1 2 . 1 1 16 16 GLU HA H 16 2.287 2.287 3.209 -0.922 19945 1079 1 2 . 1 1 16 16 GLU C C 16 176.642 176.642 178.177 -1.535 19945 1080 1 2 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.200 -0.132 19945 1081 1 2 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.113 -0.735 19945 1082 1 2 . 1 1 16 16 GLU H H 16 6.590 6.590 7.966 -1.376 19945 1083 1 2 . 1 1 17 17 ASN N N 17 118.000 118.000 118.094 -0.094 19945 1084 1 2 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.435 -0.125 19945 1085 1 2 . 1 1 17 17 ASN C C 17 178.255 178.255 177.776 0.479 19945 1086 1 2 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.917 0.384 19945 1087 1 2 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.035 -0.397 19945 1088 1 2 . 1 1 17 17 ASN H H 17 7.705 7.705 7.649 0.056 19945 1089 1 2 . 1 1 18 18 ILE N N 18 119.430 119.430 120.054 -0.624 19945 1090 1 2 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.660 -0.008 19945 1091 1 2 . 1 1 18 18 ILE C C 18 177.564 177.564 177.658 -0.094 19945 1092 1 2 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.181 -0.681 19945 1093 1 2 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.488 -1.937 19945 1094 1 2 . 1 1 18 18 ILE H H 18 8.141 8.141 7.419 0.722 19945 1095 1 2 . 1 1 19 19 ALA N N 19 123.208 123.208 122.547 0.661 19945 1096 1 2 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.754 -0.085 19945 1097 1 2 . 1 1 19 19 ALA C C 19 178.888 178.888 179.630 -0.742 19945 1098 1 2 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.526 0.129 19945 1099 1 2 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.123 0.692 19945 1100 1 2 . 1 1 19 19 ALA H H 19 8.304 8.304 8.342 -0.038 19945 1101 1 2 . 1 1 20 20 LYS N N 20 116.460 116.460 118.799 -2.339 19945 1102 1 2 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.998 -0.182 19945 1103 1 2 . 1 1 20 20 LYS C C 20 179.666 179.666 179.049 0.617 19945 1104 1 2 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.408 0.414 19945 1105 1 2 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.398 -0.300 19945 1106 1 2 . 1 1 20 20 LYS H H 20 7.722 7.722 8.108 -0.386 19945 1107 1 2 . 1 1 21 21 MET N N 21 123.880 123.880 118.472 5.408 19945 1108 1 2 . 1 1 21 21 MET HA H 21 3.946 3.946 4.115 -0.169 19945 1109 1 2 . 1 1 21 21 MET C C 21 179.435 179.435 178.870 0.565 19945 1110 1 2 . 1 1 21 21 MET CA C 21 59.662 59.662 58.829 0.833 19945 1111 1 2 . 1 1 21 21 MET CB C 21 34.262 34.262 32.590 1.672 19945 1112 1 2 . 1 1 21 21 MET H H 21 8.336 8.336 8.035 0.301 19945 1113 1 2 . 1 1 22 22 ILE N N 22 122.065 122.065 121.253 0.812 19945 1114 1 2 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.574 -0.329 19945 1115 1 2 . 1 1 22 22 ILE C C 22 177.592 177.592 177.570 0.022 19945 1116 1 2 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.477 0.247 19945 1117 1 2 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.690 -0.013 19945 1118 1 2 . 1 1 22 22 ILE H H 22 8.500 8.500 8.059 0.441 19945 1119 1 2 . 1 1 23 23 GLN N N 23 119.264 119.264 119.651 -0.387 19945 1120 1 2 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.831 -0.387 19945 1121 1 2 . 1 1 23 23 GLN C C 23 177.017 177.017 178.011 -0.994 19945 1122 1 2 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.281 0.410 19945 1123 1 2 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.671 -0.823 19945 1124 1 2 . 1 1 23 23 GLN H H 23 7.985 7.985 8.193 -0.208 19945 1125 1 2 . 1 1 24 24 LYS N N 24 118.970 118.970 118.495 0.475 19945 1126 1 2 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.986 -0.066 19945 1127 1 2 . 1 1 24 24 LYS C C 24 178.427 178.427 179.135 -0.708 19945 1128 1 2 . 1 1 24 24 LYS CA C 24 59.160 59.160 59.199 -0.039 19945 1129 1 2 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.178 0.186 19945 1130 1 2 . 1 1 24 24 LYS H H 24 7.942 7.942 8.200 -0.258 19945 1131 1 2 . 1 1 25 25 GLN N N 25 118.400 118.400 117.637 0.763 19945 1132 1 2 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.112 -0.109 19945 1133 1 2 . 1 1 25 25 GLN C C 25 178.226 178.226 178.044 0.182 19945 1134 1 2 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.977 0.106 19945 1135 1 2 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.774 0.136 19945 1136 1 2 . 1 1 25 25 GLN H H 25 7.636 7.636 7.559 0.077 19945 1137 1 2 . 1 1 26 26 LEU N N 26 119.080 119.080 119.182 -0.102 19945 1138 1 2 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.185 -0.166 19945 1139 1 2 . 1 1 26 26 LEU C C 26 177.247 177.247 177.690 -0.443 19945 1140 1 2 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.094 0.975 19945 1141 1 2 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.784 0.365 19945 1142 1 2 . 1 1 26 26 LEU H H 26 8.098 8.098 7.462 0.636 19945 1143 1 2 . 1 1 27 27 GLY N N 27 107.750 107.750 105.752 1.998 19945 1144 1 2 . 1 1 27 27 GLY C C 27 175.231 175.231 174.366 0.865 19945 1145 1 2 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.666 -0.606 19945 1146 1 2 . 1 1 27 27 GLY H H 27 8.050 8.050 8.103 -0.053 19945 1147 1 2 . 1 1 28 28 LYS N N 28 125.187 125.187 122.551 2.636 19945 1148 1 2 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.260 -0.037 19945 1149 1 2 . 1 1 28 28 LYS C C 28 176.372 176.372 177.068 -0.696 19945 1150 1 2 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.040 0.889 19945 1151 1 2 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.461 -0.363 19945 1152 1 2 . 1 1 28 28 LYS H H 28 8.786 8.786 8.554 0.232 19945 1153 1 2 . 1 1 29 29 ASP N N 29 115.960 115.960 116.563 -0.603 19945 1154 1 2 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.519 0.056 19945 1155 1 2 . 1 1 29 29 ASP C C 29 176.437 176.437 177.279 -0.842 19945 1156 1 2 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.409 -1.199 19945 1157 1 2 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.893 -1.091 19945 1158 1 2 . 1 1 29 29 ASP H H 29 8.919 8.919 8.304 0.615 19945 1159 1 2 . 1 1 30 30 VAL N N 30 120.609 120.609 118.826 1.783 19945 1160 1 2 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.052 0.004 19945 1161 1 2 . 1 1 30 30 VAL C C 30 174.656 174.656 174.893 -0.237 19945 1162 1 2 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.863 -0.143 19945 1163 1 2 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.045 -0.207 19945 1164 1 2 . 1 1 30 30 VAL H H 30 7.573 7.573 7.554 0.019 19945 1165 1 2 . 1 1 31 31 ALA N N 31 123.100 123.100 119.154 3.946 19945 1166 1 2 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.297 0.234 19945 1167 1 2 . 1 1 31 31 ALA C C 31 175.174 175.174 174.825 0.349 19945 1168 1 2 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.227 -0.065 19945 1169 1 2 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.581 0.750 19945 1170 1 2 . 1 1 31 31 ALA H H 31 7.951 7.951 8.131 -0.180 19945 1171 1 2 . 1 1 32 32 ASP N N 32 121.576 121.576 120.139 1.437 19945 1172 1 2 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.985 -0.116 19945 1173 1 2 . 1 1 32 32 ASP C C 32 174.771 174.771 174.336 0.435 19945 1174 1 2 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.242 0.170 19945 1175 1 2 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.208 -1.421 19945 1176 1 2 . 1 1 32 32 ASP H H 32 8.175 8.175 8.642 -0.467 19945 1177 1 2 . 1 1 33 33 VAL N N 33 120.428 120.428 123.647 -3.219 19945 1178 1 2 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.770 -0.113 19945 1179 1 2 . 1 1 33 33 VAL C C 33 174.252 174.252 175.078 -0.826 19945 1180 1 2 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.495 -0.192 19945 1181 1 2 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.544 0.332 19945 1182 1 2 . 1 1 33 33 VAL H H 33 8.397 8.397 8.229 0.168 19945 1183 1 2 . 1 1 34 34 HIS N N 34 125.285 125.285 125.508 -0.223 19945 1184 1 2 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.816 -0.263 19945 1185 1 2 . 1 1 34 34 HIS C C 34 171.920 171.920 173.151 -1.231 19945 1186 1 2 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.700 -1.129 19945 1187 1 2 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.854 -0.434 19945 1188 1 2 . 1 1 34 34 HIS H H 34 8.945 8.945 9.161 -0.216 19945 1189 1 2 . 1 1 35 35 ASP N N 35 124.120 124.120 123.335 0.785 19945 1190 1 2 . 1 1 35 35 ASP HA H 35 3.297 3.297 3.642 -0.345 19945 1191 1 2 . 1 1 35 35 ASP C C 35 179.780 179.780 176.671 3.109 19945 1192 1 2 . 1 1 35 35 ASP CA C 35 51.756 51.756 53.633 -1.877 19945 1193 1 2 . 1 1 35 35 ASP CB C 35 41.396 41.396 41.239 0.157 19945 1194 1 2 . 1 1 35 35 ASP H H 35 8.589 8.589 8.642 -0.053 19945 1195 1 2 . 1 1 36 36 ILE N N 36 106.681 106.681 127.096 -20.415 19945 1196 1 2 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.565 -0.011 19945 1197 1 2 . 1 1 36 36 ILE C C 36 175.404 175.404 176.341 -0.937 19945 1198 1 2 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.355 -3.005 19945 1199 1 2 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.127 2.144 19945 1200 1 2 . 1 1 36 36 ILE H H 36 9.705 9.705 7.888 1.817 19945 1201 1 2 . 1 1 37 37 ALA N N 37 123.095 123.095 122.135 0.960 19945 1202 1 2 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.961 0.128 19945 1203 1 2 . 1 1 37 37 ALA C C 37 178.140 178.140 178.109 0.031 19945 1204 1 2 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.219 -0.603 19945 1205 1 2 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.656 0.690 19945 1206 1 2 . 1 1 37 37 ALA H H 37 8.261 8.261 7.605 0.656 19945 1207 1 2 . 1 1 38 38 LYS N N 38 115.312 115.312 115.810 -0.498 19945 1208 1 2 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.158 0.453 19945 1209 1 2 . 1 1 38 38 LYS C C 38 176.498 176.498 177.103 -0.605 19945 1210 1 2 . 1 1 38 38 LYS CA C 38 54.147 54.147 57.278 -3.131 19945 1211 1 2 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.105 1.321 19945 1212 1 2 . 1 1 38 38 LYS H H 38 7.437 7.437 8.126 -0.689 19945 1213 1 2 . 1 1 39 39 SER N N 39 115.623 115.623 117.123 -1.500 19945 1214 1 2 . 1 1 39 39 SER HA H 39 5.019 5.019 4.385 0.634 19945 1215 1 2 . 1 1 39 39 SER C C 39 171.402 171.402 173.942 -2.540 19945 1216 1 2 . 1 1 39 39 SER CA C 39 58.929 58.929 59.495 -0.566 19945 1217 1 2 . 1 1 39 39 SER CB C 39 65.538 65.538 63.972 1.566 19945 1218 1 2 . 1 1 39 39 SER H H 39 7.051 7.051 7.424 -0.373 19945 1219 1 2 . 1 1 40 40 SER N N 40 118.860 118.860 115.845 3.015 19945 1220 1 2 . 1 1 40 40 SER HA H 40 5.025 5.025 4.830 0.195 19945 1221 1 2 . 1 1 40 40 SER C C 40 174.741 174.741 175.211 -0.470 19945 1222 1 2 . 1 1 40 40 SER CA C 40 56.003 56.003 57.281 -1.278 19945 1223 1 2 . 1 1 40 40 SER CB C 40 67.416 67.416 65.376 2.040 19945 1224 1 2 . 1 1 40 40 SER H H 40 9.377 9.377 8.295 1.082 19945 1225 1 2 . 1 1 41 41 LYS N N 41 122.504 122.504 122.863 -0.359 19945 1226 1 2 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.948 -0.210 19945 1227 1 2 . 1 1 41 41 LYS C C 41 177.391 177.391 177.726 -0.335 19945 1228 1 2 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.138 0.835 19945 1229 1 2 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.215 1.092 19945 1230 1 2 . 1 1 41 41 LYS H H 41 9.098 9.098 8.827 0.271 19945 1231 1 2 . 1 1 42 42 GLU N N 42 115.836 115.836 115.867 -0.031 19945 1232 1 2 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.159 -0.031 19945 1233 1 2 . 1 1 42 42 GLU C C 42 178.773 178.773 178.594 0.179 19945 1234 1 2 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.438 1.554 19945 1235 1 2 . 1 1 42 42 GLU CB C 42 28.644 28.644 28.971 -0.327 19945 1236 1 2 . 1 1 42 42 GLU H H 42 8.839 8.839 8.542 0.297 19945 1237 1 2 . 1 1 43 43 ASP N N 43 119.589 119.589 119.643 -0.054 19945 1238 1 2 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.516 -0.030 19945 1239 1 2 . 1 1 43 43 ASP C C 43 177.564 177.564 177.465 0.099 19945 1240 1 2 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.156 1.445 19945 1241 1 2 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.957 -0.151 19945 1242 1 2 . 1 1 43 43 ASP H H 43 7.794 7.794 8.007 -0.213 19945 1243 1 2 . 1 1 44 44 LEU N N 44 118.745 118.745 119.014 -0.269 19945 1244 1 2 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.324 -0.353 19945 1245 1 2 . 1 1 44 44 LEU C C 44 178.600 178.600 178.877 -0.277 19945 1246 1 2 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.659 2.223 19945 1247 1 2 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.206 0.518 19945 1248 1 2 . 1 1 44 44 LEU H H 44 6.854 6.854 7.514 -0.660 19945 1249 1 2 . 1 1 45 45 GLU N N 45 114.280 114.280 119.591 -5.311 19945 1250 1 2 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.849 -0.222 19945 1251 1 2 . 1 1 45 45 GLU C C 45 176.988 176.988 178.685 -1.697 19945 1252 1 2 . 1 1 45 45 GLU CA C 45 58.676 58.676 59.138 -0.462 19945 1253 1 2 . 1 1 45 45 GLU CB C 45 30.238 30.238 28.939 1.299 19945 1254 1 2 . 1 1 45 45 GLU H H 45 7.571 7.571 7.705 -0.134 19945 1255 1 2 . 1 1 46 46 ALA N N 46 118.860 118.860 121.065 -2.205 19945 1256 1 2 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.064 -0.026 19945 1257 1 2 . 1 1 46 46 ALA C C 46 176.901 176.901 177.975 -1.074 19945 1258 1 2 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.284 0.035 19945 1259 1 2 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.863 0.218 19945 1260 1 2 . 1 1 46 46 ALA H H 46 7.026 7.026 7.464 -0.438 19945 1261 1 2 . 1 1 47 47 TYR N N 47 115.674 115.674 116.327 -0.653 19945 1262 1 2 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.518 0.213 19945 1263 1 2 . 1 1 47 47 TYR C C 47 175.807 175.807 175.926 -0.119 19945 1264 1 2 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.248 -1.641 19945 1265 1 2 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.923 1.739 19945 1266 1 2 . 1 1 47 47 TYR H H 47 7.277 7.277 7.495 -0.218 19945 1267 1 2 . 1 1 48 48 ASP N N 48 121.598 121.598 121.090 0.508 19945 1268 1 2 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.861 0.047 19945 1269 1 2 . 1 1 48 48 ASP C C 48 175.030 175.030 175.608 -0.578 19945 1270 1 2 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.192 0.016 19945 1271 1 2 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.574 -0.928 19945 1272 1 2 . 1 1 48 48 ASP H H 48 9.546 9.546 8.564 0.982 19945 1273 1 2 . 1 1 49 49 ILE N N 49 119.608 119.608 120.366 -0.758 19945 1274 1 2 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.062 0.232 19945 1275 1 2 . 1 1 49 49 ILE C C 49 175.059 175.059 174.565 0.494 19945 1276 1 2 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.490 0.040 19945 1277 1 2 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.842 0.227 19945 1278 1 2 . 1 1 49 49 ILE H H 49 7.331 7.331 7.950 -0.619 19945 1279 1 2 . 1 1 50 50 LEU N N 50 127.901 127.901 127.304 0.597 19945 1280 1 2 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.386 0.274 19945 1281 1 2 . 1 1 50 50 LEU C C 50 174.598 174.598 175.343 -0.745 19945 1282 1 2 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.297 -0.478 19945 1283 1 2 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.072 3.965 19945 1284 1 2 . 1 1 50 50 LEU H H 50 9.095 9.095 9.067 0.028 19945 1285 1 2 . 1 1 51 51 LEU N N 51 123.440 123.440 125.477 -2.037 19945 1286 1 2 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.413 0.619 19945 1287 1 2 . 1 1 51 51 LEU C C 51 175.894 175.894 175.479 0.415 19945 1288 1 2 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.106 -0.795 19945 1289 1 2 . 1 1 51 51 LEU CB C 51 44.318 44.318 45.002 -0.684 19945 1290 1 2 . 1 1 51 51 LEU H H 51 9.275 9.275 9.387 -0.112 19945 1291 1 2 . 1 1 52 52 LEU N N 52 123.320 123.320 124.675 -1.355 19945 1292 1 2 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.465 0.191 19945 1293 1 2 . 1 1 52 52 LEU C C 52 173.763 173.763 175.326 -1.563 19945 1294 1 2 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.503 -0.626 19945 1295 1 2 . 1 1 52 52 LEU CB C 52 41.486 41.486 44.434 -2.949 19945 1296 1 2 . 1 1 52 52 LEU H H 52 9.024 9.024 9.150 -0.126 19945 1297 1 2 . 1 1 53 53 GLY N N 53 110.739 110.739 111.767 -1.028 19945 1298 1 2 . 1 1 53 53 GLY C C 53 174.530 174.530 171.502 3.028 19945 1299 1 2 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.088 -0.099 19945 1300 1 2 . 1 1 53 53 GLY H H 53 9.283 9.283 9.275 0.008 19945 1301 1 2 . 1 1 54 54 ILE N N 54 126.032 126.032 123.948 2.084 19945 1302 1 2 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.610 0.596 19945 1303 1 2 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.883 -0.875 19945 1304 1 2 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.668 1.322 19945 1305 1 2 . 1 1 54 54 ILE H H 54 9.136 9.136 8.218 0.918 19945 1306 1 2 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.985 0.332 19945 1307 1 2 . 1 1 55 55 PRO C C 55 174.771 174.771 176.347 -1.576 19945 1308 1 2 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.853 -0.105 19945 1309 1 2 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.143 -0.129 19945 1310 1 2 . 1 1 56 56 THR N N 56 113.710 113.710 117.176 -3.466 19945 1311 1 2 . 1 1 56 56 THR HA H 56 4.582 4.582 4.838 -0.256 19945 1312 1 2 . 1 1 56 56 THR C C 56 171.719 171.719 174.028 -2.309 19945 1313 1 2 . 1 1 56 56 THR CA C 56 62.383 62.383 62.638 -0.255 19945 1314 1 2 . 1 1 56 56 THR CB C 56 69.692 69.692 70.474 -0.782 19945 1315 1 2 . 1 1 56 56 THR H H 56 6.599 6.599 8.057 -1.458 19945 1316 1 2 . 1 1 57 57 TRP N N 57 130.050 130.050 125.221 4.829 19945 1317 1 2 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.585 -1.959 19945 1318 1 2 . 1 1 57 57 TRP C C 57 172.611 172.611 175.384 -2.773 19945 1319 1 2 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.369 -1.094 19945 1320 1 2 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.050 2.704 19945 1321 1 2 . 1 1 57 57 TRP H H 57 8.865 8.865 8.953 -0.088 19945 1322 1 2 . 1 1 58 58 TYR N N 58 112.793 112.793 115.756 -2.963 19945 1323 1 2 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.890 0.326 19945 1324 1 2 . 1 1 58 58 TYR C C 58 173.619 173.619 174.378 -0.759 19945 1325 1 2 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.842 -1.642 19945 1326 1 2 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.194 -0.994 19945 1327 1 2 . 1 1 58 58 TYR H H 58 5.730 5.730 8.229 -2.499 19945 1328 1 2 . 1 1 59 59 TYR N N 59 112.220 112.220 119.384 -7.164 19945 1329 1 2 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.188 -0.793 19945 1330 1 2 . 1 1 59 59 TYR C C 59 175.865 175.865 174.964 0.901 19945 1331 1 2 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.258 2.202 19945 1332 1 2 . 1 1 59 59 TYR CB C 59 33.610 33.610 39.070 -5.460 19945 1333 1 2 . 1 1 59 59 TYR H H 59 7.661 7.661 7.741 -0.080 19945 1334 1 2 . 1 1 60 60 GLY N N 60 104.550 104.550 110.823 -6.273 19945 1335 1 2 . 1 1 60 60 GLY C C 60 174.483 174.483 173.706 0.777 19945 1336 1 2 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.619 0.559 19945 1337 1 2 . 1 1 60 60 GLY H H 60 8.142 8.142 8.308 -0.166 19945 1338 1 2 . 1 1 61 61 GLU N N 61 120.991 120.991 119.116 1.875 19945 1339 1 2 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.791 -0.353 19945 1340 1 2 . 1 1 61 61 GLU C C 61 175.548 175.548 175.107 0.441 19945 1341 1 2 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.048 1.427 19945 1342 1 2 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.306 -2.806 19945 1343 1 2 . 1 1 61 61 GLU H H 61 8.307 8.307 7.946 0.361 19945 1344 1 2 . 1 1 62 62 ALA N N 62 122.750 122.750 125.620 -2.870 19945 1345 1 2 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.400 -0.194 19945 1346 1 2 . 1 1 62 62 ALA C C 62 176.671 176.671 177.123 -0.452 19945 1347 1 2 . 1 1 62 62 ALA CA C 62 51.810 51.810 52.273 -0.463 19945 1348 1 2 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.830 1.376 19945 1349 1 2 . 1 1 62 62 ALA H H 62 8.722 8.722 8.659 0.063 19945 1350 1 2 . 1 1 63 63 GLN N N 63 120.579 120.579 120.650 -0.071 19945 1351 1 2 . 1 1 63 63 GLN HA H 63 3.886 3.886 3.950 -0.064 19945 1352 1 2 . 1 1 63 63 GLN C C 63 176.757 176.757 176.913 -0.156 19945 1353 1 2 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.634 1.975 19945 1354 1 2 . 1 1 63 63 GLN H H 63 6.302 6.302 8.306 -2.004 19945 1355 1 2 . 1 1 64 64 CYS N N 64 125.487 125.487 125.334 0.153 19945 1356 1 2 . 1 1 64 64 CYS HA H 64 4.111 4.111 3.947 0.164 19945 1357 1 2 . 1 1 64 64 CYS C C 64 174.972 174.972 176.074 -1.102 19945 1358 1 2 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.219 -0.730 19945 1359 1 2 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.255 0.327 19945 1360 1 2 . 1 1 64 64 CYS H H 64 9.091 9.091 8.764 0.327 19945 1361 1 2 . 1 1 65 65 ASP N N 65 120.298 120.298 119.780 0.518 19945 1362 1 2 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.205 0.194 19945 1363 1 2 . 1 1 65 65 ASP C C 65 179.000 179.000 177.224 1.776 19945 1364 1 2 . 1 1 65 65 ASP CA C 65 58.132 58.132 56.915 1.217 19945 1365 1 2 . 1 1 65 65 ASP CB C 65 41.223 41.223 39.726 1.497 19945 1366 1 2 . 1 1 65 65 ASP H H 65 7.093 7.093 8.458 -1.365 19945 1367 1 2 . 1 1 66 66 TRP N N 66 122.608 122.608 118.944 3.664 19945 1368 1 2 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.341 -0.125 19945 1369 1 2 . 1 1 66 66 TRP C C 66 176.930 176.930 177.500 -0.570 19945 1370 1 2 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.254 1.269 19945 1371 1 2 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.516 0.445 19945 1372 1 2 . 1 1 66 66 TRP H H 66 7.394 7.394 7.578 -0.184 19945 1373 1 2 . 1 1 67 67 ASP N N 67 118.860 118.860 119.289 -0.429 19945 1374 1 2 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.752 -0.227 19945 1375 1 2 . 1 1 67 67 ASP C C 67 179.579 179.579 177.633 1.946 19945 1376 1 2 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.954 0.387 19945 1377 1 2 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.614 1.786 19945 1378 1 2 . 1 1 67 67 ASP H H 67 8.087 8.087 7.922 0.165 19945 1379 1 2 . 1 1 68 68 ASP N N 68 116.220 116.220 118.288 -2.068 19945 1380 1 2 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.419 -0.063 19945 1381 1 2 . 1 1 68 68 ASP C C 68 176.873 176.873 177.070 -0.197 19945 1382 1 2 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.166 0.089 19945 1383 1 2 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.143 -0.336 19945 1384 1 2 . 1 1 68 68 ASP H H 68 8.056 8.056 7.981 0.075 19945 1385 1 2 . 1 1 69 69 PHE N N 69 120.493 120.493 118.623 1.870 19945 1386 1 2 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.366 -0.003 19945 1387 1 2 . 1 1 69 69 PHE C C 69 177.103 177.103 176.420 0.683 19945 1388 1 2 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.268 -0.339 19945 1389 1 2 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.858 1.673 19945 1390 1 2 . 1 1 69 69 PHE H H 69 7.659 7.659 7.431 0.228 19945 1391 1 2 . 1 1 70 70 PHE N N 70 122.293 122.293 119.935 2.358 19945 1392 1 2 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.319 0.699 19945 1393 1 2 . 1 1 70 70 PHE C C 70 174.396 174.396 174.634 -0.238 19945 1394 1 2 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.774 -2.651 19945 1395 1 2 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.449 -0.694 19945 1396 1 2 . 1 1 70 70 PHE H H 70 8.197 8.197 8.453 -0.256 19945 1397 1 2 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.517 -0.119 19945 1398 1 2 . 1 1 71 71 PRO C C 71 179.118 179.118 177.525 1.593 19945 1399 1 2 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.834 1.533 19945 1400 1 2 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.185 -0.255 19945 1401 1 2 . 1 1 72 72 THR N N 72 114.461 114.461 113.727 0.734 19945 1402 1 2 . 1 1 72 72 THR HA H 72 3.816 3.816 4.192 -0.376 19945 1403 1 2 . 1 1 72 72 THR C C 72 176.498 176.498 176.300 0.198 19945 1404 1 2 . 1 1 72 72 THR CA C 72 65.803 65.803 64.672 1.131 19945 1405 1 2 . 1 1 72 72 THR CB C 72 67.203 67.203 68.877 -1.674 19945 1406 1 2 . 1 1 72 72 THR H H 72 7.534 7.534 7.626 -0.092 19945 1407 1 2 . 1 1 73 73 LEU N N 73 124.812 124.812 123.473 1.339 19945 1408 1 2 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.127 -0.037 19945 1409 1 2 . 1 1 73 73 LEU C C 73 177.996 177.996 178.238 -0.242 19945 1410 1 2 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.012 0.139 19945 1411 1 2 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.297 1.489 19945 1412 1 2 . 1 1 73 73 LEU H H 73 8.123 8.123 7.925 0.198 19945 1413 1 2 . 1 1 74 74 GLU N N 74 111.877 111.877 117.430 -5.553 19945 1414 1 2 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.105 -0.280 19945 1415 1 2 . 1 1 74 74 GLU C C 74 176.930 176.930 177.920 -0.990 19945 1416 1 2 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.773 -1.098 19945 1417 1 2 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.884 1.137 19945 1418 1 2 . 1 1 74 74 GLU H H 74 7.933 7.933 8.447 -0.514 19945 1419 1 2 . 1 1 75 75 GLU N N 75 116.571 116.571 118.086 -1.515 19945 1420 1 2 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.283 0.064 19945 1421 1 2 . 1 1 75 75 GLU C C 75 177.045 177.045 176.815 0.230 19945 1422 1 2 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.218 -0.192 19945 1423 1 2 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.267 0.242 19945 1424 1 2 . 1 1 75 75 GLU H H 75 7.659 7.659 7.866 -0.207 19945 1425 1 2 . 1 1 76 76 ILE N N 76 123.080 123.080 121.485 1.595 19945 1426 1 2 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.918 -0.141 19945 1427 1 2 . 1 1 76 76 ILE C C 76 174.656 174.656 175.490 -0.834 19945 1428 1 2 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.844 0.230 19945 1429 1 2 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.599 0.406 19945 1430 1 2 . 1 1 76 76 ILE H H 76 7.468 7.468 7.426 0.042 19945 1431 1 2 . 1 1 77 77 ASP N N 77 126.540 126.540 125.744 0.796 19945 1432 1 2 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.640 0.173 19945 1433 1 2 . 1 1 77 77 ASP C C 77 176.614 176.614 175.148 1.466 19945 1434 1 2 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.937 -0.796 19945 1435 1 2 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.452 -1.587 19945 1436 1 2 . 1 1 77 77 ASP H H 77 8.605 8.605 8.755 -0.150 19945 1437 1 2 . 1 1 78 78 PHE N N 78 124.583 124.583 121.400 3.183 19945 1438 1 2 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.678 -0.518 19945 1439 1 2 . 1 1 78 78 PHE C C 78 175.347 175.347 174.994 0.353 19945 1440 1 2 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.925 2.217 19945 1441 1 2 . 1 1 78 78 PHE CB C 78 40.168 40.168 40.411 -0.243 19945 1442 1 2 . 1 1 78 78 PHE H H 78 8.053 8.053 8.133 -0.080 19945 1443 1 2 . 1 1 79 79 ASN N N 79 121.321 121.321 119.168 2.153 19945 1444 1 2 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.638 -0.121 19945 1445 1 2 . 1 1 79 79 ASN C C 79 176.815 176.815 176.822 -0.007 19945 1446 1 2 . 1 1 79 79 ASN CA C 79 56.452 56.452 53.962 2.490 19945 1447 1 2 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.276 0.463 19945 1448 1 2 . 1 1 79 79 ASN H H 79 8.695 8.695 8.551 0.144 19945 1449 1 2 . 1 1 80 80 GLY N N 80 114.150 114.150 113.040 1.110 19945 1450 1 2 . 1 1 80 80 GLY C C 80 174.195 174.195 174.916 -0.721 19945 1451 1 2 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.621 0.025 19945 1452 1 2 . 1 1 80 80 GLY H H 80 8.646 8.646 8.284 0.362 19945 1453 1 2 . 1 1 81 81 LYS N N 81 119.318 119.318 120.802 -1.484 19945 1454 1 2 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.375 0.662 19945 1455 1 2 . 1 1 81 81 LYS C C 81 176.268 176.268 176.094 0.174 19945 1456 1 2 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.425 -0.429 19945 1457 1 2 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.990 -0.035 19945 1458 1 2 . 1 1 81 81 LYS H H 81 8.295 8.295 7.893 0.402 19945 1459 1 2 . 1 1 82 82 LEU N N 82 127.000 127.000 123.096 3.904 19945 1460 1 2 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.061 0.169 19945 1461 1 2 . 1 1 82 82 LEU C C 82 175.347 175.347 175.937 -0.590 19945 1462 1 2 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.392 -0.588 19945 1463 1 2 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.385 0.766 19945 1464 1 2 . 1 1 82 82 LEU H H 82 8.407 8.407 8.782 -0.375 19945 1465 1 2 . 1 1 83 83 VAL N N 83 121.665 121.665 121.491 0.174 19945 1466 1 2 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.426 0.414 19945 1467 1 2 . 1 1 83 83 VAL C C 83 173.417 173.417 174.180 -0.763 19945 1468 1 2 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.108 -0.906 19945 1469 1 2 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.819 0.529 19945 1470 1 2 . 1 1 83 83 VAL H H 83 8.960 8.960 9.104 -0.144 19945 1471 1 2 . 1 1 84 84 ALA N N 84 128.017 128.017 127.472 0.545 19945 1472 1 2 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.458 -0.125 19945 1473 1 2 . 1 1 84 84 ALA C C 84 175.231 175.231 175.422 -0.191 19945 1474 1 2 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.017 0.411 19945 1475 1 2 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.498 0.630 19945 1476 1 2 . 1 1 84 84 ALA H H 84 9.021 9.021 9.071 -0.050 19945 1477 1 2 . 1 1 85 85 LEU N N 85 124.220 124.220 120.932 3.288 19945 1478 1 2 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.534 0.078 19945 1479 1 2 . 1 1 85 85 LEU C C 85 174.454 174.454 175.795 -1.341 19945 1480 1 2 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.280 -0.307 19945 1481 1 2 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.489 0.423 19945 1482 1 2 . 1 1 85 85 LEU H H 85 11.134 11.134 8.907 2.227 19945 1483 1 2 . 1 1 86 86 PHE N N 86 114.461 114.461 117.590 -3.129 19945 1484 1 2 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.241 -0.019 19945 1485 1 2 . 1 1 86 86 PHE C C 86 173.619 173.619 173.613 0.006 19945 1486 1 2 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.088 -0.410 19945 1487 1 2 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.873 1.107 19945 1488 1 2 . 1 1 86 86 PHE H H 86 8.829 8.829 8.847 -0.018 19945 1489 1 2 . 1 1 87 87 GLY N N 87 104.437 104.437 106.195 -1.758 19945 1490 1 2 . 1 1 87 87 GLY C C 87 170.423 170.423 171.485 -1.062 19945 1491 1 2 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.553 0.377 19945 1492 1 2 . 1 1 87 87 GLY H H 87 8.496 8.496 8.743 -0.247 19945 1493 1 2 . 1 1 88 88 CYS N N 88 114.166 114.166 117.127 -2.961 19945 1494 1 2 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.770 1.233 19945 1495 1 2 . 1 1 88 88 CYS C C 88 174.425 174.425 173.588 0.837 19945 1496 1 2 . 1 1 88 88 CYS CA C 88 56.538 56.538 58.314 -1.776 19945 1497 1 2 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.718 -0.417 19945 1498 1 2 . 1 1 88 88 CYS H H 88 5.354 5.354 7.894 -2.540 19945 1499 1 2 . 1 1 89 89 GLY N N 89 109.463 109.463 109.033 0.430 19945 1500 1 2 . 1 1 89 89 GLY C C 89 173.187 173.187 171.746 1.441 19945 1501 1 2 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.867 1.576 19945 1502 1 2 . 1 1 89 89 GLY H H 89 8.404 8.404 8.071 0.333 19945 1503 1 2 . 1 1 90 90 ASP N N 90 123.090 123.090 119.421 3.669 19945 1504 1 2 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.328 0.471 19945 1505 1 2 . 1 1 90 90 ASP C C 90 176.095 176.095 175.973 0.122 19945 1506 1 2 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.103 -0.550 19945 1507 1 2 . 1 1 90 90 ASP CB C 90 43.255 43.255 42.531 0.724 19945 1508 1 2 . 1 1 90 90 ASP H H 90 8.698 8.698 8.399 0.299 19945 1509 1 2 . 1 1 91 91 GLN N N 91 123.780 123.780 126.600 -2.820 19945 1510 1 2 . 1 1 91 91 GLN HA H 91 3.696 3.696 3.763 -0.067 19945 1511 1 2 . 1 1 91 91 GLN C C 91 173.639 173.639 175.825 -2.186 19945 1512 1 2 . 1 1 91 91 GLN CA C 91 57.060 57.060 57.446 -0.386 19945 1513 1 2 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.557 0.884 19945 1514 1 2 . 1 1 91 91 GLN H H 91 9.675 9.675 8.903 0.772 19945 1515 1 2 . 1 1 92 92 GLU N N 92 118.631 118.631 118.971 -0.340 19945 1516 1 2 . 1 1 92 92 GLU HA H 92 4.591 4.591 3.674 0.917 19945 1517 1 2 . 1 1 92 92 GLU C C 92 177.247 177.247 178.570 -1.323 19945 1518 1 2 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.816 -0.481 19945 1519 1 2 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.065 0.705 19945 1520 1 2 . 1 1 92 92 GLU H H 92 8.396 8.396 8.245 0.150 19945 1521 1 2 . 1 1 93 93 ASP N N 93 120.889 120.889 120.827 0.062 19945 1522 1 2 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.373 -0.091 19945 1523 1 2 . 1 1 93 93 ASP C C 93 175.986 175.986 176.422 -0.436 19945 1524 1 2 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.136 0.289 19945 1525 1 2 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.554 -1.304 19945 1526 1 2 . 1 1 93 93 ASP H H 93 7.779 7.779 8.941 -1.162 19945 1527 1 2 . 1 1 94 94 TYR N N 94 117.028 117.028 117.362 -0.334 19945 1528 1 2 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.800 -0.115 19945 1529 1 2 . 1 1 94 94 TYR C C 94 175.519 175.519 175.805 -0.286 19945 1530 1 2 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.272 0.107 19945 1531 1 2 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.940 -1.098 19945 1532 1 2 . 1 1 94 94 TYR H H 94 6.693 6.693 7.548 -0.855 19945 1533 1 2 . 1 1 95 95 ALA N N 95 121.950 121.950 123.256 -1.306 19945 1534 1 2 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.165 -0.009 19945 1535 1 2 . 1 1 95 95 ALA C C 95 179.723 179.723 178.287 1.436 19945 1536 1 2 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.710 1.213 19945 1537 1 2 . 1 1 95 95 ALA CB C 95 20.555 20.555 19.004 1.551 19945 1538 1 2 . 1 1 95 95 ALA H H 95 6.962 6.962 7.563 -0.601 19945 1539 1 2 . 1 1 96 96 GLU N N 96 115.884 115.884 117.086 -1.202 19945 1540 1 2 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.204 0.102 19945 1541 1 2 . 1 1 96 96 GLU C C 96 174.684 174.684 176.533 -1.849 19945 1542 1 2 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.652 -0.667 19945 1543 1 2 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.237 -0.061 19945 1544 1 2 . 1 1 96 96 GLU H H 96 9.327 9.327 8.532 0.795 19945 1545 1 2 . 1 1 97 97 TYR N N 97 121.836 121.836 116.223 5.613 19945 1546 1 2 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.781 0.628 19945 1547 1 2 . 1 1 97 97 TYR C C 97 179.953 179.953 174.535 5.418 19945 1548 1 2 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.456 -0.014 19945 1549 1 2 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.704 2.588 19945 1550 1 2 . 1 1 97 97 TYR H H 97 8.175 8.175 8.125 0.050 19945 1551 1 2 . 1 1 98 98 PHE N N 98 124.580 124.580 124.381 0.199 19945 1552 1 2 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.551 0.586 19945 1553 1 2 . 1 1 98 98 PHE C C 98 174.742 174.742 175.918 -1.176 19945 1554 1 2 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.919 -1.256 19945 1555 1 2 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.640 -0.985 19945 1556 1 2 . 1 1 98 98 PHE H H 98 7.889 7.889 8.068 -0.179 19945 1557 1 2 . 1 1 99 99 CYS N N 99 120.329 120.329 123.151 -2.822 19945 1558 1 2 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.593 0.059 19945 1559 1 2 . 1 1 99 99 CYS C C 99 175.087 175.087 175.294 -0.207 19945 1560 1 2 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.206 2.670 19945 1561 1 2 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.199 -1.199 19945 1562 1 2 . 1 1 99 99 CYS H H 99 8.617 8.617 8.494 0.123 19945 1563 1 2 . 1 1 100 100 ASP N N 100 116.705 116.705 121.618 -4.913 19945 1564 1 2 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.229 -0.284 19945 1565 1 2 . 1 1 100 100 ASP C C 100 178.888 178.888 177.129 1.759 19945 1566 1 2 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.199 0.929 19945 1567 1 2 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.306 0.644 19945 1568 1 2 . 1 1 100 100 ASP H H 100 7.104 7.104 7.890 -0.786 19945 1569 1 2 . 1 1 101 101 ALA N N 101 118.631 118.631 121.149 -2.518 19945 1570 1 2 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.173 -0.022 19945 1571 1 2 . 1 1 101 101 ALA C C 101 178.600 178.600 178.922 -0.322 19945 1572 1 2 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.369 0.028 19945 1573 1 2 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.646 0.164 19945 1574 1 2 . 1 1 101 101 ALA H H 101 8.716 8.716 7.609 1.107 19945 1575 1 2 . 1 1 102 102 LEU N N 102 115.083 115.083 118.484 -3.401 19945 1576 1 2 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.852 -0.238 19945 1577 1 2 . 1 1 102 102 LEU C C 102 179.573 179.573 179.042 0.531 19945 1578 1 2 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.937 -0.092 19945 1579 1 2 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.370 1.344 19945 1580 1 2 . 1 1 102 102 LEU H H 102 7.171 7.171 7.420 -0.249 19945 1581 1 2 . 1 1 103 103 GLY N N 103 104.501 104.501 105.576 -1.075 19945 1582 1 2 . 1 1 103 103 GLY C C 103 175.145 175.145 175.311 -0.166 19945 1583 1 2 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.841 -1.133 19945 1584 1 2 . 1 1 103 103 GLY H H 103 7.365 7.365 7.978 -0.613 19945 1585 1 2 . 1 1 104 104 THR N N 104 118.860 118.860 118.481 0.379 19945 1586 1 2 . 1 1 104 104 THR HA H 104 3.737 3.737 3.874 -0.137 19945 1587 1 2 . 1 1 104 104 THR C C 104 176.354 176.354 175.945 0.409 19945 1588 1 2 . 1 1 104 104 THR CA C 104 65.799 65.799 66.746 -0.947 19945 1589 1 2 . 1 1 104 104 THR CB C 104 67.961 67.961 68.420 -0.459 19945 1590 1 2 . 1 1 104 104 THR H H 104 7.343 7.343 7.163 0.180 19945 1591 1 2 . 1 1 105 105 ILE N N 105 118.663 118.663 121.245 -2.582 19945 1592 1 2 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.495 0.009 19945 1593 1 2 . 1 1 105 105 ILE C C 105 177.391 177.391 177.154 0.237 19945 1594 1 2 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.632 0.918 19945 1595 1 2 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.308 0.442 19945 1596 1 2 . 1 1 105 105 ILE H H 105 7.589 7.589 7.324 0.265 19945 1597 1 2 . 1 1 106 106 ARG N N 106 126.041 126.041 120.559 5.482 19945 1598 1 2 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.736 -0.156 19945 1599 1 2 . 1 1 106 106 ARG C C 106 176.614 176.614 178.021 -1.407 19945 1600 1 2 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.121 0.145 19945 1601 1 2 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.925 -2.609 19945 1602 1 2 . 1 1 106 106 ARG H H 106 7.307 7.307 7.901 -0.594 19945 1603 1 2 . 1 1 107 107 ASP N N 107 117.480 117.480 116.761 0.719 19945 1604 1 2 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.453 -0.105 19945 1605 1 2 . 1 1 107 107 ASP C C 107 177.189 177.189 177.859 -0.670 19945 1606 1 2 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.819 -0.319 19945 1607 1 2 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.731 -1.057 19945 1608 1 2 . 1 1 107 107 ASP H H 107 8.202 8.202 8.026 0.176 19945 1609 1 2 . 1 1 108 108 ILE N N 108 117.715 117.715 118.039 -0.324 19945 1610 1 2 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.970 -0.114 19945 1611 1 2 . 1 1 108 108 ILE C C 108 178.427 178.427 177.701 0.726 19945 1612 1 2 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.453 0.525 19945 1613 1 2 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.011 0.440 19945 1614 1 2 . 1 1 108 108 ILE H H 108 7.107 7.107 7.454 -0.347 19945 1615 1 2 . 1 1 109 109 ILE N N 109 111.534 111.534 118.300 -6.766 19945 1616 1 2 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.556 0.179 19945 1617 1 2 . 1 1 109 109 ILE C C 109 177.305 177.305 177.226 0.079 19945 1618 1 2 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.511 0.094 19945 1619 1 2 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.468 -0.057 19945 1620 1 2 . 1 1 109 109 ILE H H 109 7.501 7.501 8.246 -0.745 19945 1621 1 2 . 1 1 110 110 GLU N N 110 127.123 127.123 122.529 4.594 19945 1622 1 2 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.228 0.070 19945 1623 1 2 . 1 1 110 110 GLU C C 110 177.391 177.391 177.103 0.288 19945 1624 1 2 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.389 1.942 19945 1625 1 2 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.495 -0.647 19945 1626 1 2 . 1 1 110 110 GLU H H 110 8.867 8.867 8.421 0.446 19945 1627 1 2 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.345 0.271 19945 1628 1 2 . 1 1 111 111 PRO C C 111 177.417 177.417 177.879 -0.462 19945 1629 1 2 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.810 0.425 19945 1630 1 2 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.205 -0.170 19945 1631 1 2 . 1 1 112 112 ARG N N 112 114.612 114.612 116.758 -2.146 19945 1632 1 2 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.451 0.117 19945 1633 1 2 . 1 1 112 112 ARG C C 112 175.792 175.792 176.744 -0.952 19945 1634 1 2 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.413 0.328 19945 1635 1 2 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.794 0.710 19945 1636 1 2 . 1 1 112 112 ARG H H 112 6.542 6.542 7.577 -1.035 19945 1637 1 2 . 1 1 113 113 GLY N N 113 106.474 106.474 106.180 0.294 19945 1638 1 2 . 1 1 113 113 GLY C C 113 174.347 174.347 173.924 0.423 19945 1639 1 2 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.106 0.534 19945 1640 1 2 . 1 1 113 113 GLY H H 113 7.845 7.845 8.129 -0.284 19945 1641 1 2 . 1 1 114 114 ALA N N 114 122.280 122.280 123.952 -1.672 19945 1642 1 2 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.744 -0.465 19945 1643 1 2 . 1 1 114 114 ALA C C 114 176.785 176.785 177.584 -0.799 19945 1644 1 2 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.658 0.733 19945 1645 1 2 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.350 0.262 19945 1646 1 2 . 1 1 114 114 ALA H H 114 7.535 7.535 7.942 -0.407 19945 1647 1 2 . 1 1 115 115 THR N N 115 120.909 120.909 120.410 0.499 19945 1648 1 2 . 1 1 115 115 THR HA H 115 4.478 4.478 4.497 -0.019 19945 1649 1 2 . 1 1 115 115 THR C C 115 172.963 172.963 173.512 -0.549 19945 1650 1 2 . 1 1 115 115 THR CA C 115 62.825 62.825 62.823 0.002 19945 1651 1 2 . 1 1 115 115 THR CB C 115 69.501 69.501 69.117 0.384 19945 1652 1 2 . 1 1 115 115 THR H H 115 7.902 7.902 8.797 -0.895 19945 1653 1 2 . 1 1 116 116 ILE N N 116 129.162 129.162 128.662 0.500 19945 1654 1 2 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.022 0.275 19945 1655 1 2 . 1 1 116 116 ILE C C 116 177.056 177.056 176.246 0.810 19945 1656 1 2 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.429 0.094 19945 1657 1 2 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.513 -1.213 19945 1658 1 2 . 1 1 116 116 ILE H H 116 8.784 8.784 8.616 0.168 19945 1659 1 2 . 1 1 117 117 VAL N N 117 122.981 122.981 121.313 1.668 19945 1660 1 2 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.775 -0.181 19945 1661 1 2 . 1 1 117 117 VAL C C 117 175.190 175.190 175.513 -0.323 19945 1662 1 2 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.724 -0.795 19945 1663 1 2 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.798 -2.434 19945 1664 1 2 . 1 1 117 117 VAL H H 117 8.812 8.812 8.739 0.073 19945 1665 1 2 . 1 1 118 118 GLY N N 118 108.558 108.558 107.309 1.249 19945 1666 1 2 . 1 1 118 118 GLY C C 118 175.792 175.792 174.976 0.816 19945 1667 1 2 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.657 2.090 19945 1668 1 2 . 1 1 118 118 GLY H H 118 9.297 9.297 8.899 0.398 19945 1669 1 2 . 1 1 119 119 HIS N N 119 118.402 118.402 118.803 -0.401 19945 1670 1 2 . 1 1 119 119 HIS HA H 119 4.772 4.772 5.015 -0.243 19945 1671 1 2 . 1 1 119 119 HIS C C 119 175.866 175.866 175.311 0.555 19945 1672 1 2 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.831 -2.229 19945 1673 1 2 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.483 -1.627 19945 1674 1 2 . 1 1 119 119 HIS H H 119 8.901 8.901 8.385 0.516 19945 1675 1 2 . 1 1 120 120 TRP N N 120 124.300 124.300 124.404 -0.104 19945 1676 1 2 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.182 1.111 19945 1677 1 2 . 1 1 120 120 TRP C C 120 173.113 173.113 173.294 -0.181 19945 1678 1 2 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.750 -0.246 19945 1679 1 2 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.127 2.159 19945 1680 1 2 . 1 1 120 120 TRP H H 120 8.455 8.455 8.752 -0.297 19945 1681 1 2 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.826 0.771 19945 1682 1 2 . 1 1 121 121 PRO C C 121 176.243 176.243 176.055 0.188 19945 1683 1 2 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.521 0.929 19945 1684 1 2 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.098 -0.001 19945 1685 1 2 . 1 1 122 122 THR N N 122 110.568 110.568 115.880 -5.312 19945 1686 1 2 . 1 1 122 122 THR HA H 122 4.232 4.232 4.454 -0.222 19945 1687 1 2 . 1 1 122 122 THR C C 122 176.424 176.424 175.623 0.801 19945 1688 1 2 . 1 1 122 122 THR CA C 122 62.079 62.079 62.320 -0.241 19945 1689 1 2 . 1 1 122 122 THR CB C 122 68.758 68.758 68.679 0.079 19945 1690 1 2 . 1 1 122 122 THR H H 122 7.560 7.560 8.427 -0.867 19945 1691 1 2 . 1 1 123 123 ALA N N 123 126.038 126.038 122.076 3.962 19945 1692 1 2 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.894 0.375 19945 1693 1 2 . 1 1 123 123 ALA C C 123 178.862 178.862 177.949 0.913 19945 1694 1 2 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.922 0.960 19945 1695 1 2 . 1 1 123 123 ALA CB C 123 18.284 18.284 16.902 1.382 19945 1696 1 2 . 1 1 123 123 ALA H H 123 7.144 7.144 8.310 -1.166 19945 1697 1 2 . 1 1 124 124 GLY N N 124 111.468 111.468 106.211 5.257 19945 1698 1 2 . 1 1 124 124 GLY C C 124 173.775 173.775 175.419 -1.644 19945 1699 1 2 . 1 1 124 124 GLY CA C 124 45.381 45.381 45.196 0.185 19945 1700 1 2 . 1 1 124 124 GLY H H 124 9.058 9.058 8.734 0.324 19945 1701 1 2 . 1 1 125 125 TYR N N 125 119.088 119.088 116.516 2.572 19945 1702 1 2 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.138 0.804 19945 1703 1 2 . 1 1 125 125 TYR C C 125 175.581 175.581 175.077 0.504 19945 1704 1 2 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.322 -2.561 19945 1705 1 2 . 1 1 125 125 TYR CB C 125 40.550 40.550 35.879 4.671 19945 1706 1 2 . 1 1 125 125 TYR H H 125 8.008 8.008 7.963 0.045 19945 1707 1 2 . 1 1 126 126 HIS N N 126 121.799 121.799 118.456 3.343 19945 1708 1 2 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.019 0.994 19945 1709 1 2 . 1 1 126 126 HIS C C 126 171.969 171.969 173.657 -1.688 19945 1710 1 2 . 1 1 126 126 HIS CA C 126 54.147 54.147 57.084 -2.938 19945 1711 1 2 . 1 1 126 126 HIS CB C 126 28.387 28.387 28.415 -0.028 19945 1712 1 2 . 1 1 126 126 HIS H H 126 9.512 9.512 7.766 1.746 19945 1713 1 2 . 1 1 127 127 PHE N N 127 117.258 117.258 115.435 1.823 19945 1714 1 2 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.600 0.323 19945 1715 1 2 . 1 1 127 127 PHE C C 127 172.722 172.722 175.576 -2.854 19945 1716 1 2 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.419 -1.119 19945 1717 1 2 . 1 1 127 127 PHE CB C 127 39.754 39.754 41.179 -1.425 19945 1718 1 2 . 1 1 127 127 PHE H H 127 7.397 7.397 7.740 -0.343 19945 1719 1 2 . 1 1 128 128 GLU N N 128 120.484 120.484 119.888 0.596 19945 1720 1 2 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.308 0.055 19945 1721 1 2 . 1 1 128 128 GLU C C 128 176.033 176.033 176.422 -0.389 19945 1722 1 2 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.249 -1.181 19945 1723 1 2 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.629 1.203 19945 1724 1 2 . 1 1 128 128 GLU H H 128 8.492 8.492 8.990 -0.498 19945 1725 1 2 . 1 1 129 129 ALA N N 129 123.500 123.500 121.344 2.156 19945 1726 1 2 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.832 -0.134 19945 1727 1 2 . 1 1 129 129 ALA C C 129 174.016 174.016 175.210 -1.194 19945 1728 1 2 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.260 0.194 19945 1729 1 2 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.663 0.340 19945 1730 1 2 . 1 1 129 129 ALA H H 129 9.155 9.155 8.372 0.783 19945 1731 1 2 . 1 1 130 130 SER N N 130 110.807 110.807 118.000 -7.193 19945 1732 1 2 . 1 1 130 130 SER HA H 130 4.942 4.942 4.929 0.013 19945 1733 1 2 . 1 1 130 130 SER C C 130 176.665 176.665 175.019 1.646 19945 1734 1 2 . 1 1 130 130 SER CA C 130 57.471 57.471 57.992 -0.521 19945 1735 1 2 . 1 1 130 130 SER CB C 130 67.205 67.205 63.833 3.373 19945 1736 1 2 . 1 1 130 130 SER H H 130 8.101 8.101 8.149 -0.048 19945 1737 1 2 . 1 1 131 131 LYS N N 131 129.963 129.963 124.860 5.103 19945 1738 1 2 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.592 -0.143 19945 1739 1 2 . 1 1 131 131 LYS C C 131 176.533 176.533 177.285 -0.752 19945 1740 1 2 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.943 0.957 19945 1741 1 2 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.565 -0.936 19945 1742 1 2 . 1 1 131 131 LYS H H 131 9.690 9.690 8.861 0.829 19945 1743 1 2 . 1 1 132 132 GLY N N 132 107.870 107.870 108.433 -0.563 19945 1744 1 2 . 1 1 132 132 GLY C C 132 173.354 173.354 173.567 -0.213 19945 1745 1 2 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.191 0.454 19945 1746 1 2 . 1 1 132 132 GLY H H 132 9.187 9.187 7.858 1.329 19945 1747 1 2 . 1 1 133 133 LEU N N 133 119.088 119.088 119.795 -0.707 19945 1748 1 2 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.358 0.285 19945 1749 1 2 . 1 1 133 133 LEU C C 133 177.748 177.748 176.639 1.109 19945 1750 1 2 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.777 -0.301 19945 1751 1 2 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.221 -1.718 19945 1752 1 2 . 1 1 133 133 LEU H H 133 7.098 7.098 7.579 -0.481 19945 1753 1 2 . 1 1 134 134 ALA N N 134 125.720 125.720 124.437 1.283 19945 1754 1 2 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.586 -0.349 19945 1755 1 2 . 1 1 134 134 ALA C C 134 176.695 176.695 176.674 0.021 19945 1756 1 2 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.056 0.232 19945 1757 1 2 . 1 1 134 134 ALA CB C 134 19.612 19.612 21.265 -1.653 19945 1758 1 2 . 1 1 134 134 ALA H H 134 9.154 9.154 9.055 0.099 19945 1759 1 2 . 1 1 135 135 ASP N N 135 114.952 114.952 117.943 -2.991 19945 1760 1 2 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.839 -0.310 19945 1761 1 2 . 1 1 135 135 ASP C C 135 175.130 175.130 175.782 -0.652 19945 1762 1 2 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.397 -0.437 19945 1763 1 2 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.789 -3.261 19945 1764 1 2 . 1 1 135 135 ASP H H 135 8.299 8.299 7.761 0.538 19945 1765 1 2 . 1 1 136 136 ASP N N 136 114.870 114.870 121.272 -6.402 19945 1766 1 2 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.411 -0.076 19945 1767 1 2 . 1 1 136 136 ASP C C 136 176.303 176.303 175.970 0.333 19945 1768 1 2 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.508 1.336 19945 1769 1 2 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.010 -0.146 19945 1770 1 2 . 1 1 136 136 ASP H H 136 8.433 8.433 8.756 -0.323 19945 1771 1 2 . 1 1 137 137 ASP N N 137 113.709 113.709 114.741 -1.032 19945 1772 1 2 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.837 -0.006 19945 1773 1 2 . 1 1 137 137 ASP C C 137 176.514 176.514 174.589 1.925 19945 1774 1 2 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.383 -0.066 19945 1775 1 2 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.267 0.191 19945 1776 1 2 . 1 1 137 137 ASP H H 137 8.232 8.232 8.238 -0.006 19945 1777 1 2 . 1 1 138 138 HIS N N 138 117.829 117.829 118.663 -0.834 19945 1778 1 2 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.160 0.122 19945 1779 1 2 . 1 1 138 138 HIS C C 138 175.130 175.130 173.925 1.205 19945 1780 1 2 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.571 1.028 19945 1781 1 2 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.182 -1.182 19945 1782 1 2 . 1 1 138 138 HIS H H 138 7.764 7.764 8.002 -0.238 19945 1783 1 2 . 1 1 139 139 PHE N N 139 123.553 123.553 122.561 0.992 19945 1784 1 2 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.691 0.328 19945 1785 1 2 . 1 1 139 139 PHE C C 139 177.477 177.477 177.355 0.122 19945 1786 1 2 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.657 -1.098 19945 1787 1 2 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.529 3.343 19945 1788 1 2 . 1 1 139 139 PHE H H 139 9.955 9.955 9.598 0.357 19945 1789 1 2 . 1 1 140 140 VAL N N 140 119.420 119.420 120.520 -1.100 19945 1790 1 2 . 1 1 140 140 VAL HA H 140 3.678 3.678 3.924 -0.246 19945 1791 1 2 . 1 1 140 140 VAL C C 140 173.023 173.023 175.402 -2.379 19945 1792 1 2 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.983 -1.866 19945 1793 1 2 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.634 -0.098 19945 1794 1 2 . 1 1 140 140 VAL H H 140 9.178 9.178 8.743 0.435 19945 1795 1 2 . 1 1 141 141 GLY N N 141 105.680 105.680 102.949 2.731 19945 1796 1 2 . 1 1 141 141 GLY C C 141 171.284 171.284 172.397 -1.113 19945 1797 1 2 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.000 0.721 19945 1798 1 2 . 1 1 141 141 GLY H H 141 6.837 6.837 7.438 -0.601 19945 1799 1 2 . 1 1 142 142 LEU N N 142 118.516 118.516 121.763 -3.247 19945 1800 1 2 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.854 -0.807 19945 1801 1 2 . 1 1 142 142 LEU C C 142 173.725 173.725 174.479 -0.754 19945 1802 1 2 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.078 1.626 19945 1803 1 2 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.744 -2.005 19945 1804 1 2 . 1 1 142 142 LEU H H 142 7.423 7.423 7.739 -0.316 19945 1805 1 2 . 1 1 143 143 ALA N N 143 128.382 128.382 130.197 -1.815 19945 1806 1 2 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.323 0.151 19945 1807 1 2 . 1 1 143 143 ALA C C 143 175.685 175.685 177.209 -1.524 19945 1808 1 2 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.588 -0.957 19945 1809 1 2 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.358 0.489 19945 1810 1 2 . 1 1 143 143 ALA H H 143 5.414 5.414 7.943 -2.529 19945 1811 1 2 . 1 1 144 144 ILE N N 144 126.754 126.754 124.326 2.428 19945 1812 1 2 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.708 0.607 19945 1813 1 2 . 1 1 144 144 ILE C C 144 173.725 173.725 175.137 -1.412 19945 1814 1 2 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.752 -5.031 19945 1815 1 2 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.538 -0.908 19945 1816 1 2 . 1 1 144 144 ILE H H 144 8.849 8.849 8.134 0.715 19945 1817 1 2 . 1 1 145 145 ASP N N 145 125.518 125.518 117.631 7.887 19945 1818 1 2 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.606 1.190 19945 1819 1 2 . 1 1 145 145 ASP C C 145 176.830 176.830 174.992 1.838 19945 1820 1 2 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.648 -2.095 19945 1821 1 2 . 1 1 145 145 ASP CB C 145 43.502 43.502 42.164 1.338 19945 1822 1 2 . 1 1 145 145 ASP H H 145 8.088 8.088 8.088 -0.000 19945 1823 1 2 . 1 1 146 146 GLU N N 146 125.475 125.475 120.789 4.686 19945 1824 1 2 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.504 0.159 19945 1825 1 2 . 1 1 146 146 GLU C C 146 177.132 177.132 175.065 2.067 19945 1826 1 2 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.234 0.039 19945 1827 1 2 . 1 1 146 146 GLU CB C 146 32.250 32.250 30.728 1.522 19945 1828 1 2 . 1 1 146 146 GLU H H 146 8.390 8.390 8.729 -0.339 19945 1829 1 2 . 1 1 147 147 ASP N N 147 120.137 120.137 119.241 0.896 19945 1830 1 2 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.768 -0.201 19945 1831 1 2 . 1 1 147 147 ASP C C 147 178.126 178.126 175.439 2.687 19945 1832 1 2 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.860 2.141 19945 1833 1 2 . 1 1 147 147 ASP CB C 147 43.250 43.250 43.311 -0.061 19945 1834 1 2 . 1 1 147 147 ASP H H 147 8.599 8.599 8.790 -0.191 19945 1835 1 2 . 1 1 148 148 ARG N N 148 115.655 115.655 114.565 1.090 19945 1836 1 2 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.467 0.231 19945 1837 1 2 . 1 1 148 148 ARG C C 148 177.704 177.704 174.609 3.095 19945 1838 1 2 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.714 -3.754 19945 1839 1 2 . 1 1 148 148 ARG CB C 148 30.814 30.814 32.366 -1.552 19945 1840 1 2 . 1 1 148 148 ARG H H 148 9.762 9.762 8.452 1.310 19945 1841 1 2 . 1 1 149 149 GLN N N 149 116.313 116.313 118.601 -2.288 19945 1842 1 2 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.913 0.386 19945 1843 1 2 . 1 1 149 149 GLN C C 149 175.142 175.142 173.799 1.343 19945 1844 1 2 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.512 0.889 19945 1845 1 2 . 1 1 149 149 GLN CB C 149 30.841 30.841 31.641 -0.800 19945 1846 1 2 . 1 1 149 149 GLN H H 149 7.622 7.622 7.734 -0.112 19945 1847 1 2 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.385 0.296 19945 1848 1 2 . 1 1 150 150 PRO C C 150 179.483 179.483 175.945 3.538 19945 1849 1 2 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.265 2.061 19945 1850 1 2 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.102 -1.450 19945 1851 1 2 . 1 1 151 151 GLU N N 151 122.981 122.981 121.929 1.052 19945 1852 1 2 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.431 -0.030 19945 1853 1 2 . 1 1 151 151 GLU C C 151 177.041 177.041 176.543 0.498 19945 1854 1 2 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.153 3.245 19945 1855 1 2 . 1 1 151 151 GLU CB C 151 27.582 27.582 32.180 -4.598 19945 1856 1 2 . 1 1 151 151 GLU H H 151 10.520 10.520 8.324 2.196 19945 1857 1 2 . 1 1 152 152 LEU N N 152 120.119 120.119 116.795 3.324 19945 1858 1 2 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.004 0.687 19945 1859 1 2 . 1 1 152 152 LEU C C 152 177.222 177.222 177.308 -0.086 19945 1860 1 2 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.110 -0.801 19945 1861 1 2 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.145 1.790 19945 1862 1 2 . 1 1 152 152 LEU H H 152 7.589 7.589 8.792 -1.203 19945 1863 1 2 . 1 1 153 153 THR N N 153 119.637 119.637 115.303 4.334 19945 1864 1 2 . 1 1 153 153 THR HA H 153 3.592 3.592 3.874 -0.282 19945 1865 1 2 . 1 1 153 153 THR C C 153 174.178 174.178 176.222 -2.044 19945 1866 1 2 . 1 1 153 153 THR CA C 153 67.960 67.960 66.493 1.468 19945 1867 1 2 . 1 1 153 153 THR CB C 153 69.023 69.023 68.648 0.375 19945 1868 1 2 . 1 1 153 153 THR H H 153 7.469 7.469 8.351 -0.882 19945 1869 1 2 . 1 1 154 154 ALA N N 154 123.665 123.665 122.395 1.270 19945 1870 1 2 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.209 -0.321 19945 1871 1 2 . 1 1 154 154 ALA C C 154 180.417 180.417 179.680 0.737 19945 1872 1 2 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.979 1.559 19945 1873 1 2 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.528 -1.306 19945 1874 1 2 . 1 1 154 154 ALA H H 154 9.077 9.077 8.352 0.725 19945 1875 1 2 . 1 1 155 155 GLU N N 155 119.661 119.661 118.847 0.814 19945 1876 1 2 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.081 0.171 19945 1877 1 2 . 1 1 155 155 GLU C C 155 178.518 178.518 178.992 -0.474 19945 1878 1 2 . 1 1 155 155 GLU CA C 155 58.818 58.818 58.775 0.043 19945 1879 1 2 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.018 0.689 19945 1880 1 2 . 1 1 155 155 GLU H H 155 8.647 8.647 7.995 0.652 19945 1881 1 2 . 1 1 156 156 ARG N N 156 120.739 120.739 120.544 0.195 19945 1882 1 2 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.193 0.025 19945 1883 1 2 . 1 1 156 156 ARG C C 156 177.252 177.252 178.932 -1.680 19945 1884 1 2 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.514 0.955 19945 1885 1 2 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.175 0.848 19945 1886 1 2 . 1 1 156 156 ARG H H 156 8.129 8.129 8.412 -0.283 19945 1887 1 2 . 1 1 157 157 VAL N N 157 117.372 117.372 119.934 -2.562 19945 1888 1 2 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.558 -0.239 19945 1889 1 2 . 1 1 157 157 VAL C C 157 177.192 177.192 177.885 -0.693 19945 1890 1 2 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.652 0.748 19945 1891 1 2 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.371 0.461 19945 1892 1 2 . 1 1 157 157 VAL H H 157 8.578 8.578 7.951 0.627 19945 1893 1 2 . 1 1 158 158 GLU N N 158 118.631 118.631 121.005 -2.374 19945 1894 1 2 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.261 -0.064 19945 1895 1 2 . 1 1 158 158 GLU C C 158 179.995 179.995 179.429 0.566 19945 1896 1 2 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.839 -0.101 19945 1897 1 2 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.488 -0.311 19945 1898 1 2 . 1 1 158 158 GLU H H 158 8.046 8.046 8.460 -0.414 19945 1899 1 2 . 1 1 159 159 LYS N N 159 118.860 118.860 119.685 -0.825 19945 1900 1 2 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.118 0.068 19945 1901 1 2 . 1 1 159 159 LYS C C 159 179.844 179.844 179.258 0.586 19945 1902 1 2 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.519 0.476 19945 1903 1 2 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.575 1.117 19945 1904 1 2 . 1 1 159 159 LYS H H 159 8.522 8.522 8.296 0.226 19945 1905 1 2 . 1 1 160 160 TRP N N 160 125.100 125.100 121.929 3.171 19945 1906 1 2 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.576 -0.206 19945 1907 1 2 . 1 1 160 160 TRP C C 160 178.006 178.006 177.960 0.046 19945 1908 1 2 . 1 1 160 160 TRP CA C 160 62.814 62.814 62.061 0.753 19945 1909 1 2 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.608 -0.816 19945 1910 1 2 . 1 1 160 160 TRP H H 160 9.076 9.076 8.444 0.632 19945 1911 1 2 . 1 1 161 161 VAL N N 161 118.402 118.402 119.510 -1.108 19945 1912 1 2 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.154 0.216 19945 1913 1 2 . 1 1 161 161 VAL C C 161 179.392 179.392 178.215 1.177 19945 1914 1 2 . 1 1 161 161 VAL CA C 161 67.004 67.004 67.018 -0.014 19945 1915 1 2 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.594 -1.244 19945 1916 1 2 . 1 1 161 161 VAL H H 161 9.024 9.024 8.868 0.156 19945 1917 1 2 . 1 1 162 162 LYS N N 162 123.209 123.209 119.174 4.035 19945 1918 1 2 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.929 0.073 19945 1919 1 2 . 1 1 162 162 LYS C C 162 178.759 178.759 179.023 -0.264 19945 1920 1 2 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.000 0.372 19945 1921 1 2 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.214 0.150 19945 1922 1 2 . 1 1 162 162 LYS H H 162 7.820 7.820 8.306 -0.486 19945 1923 1 2 . 1 1 163 163 GLN N N 163 121.722 121.722 118.067 3.655 19945 1924 1 2 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.108 0.082 19945 1925 1 2 . 1 1 163 163 GLN C C 163 179.935 179.935 178.495 1.440 19945 1926 1 2 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.383 1.343 19945 1927 1 2 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.890 0.133 19945 1928 1 2 . 1 1 163 163 GLN H H 163 8.126 8.126 7.502 0.624 19945 1929 1 2 . 1 1 164 164 ILE N N 164 114.390 114.390 117.064 -2.674 19945 1930 1 2 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.579 0.411 19945 1931 1 2 . 1 1 164 164 ILE C C 164 178.156 178.156 177.735 0.421 19945 1932 1 2 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.654 0.522 19945 1933 1 2 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.905 0.773 19945 1934 1 2 . 1 1 164 164 ILE H H 164 9.110 9.110 8.154 0.956 19945 1935 1 2 . 1 1 165 165 SER N N 165 119.660 119.660 117.032 2.628 19945 1936 1 2 . 1 1 165 165 SER HA H 165 3.976 3.976 3.992 -0.016 19945 1937 1 2 . 1 1 165 165 SER C C 165 176.438 176.438 176.589 -0.151 19945 1938 1 2 . 1 1 165 165 SER CA C 165 63.180 63.180 63.345 -0.165 19945 1939 1 2 . 1 1 165 165 SER CB C 165 62.383 62.383 62.925 -0.542 19945 1940 1 2 . 1 1 165 165 SER H H 165 8.278 8.278 8.481 -0.203 19945 1941 1 2 . 1 1 166 166 GLU N N 166 122.290 122.290 120.267 2.023 19945 1942 1 2 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.244 -0.034 19945 1943 1 2 . 1 1 166 166 GLU C C 166 179.965 179.965 178.849 1.116 19945 1944 1 2 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.590 0.605 19945 1945 1 2 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.323 -0.079 19945 1946 1 2 . 1 1 166 166 GLU H H 166 7.345 7.345 7.672 -0.327 19945 1947 1 2 . 1 1 167 167 GLU N N 167 120.787 120.787 120.345 0.442 19945 1948 1 2 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.125 -0.186 19945 1949 1 2 . 1 1 167 167 GLU C C 167 178.518 178.518 178.424 0.094 19945 1950 1 2 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.610 1.390 19945 1951 1 2 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.641 1.159 19945 1952 1 2 . 1 1 167 167 GLU H H 167 8.413 8.413 7.702 0.711 19945 1953 1 2 . 1 1 168 168 LEU N N 168 115.420 115.420 117.082 -1.662 19945 1954 1 2 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.156 -0.019 19945 1955 1 2 . 1 1 168 168 LEU C C 168 175.896 175.896 176.048 -0.152 19945 1956 1 2 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.767 0.013 19945 1957 1 2 . 1 1 168 168 LEU CB C 168 43.300 43.300 41.903 1.397 19945 1958 1 2 . 1 1 168 168 LEU H H 168 8.553 8.553 8.027 0.526 19945 1959 1 2 . 1 1 169 169 HIS N N 169 113.347 113.347 111.217 2.130 19945 1960 1 2 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.288 0.063 19945 1961 1 2 . 1 1 169 169 HIS C C 169 175.835 175.835 175.811 0.024 19945 1962 1 2 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.143 -0.870 19945 1963 1 2 . 1 1 169 169 HIS CB C 169 25.722 25.722 27.347 -1.625 19945 1964 1 2 . 1 1 169 169 HIS H H 169 7.550 7.550 7.642 -0.092 19945 1965 1 2 . 1 1 170 170 LEU N N 170 117.250 117.250 114.569 2.681 19945 1966 1 2 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.489 -0.486 19945 1967 1 2 . 1 1 170 170 LEU C C 170 178.096 178.096 177.634 0.462 19945 1968 1 2 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.349 1.619 19945 1969 1 2 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.296 0.562 19945 1970 1 2 . 1 1 170 170 LEU H H 170 8.069 8.069 7.768 0.301 19945 1971 1 2 . 1 1 171 171 ASP N N 171 117.300 117.300 120.798 -3.498 19945 1972 1 2 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.257 0.078 19945 1973 1 2 . 1 1 171 171 ASP C C 171 177.915 177.915 178.083 -0.168 19945 1974 1 2 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.331 -1.641 19945 1975 1 2 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.761 -0.701 19945 1976 1 2 . 1 1 171 171 ASP H H 171 8.732 8.732 8.472 0.260 19945 1977 1 2 . 1 1 172 172 GLU N N 172 119.203 119.203 115.954 3.249 19945 1978 1 2 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.187 0.040 19945 1979 1 2 . 1 1 172 172 GLU C C 172 178.277 178.277 177.228 1.049 19945 1980 1 2 . 1 1 172 172 GLU CA C 172 58.132 58.132 57.712 0.420 19945 1981 1 2 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.563 0.437 19945 1982 1 2 . 1 1 172 172 GLU H H 172 7.804 7.804 7.964 -0.160 19945 1983 1 2 . 1 1 173 173 ILE N N 173 119.519 119.519 117.376 2.143 19945 1984 1 2 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.063 -0.010 19945 1985 1 2 . 1 1 173 173 ILE C C 173 178.006 178.006 177.905 0.101 19945 1986 1 2 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.584 0.016 19945 1987 1 2 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.268 -0.268 19945 1988 1 2 . 1 1 173 173 ILE H H 173 7.787 7.787 7.572 0.215 19945 1989 1 2 . 1 1 174 174 LEU N N 174 121.260 121.260 116.465 4.795 19945 1990 1 2 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.430 -0.144 19945 1991 1 2 . 1 1 174 174 LEU C C 174 177.704 177.704 177.338 0.366 19945 1992 1 2 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.004 -0.731 19945 1993 1 2 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.609 -0.150 19945 1994 1 2 . 1 1 174 174 LEU H H 174 8.241 8.241 8.341 -0.100 19945 1995 1 2 . 1 1 175 175 ASN N N 175 118.280 118.280 117.993 0.287 19945 1996 1 2 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.833 -0.004 19945 1997 1 2 . 1 1 175 175 ASN C C 175 173.846 173.846 174.772 -0.926 19945 1998 1 2 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.727 1.495 19945 1999 1 2 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.307 -0.036 19945 2000 1 2 . 1 1 175 175 ASN H H 175 7.883 7.883 8.194 -0.311 19945 2001 1 3 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.439 -0.187 19945 2002 1 3 . 1 1 2 2 ALA C C 2 174.479 174.479 177.368 -2.889 19945 2003 1 3 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.813 0.655 19945 2004 1 3 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.504 -0.337 19945 2005 1 3 . 1 1 3 3 ILE N N 3 116.571 116.571 113.376 3.195 19945 2006 1 3 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.736 -0.191 19945 2007 1 3 . 1 1 3 3 ILE C C 3 175.806 175.806 175.522 0.284 19945 2008 1 3 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.226 1.969 19945 2009 1 3 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.925 -0.515 19945 2010 1 3 . 1 1 3 3 ILE H H 3 8.456 8.456 8.479 -0.023 19945 2011 1 3 . 1 1 4 4 THR N N 4 115.734 115.734 118.430 -2.696 19945 2012 1 3 . 1 1 4 4 THR HA H 4 5.124 5.124 5.033 0.091 19945 2013 1 3 . 1 1 4 4 THR C C 4 172.410 172.410 173.468 -1.058 19945 2014 1 3 . 1 1 4 4 THR CA C 4 61.724 61.724 60.852 0.872 19945 2015 1 3 . 1 1 4 4 THR CB C 4 70.059 70.059 70.598 -0.539 19945 2016 1 3 . 1 1 4 4 THR H H 4 8.244 8.244 8.027 0.217 19945 2017 1 3 . 1 1 5 5 GLY N N 5 116.016 116.016 112.449 3.567 19945 2018 1 3 . 1 1 5 5 GLY C C 5 171.077 171.077 172.352 -1.275 19945 2019 1 3 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.225 0.284 19945 2020 1 3 . 1 1 5 5 GLY H H 5 8.554 8.554 8.796 -0.242 19945 2021 1 3 . 1 1 6 6 ILE N N 6 126.504 126.504 126.357 0.147 19945 2022 1 3 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.691 0.760 19945 2023 1 3 . 1 1 6 6 ILE C C 6 175.245 175.245 174.366 0.879 19945 2024 1 3 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.114 -1.196 19945 2025 1 3 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.683 -0.475 19945 2026 1 3 . 1 1 6 6 ILE H H 6 8.719 8.719 8.673 0.046 19945 2027 1 3 . 1 1 7 7 PHE N N 7 127.559 127.559 126.836 0.723 19945 2028 1 3 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.817 -0.204 19945 2029 1 3 . 1 1 7 7 PHE C C 7 174.634 174.634 175.327 -0.693 19945 2030 1 3 . 1 1 7 7 PHE CA C 7 55.663 55.663 55.927 -0.264 19945 2031 1 3 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.813 -0.125 19945 2032 1 3 . 1 1 7 7 PHE H H 7 9.609 9.609 9.468 0.141 19945 2033 1 3 . 1 1 8 8 PHE N N 8 120.006 120.006 119.493 0.513 19945 2034 1 3 . 1 1 8 8 PHE HA H 8 6.224 6.224 6.002 0.222 19945 2035 1 3 . 1 1 8 8 PHE C C 8 171.212 171.212 173.908 -2.696 19945 2036 1 3 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.119 -0.440 19945 2037 1 3 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.788 0.734 19945 2038 1 3 . 1 1 8 8 PHE H H 8 8.545 8.545 8.738 -0.193 19945 2039 1 3 . 1 1 9 9 GLY N N 9 109.650 109.650 107.090 2.560 19945 2040 1 3 . 1 1 9 9 GLY C C 9 172.512 172.512 172.693 -0.181 19945 2041 1 3 . 1 1 9 9 GLY CA C 9 44.318 44.318 44.276 0.042 19945 2042 1 3 . 1 1 9 9 GLY H H 9 7.701 7.701 8.756 -1.055 19945 2043 1 3 . 1 1 10 10 SER N N 10 115.953 115.953 115.544 0.409 19945 2044 1 3 . 1 1 10 10 SER HA H 10 5.001 5.001 5.013 -0.012 19945 2045 1 3 . 1 1 10 10 SER C C 10 173.439 173.439 172.841 0.598 19945 2046 1 3 . 1 1 10 10 SER CA C 10 58.308 58.308 57.962 0.346 19945 2047 1 3 . 1 1 10 10 SER CB C 10 66.423 66.423 66.473 -0.050 19945 2048 1 3 . 1 1 10 10 SER H H 10 8.634 8.634 8.222 0.412 19945 2049 1 3 . 1 1 11 11 ASP N N 11 104.000 104.000 121.215 -17.215 19945 2050 1 3 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.749 0.225 19945 2051 1 3 . 1 1 11 11 ASP C C 11 179.108 179.108 177.310 1.798 19945 2052 1 3 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.174 0.375 19945 2053 1 3 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.069 -0.969 19945 2054 1 3 . 1 1 11 11 ASP H H 11 11.201 11.201 8.542 2.659 19945 2055 1 3 . 1 1 12 12 THR N N 12 112.000 112.000 111.795 0.205 19945 2056 1 3 . 1 1 12 12 THR HA H 12 4.804 4.804 4.455 0.349 19945 2057 1 3 . 1 1 12 12 THR C C 12 175.080 175.080 175.162 -0.082 19945 2058 1 3 . 1 1 12 12 THR CA C 12 60.237 60.237 62.150 -1.913 19945 2059 1 3 . 1 1 12 12 THR CB C 12 68.567 68.567 69.208 -0.641 19945 2060 1 3 . 1 1 12 12 THR H H 12 9.311 9.311 8.163 1.148 19945 2061 1 3 . 1 1 13 13 GLY N N 13 112.221 112.221 109.752 2.469 19945 2062 1 3 . 1 1 13 13 GLY C C 13 176.690 176.690 175.283 1.407 19945 2063 1 3 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.505 0.795 19945 2064 1 3 . 1 1 13 13 GLY H H 13 8.000 8.000 8.414 -0.414 19945 2065 1 3 . 1 1 14 14 ASN N N 14 128.520 128.520 118.358 10.162 19945 2066 1 3 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.434 0.192 19945 2067 1 3 . 1 1 14 14 ASN C C 14 178.888 178.888 176.821 2.067 19945 2068 1 3 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.630 1.434 19945 2069 1 3 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.711 -1.877 19945 2070 1 3 . 1 1 14 14 ASN H H 14 11.112 11.112 8.543 2.569 19945 2071 1 3 . 1 1 15 15 THR N N 15 122.550 122.550 117.400 5.150 19945 2072 1 3 . 1 1 15 15 THR HA H 15 4.369 4.369 4.115 0.254 19945 2073 1 3 . 1 1 15 15 THR C C 15 176.786 176.786 175.911 0.875 19945 2074 1 3 . 1 1 15 15 THR CA C 15 67.325 67.325 66.260 1.065 19945 2075 1 3 . 1 1 15 15 THR CB C 15 67.961 67.961 68.683 -0.722 19945 2076 1 3 . 1 1 15 15 THR H H 15 11.327 11.327 7.878 3.449 19945 2077 1 3 . 1 1 16 16 GLU N N 16 120.578 120.578 122.485 -1.907 19945 2078 1 3 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.933 -0.646 19945 2079 1 3 . 1 1 16 16 GLU C C 16 176.642 176.642 178.213 -1.571 19945 2080 1 3 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.132 -0.063 19945 2081 1 3 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.126 -0.749 19945 2082 1 3 . 1 1 16 16 GLU H H 16 6.590 6.590 7.984 -1.394 19945 2083 1 3 . 1 1 17 17 ASN N N 17 118.000 118.000 118.345 -0.345 19945 2084 1 3 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.411 -0.101 19945 2085 1 3 . 1 1 17 17 ASN C C 17 178.255 178.255 177.708 0.547 19945 2086 1 3 . 1 1 17 17 ASN CA C 17 56.301 56.301 56.135 0.166 19945 2087 1 3 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.271 -0.633 19945 2088 1 3 . 1 1 17 17 ASN H H 17 7.705 7.705 7.895 -0.190 19945 2089 1 3 . 1 1 18 18 ILE N N 18 119.430 119.430 120.228 -0.798 19945 2090 1 3 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.665 -0.013 19945 2091 1 3 . 1 1 18 18 ILE C C 18 177.564 177.564 177.618 -0.054 19945 2092 1 3 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.723 -1.223 19945 2093 1 3 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.643 -2.092 19945 2094 1 3 . 1 1 18 18 ILE H H 18 8.141 8.141 8.047 0.094 19945 2095 1 3 . 1 1 19 19 ALA N N 19 123.208 123.208 122.423 0.785 19945 2096 1 3 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.831 -0.162 19945 2097 1 3 . 1 1 19 19 ALA C C 19 178.888 178.888 179.631 -0.743 19945 2098 1 3 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.598 0.057 19945 2099 1 3 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.160 0.655 19945 2100 1 3 . 1 1 19 19 ALA H H 19 8.304 8.304 8.546 -0.242 19945 2101 1 3 . 1 1 20 20 LYS N N 20 116.460 116.460 118.759 -2.299 19945 2102 1 3 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.975 -0.160 19945 2103 1 3 . 1 1 20 20 LYS C C 20 179.666 179.666 179.216 0.450 19945 2104 1 3 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.320 0.502 19945 2105 1 3 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.347 -0.249 19945 2106 1 3 . 1 1 20 20 LYS H H 20 7.722 7.722 7.859 -0.137 19945 2107 1 3 . 1 1 21 21 MET N N 21 123.880 123.880 118.822 5.058 19945 2108 1 3 . 1 1 21 21 MET HA H 21 3.946 3.946 4.009 -0.063 19945 2109 1 3 . 1 1 21 21 MET C C 21 179.435 179.435 178.467 0.968 19945 2110 1 3 . 1 1 21 21 MET CA C 21 59.662 59.662 59.648 0.014 19945 2111 1 3 . 1 1 21 21 MET CB C 21 34.262 34.262 32.523 1.739 19945 2112 1 3 . 1 1 21 21 MET H H 21 8.336 8.336 8.156 0.180 19945 2113 1 3 . 1 1 22 22 ILE N N 22 122.065 122.065 120.210 1.855 19945 2114 1 3 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.494 -0.249 19945 2115 1 3 . 1 1 22 22 ILE C C 22 177.592 177.592 177.583 0.009 19945 2116 1 3 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.916 -0.192 19945 2117 1 3 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.318 0.359 19945 2118 1 3 . 1 1 22 22 ILE H H 22 8.500 8.500 8.380 0.120 19945 2119 1 3 . 1 1 23 23 GLN N N 23 119.264 119.264 119.990 -0.726 19945 2120 1 3 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.820 -0.376 19945 2121 1 3 . 1 1 23 23 GLN C C 23 177.017 177.017 178.309 -1.292 19945 2122 1 3 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.390 0.301 19945 2123 1 3 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.594 -0.746 19945 2124 1 3 . 1 1 23 23 GLN H H 23 7.985 7.985 8.272 -0.287 19945 2125 1 3 . 1 1 24 24 LYS N N 24 118.970 118.970 118.574 0.396 19945 2126 1 3 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.015 -0.095 19945 2127 1 3 . 1 1 24 24 LYS C C 24 178.427 178.427 179.530 -1.103 19945 2128 1 3 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.703 0.457 19945 2129 1 3 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.927 0.437 19945 2130 1 3 . 1 1 24 24 LYS H H 24 7.942 7.942 8.102 -0.160 19945 2131 1 3 . 1 1 25 25 GLN N N 25 118.400 118.400 118.118 0.282 19945 2132 1 3 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.076 -0.073 19945 2133 1 3 . 1 1 25 25 GLN C C 25 178.226 178.226 178.075 0.151 19945 2134 1 3 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.092 -0.009 19945 2135 1 3 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.859 0.051 19945 2136 1 3 . 1 1 25 25 GLN H H 25 7.636 7.636 7.658 -0.022 19945 2137 1 3 . 1 1 26 26 LEU N N 26 119.080 119.080 117.243 1.837 19945 2138 1 3 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.261 -0.242 19945 2139 1 3 . 1 1 26 26 LEU C C 26 177.247 177.247 177.420 -0.173 19945 2140 1 3 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.713 1.356 19945 2141 1 3 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.472 0.677 19945 2142 1 3 . 1 1 26 26 LEU H H 26 8.098 8.098 8.003 0.095 19945 2143 1 3 . 1 1 27 27 GLY N N 27 107.750 107.750 106.429 1.321 19945 2144 1 3 . 1 1 27 27 GLY C C 27 175.231 175.231 174.232 0.999 19945 2145 1 3 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.469 -0.409 19945 2146 1 3 . 1 1 27 27 GLY H H 27 8.050 8.050 7.957 0.093 19945 2147 1 3 . 1 1 28 28 LYS N N 28 125.187 125.187 122.126 3.061 19945 2148 1 3 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.150 0.073 19945 2149 1 3 . 1 1 28 28 LYS C C 28 176.372 176.372 176.498 -0.126 19945 2150 1 3 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.001 0.928 19945 2151 1 3 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.509 -0.411 19945 2152 1 3 . 1 1 28 28 LYS H H 28 8.786 8.786 8.551 0.235 19945 2153 1 3 . 1 1 29 29 ASP N N 29 115.960 115.960 114.121 1.839 19945 2154 1 3 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.560 0.015 19945 2155 1 3 . 1 1 29 29 ASP C C 29 176.437 176.437 177.697 -1.260 19945 2156 1 3 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.655 -0.445 19945 2157 1 3 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.791 -0.989 19945 2158 1 3 . 1 1 29 29 ASP H H 29 8.919 8.919 8.279 0.640 19945 2159 1 3 . 1 1 30 30 VAL N N 30 120.609 120.609 119.736 0.873 19945 2160 1 3 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.108 -0.052 19945 2161 1 3 . 1 1 30 30 VAL C C 30 174.656 174.656 174.580 0.076 19945 2162 1 3 . 1 1 30 30 VAL CA C 30 63.720 63.720 62.992 0.728 19945 2163 1 3 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.715 -0.877 19945 2164 1 3 . 1 1 30 30 VAL H H 30 7.573 7.573 7.689 -0.116 19945 2165 1 3 . 1 1 31 31 ALA N N 31 123.100 123.100 119.707 3.393 19945 2166 1 3 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.131 0.400 19945 2167 1 3 . 1 1 31 31 ALA C C 31 175.174 175.174 174.769 0.405 19945 2168 1 3 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.126 0.036 19945 2169 1 3 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.282 1.049 19945 2170 1 3 . 1 1 31 31 ALA H H 31 7.951 7.951 8.048 -0.097 19945 2171 1 3 . 1 1 32 32 ASP N N 32 121.576 121.576 120.233 1.343 19945 2172 1 3 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.994 -0.125 19945 2173 1 3 . 1 1 32 32 ASP C C 32 174.771 174.771 173.968 0.803 19945 2174 1 3 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.352 0.059 19945 2175 1 3 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.567 -0.780 19945 2176 1 3 . 1 1 32 32 ASP H H 32 8.175 8.175 8.662 -0.487 19945 2177 1 3 . 1 1 33 33 VAL N N 33 120.428 120.428 121.502 -1.074 19945 2178 1 3 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.851 -0.194 19945 2179 1 3 . 1 1 33 33 VAL C C 33 174.252 174.252 174.371 -0.119 19945 2180 1 3 . 1 1 33 33 VAL CA C 33 61.303 61.303 60.652 0.651 19945 2181 1 3 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.372 -0.496 19945 2182 1 3 . 1 1 33 33 VAL H H 33 8.397 8.397 8.259 0.138 19945 2183 1 3 . 1 1 34 34 HIS N N 34 125.285 125.285 123.807 1.478 19945 2184 1 3 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.941 -0.388 19945 2185 1 3 . 1 1 34 34 HIS C C 34 171.920 171.920 172.458 -0.538 19945 2186 1 3 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.980 -1.409 19945 2187 1 3 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.503 -1.083 19945 2188 1 3 . 1 1 34 34 HIS H H 34 8.945 8.945 8.939 0.006 19945 2189 1 3 . 1 1 35 35 ASP N N 35 124.120 124.120 120.938 3.182 19945 2190 1 3 . 1 1 35 35 ASP HA H 35 3.297 3.297 3.454 -0.157 19945 2191 1 3 . 1 1 35 35 ASP C C 35 179.780 179.780 177.484 2.296 19945 2192 1 3 . 1 1 35 35 ASP CA C 35 51.756 51.756 54.231 -2.475 19945 2193 1 3 . 1 1 35 35 ASP CB C 35 41.396 41.396 41.416 -0.020 19945 2194 1 3 . 1 1 35 35 ASP H H 35 8.589 8.589 8.535 0.054 19945 2195 1 3 . 1 1 36 36 ILE N N 36 106.681 106.681 127.164 -20.483 19945 2196 1 3 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.348 0.206 19945 2197 1 3 . 1 1 36 36 ILE C C 36 175.404 175.404 176.696 -1.292 19945 2198 1 3 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.793 -3.443 19945 2199 1 3 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.062 2.209 19945 2200 1 3 . 1 1 36 36 ILE H H 36 9.705 9.705 8.236 1.469 19945 2201 1 3 . 1 1 37 37 ALA N N 37 123.095 123.095 121.646 1.449 19945 2202 1 3 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.993 0.096 19945 2203 1 3 . 1 1 37 37 ALA C C 37 178.140 178.140 178.023 0.117 19945 2204 1 3 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.210 -0.594 19945 2205 1 3 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.491 0.855 19945 2206 1 3 . 1 1 37 37 ALA H H 37 8.261 8.261 7.985 0.276 19945 2207 1 3 . 1 1 38 38 LYS N N 38 115.312 115.312 117.174 -1.862 19945 2208 1 3 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.216 0.395 19945 2209 1 3 . 1 1 38 38 LYS C C 38 176.498 176.498 177.163 -0.665 19945 2210 1 3 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.715 -2.568 19945 2211 1 3 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.975 0.451 19945 2212 1 3 . 1 1 38 38 LYS H H 38 7.437 7.437 7.625 -0.188 19945 2213 1 3 . 1 1 39 39 SER N N 39 115.623 115.623 114.079 1.544 19945 2214 1 3 . 1 1 39 39 SER HA H 39 5.019 5.019 4.478 0.541 19945 2215 1 3 . 1 1 39 39 SER C C 39 171.402 171.402 173.267 -1.865 19945 2216 1 3 . 1 1 39 39 SER CA C 39 58.929 58.929 58.836 0.093 19945 2217 1 3 . 1 1 39 39 SER CB C 39 65.538 65.538 64.412 1.126 19945 2218 1 3 . 1 1 39 39 SER H H 39 7.051 7.051 7.439 -0.388 19945 2219 1 3 . 1 1 40 40 SER N N 40 118.860 118.860 115.153 3.707 19945 2220 1 3 . 1 1 40 40 SER HA H 40 5.025 5.025 4.914 0.111 19945 2221 1 3 . 1 1 40 40 SER C C 40 174.741 174.741 174.441 0.300 19945 2222 1 3 . 1 1 40 40 SER CA C 40 56.003 56.003 57.147 -1.143 19945 2223 1 3 . 1 1 40 40 SER CB C 40 67.416 67.416 66.124 1.292 19945 2224 1 3 . 1 1 40 40 SER H H 40 9.377 9.377 8.238 1.139 19945 2225 1 3 . 1 1 41 41 LYS N N 41 122.504 122.504 122.944 -0.440 19945 2226 1 3 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.989 -0.251 19945 2227 1 3 . 1 1 41 41 LYS C C 41 177.391 177.391 178.304 -0.913 19945 2228 1 3 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.793 1.180 19945 2229 1 3 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.415 0.892 19945 2230 1 3 . 1 1 41 41 LYS H H 41 9.098 9.098 8.748 0.350 19945 2231 1 3 . 1 1 42 42 GLU N N 42 115.836 115.836 115.527 0.309 19945 2232 1 3 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.118 0.010 19945 2233 1 3 . 1 1 42 42 GLU C C 42 178.773 178.773 178.288 0.485 19945 2234 1 3 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.338 1.654 19945 2235 1 3 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.244 -0.601 19945 2236 1 3 . 1 1 42 42 GLU H H 42 8.839 8.839 8.677 0.162 19945 2237 1 3 . 1 1 43 43 ASP N N 43 119.589 119.589 120.840 -1.251 19945 2238 1 3 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.476 0.010 19945 2239 1 3 . 1 1 43 43 ASP C C 43 177.564 177.564 177.908 -0.344 19945 2240 1 3 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.343 1.258 19945 2241 1 3 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.032 -0.226 19945 2242 1 3 . 1 1 43 43 ASP H H 43 7.794 7.794 7.649 0.145 19945 2243 1 3 . 1 1 44 44 LEU N N 44 118.745 118.745 120.012 -1.267 19945 2244 1 3 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.054 -0.083 19945 2245 1 3 . 1 1 44 44 LEU C C 44 178.600 178.600 179.183 -0.583 19945 2246 1 3 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.982 1.900 19945 2247 1 3 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.105 0.619 19945 2248 1 3 . 1 1 44 44 LEU H H 44 6.854 6.854 7.753 -0.899 19945 2249 1 3 . 1 1 45 45 GLU N N 45 114.280 114.280 117.654 -3.374 19945 2250 1 3 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.961 -0.334 19945 2251 1 3 . 1 1 45 45 GLU C C 45 176.988 176.988 177.125 -0.137 19945 2252 1 3 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.361 0.315 19945 2253 1 3 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.148 1.090 19945 2254 1 3 . 1 1 45 45 GLU H H 45 7.571 7.571 7.708 -0.137 19945 2255 1 3 . 1 1 46 46 ALA N N 46 118.860 118.860 120.291 -1.431 19945 2256 1 3 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.054 -0.016 19945 2257 1 3 . 1 1 46 46 ALA C C 46 176.901 176.901 177.806 -0.905 19945 2258 1 3 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.376 -0.057 19945 2259 1 3 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.179 -0.098 19945 2260 1 3 . 1 1 46 46 ALA H H 46 7.026 7.026 7.352 -0.326 19945 2261 1 3 . 1 1 47 47 TYR N N 47 115.674 115.674 116.985 -1.311 19945 2262 1 3 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.572 0.159 19945 2263 1 3 . 1 1 47 47 TYR C C 47 175.807 175.807 175.196 0.611 19945 2264 1 3 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.736 -1.129 19945 2265 1 3 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.772 1.890 19945 2266 1 3 . 1 1 47 47 TYR H H 47 7.277 7.277 7.482 -0.205 19945 2267 1 3 . 1 1 48 48 ASP N N 48 121.598 121.598 121.437 0.161 19945 2268 1 3 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.670 0.238 19945 2269 1 3 . 1 1 48 48 ASP C C 48 175.030 175.030 175.989 -0.959 19945 2270 1 3 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.205 0.003 19945 2271 1 3 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.143 -0.497 19945 2272 1 3 . 1 1 48 48 ASP H H 48 9.546 9.546 8.934 0.612 19945 2273 1 3 . 1 1 49 49 ILE N N 49 119.608 119.608 119.175 0.433 19945 2274 1 3 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.258 0.036 19945 2275 1 3 . 1 1 49 49 ILE C C 49 175.059 175.059 174.698 0.361 19945 2276 1 3 . 1 1 49 49 ILE CA C 49 60.530 60.530 58.757 1.773 19945 2277 1 3 . 1 1 49 49 ILE CB C 49 40.068 40.068 37.904 2.164 19945 2278 1 3 . 1 1 49 49 ILE H H 49 7.331 7.331 7.512 -0.181 19945 2279 1 3 . 1 1 50 50 LEU N N 50 127.901 127.901 126.992 0.909 19945 2280 1 3 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.437 0.223 19945 2281 1 3 . 1 1 50 50 LEU C C 50 174.598 174.598 175.204 -0.606 19945 2282 1 3 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.641 -0.822 19945 2283 1 3 . 1 1 50 50 LEU CB C 50 48.037 48.037 46.322 1.714 19945 2284 1 3 . 1 1 50 50 LEU H H 50 9.095 9.095 9.022 0.073 19945 2285 1 3 . 1 1 51 51 LEU N N 51 123.440 123.440 123.354 0.086 19945 2286 1 3 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.592 0.440 19945 2287 1 3 . 1 1 51 51 LEU C C 51 175.894 175.894 175.325 0.569 19945 2288 1 3 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.118 -0.807 19945 2289 1 3 . 1 1 51 51 LEU CB C 51 44.318 44.318 46.056 -1.738 19945 2290 1 3 . 1 1 51 51 LEU H H 51 9.275 9.275 9.244 0.031 19945 2291 1 3 . 1 1 52 52 LEU N N 52 123.320 123.320 124.601 -1.281 19945 2292 1 3 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.564 0.092 19945 2293 1 3 . 1 1 52 52 LEU C C 52 173.763 173.763 175.358 -1.595 19945 2294 1 3 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.505 -0.628 19945 2295 1 3 . 1 1 52 52 LEU CB C 52 41.486 41.486 44.687 -3.201 19945 2296 1 3 . 1 1 52 52 LEU H H 52 9.024 9.024 9.195 -0.171 19945 2297 1 3 . 1 1 53 53 GLY N N 53 110.739 110.739 111.688 -0.949 19945 2298 1 3 . 1 1 53 53 GLY C C 53 174.530 174.530 171.498 3.032 19945 2299 1 3 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.233 -0.244 19945 2300 1 3 . 1 1 53 53 GLY H H 53 9.283 9.283 9.327 -0.044 19945 2301 1 3 . 1 1 54 54 ILE N N 54 126.032 126.032 123.665 2.367 19945 2302 1 3 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.690 0.516 19945 2303 1 3 . 1 1 54 54 ILE CA C 54 56.007 56.007 57.010 -1.003 19945 2304 1 3 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.775 1.215 19945 2305 1 3 . 1 1 54 54 ILE H H 54 9.136 9.136 8.380 0.756 19945 2306 1 3 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.894 0.423 19945 2307 1 3 . 1 1 55 55 PRO C C 55 174.771 174.771 176.621 -1.850 19945 2308 1 3 . 1 1 55 55 PRO CA C 55 61.748 61.748 62.117 -0.369 19945 2309 1 3 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.682 0.332 19945 2310 1 3 . 1 1 56 56 THR N N 56 113.710 113.710 117.426 -3.716 19945 2311 1 3 . 1 1 56 56 THR HA H 56 4.582 4.582 4.842 -0.260 19945 2312 1 3 . 1 1 56 56 THR C C 56 171.719 171.719 174.051 -2.332 19945 2313 1 3 . 1 1 56 56 THR CA C 56 62.383 62.383 62.644 -0.261 19945 2314 1 3 . 1 1 56 56 THR CB C 56 69.692 69.692 70.313 -0.621 19945 2315 1 3 . 1 1 56 56 THR H H 56 6.599 6.599 8.205 -1.606 19945 2316 1 3 . 1 1 57 57 TRP N N 57 130.050 130.050 125.096 4.954 19945 2317 1 3 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.476 -1.850 19945 2318 1 3 . 1 1 57 57 TRP C C 57 172.611 172.611 175.483 -2.872 19945 2319 1 3 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.951 -0.676 19945 2320 1 3 . 1 1 57 57 TRP CB C 57 34.754 34.754 31.902 2.852 19945 2321 1 3 . 1 1 57 57 TRP H H 57 8.865 8.865 8.829 0.036 19945 2322 1 3 . 1 1 58 58 TYR N N 58 112.793 112.793 115.407 -2.614 19945 2323 1 3 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.813 0.403 19945 2324 1 3 . 1 1 58 58 TYR C C 58 173.619 173.619 174.991 -1.372 19945 2325 1 3 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.322 -1.122 19945 2326 1 3 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.775 -0.575 19945 2327 1 3 . 1 1 58 58 TYR H H 58 5.730 5.730 8.180 -2.450 19945 2328 1 3 . 1 1 59 59 TYR N N 59 112.220 112.220 118.721 -6.501 19945 2329 1 3 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.200 -0.805 19945 2330 1 3 . 1 1 59 59 TYR C C 59 175.865 175.865 174.650 1.215 19945 2331 1 3 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.304 2.156 19945 2332 1 3 . 1 1 59 59 TYR CB C 59 33.610 33.610 38.582 -4.972 19945 2333 1 3 . 1 1 59 59 TYR H H 59 7.661 7.661 7.949 -0.288 19945 2334 1 3 . 1 1 60 60 GLY N N 60 104.550 104.550 108.117 -3.567 19945 2335 1 3 . 1 1 60 60 GLY C C 60 174.483 174.483 174.520 -0.037 19945 2336 1 3 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.630 0.548 19945 2337 1 3 . 1 1 60 60 GLY H H 60 8.142 8.142 7.901 0.241 19945 2338 1 3 . 1 1 61 61 GLU N N 61 120.991 120.991 119.105 1.886 19945 2339 1 3 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.848 -0.410 19945 2340 1 3 . 1 1 61 61 GLU C C 61 175.548 175.548 175.317 0.231 19945 2341 1 3 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.138 1.339 19945 2342 1 3 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.413 -2.913 19945 2343 1 3 . 1 1 61 61 GLU H H 61 8.307 8.307 8.217 0.090 19945 2344 1 3 . 1 1 62 62 ALA N N 62 122.750 122.750 123.774 -1.024 19945 2345 1 3 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.518 -0.312 19945 2346 1 3 . 1 1 62 62 ALA C C 62 176.671 176.671 177.648 -0.977 19945 2347 1 3 . 1 1 62 62 ALA CA C 62 51.810 51.810 52.023 -0.213 19945 2348 1 3 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.047 1.159 19945 2349 1 3 . 1 1 62 62 ALA H H 62 8.722 8.722 8.631 0.091 19945 2350 1 3 . 1 1 63 63 GLN N N 63 120.579 120.579 118.327 2.252 19945 2351 1 3 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.460 -0.574 19945 2352 1 3 . 1 1 63 63 GLN C C 63 176.757 176.757 177.584 -0.827 19945 2353 1 3 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.559 2.050 19945 2354 1 3 . 1 1 63 63 GLN H H 63 6.302 6.302 8.722 -2.420 19945 2355 1 3 . 1 1 64 64 CYS N N 64 125.487 125.487 120.642 4.845 19945 2356 1 3 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.012 0.099 19945 2357 1 3 . 1 1 64 64 CYS C C 64 174.972 174.972 176.234 -1.262 19945 2358 1 3 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.842 -1.353 19945 2359 1 3 . 1 1 64 64 CYS CB C 64 27.582 27.582 26.836 0.746 19945 2360 1 3 . 1 1 64 64 CYS H H 64 9.091 9.091 9.228 -0.137 19945 2361 1 3 . 1 1 65 65 ASP N N 65 120.298 120.298 120.184 0.114 19945 2362 1 3 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.249 0.150 19945 2363 1 3 . 1 1 65 65 ASP C C 65 179.000 179.000 177.119 1.881 19945 2364 1 3 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.347 0.785 19945 2365 1 3 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.068 1.155 19945 2366 1 3 . 1 1 65 65 ASP H H 65 7.093 7.093 8.407 -1.314 19945 2367 1 3 . 1 1 66 66 TRP N N 66 122.608 122.608 119.514 3.094 19945 2368 1 3 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.281 -0.065 19945 2369 1 3 . 1 1 66 66 TRP C C 66 176.930 176.930 177.532 -0.602 19945 2370 1 3 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.985 1.538 19945 2371 1 3 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.655 0.306 19945 2372 1 3 . 1 1 66 66 TRP H H 66 7.394 7.394 7.404 -0.010 19945 2373 1 3 . 1 1 67 67 ASP N N 67 118.860 118.860 118.642 0.218 19945 2374 1 3 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.622 -0.097 19945 2375 1 3 . 1 1 67 67 ASP C C 67 179.579 179.579 177.682 1.897 19945 2376 1 3 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.926 0.415 19945 2377 1 3 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.739 1.661 19945 2378 1 3 . 1 1 67 67 ASP H H 67 8.087 8.087 7.951 0.136 19945 2379 1 3 . 1 1 68 68 ASP N N 68 116.220 116.220 118.509 -2.289 19945 2380 1 3 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.452 -0.096 19945 2381 1 3 . 1 1 68 68 ASP C C 68 176.873 176.873 176.973 -0.100 19945 2382 1 3 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.819 0.436 19945 2383 1 3 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.119 -0.312 19945 2384 1 3 . 1 1 68 68 ASP H H 68 8.056 8.056 7.919 0.137 19945 2385 1 3 . 1 1 69 69 PHE N N 69 120.493 120.493 118.060 2.433 19945 2386 1 3 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.396 -0.033 19945 2387 1 3 . 1 1 69 69 PHE C C 69 177.103 177.103 176.342 0.761 19945 2388 1 3 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.772 -0.843 19945 2389 1 3 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.273 1.257 19945 2390 1 3 . 1 1 69 69 PHE H H 69 7.659 7.659 7.506 0.153 19945 2391 1 3 . 1 1 70 70 PHE N N 70 122.293 122.293 119.725 2.568 19945 2392 1 3 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.412 0.606 19945 2393 1 3 . 1 1 70 70 PHE C C 70 174.396 174.396 174.738 -0.342 19945 2394 1 3 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.520 -2.397 19945 2395 1 3 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.477 -0.722 19945 2396 1 3 . 1 1 70 70 PHE H H 70 8.197 8.197 8.185 0.012 19945 2397 1 3 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.356 0.042 19945 2398 1 3 . 1 1 71 71 PRO C C 71 179.118 179.118 177.496 1.622 19945 2399 1 3 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.001 1.366 19945 2400 1 3 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.205 -0.275 19945 2401 1 3 . 1 1 72 72 THR N N 72 114.461 114.461 113.792 0.669 19945 2402 1 3 . 1 1 72 72 THR HA H 72 3.816 3.816 4.169 -0.353 19945 2403 1 3 . 1 1 72 72 THR C C 72 176.498 176.498 176.558 -0.060 19945 2404 1 3 . 1 1 72 72 THR CA C 72 65.803 65.803 64.858 0.945 19945 2405 1 3 . 1 1 72 72 THR CB C 72 67.203 67.203 68.614 -1.411 19945 2406 1 3 . 1 1 72 72 THR H H 72 7.534 7.534 7.598 -0.064 19945 2407 1 3 . 1 1 73 73 LEU N N 73 124.812 124.812 123.247 1.565 19945 2408 1 3 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.308 -0.217 19945 2409 1 3 . 1 1 73 73 LEU C C 73 177.996 177.996 177.504 0.492 19945 2410 1 3 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.103 0.048 19945 2411 1 3 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.432 1.354 19945 2412 1 3 . 1 1 73 73 LEU H H 73 8.123 8.123 8.259 -0.136 19945 2413 1 3 . 1 1 74 74 GLU N N 74 111.877 111.877 115.006 -3.129 19945 2414 1 3 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.232 -0.407 19945 2415 1 3 . 1 1 74 74 GLU C C 74 176.930 176.930 177.292 -0.362 19945 2416 1 3 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.066 -0.391 19945 2417 1 3 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.379 0.642 19945 2418 1 3 . 1 1 74 74 GLU H H 74 7.933 7.933 7.826 0.107 19945 2419 1 3 . 1 1 75 75 GLU N N 75 116.571 116.571 118.280 -1.709 19945 2420 1 3 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.283 0.064 19945 2421 1 3 . 1 1 75 75 GLU C C 75 177.045 177.045 176.915 0.130 19945 2422 1 3 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.687 -0.661 19945 2423 1 3 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.551 -0.042 19945 2424 1 3 . 1 1 75 75 GLU H H 75 7.659 7.659 7.841 -0.182 19945 2425 1 3 . 1 1 76 76 ILE N N 76 123.080 123.080 120.519 2.561 19945 2426 1 3 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.921 -0.144 19945 2427 1 3 . 1 1 76 76 ILE C C 76 174.656 174.656 176.029 -1.373 19945 2428 1 3 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.762 -0.688 19945 2429 1 3 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.755 0.250 19945 2430 1 3 . 1 1 76 76 ILE H H 76 7.468 7.468 7.329 0.139 19945 2431 1 3 . 1 1 77 77 ASP N N 77 126.540 126.540 128.526 -1.986 19945 2432 1 3 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.825 -0.012 19945 2433 1 3 . 1 1 77 77 ASP C C 77 176.614 176.614 175.925 0.689 19945 2434 1 3 . 1 1 77 77 ASP CA C 77 53.141 53.141 52.013 1.129 19945 2435 1 3 . 1 1 77 77 ASP CB C 77 40.865 40.865 39.726 1.139 19945 2436 1 3 . 1 1 77 77 ASP H H 77 8.605 8.605 9.203 -0.598 19945 2437 1 3 . 1 1 78 78 PHE N N 78 124.583 124.583 123.660 0.923 19945 2438 1 3 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.283 -0.123 19945 2439 1 3 . 1 1 78 78 PHE C C 78 175.347 175.347 175.860 -0.513 19945 2440 1 3 . 1 1 78 78 PHE CA C 78 59.142 59.142 59.870 -0.728 19945 2441 1 3 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.259 0.909 19945 2442 1 3 . 1 1 78 78 PHE H H 78 8.053 8.053 8.019 0.034 19945 2443 1 3 . 1 1 79 79 ASN N N 79 121.321 121.321 118.568 2.753 19945 2444 1 3 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.465 0.052 19945 2445 1 3 . 1 1 79 79 ASN C C 79 176.815 176.815 176.322 0.493 19945 2446 1 3 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.195 1.257 19945 2447 1 3 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.091 0.648 19945 2448 1 3 . 1 1 79 79 ASN H H 79 8.695 8.695 7.616 1.079 19945 2449 1 3 . 1 1 80 80 GLY N N 80 114.150 114.150 112.536 1.614 19945 2450 1 3 . 1 1 80 80 GLY C C 80 174.195 174.195 174.667 -0.472 19945 2451 1 3 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.346 0.300 19945 2452 1 3 . 1 1 80 80 GLY H H 80 8.646 8.646 8.499 0.147 19945 2453 1 3 . 1 1 81 81 LYS N N 81 119.318 119.318 121.307 -1.989 19945 2454 1 3 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.372 0.665 19945 2455 1 3 . 1 1 81 81 LYS C C 81 176.268 176.268 176.107 0.161 19945 2456 1 3 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.669 -0.673 19945 2457 1 3 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.099 0.856 19945 2458 1 3 . 1 1 81 81 LYS H H 81 8.295 8.295 7.813 0.482 19945 2459 1 3 . 1 1 82 82 LEU N N 82 127.000 127.000 125.045 1.955 19945 2460 1 3 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.968 0.262 19945 2461 1 3 . 1 1 82 82 LEU C C 82 175.347 175.347 175.740 -0.393 19945 2462 1 3 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.352 -0.548 19945 2463 1 3 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.439 0.712 19945 2464 1 3 . 1 1 82 82 LEU H H 82 8.407 8.407 8.329 0.078 19945 2465 1 3 . 1 1 83 83 VAL N N 83 121.665 121.665 123.437 -1.772 19945 2466 1 3 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.459 0.381 19945 2467 1 3 . 1 1 83 83 VAL C C 83 173.417 173.417 174.123 -0.706 19945 2468 1 3 . 1 1 83 83 VAL CA C 83 59.202 59.202 59.986 -0.784 19945 2469 1 3 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.372 -0.024 19945 2470 1 3 . 1 1 83 83 VAL H H 83 8.960 8.960 9.295 -0.335 19945 2471 1 3 . 1 1 84 84 ALA N N 84 128.017 128.017 126.554 1.463 19945 2472 1 3 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.674 -0.341 19945 2473 1 3 . 1 1 84 84 ALA C C 84 175.231 175.231 175.624 -0.393 19945 2474 1 3 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.838 0.590 19945 2475 1 3 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.098 1.030 19945 2476 1 3 . 1 1 84 84 ALA H H 84 9.021 9.021 9.006 0.015 19945 2477 1 3 . 1 1 85 85 LEU N N 85 124.220 124.220 122.117 2.103 19945 2478 1 3 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.568 0.044 19945 2479 1 3 . 1 1 85 85 LEU C C 85 174.454 174.454 175.731 -1.277 19945 2480 1 3 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.340 -0.367 19945 2481 1 3 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.434 0.477 19945 2482 1 3 . 1 1 85 85 LEU H H 85 11.134 11.134 8.941 2.193 19945 2483 1 3 . 1 1 86 86 PHE N N 86 114.461 114.461 118.382 -3.921 19945 2484 1 3 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.421 -0.199 19945 2485 1 3 . 1 1 86 86 PHE C C 86 173.619 173.619 173.909 -0.290 19945 2486 1 3 . 1 1 86 86 PHE CA C 86 54.678 54.678 54.731 -0.053 19945 2487 1 3 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.024 0.956 19945 2488 1 3 . 1 1 86 86 PHE H H 86 8.829 8.829 9.053 -0.224 19945 2489 1 3 . 1 1 87 87 GLY N N 87 104.437 104.437 106.413 -1.976 19945 2490 1 3 . 1 1 87 87 GLY C C 87 170.423 170.423 171.642 -1.219 19945 2491 1 3 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.145 0.784 19945 2492 1 3 . 1 1 87 87 GLY H H 87 8.496 8.496 8.763 -0.267 19945 2493 1 3 . 1 1 88 88 CYS N N 88 114.166 114.166 117.020 -2.854 19945 2494 1 3 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.738 1.265 19945 2495 1 3 . 1 1 88 88 CYS C C 88 174.425 174.425 173.565 0.860 19945 2496 1 3 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.767 -1.229 19945 2497 1 3 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.212 0.089 19945 2498 1 3 . 1 1 88 88 CYS H H 88 5.354 5.354 7.879 -2.525 19945 2499 1 3 . 1 1 89 89 GLY N N 89 109.463 109.463 109.574 -0.111 19945 2500 1 3 . 1 1 89 89 GLY C C 89 173.187 173.187 171.613 1.574 19945 2501 1 3 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.045 1.398 19945 2502 1 3 . 1 1 89 89 GLY H H 89 8.404 8.404 8.217 0.187 19945 2503 1 3 . 1 1 90 90 ASP N N 90 123.090 123.090 118.396 4.694 19945 2504 1 3 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.242 0.557 19945 2505 1 3 . 1 1 90 90 ASP C C 90 176.095 176.095 175.607 0.488 19945 2506 1 3 . 1 1 90 90 ASP CA C 90 52.553 52.553 52.874 -0.321 19945 2507 1 3 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.791 -0.536 19945 2508 1 3 . 1 1 90 90 ASP H H 90 8.698 8.698 8.526 0.172 19945 2509 1 3 . 1 1 91 91 GLN N N 91 123.780 123.780 122.176 1.604 19945 2510 1 3 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.125 -0.429 19945 2511 1 3 . 1 1 91 91 GLN C C 91 173.639 173.639 176.032 -2.393 19945 2512 1 3 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.695 1.365 19945 2513 1 3 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.271 0.170 19945 2514 1 3 . 1 1 91 91 GLN H H 91 9.675 9.675 8.390 1.285 19945 2515 1 3 . 1 1 92 92 GLU N N 92 118.631 118.631 118.916 -0.285 19945 2516 1 3 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.199 0.392 19945 2517 1 3 . 1 1 92 92 GLU C C 92 177.247 177.247 176.678 0.569 19945 2518 1 3 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.188 -0.852 19945 2519 1 3 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.161 0.609 19945 2520 1 3 . 1 1 92 92 GLU H H 92 8.396 8.396 7.914 0.482 19945 2521 1 3 . 1 1 93 93 ASP N N 93 120.889 120.889 117.581 3.308 19945 2522 1 3 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.590 -0.308 19945 2523 1 3 . 1 1 93 93 ASP C C 93 175.986 175.986 177.837 -1.851 19945 2524 1 3 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.895 0.530 19945 2525 1 3 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.215 -1.964 19945 2526 1 3 . 1 1 93 93 ASP H H 93 7.779 7.779 8.478 -0.699 19945 2527 1 3 . 1 1 94 94 TYR N N 94 117.028 117.028 121.637 -4.609 19945 2528 1 3 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.756 -0.071 19945 2529 1 3 . 1 1 94 94 TYR C C 94 175.519 175.519 176.119 -0.600 19945 2530 1 3 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.302 -0.923 19945 2531 1 3 . 1 1 94 94 TYR CB C 94 36.842 36.842 36.509 0.333 19945 2532 1 3 . 1 1 94 94 TYR H H 94 6.693 6.693 8.608 -1.915 19945 2533 1 3 . 1 1 95 95 ALA N N 95 121.950 121.950 123.269 -1.319 19945 2534 1 3 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.114 0.042 19945 2535 1 3 . 1 1 95 95 ALA C C 95 179.723 179.723 178.638 1.085 19945 2536 1 3 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.858 1.065 19945 2537 1 3 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.715 1.840 19945 2538 1 3 . 1 1 95 95 ALA H H 95 6.962 6.962 7.726 -0.764 19945 2539 1 3 . 1 1 96 96 GLU N N 96 115.884 115.884 115.575 0.309 19945 2540 1 3 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.175 0.131 19945 2541 1 3 . 1 1 96 96 GLU C C 96 174.684 174.684 175.793 -1.109 19945 2542 1 3 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.312 -0.327 19945 2543 1 3 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.321 -0.145 19945 2544 1 3 . 1 1 96 96 GLU H H 96 9.327 9.327 8.602 0.725 19945 2545 1 3 . 1 1 97 97 TYR N N 97 121.836 121.836 113.622 8.214 19945 2546 1 3 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.780 0.629 19945 2547 1 3 . 1 1 97 97 TYR C C 97 179.953 179.953 175.045 4.908 19945 2548 1 3 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.156 0.287 19945 2549 1 3 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.143 2.149 19945 2550 1 3 . 1 1 97 97 TYR H H 97 8.175 8.175 7.708 0.467 19945 2551 1 3 . 1 1 98 98 PHE N N 98 124.580 124.580 124.520 0.060 19945 2552 1 3 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.627 0.510 19945 2553 1 3 . 1 1 98 98 PHE C C 98 174.742 174.742 175.938 -1.196 19945 2554 1 3 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.723 -0.060 19945 2555 1 3 . 1 1 98 98 PHE CB C 98 38.655 38.655 38.639 0.016 19945 2556 1 3 . 1 1 98 98 PHE H H 98 7.889 7.889 8.073 -0.184 19945 2557 1 3 . 1 1 99 99 CYS N N 99 120.329 120.329 124.673 -4.344 19945 2558 1 3 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.712 -0.060 19945 2559 1 3 . 1 1 99 99 CYS C C 99 175.087 175.087 175.355 -0.268 19945 2560 1 3 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.133 2.743 19945 2561 1 3 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.010 -1.010 19945 2562 1 3 . 1 1 99 99 CYS H H 99 8.617 8.617 8.926 -0.309 19945 2563 1 3 . 1 1 100 100 ASP N N 100 116.705 116.705 121.933 -5.228 19945 2564 1 3 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.304 -0.359 19945 2565 1 3 . 1 1 100 100 ASP C C 100 178.888 178.888 177.041 1.847 19945 2566 1 3 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.463 0.665 19945 2567 1 3 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.105 0.845 19945 2568 1 3 . 1 1 100 100 ASP H H 100 7.104 7.104 8.197 -1.093 19945 2569 1 3 . 1 1 101 101 ALA N N 101 118.631 118.631 121.088 -2.457 19945 2570 1 3 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.206 -0.055 19945 2571 1 3 . 1 1 101 101 ALA C C 101 178.600 178.600 179.410 -0.810 19945 2572 1 3 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.117 0.280 19945 2573 1 3 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.567 0.243 19945 2574 1 3 . 1 1 101 101 ALA H H 101 8.716 8.716 7.687 1.029 19945 2575 1 3 . 1 1 102 102 LEU N N 102 115.083 115.083 119.013 -3.930 19945 2576 1 3 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.792 -0.178 19945 2577 1 3 . 1 1 102 102 LEU C C 102 179.573 179.573 178.976 0.597 19945 2578 1 3 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.333 0.511 19945 2579 1 3 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.434 1.280 19945 2580 1 3 . 1 1 102 102 LEU H H 102 7.171 7.171 7.606 -0.435 19945 2581 1 3 . 1 1 103 103 GLY N N 103 104.501 104.501 105.374 -0.873 19945 2582 1 3 . 1 1 103 103 GLY C C 103 175.145 175.145 175.406 -0.261 19945 2583 1 3 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.429 -0.721 19945 2584 1 3 . 1 1 103 103 GLY H H 103 7.365 7.365 8.348 -0.983 19945 2585 1 3 . 1 1 104 104 THR N N 104 118.860 118.860 118.279 0.581 19945 2586 1 3 . 1 1 104 104 THR HA H 104 3.737 3.737 3.884 -0.147 19945 2587 1 3 . 1 1 104 104 THR C C 104 176.354 176.354 175.700 0.654 19945 2588 1 3 . 1 1 104 104 THR CA C 104 65.799 65.799 66.703 -0.904 19945 2589 1 3 . 1 1 104 104 THR CB C 104 67.961 67.961 68.376 -0.415 19945 2590 1 3 . 1 1 104 104 THR H H 104 7.343 7.343 7.317 0.026 19945 2591 1 3 . 1 1 105 105 ILE N N 105 118.663 118.663 120.147 -1.484 19945 2592 1 3 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.479 0.025 19945 2593 1 3 . 1 1 105 105 ILE C C 105 177.391 177.391 177.040 0.351 19945 2594 1 3 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.279 1.271 19945 2595 1 3 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.466 0.284 19945 2596 1 3 . 1 1 105 105 ILE H H 105 7.589 7.589 7.208 0.381 19945 2597 1 3 . 1 1 106 106 ARG N N 106 126.041 126.041 120.774 5.267 19945 2598 1 3 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.763 -0.183 19945 2599 1 3 . 1 1 106 106 ARG C C 106 176.614 176.614 178.097 -1.483 19945 2600 1 3 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.107 0.160 19945 2601 1 3 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.954 -2.638 19945 2602 1 3 . 1 1 106 106 ARG H H 106 7.307 7.307 8.002 -0.695 19945 2603 1 3 . 1 1 107 107 ASP N N 107 117.480 117.480 118.289 -0.809 19945 2604 1 3 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.406 -0.058 19945 2605 1 3 . 1 1 107 107 ASP C C 107 177.189 177.189 177.407 -0.218 19945 2606 1 3 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.615 -0.115 19945 2607 1 3 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.628 -0.954 19945 2608 1 3 . 1 1 107 107 ASP H H 107 8.202 8.202 8.121 0.081 19945 2609 1 3 . 1 1 108 108 ILE N N 108 117.715 117.715 118.237 -0.522 19945 2610 1 3 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.969 -0.113 19945 2611 1 3 . 1 1 108 108 ILE C C 108 178.427 178.427 177.602 0.825 19945 2612 1 3 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.322 0.656 19945 2613 1 3 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.018 0.433 19945 2614 1 3 . 1 1 108 108 ILE H H 108 7.107 7.107 7.421 -0.314 19945 2615 1 3 . 1 1 109 109 ILE N N 109 111.534 111.534 118.468 -6.934 19945 2616 1 3 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.239 0.496 19945 2617 1 3 . 1 1 109 109 ILE C C 109 177.305 177.305 177.194 0.111 19945 2618 1 3 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.897 -0.292 19945 2619 1 3 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.296 0.115 19945 2620 1 3 . 1 1 109 109 ILE H H 109 7.501 7.501 8.259 -0.758 19945 2621 1 3 . 1 1 110 110 GLU N N 110 127.123 127.123 122.406 4.717 19945 2622 1 3 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.247 0.051 19945 2623 1 3 . 1 1 110 110 GLU C C 110 177.391 177.391 177.238 0.153 19945 2624 1 3 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.286 2.045 19945 2625 1 3 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.468 -0.620 19945 2626 1 3 . 1 1 110 110 GLU H H 110 8.867 8.867 8.364 0.503 19945 2627 1 3 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.334 0.282 19945 2628 1 3 . 1 1 111 111 PRO C C 111 177.417 177.417 177.906 -0.489 19945 2629 1 3 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.813 0.422 19945 2630 1 3 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.243 -0.208 19945 2631 1 3 . 1 1 112 112 ARG N N 112 114.612 114.612 116.414 -1.802 19945 2632 1 3 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.350 0.218 19945 2633 1 3 . 1 1 112 112 ARG C C 112 175.792 175.792 176.416 -0.624 19945 2634 1 3 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.556 0.185 19945 2635 1 3 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.832 0.672 19945 2636 1 3 . 1 1 112 112 ARG H H 112 6.542 6.542 7.776 -1.234 19945 2637 1 3 . 1 1 113 113 GLY N N 113 106.474 106.474 105.233 1.241 19945 2638 1 3 . 1 1 113 113 GLY C C 113 174.347 174.347 173.853 0.494 19945 2639 1 3 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.042 0.598 19945 2640 1 3 . 1 1 113 113 GLY H H 113 7.845 7.845 7.921 -0.076 19945 2641 1 3 . 1 1 114 114 ALA N N 114 122.280 122.280 123.900 -1.620 19945 2642 1 3 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.899 -0.620 19945 2643 1 3 . 1 1 114 114 ALA C C 114 176.785 176.785 177.083 -0.298 19945 2644 1 3 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.347 1.044 19945 2645 1 3 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.768 -0.156 19945 2646 1 3 . 1 1 114 114 ALA H H 114 7.535 7.535 8.147 -0.612 19945 2647 1 3 . 1 1 115 115 THR N N 115 120.909 120.909 119.974 0.935 19945 2648 1 3 . 1 1 115 115 THR HA H 115 4.478 4.478 4.652 -0.174 19945 2649 1 3 . 1 1 115 115 THR C C 115 172.963 172.963 173.544 -0.581 19945 2650 1 3 . 1 1 115 115 THR CA C 115 62.825 62.825 62.905 -0.080 19945 2651 1 3 . 1 1 115 115 THR CB C 115 69.501 69.501 69.294 0.207 19945 2652 1 3 . 1 1 115 115 THR H H 115 7.902 7.902 8.931 -1.029 19945 2653 1 3 . 1 1 116 116 ILE N N 116 129.162 129.162 128.631 0.531 19945 2654 1 3 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.098 0.199 19945 2655 1 3 . 1 1 116 116 ILE C C 116 177.056 177.056 176.252 0.804 19945 2656 1 3 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.503 0.020 19945 2657 1 3 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.023 -0.723 19945 2658 1 3 . 1 1 116 116 ILE H H 116 8.784 8.784 8.600 0.184 19945 2659 1 3 . 1 1 117 117 VAL N N 117 122.981 122.981 119.585 3.396 19945 2660 1 3 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.942 -0.348 19945 2661 1 3 . 1 1 117 117 VAL C C 117 175.190 175.190 176.109 -0.919 19945 2662 1 3 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.309 -0.380 19945 2663 1 3 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.552 -2.188 19945 2664 1 3 . 1 1 117 117 VAL H H 117 8.812 8.812 8.876 -0.064 19945 2665 1 3 . 1 1 118 118 GLY N N 118 108.558 108.558 106.873 1.685 19945 2666 1 3 . 1 1 118 118 GLY C C 118 175.792 175.792 174.440 1.352 19945 2667 1 3 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.863 1.883 19945 2668 1 3 . 1 1 118 118 GLY H H 118 9.297 9.297 8.607 0.690 19945 2669 1 3 . 1 1 119 119 HIS N N 119 118.402 118.402 117.145 1.257 19945 2670 1 3 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.803 -0.031 19945 2671 1 3 . 1 1 119 119 HIS C C 119 175.866 175.866 174.623 1.243 19945 2672 1 3 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.190 0.412 19945 2673 1 3 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.402 -0.546 19945 2674 1 3 . 1 1 119 119 HIS H H 119 8.901 8.901 7.946 0.955 19945 2675 1 3 . 1 1 120 120 TRP N N 120 124.300 124.300 127.146 -2.846 19945 2676 1 3 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.308 0.985 19945 2677 1 3 . 1 1 120 120 TRP C C 120 173.113 173.113 174.428 -1.315 19945 2678 1 3 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.923 -0.419 19945 2679 1 3 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.672 2.614 19945 2680 1 3 . 1 1 120 120 TRP H H 120 8.455 8.455 9.022 -0.567 19945 2681 1 3 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.215 0.382 19945 2682 1 3 . 1 1 121 121 PRO C C 121 176.243 176.243 176.349 -0.106 19945 2683 1 3 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.601 0.849 19945 2684 1 3 . 1 1 121 121 PRO CB C 121 32.097 32.097 31.759 0.338 19945 2685 1 3 . 1 1 122 122 THR N N 122 110.568 110.568 116.788 -6.220 19945 2686 1 3 . 1 1 122 122 THR HA H 122 4.232 4.232 4.347 -0.115 19945 2687 1 3 . 1 1 122 122 THR C C 122 176.424 176.424 175.367 1.057 19945 2688 1 3 . 1 1 122 122 THR CA C 122 62.079 62.079 61.828 0.251 19945 2689 1 3 . 1 1 122 122 THR CB C 122 68.758 68.758 68.451 0.307 19945 2690 1 3 . 1 1 122 122 THR H H 122 7.560 7.560 8.417 -0.857 19945 2691 1 3 . 1 1 123 123 ALA N N 123 126.038 126.038 122.520 3.518 19945 2692 1 3 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.922 0.347 19945 2693 1 3 . 1 1 123 123 ALA C C 123 178.862 178.862 177.942 0.920 19945 2694 1 3 . 1 1 123 123 ALA CA C 123 53.882 53.882 53.033 0.849 19945 2695 1 3 . 1 1 123 123 ALA CB C 123 18.284 18.284 16.859 1.425 19945 2696 1 3 . 1 1 123 123 ALA H H 123 7.144 7.144 8.095 -0.951 19945 2697 1 3 . 1 1 124 124 GLY N N 124 111.468 111.468 104.533 6.935 19945 2698 1 3 . 1 1 124 124 GLY C C 124 173.775 173.775 174.862 -1.087 19945 2699 1 3 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.764 0.617 19945 2700 1 3 . 1 1 124 124 GLY H H 124 9.058 9.058 8.250 0.808 19945 2701 1 3 . 1 1 125 125 TYR N N 125 119.088 119.088 120.586 -1.498 19945 2702 1 3 . 1 1 125 125 TYR HA H 125 4.942 4.942 3.840 1.102 19945 2703 1 3 . 1 1 125 125 TYR C C 125 175.581 175.581 176.505 -0.924 19945 2704 1 3 . 1 1 125 125 TYR CA C 125 56.762 56.762 60.753 -3.991 19945 2705 1 3 . 1 1 125 125 TYR CB C 125 40.550 40.550 37.652 2.898 19945 2706 1 3 . 1 1 125 125 TYR H H 125 8.008 8.008 7.851 0.157 19945 2707 1 3 . 1 1 126 126 HIS N N 126 121.799 121.799 116.326 5.473 19945 2708 1 3 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.093 0.920 19945 2709 1 3 . 1 1 126 126 HIS C C 126 171.969 171.969 172.780 -0.811 19945 2710 1 3 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.458 -2.311 19945 2711 1 3 . 1 1 126 126 HIS CB C 126 28.387 28.387 28.464 -0.077 19945 2712 1 3 . 1 1 126 126 HIS H H 126 9.512 9.512 8.160 1.352 19945 2713 1 3 . 1 1 127 127 PHE N N 127 117.258 117.258 114.865 2.393 19945 2714 1 3 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.259 0.664 19945 2715 1 3 . 1 1 127 127 PHE C C 127 172.722 172.722 175.670 -2.948 19945 2716 1 3 . 1 1 127 127 PHE CA C 127 55.300 55.300 55.723 -0.423 19945 2717 1 3 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.391 -0.637 19945 2718 1 3 . 1 1 127 127 PHE H H 127 7.397 7.397 6.527 0.870 19945 2719 1 3 . 1 1 128 128 GLU N N 128 120.484 120.484 119.641 0.843 19945 2720 1 3 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.334 0.029 19945 2721 1 3 . 1 1 128 128 GLU C C 128 176.033 176.033 176.278 -0.245 19945 2722 1 3 . 1 1 128 128 GLU CA C 128 57.068 57.068 57.660 -0.592 19945 2723 1 3 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.884 0.948 19945 2724 1 3 . 1 1 128 128 GLU H H 128 8.492 8.492 8.748 -0.256 19945 2725 1 3 . 1 1 129 129 ALA N N 129 123.500 123.500 121.138 2.362 19945 2726 1 3 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.780 -0.082 19945 2727 1 3 . 1 1 129 129 ALA C C 129 174.016 174.016 175.059 -1.043 19945 2728 1 3 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.448 0.006 19945 2729 1 3 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.640 0.363 19945 2730 1 3 . 1 1 129 129 ALA H H 129 9.155 9.155 8.276 0.879 19945 2731 1 3 . 1 1 130 130 SER N N 130 110.807 110.807 117.907 -7.100 19945 2732 1 3 . 1 1 130 130 SER HA H 130 4.942 4.942 5.045 -0.103 19945 2733 1 3 . 1 1 130 130 SER C C 130 176.665 176.665 174.791 1.874 19945 2734 1 3 . 1 1 130 130 SER CA C 130 57.471 57.471 57.894 -0.423 19945 2735 1 3 . 1 1 130 130 SER CB C 130 67.205 67.205 65.382 1.823 19945 2736 1 3 . 1 1 130 130 SER H H 130 8.101 8.101 8.394 -0.293 19945 2737 1 3 . 1 1 131 131 LYS N N 131 129.963 129.963 126.172 3.791 19945 2738 1 3 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.262 0.187 19945 2739 1 3 . 1 1 131 131 LYS C C 131 176.533 176.533 177.712 -1.179 19945 2740 1 3 . 1 1 131 131 LYS CA C 131 56.900 56.900 57.185 -0.285 19945 2741 1 3 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.178 0.451 19945 2742 1 3 . 1 1 131 131 LYS H H 131 9.690 9.690 8.763 0.927 19945 2743 1 3 . 1 1 132 132 GLY N N 132 107.870 107.870 105.544 2.326 19945 2744 1 3 . 1 1 132 132 GLY C C 132 173.354 173.354 174.014 -0.660 19945 2745 1 3 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.752 0.894 19945 2746 1 3 . 1 1 132 132 GLY H H 132 9.187 9.187 8.179 1.008 19945 2747 1 3 . 1 1 133 133 LEU N N 133 119.088 119.088 121.518 -2.430 19945 2748 1 3 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.150 0.493 19945 2749 1 3 . 1 1 133 133 LEU C C 133 177.748 177.748 176.348 1.400 19945 2750 1 3 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.682 -0.206 19945 2751 1 3 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.693 -1.189 19945 2752 1 3 . 1 1 133 133 LEU H H 133 7.098 7.098 7.501 -0.403 19945 2753 1 3 . 1 1 134 134 ALA N N 134 125.720 125.720 127.467 -1.747 19945 2754 1 3 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.421 -0.184 19945 2755 1 3 . 1 1 134 134 ALA C C 134 176.695 176.695 177.120 -0.425 19945 2756 1 3 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.476 -0.188 19945 2757 1 3 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.577 -0.965 19945 2758 1 3 . 1 1 134 134 ALA H H 134 9.154 9.154 8.958 0.196 19945 2759 1 3 . 1 1 135 135 ASP N N 135 114.952 114.952 116.966 -2.014 19945 2760 1 3 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.797 -0.268 19945 2761 1 3 . 1 1 135 135 ASP C C 135 175.130 175.130 175.818 -0.688 19945 2762 1 3 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.278 -0.318 19945 2763 1 3 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.724 -3.196 19945 2764 1 3 . 1 1 135 135 ASP H H 135 8.299 8.299 7.756 0.543 19945 2765 1 3 . 1 1 136 136 ASP N N 136 114.870 114.870 121.008 -6.138 19945 2766 1 3 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.249 0.086 19945 2767 1 3 . 1 1 136 136 ASP C C 136 176.303 176.303 176.158 0.145 19945 2768 1 3 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.274 1.570 19945 2769 1 3 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.924 -0.060 19945 2770 1 3 . 1 1 136 136 ASP H H 136 8.433 8.433 8.670 -0.237 19945 2771 1 3 . 1 1 137 137 ASP N N 137 113.709 113.709 114.849 -1.140 19945 2772 1 3 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.677 0.154 19945 2773 1 3 . 1 1 137 137 ASP C C 137 176.514 176.514 174.782 1.732 19945 2774 1 3 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.624 -0.307 19945 2775 1 3 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.322 0.136 19945 2776 1 3 . 1 1 137 137 ASP H H 137 8.232 8.232 8.272 -0.040 19945 2777 1 3 . 1 1 138 138 HIS N N 138 117.829 117.829 117.893 -0.064 19945 2778 1 3 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.118 0.164 19945 2779 1 3 . 1 1 138 138 HIS C C 138 175.130 175.130 174.019 1.111 19945 2780 1 3 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.233 1.366 19945 2781 1 3 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.999 -0.999 19945 2782 1 3 . 1 1 138 138 HIS H H 138 7.764 7.764 7.691 0.073 19945 2783 1 3 . 1 1 139 139 PHE N N 139 123.553 123.553 121.685 1.868 19945 2784 1 3 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.795 0.224 19945 2785 1 3 . 1 1 139 139 PHE C C 139 177.477 177.477 177.437 0.040 19945 2786 1 3 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.744 -0.185 19945 2787 1 3 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.810 3.062 19945 2788 1 3 . 1 1 139 139 PHE H H 139 9.955 9.955 9.692 0.263 19945 2789 1 3 . 1 1 140 140 VAL N N 140 119.420 119.420 121.167 -1.747 19945 2790 1 3 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.010 -0.332 19945 2791 1 3 . 1 1 140 140 VAL C C 140 173.023 173.023 175.411 -2.388 19945 2792 1 3 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.451 -2.334 19945 2793 1 3 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.279 0.257 19945 2794 1 3 . 1 1 140 140 VAL H H 140 9.178 9.178 8.951 0.227 19945 2795 1 3 . 1 1 141 141 GLY N N 141 105.680 105.680 103.362 2.318 19945 2796 1 3 . 1 1 141 141 GLY C C 141 171.284 171.284 172.789 -1.505 19945 2797 1 3 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.894 0.827 19945 2798 1 3 . 1 1 141 141 GLY H H 141 6.837 6.837 7.514 -0.677 19945 2799 1 3 . 1 1 142 142 LEU N N 142 118.516 118.516 120.604 -2.088 19945 2800 1 3 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.614 -0.567 19945 2801 1 3 . 1 1 142 142 LEU C C 142 173.725 173.725 174.909 -1.184 19945 2802 1 3 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.639 1.065 19945 2803 1 3 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.508 -2.769 19945 2804 1 3 . 1 1 142 142 LEU H H 142 7.423 7.423 7.909 -0.486 19945 2805 1 3 . 1 1 143 143 ALA N N 143 128.382 128.382 129.491 -1.109 19945 2806 1 3 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.592 -0.118 19945 2807 1 3 . 1 1 143 143 ALA C C 143 175.685 175.685 176.450 -0.765 19945 2808 1 3 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.824 -0.193 19945 2809 1 3 . 1 1 143 143 ALA CB C 143 19.847 19.847 20.167 -0.320 19945 2810 1 3 . 1 1 143 143 ALA H H 143 5.414 5.414 7.562 -2.148 19945 2811 1 3 . 1 1 144 144 ILE N N 144 126.754 126.754 126.724 0.030 19945 2812 1 3 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.022 0.293 19945 2813 1 3 . 1 1 144 144 ILE C C 144 173.725 173.725 175.282 -1.557 19945 2814 1 3 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.729 -5.008 19945 2815 1 3 . 1 1 144 144 ILE CB C 144 37.630 37.630 39.436 -1.806 19945 2816 1 3 . 1 1 144 144 ILE H H 144 8.849 8.849 8.169 0.680 19945 2817 1 3 . 1 1 145 145 ASP N N 145 125.518 125.518 121.863 3.655 19945 2818 1 3 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.438 1.358 19945 2819 1 3 . 1 1 145 145 ASP C C 145 176.830 176.830 174.563 2.267 19945 2820 1 3 . 1 1 145 145 ASP CA C 145 52.553 52.553 55.409 -2.856 19945 2821 1 3 . 1 1 145 145 ASP CB C 145 43.502 43.502 41.465 2.037 19945 2822 1 3 . 1 1 145 145 ASP H H 145 8.088 8.088 8.654 -0.566 19945 2823 1 3 . 1 1 146 146 GLU N N 146 125.475 125.475 122.555 2.920 19945 2824 1 3 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.536 0.127 19945 2825 1 3 . 1 1 146 146 GLU C C 146 177.132 177.132 174.899 2.233 19945 2826 1 3 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.497 -0.224 19945 2827 1 3 . 1 1 146 146 GLU CB C 146 32.250 32.250 30.768 1.482 19945 2828 1 3 . 1 1 146 146 GLU H H 146 8.390 8.390 8.508 -0.118 19945 2829 1 3 . 1 1 147 147 ASP N N 147 120.137 120.137 119.197 0.940 19945 2830 1 3 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.636 -0.069 19945 2831 1 3 . 1 1 147 147 ASP C C 147 178.126 178.126 174.265 3.861 19945 2832 1 3 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.092 2.909 19945 2833 1 3 . 1 1 147 147 ASP CB C 147 43.250 43.250 43.456 -0.206 19945 2834 1 3 . 1 1 147 147 ASP H H 147 8.599 8.599 8.777 -0.178 19945 2835 1 3 . 1 1 148 148 ARG N N 148 115.655 115.655 120.284 -4.629 19945 2836 1 3 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.526 0.172 19945 2837 1 3 . 1 1 148 148 ARG C C 148 177.704 177.704 174.201 3.503 19945 2838 1 3 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.342 -3.382 19945 2839 1 3 . 1 1 148 148 ARG CB C 148 30.814 30.814 30.879 -0.065 19945 2840 1 3 . 1 1 148 148 ARG H H 148 9.762 9.762 7.933 1.829 19945 2841 1 3 . 1 1 149 149 GLN N N 149 116.313 116.313 120.339 -4.026 19945 2842 1 3 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.982 1.317 19945 2843 1 3 . 1 1 149 149 GLN C C 149 175.142 175.142 173.640 1.502 19945 2844 1 3 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.092 -2.691 19945 2845 1 3 . 1 1 149 149 GLN CB C 149 30.841 30.841 28.033 2.808 19945 2846 1 3 . 1 1 149 149 GLN H H 149 7.622 7.622 8.549 -0.927 19945 2847 1 3 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.473 0.208 19945 2848 1 3 . 1 1 150 150 PRO C C 150 179.483 179.483 176.422 3.061 19945 2849 1 3 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.962 2.364 19945 2850 1 3 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.306 -1.654 19945 2851 1 3 . 1 1 151 151 GLU N N 151 122.981 122.981 120.818 2.163 19945 2852 1 3 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.400 0.001 19945 2853 1 3 . 1 1 151 151 GLU C C 151 177.041 177.041 176.120 0.921 19945 2854 1 3 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.626 1.772 19945 2855 1 3 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.105 -2.523 19945 2856 1 3 . 1 1 151 151 GLU H H 151 10.520 10.520 8.329 2.191 19945 2857 1 3 . 1 1 152 152 LEU N N 152 120.119 120.119 121.164 -1.045 19945 2858 1 3 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.674 0.017 19945 2859 1 3 . 1 1 152 152 LEU C C 152 177.222 177.222 177.352 -0.130 19945 2860 1 3 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.242 0.067 19945 2861 1 3 . 1 1 152 152 LEU CB C 152 41.935 41.935 42.042 -0.107 19945 2862 1 3 . 1 1 152 152 LEU H H 152 7.589 7.589 7.858 -0.269 19945 2863 1 3 . 1 1 153 153 THR N N 153 119.637 119.637 117.053 2.584 19945 2864 1 3 . 1 1 153 153 THR HA H 153 3.592 3.592 3.917 -0.325 19945 2865 1 3 . 1 1 153 153 THR C C 153 174.178 174.178 176.221 -2.043 19945 2866 1 3 . 1 1 153 153 THR CA C 153 67.960 67.960 66.761 1.199 19945 2867 1 3 . 1 1 153 153 THR CB C 153 69.023 69.023 68.593 0.430 19945 2868 1 3 . 1 1 153 153 THR H H 153 7.469 7.469 8.063 -0.594 19945 2869 1 3 . 1 1 154 154 ALA N N 154 123.665 123.665 122.313 1.352 19945 2870 1 3 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.082 -0.194 19945 2871 1 3 . 1 1 154 154 ALA C C 154 180.417 180.417 179.330 1.087 19945 2872 1 3 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.908 1.629 19945 2873 1 3 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.438 -1.216 19945 2874 1 3 . 1 1 154 154 ALA H H 154 9.077 9.077 8.671 0.406 19945 2875 1 3 . 1 1 155 155 GLU N N 155 119.661 119.661 118.701 0.960 19945 2876 1 3 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.095 0.157 19945 2877 1 3 . 1 1 155 155 GLU C C 155 178.518 178.518 178.963 -0.445 19945 2878 1 3 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.058 -0.240 19945 2879 1 3 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.159 0.548 19945 2880 1 3 . 1 1 155 155 GLU H H 155 8.647 8.647 7.922 0.725 19945 2881 1 3 . 1 1 156 156 ARG N N 156 120.739 120.739 120.181 0.558 19945 2882 1 3 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.283 -0.065 19945 2883 1 3 . 1 1 156 156 ARG C C 156 177.252 177.252 179.000 -1.748 19945 2884 1 3 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.386 1.083 19945 2885 1 3 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.350 0.673 19945 2886 1 3 . 1 1 156 156 ARG H H 156 8.129 8.129 8.240 -0.111 19945 2887 1 3 . 1 1 157 157 VAL N N 157 117.372 117.372 117.272 0.100 19945 2888 1 3 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.856 -0.537 19945 2889 1 3 . 1 1 157 157 VAL C C 157 177.192 177.192 177.612 -0.420 19945 2890 1 3 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.043 1.357 19945 2891 1 3 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.781 1.051 19945 2892 1 3 . 1 1 157 157 VAL H H 157 8.578 8.578 8.231 0.347 19945 2893 1 3 . 1 1 158 158 GLU N N 158 118.631 118.631 122.227 -3.596 19945 2894 1 3 . 1 1 158 158 GLU HA H 158 4.197 4.197 3.994 0.203 19945 2895 1 3 . 1 1 158 158 GLU C C 158 179.995 179.995 179.020 0.975 19945 2896 1 3 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.470 -0.732 19945 2897 1 3 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.234 -0.057 19945 2898 1 3 . 1 1 158 158 GLU H H 158 8.046 8.046 8.281 -0.235 19945 2899 1 3 . 1 1 159 159 LYS N N 159 118.860 118.860 119.189 -0.329 19945 2900 1 3 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.131 0.055 19945 2901 1 3 . 1 1 159 159 LYS C C 159 179.844 179.844 179.524 0.320 19945 2902 1 3 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.356 0.638 19945 2903 1 3 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.634 1.058 19945 2904 1 3 . 1 1 159 159 LYS H H 159 8.522 8.522 8.283 0.239 19945 2905 1 3 . 1 1 160 160 TRP N N 160 125.100 125.100 121.596 3.504 19945 2906 1 3 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.645 -0.275 19945 2907 1 3 . 1 1 160 160 TRP C C 160 178.006 178.006 177.792 0.214 19945 2908 1 3 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.166 1.648 19945 2909 1 3 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.557 -0.765 19945 2910 1 3 . 1 1 160 160 TRP H H 160 9.076 9.076 8.266 0.810 19945 2911 1 3 . 1 1 161 161 VAL N N 161 118.402 118.402 119.858 -1.456 19945 2912 1 3 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.178 0.192 19945 2913 1 3 . 1 1 161 161 VAL C C 161 179.392 179.392 178.126 1.266 19945 2914 1 3 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.701 0.303 19945 2915 1 3 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.281 -0.931 19945 2916 1 3 . 1 1 161 161 VAL H H 161 9.024 9.024 8.634 0.390 19945 2917 1 3 . 1 1 162 162 LYS N N 162 123.209 123.209 118.744 4.465 19945 2918 1 3 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.991 0.011 19945 2919 1 3 . 1 1 162 162 LYS C C 162 178.759 178.759 178.952 -0.193 19945 2920 1 3 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.628 0.744 19945 2921 1 3 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.246 0.118 19945 2922 1 3 . 1 1 162 162 LYS H H 162 7.820 7.820 8.199 -0.379 19945 2923 1 3 . 1 1 163 163 GLN N N 163 121.722 121.722 118.033 3.689 19945 2924 1 3 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.091 0.099 19945 2925 1 3 . 1 1 163 163 GLN C C 163 179.935 179.935 178.061 1.874 19945 2926 1 3 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.334 1.393 19945 2927 1 3 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.546 0.476 19945 2928 1 3 . 1 1 163 163 GLN H H 163 8.126 8.126 7.607 0.519 19945 2929 1 3 . 1 1 164 164 ILE N N 164 114.390 114.390 118.394 -4.004 19945 2930 1 3 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.746 0.244 19945 2931 1 3 . 1 1 164 164 ILE C C 164 178.156 178.156 177.689 0.467 19945 2932 1 3 . 1 1 164 164 ILE CA C 164 65.176 65.176 63.800 1.376 19945 2933 1 3 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.389 0.289 19945 2934 1 3 . 1 1 164 164 ILE H H 164 9.110 9.110 8.000 1.110 19945 2935 1 3 . 1 1 165 165 SER N N 165 119.660 119.660 116.678 2.982 19945 2936 1 3 . 1 1 165 165 SER HA H 165 3.976 3.976 4.013 -0.037 19945 2937 1 3 . 1 1 165 165 SER C C 165 176.438 176.438 176.741 -0.303 19945 2938 1 3 . 1 1 165 165 SER CA C 165 63.180 63.180 61.950 1.230 19945 2939 1 3 . 1 1 165 165 SER CB C 165 62.383 62.383 62.733 -0.350 19945 2940 1 3 . 1 1 165 165 SER H H 165 8.278 8.278 8.421 -0.143 19945 2941 1 3 . 1 1 166 166 GLU N N 166 122.290 122.290 122.140 0.150 19945 2942 1 3 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.115 0.095 19945 2943 1 3 . 1 1 166 166 GLU C C 166 179.965 179.965 179.034 0.931 19945 2944 1 3 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.482 0.713 19945 2945 1 3 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.100 0.144 19945 2946 1 3 . 1 1 166 166 GLU H H 166 7.345 7.345 7.708 -0.363 19945 2947 1 3 . 1 1 167 167 GLU N N 167 120.787 120.787 120.276 0.511 19945 2948 1 3 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.942 -0.003 19945 2949 1 3 . 1 1 167 167 GLU C C 167 178.518 178.518 178.027 0.491 19945 2950 1 3 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.555 1.445 19945 2951 1 3 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.805 0.995 19945 2952 1 3 . 1 1 167 167 GLU H H 167 8.413 8.413 8.145 0.268 19945 2953 1 3 . 1 1 168 168 LEU N N 168 115.420 115.420 115.947 -0.527 19945 2954 1 3 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.311 -0.174 19945 2955 1 3 . 1 1 168 168 LEU C C 168 175.896 175.896 176.376 -0.480 19945 2956 1 3 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.656 0.124 19945 2957 1 3 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.195 1.105 19945 2958 1 3 . 1 1 168 168 LEU H H 168 8.553 8.553 7.833 0.720 19945 2959 1 3 . 1 1 169 169 HIS N N 169 113.347 113.347 113.861 -0.514 19945 2960 1 3 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.324 0.027 19945 2961 1 3 . 1 1 169 169 HIS C C 169 175.835 175.835 175.248 0.587 19945 2962 1 3 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.428 -1.155 19945 2963 1 3 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.878 -1.156 19945 2964 1 3 . 1 1 169 169 HIS H H 169 7.550 7.550 7.448 0.102 19945 2965 1 3 . 1 1 170 170 LEU N N 170 117.250 117.250 118.545 -1.295 19945 2966 1 3 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.139 -0.136 19945 2967 1 3 . 1 1 170 170 LEU C C 170 178.096 178.096 177.944 0.152 19945 2968 1 3 . 1 1 170 170 LEU CA C 170 57.968 57.968 57.392 0.576 19945 2969 1 3 . 1 1 170 170 LEU CB C 170 41.858 41.858 42.166 -0.308 19945 2970 1 3 . 1 1 170 170 LEU H H 170 8.069 8.069 8.266 -0.197 19945 2971 1 3 . 1 1 171 171 ASP N N 171 117.300 117.300 120.015 -2.715 19945 2972 1 3 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.275 0.060 19945 2973 1 3 . 1 1 171 171 ASP C C 171 177.915 177.915 178.295 -0.380 19945 2974 1 3 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.012 -1.322 19945 2975 1 3 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.748 -0.688 19945 2976 1 3 . 1 1 171 171 ASP H H 171 8.732 8.732 8.426 0.306 19945 2977 1 3 . 1 1 172 172 GLU N N 172 119.203 119.203 116.467 2.736 19945 2978 1 3 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.192 0.035 19945 2979 1 3 . 1 1 172 172 GLU C C 172 178.277 178.277 177.338 0.939 19945 2980 1 3 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.396 -0.264 19945 2981 1 3 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.481 0.519 19945 2982 1 3 . 1 1 172 172 GLU H H 172 7.804 7.804 8.751 -0.947 19945 2983 1 3 . 1 1 173 173 ILE N N 173 119.519 119.519 116.836 2.683 19945 2984 1 3 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.144 -0.091 19945 2985 1 3 . 1 1 173 173 ILE C C 173 178.006 178.006 178.221 -0.215 19945 2986 1 3 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.195 0.405 19945 2987 1 3 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.514 -0.514 19945 2988 1 3 . 1 1 173 173 ILE H H 173 7.787 7.787 7.584 0.203 19945 2989 1 3 . 1 1 174 174 LEU N N 174 121.260 121.260 117.888 3.372 19945 2990 1 3 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.335 -0.049 19945 2991 1 3 . 1 1 174 174 LEU C C 174 177.704 177.704 177.540 0.164 19945 2992 1 3 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.502 -1.229 19945 2993 1 3 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.358 0.100 19945 2994 1 3 . 1 1 174 174 LEU H H 174 8.241 8.241 8.577 -0.336 19945 2995 1 3 . 1 1 175 175 ASN N N 175 118.280 118.280 117.402 0.878 19945 2996 1 3 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.816 0.013 19945 2997 1 3 . 1 1 175 175 ASN C C 175 173.846 173.846 175.239 -1.393 19945 2998 1 3 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.650 1.572 19945 2999 1 3 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.249 0.022 19945 3000 1 3 . 1 1 175 175 ASN H H 175 7.883 7.883 8.030 -0.147 19945 3001 1 4 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.726 -0.474 19945 3002 1 4 . 1 1 2 2 ALA C C 2 174.479 174.479 178.202 -3.723 19945 3003 1 4 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.944 1.524 19945 3004 1 4 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.985 -0.818 19945 3005 1 4 . 1 1 3 3 ILE N N 3 116.571 116.571 114.649 1.922 19945 3006 1 4 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.323 0.222 19945 3007 1 4 . 1 1 3 3 ILE C C 3 175.806 175.806 175.684 0.122 19945 3008 1 4 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.233 0.962 19945 3009 1 4 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.445 0.965 19945 3010 1 4 . 1 1 3 3 ILE H H 3 8.456 8.456 8.077 0.379 19945 3011 1 4 . 1 1 4 4 THR N N 4 115.734 115.734 117.819 -2.085 19945 3012 1 4 . 1 1 4 4 THR HA H 4 5.124 5.124 5.167 -0.043 19945 3013 1 4 . 1 1 4 4 THR C C 4 172.410 172.410 173.470 -1.060 19945 3014 1 4 . 1 1 4 4 THR CA C 4 61.724 61.724 60.976 0.748 19945 3015 1 4 . 1 1 4 4 THR CB C 4 70.059 70.059 70.740 -0.681 19945 3016 1 4 . 1 1 4 4 THR H H 4 8.244 8.244 8.029 0.215 19945 3017 1 4 . 1 1 5 5 GLY N N 5 116.016 116.016 112.666 3.350 19945 3018 1 4 . 1 1 5 5 GLY C C 5 171.077 171.077 172.542 -1.465 19945 3019 1 4 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.153 0.356 19945 3020 1 4 . 1 1 5 5 GLY H H 5 8.554 8.554 8.873 -0.319 19945 3021 1 4 . 1 1 6 6 ILE N N 6 126.504 126.504 127.331 -0.827 19945 3022 1 4 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.868 0.583 19945 3023 1 4 . 1 1 6 6 ILE C C 6 175.245 175.245 174.968 0.277 19945 3024 1 4 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.825 -0.907 19945 3025 1 4 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.851 0.357 19945 3026 1 4 . 1 1 6 6 ILE H H 6 8.719 8.719 9.091 -0.372 19945 3027 1 4 . 1 1 7 7 PHE N N 7 127.559 127.559 127.205 0.354 19945 3028 1 4 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.088 0.525 19945 3029 1 4 . 1 1 7 7 PHE C C 7 174.634 174.634 175.253 -0.619 19945 3030 1 4 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.991 -1.328 19945 3031 1 4 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.251 1.438 19945 3032 1 4 . 1 1 7 7 PHE H H 7 9.609 9.609 9.406 0.203 19945 3033 1 4 . 1 1 8 8 PHE N N 8 120.006 120.006 120.770 -0.764 19945 3034 1 4 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.287 0.937 19945 3035 1 4 . 1 1 8 8 PHE C C 8 171.212 171.212 174.112 -2.900 19945 3036 1 4 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.138 -0.459 19945 3037 1 4 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.920 1.601 19945 3038 1 4 . 1 1 8 8 PHE H H 8 8.545 8.545 8.784 -0.239 19945 3039 1 4 . 1 1 9 9 GLY N N 9 109.650 109.650 110.019 -0.369 19945 3040 1 4 . 1 1 9 9 GLY C C 9 172.512 172.512 172.439 0.073 19945 3041 1 4 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.131 1.187 19945 3042 1 4 . 1 1 9 9 GLY H H 9 7.701 7.701 7.839 -0.138 19945 3043 1 4 . 1 1 10 10 SER N N 10 115.953 115.953 116.521 -0.568 19945 3044 1 4 . 1 1 10 10 SER HA H 10 5.001 5.001 4.709 0.292 19945 3045 1 4 . 1 1 10 10 SER C C 10 173.439 173.439 172.987 0.452 19945 3046 1 4 . 1 1 10 10 SER CA C 10 58.308 58.308 57.477 0.831 19945 3047 1 4 . 1 1 10 10 SER CB C 10 66.423 66.423 65.981 0.442 19945 3048 1 4 . 1 1 10 10 SER H H 10 8.634 8.634 8.139 0.495 19945 3049 1 4 . 1 1 11 11 ASP N N 11 104.000 104.000 119.816 -15.816 19945 3050 1 4 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.726 0.248 19945 3051 1 4 . 1 1 11 11 ASP C C 11 179.108 179.108 177.347 1.761 19945 3052 1 4 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.668 -0.119 19945 3053 1 4 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.683 -1.583 19945 3054 1 4 . 1 1 11 11 ASP H H 11 11.201 11.201 8.847 2.354 19945 3055 1 4 . 1 1 12 12 THR N N 12 112.000 112.000 112.514 -0.514 19945 3056 1 4 . 1 1 12 12 THR HA H 12 4.804 4.804 4.540 0.264 19945 3057 1 4 . 1 1 12 12 THR C C 12 175.080 175.080 175.723 -0.643 19945 3058 1 4 . 1 1 12 12 THR CA C 12 60.237 60.237 62.011 -1.774 19945 3059 1 4 . 1 1 12 12 THR CB C 12 68.567 68.567 69.190 -0.623 19945 3060 1 4 . 1 1 12 12 THR H H 12 9.311 9.311 8.328 0.983 19945 3061 1 4 . 1 1 13 13 GLY N N 13 112.221 112.221 111.560 0.661 19945 3062 1 4 . 1 1 13 13 GLY C C 13 176.690 176.690 174.938 1.752 19945 3063 1 4 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.172 1.128 19945 3064 1 4 . 1 1 13 13 GLY H H 13 8.000 8.000 8.019 -0.019 19945 3065 1 4 . 1 1 14 14 ASN N N 14 128.520 128.520 119.332 9.188 19945 3066 1 4 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.463 0.163 19945 3067 1 4 . 1 1 14 14 ASN C C 14 178.888 178.888 176.938 1.950 19945 3068 1 4 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.813 1.251 19945 3069 1 4 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.567 -1.733 19945 3070 1 4 . 1 1 14 14 ASN H H 14 11.112 11.112 8.251 2.861 19945 3071 1 4 . 1 1 15 15 THR N N 15 122.550 122.550 115.578 6.972 19945 3072 1 4 . 1 1 15 15 THR HA H 15 4.369 4.369 3.968 0.401 19945 3073 1 4 . 1 1 15 15 THR C C 15 176.786 176.786 175.883 0.903 19945 3074 1 4 . 1 1 15 15 THR CA C 15 67.325 67.325 66.362 0.963 19945 3075 1 4 . 1 1 15 15 THR CB C 15 67.961 67.961 68.584 -0.623 19945 3076 1 4 . 1 1 15 15 THR H H 15 11.327 11.327 7.705 3.622 19945 3077 1 4 . 1 1 16 16 GLU N N 16 120.578 120.578 121.109 -0.531 19945 3078 1 4 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.740 -0.453 19945 3079 1 4 . 1 1 16 16 GLU C C 16 176.642 176.642 177.628 -0.986 19945 3080 1 4 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.334 -0.265 19945 3081 1 4 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.921 -0.544 19945 3082 1 4 . 1 1 16 16 GLU H H 16 6.590 6.590 8.488 -1.898 19945 3083 1 4 . 1 1 17 17 ASN N N 17 118.000 118.000 118.493 -0.493 19945 3084 1 4 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.404 -0.094 19945 3085 1 4 . 1 1 17 17 ASN C C 17 178.255 178.255 177.756 0.499 19945 3086 1 4 . 1 1 17 17 ASN CA C 17 56.301 56.301 56.132 0.169 19945 3087 1 4 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.390 -0.752 19945 3088 1 4 . 1 1 17 17 ASN H H 17 7.705 7.705 7.514 0.191 19945 3089 1 4 . 1 1 18 18 ILE N N 18 119.430 119.430 120.539 -1.109 19945 3090 1 4 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.618 0.034 19945 3091 1 4 . 1 1 18 18 ILE C C 18 177.564 177.564 177.640 -0.076 19945 3092 1 4 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.534 -1.034 19945 3093 1 4 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.423 -1.872 19945 3094 1 4 . 1 1 18 18 ILE H H 18 8.141 8.141 7.784 0.357 19945 3095 1 4 . 1 1 19 19 ALA N N 19 123.208 123.208 122.316 0.892 19945 3096 1 4 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.843 -0.174 19945 3097 1 4 . 1 1 19 19 ALA C C 19 178.888 178.888 179.614 -0.726 19945 3098 1 4 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.495 0.160 19945 3099 1 4 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.114 0.701 19945 3100 1 4 . 1 1 19 19 ALA H H 19 8.304 8.304 8.455 -0.151 19945 3101 1 4 . 1 1 20 20 LYS N N 20 116.460 116.460 118.943 -2.483 19945 3102 1 4 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.952 -0.136 19945 3103 1 4 . 1 1 20 20 LYS C C 20 179.666 179.666 179.138 0.528 19945 3104 1 4 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.501 0.321 19945 3105 1 4 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.321 -0.223 19945 3106 1 4 . 1 1 20 20 LYS H H 20 7.722 7.722 8.146 -0.424 19945 3107 1 4 . 1 1 21 21 MET N N 21 123.880 123.880 119.219 4.661 19945 3108 1 4 . 1 1 21 21 MET HA H 21 3.946 3.946 4.004 -0.058 19945 3109 1 4 . 1 1 21 21 MET C C 21 179.435 179.435 178.497 0.938 19945 3110 1 4 . 1 1 21 21 MET CA C 21 59.662 59.662 59.503 0.159 19945 3111 1 4 . 1 1 21 21 MET CB C 21 34.262 34.262 32.562 1.700 19945 3112 1 4 . 1 1 21 21 MET H H 21 8.336 8.336 8.054 0.282 19945 3113 1 4 . 1 1 22 22 ILE N N 22 122.065 122.065 120.525 1.540 19945 3114 1 4 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.748 -0.503 19945 3115 1 4 . 1 1 22 22 ILE C C 22 177.592 177.592 178.379 -0.787 19945 3116 1 4 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.587 0.137 19945 3117 1 4 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.531 0.146 19945 3118 1 4 . 1 1 22 22 ILE H H 22 8.500 8.500 8.321 0.179 19945 3119 1 4 . 1 1 23 23 GLN N N 23 119.264 119.264 119.651 -0.387 19945 3120 1 4 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.870 -0.426 19945 3121 1 4 . 1 1 23 23 GLN C C 23 177.017 177.017 178.372 -1.355 19945 3122 1 4 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.387 0.304 19945 3123 1 4 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.662 -0.814 19945 3124 1 4 . 1 1 23 23 GLN H H 23 7.985 7.985 8.377 -0.392 19945 3125 1 4 . 1 1 24 24 LYS N N 24 118.970 118.970 118.812 0.158 19945 3126 1 4 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.004 -0.084 19945 3127 1 4 . 1 1 24 24 LYS C C 24 178.427 178.427 179.487 -1.060 19945 3128 1 4 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.770 0.390 19945 3129 1 4 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.070 0.294 19945 3130 1 4 . 1 1 24 24 LYS H H 24 7.942 7.942 8.140 -0.198 19945 3131 1 4 . 1 1 25 25 GLN N N 25 118.400 118.400 118.024 0.376 19945 3132 1 4 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.084 -0.081 19945 3133 1 4 . 1 1 25 25 GLN C C 25 178.226 178.226 178.123 0.103 19945 3134 1 4 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.125 -0.042 19945 3135 1 4 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.884 0.027 19945 3136 1 4 . 1 1 25 25 GLN H H 25 7.636 7.636 7.884 -0.248 19945 3137 1 4 . 1 1 26 26 LEU N N 26 119.080 119.080 117.878 1.202 19945 3138 1 4 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.203 -0.184 19945 3139 1 4 . 1 1 26 26 LEU C C 26 177.247 177.247 176.866 0.381 19945 3140 1 4 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.975 1.094 19945 3141 1 4 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.022 0.127 19945 3142 1 4 . 1 1 26 26 LEU H H 26 8.098 8.098 8.074 0.024 19945 3143 1 4 . 1 1 27 27 GLY N N 27 107.750 107.750 104.677 3.073 19945 3144 1 4 . 1 1 27 27 GLY C C 27 175.231 175.231 175.010 0.221 19945 3145 1 4 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.649 -0.589 19945 3146 1 4 . 1 1 27 27 GLY H H 27 8.050 8.050 7.832 0.218 19945 3147 1 4 . 1 1 28 28 LYS N N 28 125.187 125.187 122.305 2.882 19945 3148 1 4 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.278 -0.055 19945 3149 1 4 . 1 1 28 28 LYS C C 28 176.372 176.372 176.774 -0.402 19945 3150 1 4 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.964 0.965 19945 3151 1 4 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.209 -0.111 19945 3152 1 4 . 1 1 28 28 LYS H H 28 8.786 8.786 8.554 0.232 19945 3153 1 4 . 1 1 29 29 ASP N N 29 115.960 115.960 117.936 -1.976 19945 3154 1 4 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.568 0.007 19945 3155 1 4 . 1 1 29 29 ASP C C 29 176.437 176.437 177.535 -1.098 19945 3156 1 4 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.012 -0.802 19945 3157 1 4 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.927 -1.125 19945 3158 1 4 . 1 1 29 29 ASP H H 29 8.919 8.919 8.369 0.550 19945 3159 1 4 . 1 1 30 30 VAL N N 30 120.609 120.609 117.977 2.632 19945 3160 1 4 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.000 0.056 19945 3161 1 4 . 1 1 30 30 VAL C C 30 174.656 174.656 175.124 -0.468 19945 3162 1 4 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.412 0.308 19945 3163 1 4 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.389 0.449 19945 3164 1 4 . 1 1 30 30 VAL H H 30 7.573 7.573 7.516 0.057 19945 3165 1 4 . 1 1 31 31 ALA N N 31 123.100 123.100 119.734 3.366 19945 3166 1 4 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.201 0.330 19945 3167 1 4 . 1 1 31 31 ALA C C 31 175.174 175.174 174.746 0.428 19945 3168 1 4 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.594 -0.432 19945 3169 1 4 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.799 0.532 19945 3170 1 4 . 1 1 31 31 ALA H H 31 7.951 7.951 8.075 -0.124 19945 3171 1 4 . 1 1 32 32 ASP N N 32 121.576 121.576 119.523 2.053 19945 3172 1 4 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.979 -0.110 19945 3173 1 4 . 1 1 32 32 ASP C C 32 174.771 174.771 174.536 0.235 19945 3174 1 4 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.971 0.441 19945 3175 1 4 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.735 -0.948 19945 3176 1 4 . 1 1 32 32 ASP H H 32 8.175 8.175 8.677 -0.502 19945 3177 1 4 . 1 1 33 33 VAL N N 33 120.428 120.428 123.289 -2.861 19945 3178 1 4 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.907 -0.250 19945 3179 1 4 . 1 1 33 33 VAL C C 33 174.252 174.252 175.336 -1.084 19945 3180 1 4 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.507 -0.204 19945 3181 1 4 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.807 1.069 19945 3182 1 4 . 1 1 33 33 VAL H H 33 8.397 8.397 8.332 0.065 19945 3183 1 4 . 1 1 34 34 HIS N N 34 125.285 125.285 124.547 0.738 19945 3184 1 4 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.734 -0.181 19945 3185 1 4 . 1 1 34 34 HIS C C 34 171.920 171.920 172.561 -0.641 19945 3186 1 4 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.447 -0.876 19945 3187 1 4 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.009 -0.589 19945 3188 1 4 . 1 1 34 34 HIS H H 34 8.945 8.945 9.233 -0.288 19945 3189 1 4 . 1 1 35 35 ASP N N 35 124.120 124.120 120.032 4.088 19945 3190 1 4 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.784 -1.487 19945 3191 1 4 . 1 1 35 35 ASP C C 35 179.780 179.780 176.335 3.445 19945 3192 1 4 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.515 -0.759 19945 3193 1 4 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.637 -1.241 19945 3194 1 4 . 1 1 35 35 ASP H H 35 8.589 8.589 8.547 0.042 19945 3195 1 4 . 1 1 36 36 ILE N N 36 106.681 106.681 127.028 -20.347 19945 3196 1 4 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.338 0.216 19945 3197 1 4 . 1 1 36 36 ILE C C 36 175.404 175.404 176.901 -1.497 19945 3198 1 4 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.769 -3.419 19945 3199 1 4 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.021 2.250 19945 3200 1 4 . 1 1 36 36 ILE H H 36 9.705 9.705 8.692 1.013 19945 3201 1 4 . 1 1 37 37 ALA N N 37 123.095 123.095 122.204 0.891 19945 3202 1 4 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.186 -0.097 19945 3203 1 4 . 1 1 37 37 ALA C C 37 178.140 178.140 178.443 -0.303 19945 3204 1 4 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.385 -0.769 19945 3205 1 4 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.480 0.867 19945 3206 1 4 . 1 1 37 37 ALA H H 37 8.261 8.261 8.041 0.220 19945 3207 1 4 . 1 1 38 38 LYS N N 38 115.312 115.312 116.497 -1.185 19945 3208 1 4 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.345 0.266 19945 3209 1 4 . 1 1 38 38 LYS C C 38 176.498 176.498 176.461 0.037 19945 3210 1 4 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.378 -2.231 19945 3211 1 4 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.206 0.220 19945 3212 1 4 . 1 1 38 38 LYS H H 38 7.437 7.437 7.795 -0.358 19945 3213 1 4 . 1 1 39 39 SER N N 39 115.623 115.623 115.132 0.491 19945 3214 1 4 . 1 1 39 39 SER HA H 39 5.019 5.019 4.683 0.336 19945 3215 1 4 . 1 1 39 39 SER C C 39 171.402 171.402 174.031 -2.629 19945 3216 1 4 . 1 1 39 39 SER CA C 39 58.929 58.929 58.219 0.710 19945 3217 1 4 . 1 1 39 39 SER CB C 39 65.538 65.538 65.213 0.325 19945 3218 1 4 . 1 1 39 39 SER H H 39 7.051 7.051 7.538 -0.487 19945 3219 1 4 . 1 1 40 40 SER N N 40 118.860 118.860 114.664 4.196 19945 3220 1 4 . 1 1 40 40 SER HA H 40 5.025 5.025 4.843 0.182 19945 3221 1 4 . 1 1 40 40 SER C C 40 174.741 174.741 175.375 -0.634 19945 3222 1 4 . 1 1 40 40 SER CA C 40 56.003 56.003 56.748 -0.745 19945 3223 1 4 . 1 1 40 40 SER CB C 40 67.416 67.416 66.037 1.379 19945 3224 1 4 . 1 1 40 40 SER H H 40 9.377 9.377 8.341 1.036 19945 3225 1 4 . 1 1 41 41 LYS N N 41 122.504 122.504 122.990 -0.486 19945 3226 1 4 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.009 -0.271 19945 3227 1 4 . 1 1 41 41 LYS C C 41 177.391 177.391 177.832 -0.441 19945 3228 1 4 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.645 1.328 19945 3229 1 4 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.243 1.064 19945 3230 1 4 . 1 1 41 41 LYS H H 41 9.098 9.098 8.872 0.226 19945 3231 1 4 . 1 1 42 42 GLU N N 42 115.836 115.836 115.211 0.625 19945 3232 1 4 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.384 -0.256 19945 3233 1 4 . 1 1 42 42 GLU C C 42 178.773 178.773 177.516 1.257 19945 3234 1 4 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.616 2.376 19945 3235 1 4 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.374 -0.730 19945 3236 1 4 . 1 1 42 42 GLU H H 42 8.839 8.839 8.497 0.342 19945 3237 1 4 . 1 1 43 43 ASP N N 43 119.589 119.589 120.862 -1.273 19945 3238 1 4 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.564 -0.078 19945 3239 1 4 . 1 1 43 43 ASP C C 43 177.564 177.564 178.519 -0.955 19945 3240 1 4 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.526 1.075 19945 3241 1 4 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.979 -0.173 19945 3242 1 4 . 1 1 43 43 ASP H H 43 7.794 7.794 7.852 -0.058 19945 3243 1 4 . 1 1 44 44 LEU N N 44 118.745 118.745 120.295 -1.550 19945 3244 1 4 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.406 -0.435 19945 3245 1 4 . 1 1 44 44 LEU C C 44 178.600 178.600 179.008 -0.408 19945 3246 1 4 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.284 1.598 19945 3247 1 4 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.164 0.560 19945 3248 1 4 . 1 1 44 44 LEU H H 44 6.854 6.854 7.721 -0.867 19945 3249 1 4 . 1 1 45 45 GLU N N 45 114.280 114.280 117.045 -2.765 19945 3250 1 4 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.139 -0.512 19945 3251 1 4 . 1 1 45 45 GLU C C 45 176.988 176.988 176.967 0.021 19945 3252 1 4 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.097 0.579 19945 3253 1 4 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.358 0.880 19945 3254 1 4 . 1 1 45 45 GLU H H 45 7.571 7.571 8.192 -0.621 19945 3255 1 4 . 1 1 46 46 ALA N N 46 118.860 118.860 121.053 -2.193 19945 3256 1 4 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.171 -0.133 19945 3257 1 4 . 1 1 46 46 ALA C C 46 176.901 176.901 178.044 -1.143 19945 3258 1 4 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.161 0.158 19945 3259 1 4 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.176 -0.095 19945 3260 1 4 . 1 1 46 46 ALA H H 46 7.026 7.026 7.448 -0.422 19945 3261 1 4 . 1 1 47 47 TYR N N 47 115.674 115.674 117.009 -1.335 19945 3262 1 4 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.447 0.284 19945 3263 1 4 . 1 1 47 47 TYR C C 47 175.807 175.807 175.819 -0.012 19945 3264 1 4 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.684 -2.076 19945 3265 1 4 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.385 2.277 19945 3266 1 4 . 1 1 47 47 TYR H H 47 7.277 7.277 7.504 -0.227 19945 3267 1 4 . 1 1 48 48 ASP N N 48 121.598 121.598 120.209 1.389 19945 3268 1 4 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.772 0.136 19945 3269 1 4 . 1 1 48 48 ASP C C 48 175.030 175.030 176.325 -1.295 19945 3270 1 4 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.625 -0.417 19945 3271 1 4 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.762 -1.116 19945 3272 1 4 . 1 1 48 48 ASP H H 48 9.546 9.546 8.321 1.225 19945 3273 1 4 . 1 1 49 49 ILE N N 49 119.608 119.608 119.637 -0.029 19945 3274 1 4 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.023 0.271 19945 3275 1 4 . 1 1 49 49 ILE C C 49 175.059 175.059 174.669 0.390 19945 3276 1 4 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.638 -0.108 19945 3277 1 4 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.875 0.193 19945 3278 1 4 . 1 1 49 49 ILE H H 49 7.331 7.331 7.903 -0.572 19945 3279 1 4 . 1 1 50 50 LEU N N 50 127.901 127.901 127.107 0.794 19945 3280 1 4 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.200 0.460 19945 3281 1 4 . 1 1 50 50 LEU C C 50 174.598 174.598 175.320 -0.722 19945 3282 1 4 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.650 -0.831 19945 3283 1 4 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.719 3.318 19945 3284 1 4 . 1 1 50 50 LEU H H 50 9.095 9.095 9.099 -0.004 19945 3285 1 4 . 1 1 51 51 LEU N N 51 123.440 123.440 125.153 -1.713 19945 3286 1 4 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.405 0.627 19945 3287 1 4 . 1 1 51 51 LEU C C 51 175.894 175.894 175.290 0.604 19945 3288 1 4 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.059 -0.748 19945 3289 1 4 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.517 -0.199 19945 3290 1 4 . 1 1 51 51 LEU H H 51 9.275 9.275 9.280 -0.005 19945 3291 1 4 . 1 1 52 52 LEU N N 52 123.320 123.320 125.373 -2.053 19945 3292 1 4 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.298 0.358 19945 3293 1 4 . 1 1 52 52 LEU C C 52 173.763 173.763 175.890 -2.127 19945 3294 1 4 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.385 -0.508 19945 3295 1 4 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.607 -2.121 19945 3296 1 4 . 1 1 52 52 LEU H H 52 9.024 9.024 9.059 -0.035 19945 3297 1 4 . 1 1 53 53 GLY N N 53 110.739 110.739 111.712 -0.973 19945 3298 1 4 . 1 1 53 53 GLY C C 53 174.530 174.530 171.509 3.021 19945 3299 1 4 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.830 0.159 19945 3300 1 4 . 1 1 53 53 GLY H H 53 9.283 9.283 9.151 0.132 19945 3301 1 4 . 1 1 54 54 ILE N N 54 126.032 126.032 122.647 3.385 19945 3302 1 4 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.127 1.079 19945 3303 1 4 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.928 -0.921 19945 3304 1 4 . 1 1 54 54 ILE CB C 54 42.990 42.990 42.246 0.744 19945 3305 1 4 . 1 1 54 54 ILE H H 54 9.136 9.136 8.310 0.826 19945 3306 1 4 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.913 0.404 19945 3307 1 4 . 1 1 55 55 PRO C C 55 174.771 174.771 175.898 -1.127 19945 3308 1 4 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.776 -0.028 19945 3309 1 4 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.320 -0.306 19945 3310 1 4 . 1 1 56 56 THR N N 56 113.710 113.710 116.952 -3.242 19945 3311 1 4 . 1 1 56 56 THR HA H 56 4.582 4.582 5.102 -0.520 19945 3312 1 4 . 1 1 56 56 THR C C 56 171.719 171.719 173.815 -2.096 19945 3313 1 4 . 1 1 56 56 THR CA C 56 62.383 62.383 62.069 0.314 19945 3314 1 4 . 1 1 56 56 THR CB C 56 69.692 69.692 70.516 -0.824 19945 3315 1 4 . 1 1 56 56 THR H H 56 6.599 6.599 8.070 -1.471 19945 3316 1 4 . 1 1 57 57 TRP N N 57 130.050 130.050 125.986 4.064 19945 3317 1 4 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.472 -1.846 19945 3318 1 4 . 1 1 57 57 TRP C C 57 172.611 172.611 175.142 -2.531 19945 3319 1 4 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.278 -0.003 19945 3320 1 4 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.231 2.523 19945 3321 1 4 . 1 1 57 57 TRP H H 57 8.865 8.865 8.938 -0.073 19945 3322 1 4 . 1 1 58 58 TYR N N 58 112.793 112.793 118.993 -6.200 19945 3323 1 4 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.092 0.124 19945 3324 1 4 . 1 1 58 58 TYR C C 58 173.619 173.619 174.670 -1.051 19945 3325 1 4 . 1 1 58 58 TYR CA C 58 59.200 59.200 57.850 1.350 19945 3326 1 4 . 1 1 58 58 TYR CB C 58 36.200 36.200 35.720 0.480 19945 3327 1 4 . 1 1 58 58 TYR H H 58 5.730 5.730 8.262 -2.532 19945 3328 1 4 . 1 1 59 59 TYR N N 59 112.220 112.220 116.145 -3.925 19945 3329 1 4 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.873 -0.478 19945 3330 1 4 . 1 1 59 59 TYR C C 59 175.865 175.865 176.305 -0.440 19945 3331 1 4 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.688 1.772 19945 3332 1 4 . 1 1 59 59 TYR CB C 59 33.610 33.610 36.093 -2.482 19945 3333 1 4 . 1 1 59 59 TYR H H 59 7.661 7.661 7.602 0.059 19945 3334 1 4 . 1 1 60 60 GLY N N 60 104.550 104.550 105.970 -1.420 19945 3335 1 4 . 1 1 60 60 GLY C C 60 174.483 174.483 173.772 0.711 19945 3336 1 4 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.010 1.168 19945 3337 1 4 . 1 1 60 60 GLY H H 60 8.142 8.142 8.517 -0.375 19945 3338 1 4 . 1 1 61 61 GLU N N 61 120.991 120.991 118.240 2.751 19945 3339 1 4 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.830 -0.392 19945 3340 1 4 . 1 1 61 61 GLU C C 61 175.548 175.548 174.903 0.645 19945 3341 1 4 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.302 1.174 19945 3342 1 4 . 1 1 61 61 GLU CB C 61 30.500 30.500 34.042 -3.542 19945 3343 1 4 . 1 1 61 61 GLU H H 61 8.307 8.307 8.181 0.126 19945 3344 1 4 . 1 1 62 62 ALA N N 62 122.750 122.750 123.567 -0.817 19945 3345 1 4 . 1 1 62 62 ALA HA H 62 4.206 4.206 5.223 -1.017 19945 3346 1 4 . 1 1 62 62 ALA C C 62 176.671 176.671 177.349 -0.678 19945 3347 1 4 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.000 0.810 19945 3348 1 4 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.662 0.544 19945 3349 1 4 . 1 1 62 62 ALA H H 62 8.722 8.722 8.644 0.078 19945 3350 1 4 . 1 1 63 63 GLN N N 63 120.579 120.579 118.223 2.356 19945 3351 1 4 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.139 -0.253 19945 3352 1 4 . 1 1 63 63 GLN C C 63 176.757 176.757 177.420 -0.663 19945 3353 1 4 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.949 1.661 19945 3354 1 4 . 1 1 63 63 GLN H H 63 6.302 6.302 8.616 -2.314 19945 3355 1 4 . 1 1 64 64 CYS N N 64 125.487 125.487 124.896 0.591 19945 3356 1 4 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.112 -0.001 19945 3357 1 4 . 1 1 64 64 CYS C C 64 174.972 174.972 176.448 -1.476 19945 3358 1 4 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.589 -1.100 19945 3359 1 4 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.425 0.157 19945 3360 1 4 . 1 1 64 64 CYS H H 64 9.091 9.091 9.020 0.071 19945 3361 1 4 . 1 1 65 65 ASP N N 65 120.298 120.298 119.413 0.885 19945 3362 1 4 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.409 -0.010 19945 3363 1 4 . 1 1 65 65 ASP C C 65 179.000 179.000 178.210 0.790 19945 3364 1 4 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.901 0.231 19945 3365 1 4 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.914 0.309 19945 3366 1 4 . 1 1 65 65 ASP H H 65 7.093 7.093 8.439 -1.346 19945 3367 1 4 . 1 1 66 66 TRP N N 66 122.608 122.608 120.327 2.281 19945 3368 1 4 . 1 1 66 66 TRP HA H 66 4.216 4.216 3.997 0.219 19945 3369 1 4 . 1 1 66 66 TRP C C 66 176.930 176.930 177.756 -0.826 19945 3370 1 4 . 1 1 66 66 TRP CA C 66 60.523 60.523 60.572 -0.049 19945 3371 1 4 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.412 0.549 19945 3372 1 4 . 1 1 66 66 TRP H H 66 7.394 7.394 7.565 -0.171 19945 3373 1 4 . 1 1 67 67 ASP N N 67 118.860 118.860 118.558 0.302 19945 3374 1 4 . 1 1 67 67 ASP HA H 67 3.525 3.525 4.302 -0.777 19945 3375 1 4 . 1 1 67 67 ASP C C 67 179.579 179.579 178.933 0.646 19945 3376 1 4 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.517 -0.177 19945 3377 1 4 . 1 1 67 67 ASP CB C 67 42.400 42.400 41.008 1.392 19945 3378 1 4 . 1 1 67 67 ASP H H 67 8.087 8.087 8.373 -0.286 19945 3379 1 4 . 1 1 68 68 ASP N N 68 116.220 116.220 119.284 -3.064 19945 3380 1 4 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.466 -0.110 19945 3381 1 4 . 1 1 68 68 ASP C C 68 176.873 176.873 177.128 -0.255 19945 3382 1 4 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.172 0.083 19945 3383 1 4 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.040 -0.233 19945 3384 1 4 . 1 1 68 68 ASP H H 68 8.056 8.056 8.194 -0.138 19945 3385 1 4 . 1 1 69 69 PHE N N 69 120.493 120.493 117.562 2.931 19945 3386 1 4 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.294 0.069 19945 3387 1 4 . 1 1 69 69 PHE C C 69 177.103 177.103 175.747 1.356 19945 3388 1 4 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.130 -0.201 19945 3389 1 4 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.629 1.901 19945 3390 1 4 . 1 1 69 69 PHE H H 69 7.659 7.659 7.326 0.333 19945 3391 1 4 . 1 1 70 70 PHE N N 70 122.293 122.293 119.540 2.753 19945 3392 1 4 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.280 0.738 19945 3393 1 4 . 1 1 70 70 PHE C C 70 174.396 174.396 174.733 -0.337 19945 3394 1 4 . 1 1 70 70 PHE CA C 70 59.123 59.123 63.090 -3.967 19945 3395 1 4 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.633 -0.878 19945 3396 1 4 . 1 1 70 70 PHE H H 70 8.197 8.197 7.490 0.707 19945 3397 1 4 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.495 -0.097 19945 3398 1 4 . 1 1 71 71 PRO C C 71 179.118 179.118 177.381 1.737 19945 3399 1 4 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.055 1.312 19945 3400 1 4 . 1 1 71 71 PRO CB C 71 30.930 30.930 30.973 -0.043 19945 3401 1 4 . 1 1 72 72 THR N N 72 114.461 114.461 113.956 0.505 19945 3402 1 4 . 1 1 72 72 THR HA H 72 3.816 3.816 3.974 -0.158 19945 3403 1 4 . 1 1 72 72 THR C C 72 176.498 176.498 176.679 -0.181 19945 3404 1 4 . 1 1 72 72 THR CA C 72 65.803 65.803 64.635 1.169 19945 3405 1 4 . 1 1 72 72 THR CB C 72 67.203 67.203 68.337 -1.134 19945 3406 1 4 . 1 1 72 72 THR H H 72 7.534 7.534 7.524 0.010 19945 3407 1 4 . 1 1 73 73 LEU N N 73 124.812 124.812 123.578 1.234 19945 3408 1 4 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.129 -0.039 19945 3409 1 4 . 1 1 73 73 LEU C C 73 177.996 177.996 178.230 -0.234 19945 3410 1 4 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.227 -0.076 19945 3411 1 4 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.006 1.780 19945 3412 1 4 . 1 1 73 73 LEU H H 73 8.123 8.123 8.255 -0.132 19945 3413 1 4 . 1 1 74 74 GLU N N 74 111.877 111.877 115.540 -3.663 19945 3414 1 4 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.238 -0.413 19945 3415 1 4 . 1 1 74 74 GLU C C 74 176.930 176.930 177.074 -0.144 19945 3416 1 4 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.151 -0.476 19945 3417 1 4 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.346 0.675 19945 3418 1 4 . 1 1 74 74 GLU H H 74 7.933 7.933 7.935 -0.002 19945 3419 1 4 . 1 1 75 75 GLU N N 75 116.571 116.571 117.537 -0.966 19945 3420 1 4 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.303 0.044 19945 3421 1 4 . 1 1 75 75 GLU C C 75 177.045 177.045 176.341 0.704 19945 3422 1 4 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.253 -0.227 19945 3423 1 4 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.421 0.088 19945 3424 1 4 . 1 1 75 75 GLU H H 75 7.659 7.659 7.903 -0.244 19945 3425 1 4 . 1 1 76 76 ILE N N 76 123.080 123.080 120.737 2.343 19945 3426 1 4 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.662 0.115 19945 3427 1 4 . 1 1 76 76 ILE C C 76 174.656 174.656 174.243 0.413 19945 3428 1 4 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.334 -0.260 19945 3429 1 4 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.747 0.258 19945 3430 1 4 . 1 1 76 76 ILE H H 76 7.468 7.468 7.300 0.168 19945 3431 1 4 . 1 1 77 77 ASP N N 77 126.540 126.540 123.588 2.952 19945 3432 1 4 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.629 0.184 19945 3433 1 4 . 1 1 77 77 ASP C C 77 176.614 176.614 174.681 1.933 19945 3434 1 4 . 1 1 77 77 ASP CA C 77 53.141 53.141 52.852 0.289 19945 3435 1 4 . 1 1 77 77 ASP CB C 77 40.865 40.865 43.681 -2.816 19945 3436 1 4 . 1 1 77 77 ASP H H 77 8.605 8.605 7.855 0.750 19945 3437 1 4 . 1 1 78 78 PHE N N 78 124.583 124.583 121.602 2.981 19945 3438 1 4 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.701 -0.541 19945 3439 1 4 . 1 1 78 78 PHE C C 78 175.347 175.347 175.480 -0.133 19945 3440 1 4 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.857 2.285 19945 3441 1 4 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.780 0.388 19945 3442 1 4 . 1 1 78 78 PHE H H 78 8.053 8.053 8.664 -0.611 19945 3443 1 4 . 1 1 79 79 ASN N N 79 121.321 121.321 120.933 0.388 19945 3444 1 4 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.562 -0.045 19945 3445 1 4 . 1 1 79 79 ASN C C 79 176.815 176.815 176.575 0.240 19945 3446 1 4 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.532 0.920 19945 3447 1 4 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.367 0.372 19945 3448 1 4 . 1 1 79 79 ASN H H 79 8.695 8.695 8.757 -0.062 19945 3449 1 4 . 1 1 80 80 GLY N N 80 114.150 114.150 112.838 1.312 19945 3450 1 4 . 1 1 80 80 GLY C C 80 174.195 174.195 174.474 -0.279 19945 3451 1 4 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.617 0.029 19945 3452 1 4 . 1 1 80 80 GLY H H 80 8.646 8.646 8.439 0.207 19945 3453 1 4 . 1 1 81 81 LYS N N 81 119.318 119.318 121.203 -1.885 19945 3454 1 4 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.538 0.499 19945 3455 1 4 . 1 1 81 81 LYS C C 81 176.268 176.268 176.143 0.125 19945 3456 1 4 . 1 1 81 81 LYS CA C 81 55.996 55.996 55.883 0.113 19945 3457 1 4 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.411 0.544 19945 3458 1 4 . 1 1 81 81 LYS H H 81 8.295 8.295 7.869 0.426 19945 3459 1 4 . 1 1 82 82 LEU N N 82 127.000 127.000 123.676 3.324 19945 3460 1 4 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.973 0.257 19945 3461 1 4 . 1 1 82 82 LEU C C 82 175.347 175.347 176.039 -0.692 19945 3462 1 4 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.458 -0.654 19945 3463 1 4 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.376 0.775 19945 3464 1 4 . 1 1 82 82 LEU H H 82 8.407 8.407 8.683 -0.276 19945 3465 1 4 . 1 1 83 83 VAL N N 83 121.665 121.665 121.941 -0.276 19945 3466 1 4 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.296 0.544 19945 3467 1 4 . 1 1 83 83 VAL C C 83 173.417 173.417 174.147 -0.730 19945 3468 1 4 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.326 -1.124 19945 3469 1 4 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.567 0.781 19945 3470 1 4 . 1 1 83 83 VAL H H 83 8.960 8.960 9.119 -0.159 19945 3471 1 4 . 1 1 84 84 ALA N N 84 128.017 128.017 128.390 -0.373 19945 3472 1 4 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.780 -0.447 19945 3473 1 4 . 1 1 84 84 ALA C C 84 175.231 175.231 175.835 -0.604 19945 3474 1 4 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.539 0.889 19945 3475 1 4 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.051 1.077 19945 3476 1 4 . 1 1 84 84 ALA H H 84 9.021 9.021 9.104 -0.083 19945 3477 1 4 . 1 1 85 85 LEU N N 85 124.220 124.220 121.025 3.195 19945 3478 1 4 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.602 0.010 19945 3479 1 4 . 1 1 85 85 LEU C C 85 174.454 174.454 176.059 -1.605 19945 3480 1 4 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.133 -0.160 19945 3481 1 4 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.059 0.854 19945 3482 1 4 . 1 1 85 85 LEU H H 85 11.134 11.134 8.958 2.176 19945 3483 1 4 . 1 1 86 86 PHE N N 86 114.461 114.461 117.230 -2.769 19945 3484 1 4 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.140 0.082 19945 3485 1 4 . 1 1 86 86 PHE C C 86 173.619 173.619 173.851 -0.232 19945 3486 1 4 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.202 -0.524 19945 3487 1 4 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.835 1.145 19945 3488 1 4 . 1 1 86 86 PHE H H 86 8.829 8.829 8.764 0.065 19945 3489 1 4 . 1 1 87 87 GLY N N 87 104.437 104.437 106.057 -1.620 19945 3490 1 4 . 1 1 87 87 GLY C C 87 170.423 170.423 171.790 -1.367 19945 3491 1 4 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.338 0.592 19945 3492 1 4 . 1 1 87 87 GLY H H 87 8.496 8.496 8.862 -0.366 19945 3493 1 4 . 1 1 88 88 CYS N N 88 114.166 114.166 119.644 -5.478 19945 3494 1 4 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.621 1.382 19945 3495 1 4 . 1 1 88 88 CYS C C 88 174.425 174.425 173.785 0.640 19945 3496 1 4 . 1 1 88 88 CYS CA C 88 56.538 56.538 58.226 -1.688 19945 3497 1 4 . 1 1 88 88 CYS CB C 88 31.301 31.301 29.722 1.579 19945 3498 1 4 . 1 1 88 88 CYS H H 88 5.354 5.354 8.219 -2.865 19945 3499 1 4 . 1 1 89 89 GLY N N 89 109.463 109.463 110.533 -1.070 19945 3500 1 4 . 1 1 89 89 GLY C C 89 173.187 173.187 171.524 1.663 19945 3501 1 4 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.653 1.790 19945 3502 1 4 . 1 1 89 89 GLY H H 89 8.404 8.404 8.044 0.360 19945 3503 1 4 . 1 1 90 90 ASP N N 90 123.090 123.090 119.196 3.894 19945 3504 1 4 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.168 0.631 19945 3505 1 4 . 1 1 90 90 ASP C C 90 176.095 176.095 176.131 -0.036 19945 3506 1 4 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.386 -0.833 19945 3507 1 4 . 1 1 90 90 ASP CB C 90 43.255 43.255 42.669 0.586 19945 3508 1 4 . 1 1 90 90 ASP H H 90 8.698 8.698 8.431 0.267 19945 3509 1 4 . 1 1 91 91 GLN N N 91 123.780 123.780 125.221 -1.441 19945 3510 1 4 . 1 1 91 91 GLN HA H 91 3.696 3.696 3.924 -0.228 19945 3511 1 4 . 1 1 91 91 GLN C C 91 173.639 173.639 174.620 -0.981 19945 3512 1 4 . 1 1 91 91 GLN CA C 91 57.060 57.060 56.526 0.534 19945 3513 1 4 . 1 1 91 91 GLN CB C 91 29.441 29.441 27.096 2.345 19945 3514 1 4 . 1 1 91 91 GLN H H 91 9.675 9.675 8.849 0.826 19945 3515 1 4 . 1 1 92 92 GLU N N 92 118.631 118.631 122.854 -4.223 19945 3516 1 4 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.468 0.123 19945 3517 1 4 . 1 1 92 92 GLU C C 92 177.247 177.247 176.448 0.799 19945 3518 1 4 . 1 1 92 92 GLU CA C 92 57.336 57.336 55.825 1.512 19945 3519 1 4 . 1 1 92 92 GLU CB C 92 30.770 30.770 31.120 -0.350 19945 3520 1 4 . 1 1 92 92 GLU H H 92 8.396 8.396 7.969 0.427 19945 3521 1 4 . 1 1 93 93 ASP N N 93 120.889 120.889 120.605 0.284 19945 3522 1 4 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.479 -0.197 19945 3523 1 4 . 1 1 93 93 ASP C C 93 175.986 175.986 178.277 -2.291 19945 3524 1 4 . 1 1 93 93 ASP CA C 93 55.425 55.425 56.133 -0.709 19945 3525 1 4 . 1 1 93 93 ASP CB C 93 40.250 40.250 40.737 -0.487 19945 3526 1 4 . 1 1 93 93 ASP H H 93 7.779 7.779 8.447 -0.668 19945 3527 1 4 . 1 1 94 94 TYR N N 94 117.028 117.028 119.436 -2.408 19945 3528 1 4 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.857 -0.172 19945 3529 1 4 . 1 1 94 94 TYR C C 94 175.519 175.519 176.075 -0.556 19945 3530 1 4 . 1 1 94 94 TYR CA C 94 56.379 56.379 55.588 0.791 19945 3531 1 4 . 1 1 94 94 TYR CB C 94 36.842 36.842 35.740 1.102 19945 3532 1 4 . 1 1 94 94 TYR H H 94 6.693 6.693 7.691 -0.998 19945 3533 1 4 . 1 1 95 95 ALA N N 95 121.950 121.950 123.471 -1.521 19945 3534 1 4 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.498 -0.342 19945 3535 1 4 . 1 1 95 95 ALA C C 95 179.723 179.723 178.339 1.384 19945 3536 1 4 . 1 1 95 95 ALA CA C 95 55.923 55.923 55.170 0.753 19945 3537 1 4 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.816 1.739 19945 3538 1 4 . 1 1 95 95 ALA H H 95 6.962 6.962 7.829 -0.867 19945 3539 1 4 . 1 1 96 96 GLU N N 96 115.884 115.884 116.185 -0.301 19945 3540 1 4 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.282 0.024 19945 3541 1 4 . 1 1 96 96 GLU C C 96 174.684 174.684 176.499 -1.815 19945 3542 1 4 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.116 -0.131 19945 3543 1 4 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.615 -0.439 19945 3544 1 4 . 1 1 96 96 GLU H H 96 9.327 9.327 8.749 0.578 19945 3545 1 4 . 1 1 97 97 TYR N N 97 121.836 121.836 116.832 5.004 19945 3546 1 4 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.740 0.669 19945 3547 1 4 . 1 1 97 97 TYR C C 97 179.953 179.953 174.598 5.355 19945 3548 1 4 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.319 0.124 19945 3549 1 4 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.364 1.928 19945 3550 1 4 . 1 1 97 97 TYR H H 97 8.175 8.175 8.168 0.007 19945 3551 1 4 . 1 1 98 98 PHE N N 98 124.580 124.580 123.679 0.901 19945 3552 1 4 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.518 0.619 19945 3553 1 4 . 1 1 98 98 PHE C C 98 174.742 174.742 175.842 -1.100 19945 3554 1 4 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.772 -1.109 19945 3555 1 4 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.486 -0.831 19945 3556 1 4 . 1 1 98 98 PHE H H 98 7.889 7.889 8.230 -0.341 19945 3557 1 4 . 1 1 99 99 CYS N N 99 120.329 120.329 122.876 -2.547 19945 3558 1 4 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.614 0.038 19945 3559 1 4 . 1 1 99 99 CYS C C 99 175.087 175.087 175.442 -0.355 19945 3560 1 4 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.086 2.790 19945 3561 1 4 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.087 -1.087 19945 3562 1 4 . 1 1 99 99 CYS H H 99 8.617 8.617 8.453 0.164 19945 3563 1 4 . 1 1 100 100 ASP N N 100 116.705 116.705 121.772 -5.067 19945 3564 1 4 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.320 -0.375 19945 3565 1 4 . 1 1 100 100 ASP C C 100 178.888 178.888 177.151 1.737 19945 3566 1 4 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.146 0.982 19945 3567 1 4 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.232 0.718 19945 3568 1 4 . 1 1 100 100 ASP H H 100 7.104 7.104 7.971 -0.867 19945 3569 1 4 . 1 1 101 101 ALA N N 101 118.631 118.631 121.361 -2.730 19945 3570 1 4 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.177 -0.026 19945 3571 1 4 . 1 1 101 101 ALA C C 101 178.600 178.600 179.232 -0.632 19945 3572 1 4 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.425 -0.028 19945 3573 1 4 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.589 0.221 19945 3574 1 4 . 1 1 101 101 ALA H H 101 8.716 8.716 7.630 1.086 19945 3575 1 4 . 1 1 102 102 LEU N N 102 115.083 115.083 118.369 -3.286 19945 3576 1 4 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.926 -0.312 19945 3577 1 4 . 1 1 102 102 LEU C C 102 179.573 179.573 179.152 0.421 19945 3578 1 4 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.433 0.411 19945 3579 1 4 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.442 1.272 19945 3580 1 4 . 1 1 102 102 LEU H H 102 7.171 7.171 7.773 -0.602 19945 3581 1 4 . 1 1 103 103 GLY N N 103 104.501 104.501 105.631 -1.130 19945 3582 1 4 . 1 1 103 103 GLY C C 103 175.145 175.145 175.758 -0.613 19945 3583 1 4 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.361 -0.653 19945 3584 1 4 . 1 1 103 103 GLY H H 103 7.365 7.365 8.109 -0.744 19945 3585 1 4 . 1 1 104 104 THR N N 104 118.860 118.860 117.626 1.234 19945 3586 1 4 . 1 1 104 104 THR HA H 104 3.737 3.737 3.960 -0.223 19945 3587 1 4 . 1 1 104 104 THR C C 104 176.354 176.354 175.693 0.661 19945 3588 1 4 . 1 1 104 104 THR CA C 104 65.799 65.799 65.934 -0.135 19945 3589 1 4 . 1 1 104 104 THR CB C 104 67.961 67.961 68.332 -0.371 19945 3590 1 4 . 1 1 104 104 THR H H 104 7.343 7.343 7.396 -0.053 19945 3591 1 4 . 1 1 105 105 ILE N N 105 118.663 118.663 120.937 -2.274 19945 3592 1 4 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.886 -0.382 19945 3593 1 4 . 1 1 105 105 ILE C C 105 177.391 177.391 177.380 0.011 19945 3594 1 4 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.731 0.819 19945 3595 1 4 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.706 0.044 19945 3596 1 4 . 1 1 105 105 ILE H H 105 7.589 7.589 7.489 0.100 19945 3597 1 4 . 1 1 106 106 ARG N N 106 126.041 126.041 120.634 5.407 19945 3598 1 4 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.833 -0.253 19945 3599 1 4 . 1 1 106 106 ARG C C 106 176.614 176.614 178.208 -1.594 19945 3600 1 4 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.106 0.161 19945 3601 1 4 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.049 -2.733 19945 3602 1 4 . 1 1 106 106 ARG H H 106 7.307 7.307 8.156 -0.849 19945 3603 1 4 . 1 1 107 107 ASP N N 107 117.480 117.480 118.277 -0.797 19945 3604 1 4 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.460 -0.112 19945 3605 1 4 . 1 1 107 107 ASP C C 107 177.189 177.189 177.629 -0.440 19945 3606 1 4 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.672 -0.172 19945 3607 1 4 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.666 -0.992 19945 3608 1 4 . 1 1 107 107 ASP H H 107 8.202 8.202 8.169 0.033 19945 3609 1 4 . 1 1 108 108 ILE N N 108 117.715 117.715 118.304 -0.589 19945 3610 1 4 . 1 1 108 108 ILE HA H 108 3.856 3.856 4.075 -0.219 19945 3611 1 4 . 1 1 108 108 ILE C C 108 178.427 178.427 177.770 0.657 19945 3612 1 4 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.525 0.452 19945 3613 1 4 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.236 0.215 19945 3614 1 4 . 1 1 108 108 ILE H H 108 7.107 7.107 7.627 -0.520 19945 3615 1 4 . 1 1 109 109 ILE N N 109 111.534 111.534 118.572 -7.038 19945 3616 1 4 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.710 0.025 19945 3617 1 4 . 1 1 109 109 ILE C C 109 177.305 177.305 177.402 -0.097 19945 3618 1 4 . 1 1 109 109 ILE CA C 109 64.605 64.605 65.328 -0.723 19945 3619 1 4 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.425 -0.014 19945 3620 1 4 . 1 1 109 109 ILE H H 109 7.501 7.501 8.356 -0.855 19945 3621 1 4 . 1 1 110 110 GLU N N 110 127.123 127.123 122.408 4.715 19945 3622 1 4 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.287 0.011 19945 3623 1 4 . 1 1 110 110 GLU C C 110 177.391 177.391 177.222 0.169 19945 3624 1 4 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.316 2.015 19945 3625 1 4 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.534 -0.686 19945 3626 1 4 . 1 1 110 110 GLU H H 110 8.867 8.867 8.410 0.457 19945 3627 1 4 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.363 0.253 19945 3628 1 4 . 1 1 111 111 PRO C C 111 177.417 177.417 178.108 -0.691 19945 3629 1 4 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.597 0.638 19945 3630 1 4 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.360 -0.325 19945 3631 1 4 . 1 1 112 112 ARG N N 112 114.612 114.612 116.768 -2.156 19945 3632 1 4 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.378 0.190 19945 3633 1 4 . 1 1 112 112 ARG C C 112 175.792 175.792 176.614 -0.822 19945 3634 1 4 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.294 0.448 19945 3635 1 4 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.931 0.573 19945 3636 1 4 . 1 1 112 112 ARG H H 112 6.542 6.542 8.007 -1.465 19945 3637 1 4 . 1 1 113 113 GLY N N 113 106.474 106.474 105.981 0.493 19945 3638 1 4 . 1 1 113 113 GLY C C 113 174.347 174.347 173.710 0.637 19945 3639 1 4 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.018 0.622 19945 3640 1 4 . 1 1 113 113 GLY H H 113 7.845 7.845 8.054 -0.209 19945 3641 1 4 . 1 1 114 114 ALA N N 114 122.280 122.280 124.506 -2.226 19945 3642 1 4 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.850 -0.571 19945 3643 1 4 . 1 1 114 114 ALA C C 114 176.785 176.785 177.448 -0.663 19945 3644 1 4 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.329 1.062 19945 3645 1 4 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.548 0.064 19945 3646 1 4 . 1 1 114 114 ALA H H 114 7.535 7.535 8.235 -0.700 19945 3647 1 4 . 1 1 115 115 THR N N 115 120.909 120.909 119.614 1.295 19945 3648 1 4 . 1 1 115 115 THR HA H 115 4.478 4.478 4.562 -0.084 19945 3649 1 4 . 1 1 115 115 THR C C 115 172.963 172.963 173.413 -0.450 19945 3650 1 4 . 1 1 115 115 THR CA C 115 62.825 62.825 62.913 -0.088 19945 3651 1 4 . 1 1 115 115 THR CB C 115 69.501 69.501 69.109 0.392 19945 3652 1 4 . 1 1 115 115 THR H H 115 7.902 7.902 8.787 -0.885 19945 3653 1 4 . 1 1 116 116 ILE N N 116 129.162 129.162 128.190 0.972 19945 3654 1 4 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.115 0.182 19945 3655 1 4 . 1 1 116 116 ILE C C 116 177.056 177.056 176.569 0.487 19945 3656 1 4 . 1 1 116 116 ILE CA C 116 60.523 60.523 58.669 1.854 19945 3657 1 4 . 1 1 116 116 ILE CB C 116 38.300 38.300 37.824 0.476 19945 3658 1 4 . 1 1 116 116 ILE H H 116 8.784 8.784 8.607 0.177 19945 3659 1 4 . 1 1 117 117 VAL N N 117 122.981 122.981 119.926 3.055 19945 3660 1 4 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.737 -0.143 19945 3661 1 4 . 1 1 117 117 VAL C C 117 175.190 175.190 175.850 -0.660 19945 3662 1 4 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.782 -0.853 19945 3663 1 4 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.260 -1.896 19945 3664 1 4 . 1 1 117 117 VAL H H 117 8.812 8.812 8.875 -0.063 19945 3665 1 4 . 1 1 118 118 GLY N N 118 108.558 108.558 108.436 0.122 19945 3666 1 4 . 1 1 118 118 GLY C C 118 175.792 175.792 174.830 0.962 19945 3667 1 4 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.673 2.073 19945 3668 1 4 . 1 1 118 118 GLY H H 118 9.297 9.297 9.318 -0.021 19945 3669 1 4 . 1 1 119 119 HIS N N 119 118.402 118.402 117.934 0.468 19945 3670 1 4 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.877 -0.105 19945 3671 1 4 . 1 1 119 119 HIS C C 119 175.866 175.866 174.471 1.395 19945 3672 1 4 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.416 0.186 19945 3673 1 4 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.619 -0.763 19945 3674 1 4 . 1 1 119 119 HIS H H 119 8.901 8.901 7.897 1.004 19945 3675 1 4 . 1 1 120 120 TRP N N 120 124.300 124.300 127.240 -2.940 19945 3676 1 4 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.283 1.010 19945 3677 1 4 . 1 1 120 120 TRP C C 120 173.113 173.113 174.238 -1.125 19945 3678 1 4 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.985 -0.481 19945 3679 1 4 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.468 2.818 19945 3680 1 4 . 1 1 120 120 TRP H H 120 8.455 8.455 9.126 -0.671 19945 3681 1 4 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.464 0.133 19945 3682 1 4 . 1 1 121 121 PRO C C 121 176.243 176.243 177.023 -0.780 19945 3683 1 4 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.540 0.910 19945 3684 1 4 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.416 -0.320 19945 3685 1 4 . 1 1 122 122 THR N N 122 110.568 110.568 110.506 0.062 19945 3686 1 4 . 1 1 122 122 THR HA H 122 4.232 4.232 3.811 0.421 19945 3687 1 4 . 1 1 122 122 THR C C 122 176.424 176.424 175.307 1.117 19945 3688 1 4 . 1 1 122 122 THR CA C 122 62.079 62.079 63.257 -1.177 19945 3689 1 4 . 1 1 122 122 THR CB C 122 68.758 68.758 68.839 -0.081 19945 3690 1 4 . 1 1 122 122 THR H H 122 7.560 7.560 8.136 -0.576 19945 3691 1 4 . 1 1 123 123 ALA N N 123 126.038 126.038 123.737 2.301 19945 3692 1 4 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.892 0.377 19945 3693 1 4 . 1 1 123 123 ALA C C 123 178.862 178.862 177.373 1.489 19945 3694 1 4 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.617 1.265 19945 3695 1 4 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.247 1.037 19945 3696 1 4 . 1 1 123 123 ALA H H 123 7.144 7.144 8.056 -0.912 19945 3697 1 4 . 1 1 124 124 GLY N N 124 111.468 111.468 106.569 4.899 19945 3698 1 4 . 1 1 124 124 GLY C C 124 173.775 173.775 174.526 -0.751 19945 3699 1 4 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.866 0.515 19945 3700 1 4 . 1 1 124 124 GLY H H 124 9.058 9.058 8.286 0.772 19945 3701 1 4 . 1 1 125 125 TYR N N 125 119.088 119.088 116.403 2.685 19945 3702 1 4 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.159 0.783 19945 3703 1 4 . 1 1 125 125 TYR C C 125 175.581 175.581 175.320 0.261 19945 3704 1 4 . 1 1 125 125 TYR CA C 125 56.762 56.762 57.661 -0.899 19945 3705 1 4 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.420 2.130 19945 3706 1 4 . 1 1 125 125 TYR H H 125 8.008 8.008 7.997 0.011 19945 3707 1 4 . 1 1 126 126 HIS N N 126 121.799 121.799 114.417 7.382 19945 3708 1 4 . 1 1 126 126 HIS HA H 126 5.013 5.013 3.831 1.182 19945 3709 1 4 . 1 1 126 126 HIS C C 126 171.969 171.969 174.172 -2.203 19945 3710 1 4 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.431 -2.284 19945 3711 1 4 . 1 1 126 126 HIS CB C 126 28.387 28.387 27.573 0.814 19945 3712 1 4 . 1 1 126 126 HIS H H 126 9.512 9.512 7.606 1.906 19945 3713 1 4 . 1 1 127 127 PHE N N 127 117.258 117.258 117.826 -0.568 19945 3714 1 4 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.592 0.331 19945 3715 1 4 . 1 1 127 127 PHE C C 127 172.722 172.722 176.291 -3.569 19945 3716 1 4 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.240 -0.940 19945 3717 1 4 . 1 1 127 127 PHE CB C 127 39.754 39.754 41.817 -2.063 19945 3718 1 4 . 1 1 127 127 PHE H H 127 7.397 7.397 7.314 0.083 19945 3719 1 4 . 1 1 128 128 GLU N N 128 120.484 120.484 120.318 0.166 19945 3720 1 4 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.074 0.289 19945 3721 1 4 . 1 1 128 128 GLU C C 128 176.033 176.033 176.001 0.032 19945 3722 1 4 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.560 -1.492 19945 3723 1 4 . 1 1 128 128 GLU CB C 128 31.832 31.832 29.886 1.946 19945 3724 1 4 . 1 1 128 128 GLU H H 128 8.492 8.492 8.314 0.178 19945 3725 1 4 . 1 1 129 129 ALA N N 129 123.500 123.500 119.679 3.821 19945 3726 1 4 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.718 -0.020 19945 3727 1 4 . 1 1 129 129 ALA C C 129 174.016 174.016 175.638 -1.622 19945 3728 1 4 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.792 0.662 19945 3729 1 4 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.566 0.437 19945 3730 1 4 . 1 1 129 129 ALA H H 129 9.155 9.155 8.049 1.106 19945 3731 1 4 . 1 1 130 130 SER N N 130 110.807 110.807 113.186 -2.379 19945 3732 1 4 . 1 1 130 130 SER HA H 130 4.942 4.942 4.954 -0.012 19945 3733 1 4 . 1 1 130 130 SER C C 130 176.665 176.665 174.486 2.179 19945 3734 1 4 . 1 1 130 130 SER CA C 130 57.471 57.471 58.273 -0.802 19945 3735 1 4 . 1 1 130 130 SER CB C 130 67.205 67.205 66.380 0.825 19945 3736 1 4 . 1 1 130 130 SER H H 130 8.101 8.101 8.580 -0.479 19945 3737 1 4 . 1 1 131 131 LYS N N 131 129.963 129.963 123.209 6.754 19945 3738 1 4 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.600 -0.151 19945 3739 1 4 . 1 1 131 131 LYS C C 131 176.533 176.533 177.059 -0.526 19945 3740 1 4 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.120 0.780 19945 3741 1 4 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.352 -0.723 19945 3742 1 4 . 1 1 131 131 LYS H H 131 9.690 9.690 8.502 1.188 19945 3743 1 4 . 1 1 132 132 GLY N N 132 107.870 107.870 107.756 0.114 19945 3744 1 4 . 1 1 132 132 GLY C C 132 173.354 173.354 173.398 -0.044 19945 3745 1 4 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.888 0.758 19945 3746 1 4 . 1 1 132 132 GLY H H 132 9.187 9.187 7.807 1.380 19945 3747 1 4 . 1 1 133 133 LEU N N 133 119.088 119.088 120.851 -1.763 19945 3748 1 4 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.115 0.528 19945 3749 1 4 . 1 1 133 133 LEU C C 133 177.748 177.748 176.512 1.236 19945 3750 1 4 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.525 -0.049 19945 3751 1 4 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.100 -1.596 19945 3752 1 4 . 1 1 133 133 LEU H H 133 7.098 7.098 7.481 -0.383 19945 3753 1 4 . 1 1 134 134 ALA N N 134 125.720 125.720 125.871 -0.151 19945 3754 1 4 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.390 -0.153 19945 3755 1 4 . 1 1 134 134 ALA C C 134 176.695 176.695 177.041 -0.346 19945 3756 1 4 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.867 -0.579 19945 3757 1 4 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.404 -0.792 19945 3758 1 4 . 1 1 134 134 ALA H H 134 9.154 9.154 9.044 0.110 19945 3759 1 4 . 1 1 135 135 ASP N N 135 114.952 114.952 116.117 -1.165 19945 3760 1 4 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.813 -0.284 19945 3761 1 4 . 1 1 135 135 ASP C C 135 175.130 175.130 175.463 -0.333 19945 3762 1 4 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.176 -0.216 19945 3763 1 4 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.887 -3.359 19945 3764 1 4 . 1 1 135 135 ASP H H 135 8.299 8.299 7.863 0.436 19945 3765 1 4 . 1 1 136 136 ASP N N 136 114.870 114.870 121.526 -6.656 19945 3766 1 4 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.342 -0.007 19945 3767 1 4 . 1 1 136 136 ASP C C 136 176.303 176.303 176.677 -0.374 19945 3768 1 4 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.837 1.007 19945 3769 1 4 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.028 -0.164 19945 3770 1 4 . 1 1 136 136 ASP H H 136 8.433 8.433 8.783 -0.350 19945 3771 1 4 . 1 1 137 137 ASP N N 137 113.709 113.709 117.424 -3.715 19945 3772 1 4 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.615 0.216 19945 3773 1 4 . 1 1 137 137 ASP C C 137 176.514 176.514 175.021 1.493 19945 3774 1 4 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.922 -0.605 19945 3775 1 4 . 1 1 137 137 ASP CB C 137 42.458 42.458 41.939 0.519 19945 3776 1 4 . 1 1 137 137 ASP H H 137 8.232 8.232 8.270 -0.038 19945 3777 1 4 . 1 1 138 138 HIS N N 138 117.829 117.829 118.088 -0.259 19945 3778 1 4 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.990 0.292 19945 3779 1 4 . 1 1 138 138 HIS C C 138 175.130 175.130 174.221 0.909 19945 3780 1 4 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.041 1.558 19945 3781 1 4 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.570 -0.570 19945 3782 1 4 . 1 1 138 138 HIS H H 138 7.764 7.764 7.668 0.096 19945 3783 1 4 . 1 1 139 139 PHE N N 139 123.553 123.553 122.238 1.315 19945 3784 1 4 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.835 0.184 19945 3785 1 4 . 1 1 139 139 PHE C C 139 177.477 177.477 177.378 0.099 19945 3786 1 4 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.527 0.032 19945 3787 1 4 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.577 3.295 19945 3788 1 4 . 1 1 139 139 PHE H H 139 9.955 9.955 9.559 0.396 19945 3789 1 4 . 1 1 140 140 VAL N N 140 119.420 119.420 120.495 -1.075 19945 3790 1 4 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.030 -0.352 19945 3791 1 4 . 1 1 140 140 VAL C C 140 173.023 173.023 175.340 -2.317 19945 3792 1 4 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.850 -2.733 19945 3793 1 4 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.300 0.236 19945 3794 1 4 . 1 1 140 140 VAL H H 140 9.178 9.178 8.815 0.363 19945 3795 1 4 . 1 1 141 141 GLY N N 141 105.680 105.680 103.637 2.043 19945 3796 1 4 . 1 1 141 141 GLY C C 141 171.284 171.284 172.371 -1.087 19945 3797 1 4 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.962 0.759 19945 3798 1 4 . 1 1 141 141 GLY H H 141 6.837 6.837 7.543 -0.706 19945 3799 1 4 . 1 1 142 142 LEU N N 142 118.516 118.516 121.856 -3.340 19945 3800 1 4 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.924 -0.877 19945 3801 1 4 . 1 1 142 142 LEU C C 142 173.725 173.725 174.794 -1.069 19945 3802 1 4 . 1 1 142 142 LEU CA C 142 55.704 55.704 53.841 1.863 19945 3803 1 4 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.468 -1.729 19945 3804 1 4 . 1 1 142 142 LEU H H 142 7.423 7.423 7.802 -0.379 19945 3805 1 4 . 1 1 143 143 ALA N N 143 128.382 128.382 130.367 -1.985 19945 3806 1 4 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.528 -0.054 19945 3807 1 4 . 1 1 143 143 ALA C C 143 175.685 175.685 178.820 -3.135 19945 3808 1 4 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.624 -0.993 19945 3809 1 4 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.495 0.352 19945 3810 1 4 . 1 1 143 143 ALA H H 143 5.414 5.414 7.990 -2.576 19945 3811 1 4 . 1 1 144 144 ILE N N 144 126.754 126.754 117.917 8.837 19945 3812 1 4 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.743 0.572 19945 3813 1 4 . 1 1 144 144 ILE C C 144 173.725 173.725 175.290 -1.565 19945 3814 1 4 . 1 1 144 144 ILE CA C 144 56.721 56.721 63.517 -6.796 19945 3815 1 4 . 1 1 144 144 ILE CB C 144 37.630 37.630 37.957 -0.327 19945 3816 1 4 . 1 1 144 144 ILE H H 144 8.849 8.849 8.096 0.753 19945 3817 1 4 . 1 1 145 145 ASP N N 145 125.518 125.518 118.263 7.255 19945 3818 1 4 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.699 1.097 19945 3819 1 4 . 1 1 145 145 ASP C C 145 176.830 176.830 174.796 2.034 19945 3820 1 4 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.653 -1.100 19945 3821 1 4 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.212 0.291 19945 3822 1 4 . 1 1 145 145 ASP H H 145 8.088 8.088 7.820 0.268 19945 3823 1 4 . 1 1 146 146 GLU N N 146 125.475 125.475 120.831 4.644 19945 3824 1 4 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.547 0.116 19945 3825 1 4 . 1 1 146 146 GLU C C 146 177.132 177.132 174.924 2.208 19945 3826 1 4 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.501 -0.228 19945 3827 1 4 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.648 0.602 19945 3828 1 4 . 1 1 146 146 GLU H H 146 8.390 8.390 8.689 -0.299 19945 3829 1 4 . 1 1 147 147 ASP N N 147 120.137 120.137 120.222 -0.085 19945 3830 1 4 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.665 -0.098 19945 3831 1 4 . 1 1 147 147 ASP C C 147 178.126 178.126 174.759 3.367 19945 3832 1 4 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.992 3.009 19945 3833 1 4 . 1 1 147 147 ASP CB C 147 43.250 43.250 44.315 -1.065 19945 3834 1 4 . 1 1 147 147 ASP H H 147 8.599 8.599 8.773 -0.174 19945 3835 1 4 . 1 1 148 148 ARG N N 148 115.655 115.655 120.524 -4.869 19945 3836 1 4 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.377 0.321 19945 3837 1 4 . 1 1 148 148 ARG C C 148 177.704 177.704 174.580 3.124 19945 3838 1 4 . 1 1 148 148 ARG CA C 148 52.960 52.960 55.469 -2.509 19945 3839 1 4 . 1 1 148 148 ARG CB C 148 30.814 30.814 31.102 -0.288 19945 3840 1 4 . 1 1 148 148 ARG H H 148 9.762 9.762 7.939 1.823 19945 3841 1 4 . 1 1 149 149 GLN N N 149 116.313 116.313 121.657 -5.344 19945 3842 1 4 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.989 1.310 19945 3843 1 4 . 1 1 149 149 GLN C C 149 175.142 175.142 173.515 1.627 19945 3844 1 4 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.465 -3.064 19945 3845 1 4 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.964 2.877 19945 3846 1 4 . 1 1 149 149 GLN H H 149 7.622 7.622 8.389 -0.767 19945 3847 1 4 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.319 0.362 19945 3848 1 4 . 1 1 150 150 PRO C C 150 179.483 179.483 176.218 3.265 19945 3849 1 4 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.397 1.929 19945 3850 1 4 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.178 -1.526 19945 3851 1 4 . 1 1 151 151 GLU N N 151 122.981 122.981 121.991 0.990 19945 3852 1 4 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.505 -0.104 19945 3853 1 4 . 1 1 151 151 GLU C C 151 177.041 177.041 176.878 0.163 19945 3854 1 4 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.826 1.572 19945 3855 1 4 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.645 -3.063 19945 3856 1 4 . 1 1 151 151 GLU H H 151 10.520 10.520 8.702 1.818 19945 3857 1 4 . 1 1 152 152 LEU N N 152 120.119 120.119 120.490 -0.371 19945 3858 1 4 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.787 -0.096 19945 3859 1 4 . 1 1 152 152 LEU C C 152 177.222 177.222 176.767 0.455 19945 3860 1 4 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.098 0.211 19945 3861 1 4 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.880 0.055 19945 3862 1 4 . 1 1 152 152 LEU H H 152 7.589 7.589 8.260 -0.671 19945 3863 1 4 . 1 1 153 153 THR N N 153 119.637 119.637 116.900 2.737 19945 3864 1 4 . 1 1 153 153 THR HA H 153 3.592 3.592 3.779 -0.187 19945 3865 1 4 . 1 1 153 153 THR C C 153 174.178 174.178 176.169 -1.991 19945 3866 1 4 . 1 1 153 153 THR CA C 153 67.960 67.960 67.125 0.835 19945 3867 1 4 . 1 1 153 153 THR CB C 153 69.023 69.023 68.678 0.345 19945 3868 1 4 . 1 1 153 153 THR H H 153 7.469 7.469 8.030 -0.561 19945 3869 1 4 . 1 1 154 154 ALA N N 154 123.665 123.665 120.830 2.835 19945 3870 1 4 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.236 -0.348 19945 3871 1 4 . 1 1 154 154 ALA C C 154 180.417 180.417 179.547 0.870 19945 3872 1 4 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.080 2.458 19945 3873 1 4 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.545 -1.323 19945 3874 1 4 . 1 1 154 154 ALA H H 154 9.077 9.077 8.395 0.682 19945 3875 1 4 . 1 1 155 155 GLU N N 155 119.661 119.661 119.197 0.464 19945 3876 1 4 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.108 0.144 19945 3877 1 4 . 1 1 155 155 GLU C C 155 178.518 178.518 179.242 -0.724 19945 3878 1 4 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.055 -0.237 19945 3879 1 4 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.386 0.321 19945 3880 1 4 . 1 1 155 155 GLU H H 155 8.647 8.647 7.835 0.812 19945 3881 1 4 . 1 1 156 156 ARG N N 156 120.739 120.739 119.350 1.389 19945 3882 1 4 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.091 0.127 19945 3883 1 4 . 1 1 156 156 ARG C C 156 177.252 177.252 178.817 -1.565 19945 3884 1 4 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.463 1.006 19945 3885 1 4 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.193 0.830 19945 3886 1 4 . 1 1 156 156 ARG H H 156 8.129 8.129 8.492 -0.363 19945 3887 1 4 . 1 1 157 157 VAL N N 157 117.372 117.372 116.926 0.446 19945 3888 1 4 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.833 -0.514 19945 3889 1 4 . 1 1 157 157 VAL C C 157 177.192 177.192 177.671 -0.479 19945 3890 1 4 . 1 1 157 157 VAL CA C 157 67.400 67.400 65.988 1.412 19945 3891 1 4 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.681 1.151 19945 3892 1 4 . 1 1 157 157 VAL H H 157 8.578 8.578 7.603 0.975 19945 3893 1 4 . 1 1 158 158 GLU N N 158 118.631 118.631 122.221 -3.590 19945 3894 1 4 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.053 0.144 19945 3895 1 4 . 1 1 158 158 GLU C C 158 179.995 179.995 179.003 0.992 19945 3896 1 4 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.106 -0.368 19945 3897 1 4 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.198 -0.021 19945 3898 1 4 . 1 1 158 158 GLU H H 158 8.046 8.046 7.710 0.336 19945 3899 1 4 . 1 1 159 159 LYS N N 159 118.860 118.860 119.787 -0.927 19945 3900 1 4 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.127 0.059 19945 3901 1 4 . 1 1 159 159 LYS C C 159 179.844 179.844 179.372 0.472 19945 3902 1 4 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.506 0.489 19945 3903 1 4 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.653 1.039 19945 3904 1 4 . 1 1 159 159 LYS H H 159 8.522 8.522 8.238 0.284 19945 3905 1 4 . 1 1 160 160 TRP N N 160 125.100 125.100 121.506 3.594 19945 3906 1 4 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.629 -0.259 19945 3907 1 4 . 1 1 160 160 TRP C C 160 178.006 178.006 177.746 0.260 19945 3908 1 4 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.537 1.277 19945 3909 1 4 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.636 -0.844 19945 3910 1 4 . 1 1 160 160 TRP H H 160 9.076 9.076 8.459 0.617 19945 3911 1 4 . 1 1 161 161 VAL N N 161 118.402 118.402 119.569 -1.167 19945 3912 1 4 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.150 0.220 19945 3913 1 4 . 1 1 161 161 VAL C C 161 179.392 179.392 178.147 1.245 19945 3914 1 4 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.880 0.124 19945 3915 1 4 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.537 -1.187 19945 3916 1 4 . 1 1 161 161 VAL H H 161 9.024 9.024 8.421 0.603 19945 3917 1 4 . 1 1 162 162 LYS N N 162 123.209 123.209 119.192 4.017 19945 3918 1 4 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.880 0.122 19945 3919 1 4 . 1 1 162 162 LYS C C 162 178.759 178.759 178.809 -0.050 19945 3920 1 4 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.050 0.322 19945 3921 1 4 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.239 0.125 19945 3922 1 4 . 1 1 162 162 LYS H H 162 7.820 7.820 8.201 -0.381 19945 3923 1 4 . 1 1 163 163 GLN N N 163 121.722 121.722 118.370 3.352 19945 3924 1 4 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.048 0.142 19945 3925 1 4 . 1 1 163 163 GLN C C 163 179.935 179.935 178.322 1.613 19945 3926 1 4 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.498 1.228 19945 3927 1 4 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.551 0.471 19945 3928 1 4 . 1 1 163 163 GLN H H 163 8.126 8.126 7.593 0.533 19945 3929 1 4 . 1 1 164 164 ILE N N 164 114.390 114.390 116.884 -2.494 19945 3930 1 4 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.718 0.272 19945 3931 1 4 . 1 1 164 164 ILE C C 164 178.156 178.156 177.844 0.312 19945 3932 1 4 . 1 1 164 164 ILE CA C 164 65.176 65.176 63.977 1.199 19945 3933 1 4 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.061 0.617 19945 3934 1 4 . 1 1 164 164 ILE H H 164 9.110 9.110 7.989 1.121 19945 3935 1 4 . 1 1 165 165 SER N N 165 119.660 119.660 116.879 2.781 19945 3936 1 4 . 1 1 165 165 SER HA H 165 3.976 3.976 4.002 -0.026 19945 3937 1 4 . 1 1 165 165 SER C C 165 176.438 176.438 176.274 0.164 19945 3938 1 4 . 1 1 165 165 SER CA C 165 63.180 63.180 62.819 0.361 19945 3939 1 4 . 1 1 165 165 SER CB C 165 62.383 62.383 62.614 -0.231 19945 3940 1 4 . 1 1 165 165 SER H H 165 8.278 8.278 8.589 -0.311 19945 3941 1 4 . 1 1 166 166 GLU N N 166 122.290 122.290 119.717 2.573 19945 3942 1 4 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.240 -0.030 19945 3943 1 4 . 1 1 166 166 GLU C C 166 179.965 179.965 177.756 2.209 19945 3944 1 4 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.018 1.177 19945 3945 1 4 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.282 -0.038 19945 3946 1 4 . 1 1 166 166 GLU H H 166 7.345 7.345 7.807 -0.462 19945 3947 1 4 . 1 1 167 167 GLU N N 167 120.787 120.787 119.260 1.527 19945 3948 1 4 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.004 -0.065 19945 3949 1 4 . 1 1 167 167 GLU C C 167 178.518 178.518 178.024 0.494 19945 3950 1 4 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.603 1.397 19945 3951 1 4 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.108 0.692 19945 3952 1 4 . 1 1 167 167 GLU H H 167 8.413 8.413 7.770 0.643 19945 3953 1 4 . 1 1 168 168 LEU N N 168 115.420 115.420 116.514 -1.094 19945 3954 1 4 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.278 -0.141 19945 3955 1 4 . 1 1 168 168 LEU C C 168 175.896 175.896 176.473 -0.577 19945 3956 1 4 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.362 0.418 19945 3957 1 4 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.401 0.899 19945 3958 1 4 . 1 1 168 168 LEU H H 168 8.553 8.553 7.866 0.687 19945 3959 1 4 . 1 1 169 169 HIS N N 169 113.347 113.347 112.441 0.906 19945 3960 1 4 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.302 0.049 19945 3961 1 4 . 1 1 169 169 HIS C C 169 175.835 175.835 175.936 -0.101 19945 3962 1 4 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.920 -0.648 19945 3963 1 4 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.468 -0.747 19945 3964 1 4 . 1 1 169 169 HIS H H 169 7.550 7.550 7.719 -0.169 19945 3965 1 4 . 1 1 170 170 LEU N N 170 117.250 117.250 118.122 -0.872 19945 3966 1 4 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.120 -0.117 19945 3967 1 4 . 1 1 170 170 LEU C C 170 178.096 178.096 177.674 0.422 19945 3968 1 4 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.474 1.494 19945 3969 1 4 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.503 0.355 19945 3970 1 4 . 1 1 170 170 LEU H H 170 8.069 8.069 7.889 0.180 19945 3971 1 4 . 1 1 171 171 ASP N N 171 117.300 117.300 120.362 -3.062 19945 3972 1 4 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.281 0.054 19945 3973 1 4 . 1 1 171 171 ASP C C 171 177.915 177.915 178.143 -0.228 19945 3974 1 4 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.227 -1.537 19945 3975 1 4 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.805 -0.745 19945 3976 1 4 . 1 1 171 171 ASP H H 171 8.732 8.732 8.388 0.344 19945 3977 1 4 . 1 1 172 172 GLU N N 172 119.203 119.203 116.348 2.855 19945 3978 1 4 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.191 0.036 19945 3979 1 4 . 1 1 172 172 GLU C C 172 178.277 178.277 177.403 0.874 19945 3980 1 4 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.060 0.072 19945 3981 1 4 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.521 0.479 19945 3982 1 4 . 1 1 172 172 GLU H H 172 7.804 7.804 8.112 -0.308 19945 3983 1 4 . 1 1 173 173 ILE N N 173 119.519 119.519 116.935 2.584 19945 3984 1 4 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.131 -0.078 19945 3985 1 4 . 1 1 173 173 ILE C C 173 178.006 178.006 178.218 -0.212 19945 3986 1 4 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.250 0.350 19945 3987 1 4 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.352 -0.352 19945 3988 1 4 . 1 1 173 173 ILE H H 173 7.787 7.787 7.623 0.164 19945 3989 1 4 . 1 1 174 174 LEU N N 174 121.260 121.260 118.075 3.185 19945 3990 1 4 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.326 -0.040 19945 3991 1 4 . 1 1 174 174 LEU C C 174 177.704 177.704 177.527 0.177 19945 3992 1 4 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.414 -1.141 19945 3993 1 4 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.387 0.072 19945 3994 1 4 . 1 1 174 174 LEU H H 174 8.241 8.241 8.519 -0.278 19945 3995 1 4 . 1 1 175 175 ASN N N 175 118.280 118.280 117.610 0.670 19945 3996 1 4 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.818 0.011 19945 3997 1 4 . 1 1 175 175 ASN C C 175 173.846 173.846 175.139 -1.293 19945 3998 1 4 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.617 1.605 19945 3999 1 4 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.209 0.062 19945 4000 1 4 . 1 1 175 175 ASN H H 175 7.883 7.883 7.997 -0.114 19945 4001 1 5 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.759 -0.507 19945 4002 1 5 . 1 1 2 2 ALA C C 2 174.479 174.479 178.038 -3.559 19945 4003 1 5 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.605 1.863 19945 4004 1 5 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.033 -0.866 19945 4005 1 5 . 1 1 3 3 ILE N N 3 116.571 116.571 115.512 1.059 19945 4006 1 5 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.410 0.135 19945 4007 1 5 . 1 1 3 3 ILE C C 3 175.806 175.806 175.899 -0.093 19945 4008 1 5 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.276 0.919 19945 4009 1 5 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.754 0.656 19945 4010 1 5 . 1 1 3 3 ILE H H 3 8.456 8.456 8.136 0.320 19945 4011 1 5 . 1 1 4 4 THR N N 4 115.734 115.734 117.884 -2.150 19945 4012 1 5 . 1 1 4 4 THR HA H 4 5.124 5.124 5.219 -0.095 19945 4013 1 5 . 1 1 4 4 THR C C 4 172.410 172.410 173.588 -1.178 19945 4014 1 5 . 1 1 4 4 THR CA C 4 61.724 61.724 61.370 0.354 19945 4015 1 5 . 1 1 4 4 THR CB C 4 70.059 70.059 71.086 -1.027 19945 4016 1 5 . 1 1 4 4 THR H H 4 8.244 8.244 8.186 0.058 19945 4017 1 5 . 1 1 5 5 GLY N N 5 116.016 116.016 111.531 4.485 19945 4018 1 5 . 1 1 5 5 GLY C C 5 171.077 171.077 172.262 -1.185 19945 4019 1 5 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.198 0.311 19945 4020 1 5 . 1 1 5 5 GLY H H 5 8.554 8.554 8.859 -0.305 19945 4021 1 5 . 1 1 6 6 ILE N N 6 126.504 126.504 126.925 -0.421 19945 4022 1 5 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.931 0.520 19945 4023 1 5 . 1 1 6 6 ILE C C 6 175.245 175.245 174.953 0.292 19945 4024 1 5 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.630 -0.712 19945 4025 1 5 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.972 0.236 19945 4026 1 5 . 1 1 6 6 ILE H H 6 8.719 8.719 8.984 -0.265 19945 4027 1 5 . 1 1 7 7 PHE N N 7 127.559 127.559 126.921 0.638 19945 4028 1 5 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.076 0.537 19945 4029 1 5 . 1 1 7 7 PHE C C 7 174.634 174.634 175.199 -0.565 19945 4030 1 5 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.959 -1.296 19945 4031 1 5 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.023 1.665 19945 4032 1 5 . 1 1 7 7 PHE H H 7 9.609 9.609 9.441 0.168 19945 4033 1 5 . 1 1 8 8 PHE N N 8 120.006 120.006 120.981 -0.975 19945 4034 1 5 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.379 0.845 19945 4035 1 5 . 1 1 8 8 PHE C C 8 171.212 171.212 174.167 -2.955 19945 4036 1 5 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.041 -0.362 19945 4037 1 5 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.155 1.366 19945 4038 1 5 . 1 1 8 8 PHE H H 8 8.545 8.545 8.811 -0.266 19945 4039 1 5 . 1 1 9 9 GLY N N 9 109.650 109.650 110.065 -0.415 19945 4040 1 5 . 1 1 9 9 GLY C C 9 172.512 172.512 172.668 -0.156 19945 4041 1 5 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.544 0.774 19945 4042 1 5 . 1 1 9 9 GLY H H 9 7.701 7.701 7.645 0.056 19945 4043 1 5 . 1 1 10 10 SER N N 10 115.953 115.953 114.883 1.070 19945 4044 1 5 . 1 1 10 10 SER HA H 10 5.001 5.001 4.639 0.362 19945 4045 1 5 . 1 1 10 10 SER C C 10 173.439 173.439 172.671 0.768 19945 4046 1 5 . 1 1 10 10 SER CA C 10 58.308 58.308 58.197 0.111 19945 4047 1 5 . 1 1 10 10 SER CB C 10 66.423 66.423 66.367 0.056 19945 4048 1 5 . 1 1 10 10 SER H H 10 8.634 8.634 7.817 0.817 19945 4049 1 5 . 1 1 11 11 ASP N N 11 104.000 104.000 121.847 -17.847 19945 4050 1 5 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.726 0.248 19945 4051 1 5 . 1 1 11 11 ASP C C 11 179.108 179.108 176.760 2.348 19945 4052 1 5 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.217 0.332 19945 4053 1 5 . 1 1 11 11 ASP CB C 11 40.100 40.100 40.775 -0.675 19945 4054 1 5 . 1 1 11 11 ASP H H 11 11.201 11.201 8.574 2.627 19945 4055 1 5 . 1 1 12 12 THR N N 12 112.000 112.000 112.093 -0.093 19945 4056 1 5 . 1 1 12 12 THR HA H 12 4.804 4.804 4.460 0.344 19945 4057 1 5 . 1 1 12 12 THR C C 12 175.080 175.080 175.078 0.002 19945 4058 1 5 . 1 1 12 12 THR CA C 12 60.237 60.237 61.577 -1.340 19945 4059 1 5 . 1 1 12 12 THR CB C 12 68.567 68.567 69.552 -0.985 19945 4060 1 5 . 1 1 12 12 THR H H 12 9.311 9.311 8.047 1.264 19945 4061 1 5 . 1 1 13 13 GLY N N 13 112.221 112.221 110.068 2.153 19945 4062 1 5 . 1 1 13 13 GLY C C 13 176.690 176.690 175.745 0.945 19945 4063 1 5 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.789 0.511 19945 4064 1 5 . 1 1 13 13 GLY H H 13 8.000 8.000 8.171 -0.171 19945 4065 1 5 . 1 1 14 14 ASN N N 14 128.520 128.520 118.686 9.834 19945 4066 1 5 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.421 0.205 19945 4067 1 5 . 1 1 14 14 ASN C C 14 178.888 178.888 176.723 2.165 19945 4068 1 5 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.165 1.899 19945 4069 1 5 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.445 -1.611 19945 4070 1 5 . 1 1 14 14 ASN H H 14 11.112 11.112 8.548 2.564 19945 4071 1 5 . 1 1 15 15 THR N N 15 122.550 122.550 116.586 5.964 19945 4072 1 5 . 1 1 15 15 THR HA H 15 4.369 4.369 4.028 0.341 19945 4073 1 5 . 1 1 15 15 THR C C 15 176.786 176.786 175.571 1.215 19945 4074 1 5 . 1 1 15 15 THR CA C 15 67.325 67.325 65.742 1.583 19945 4075 1 5 . 1 1 15 15 THR CB C 15 67.961 67.961 68.145 -0.184 19945 4076 1 5 . 1 1 15 15 THR H H 15 11.327 11.327 7.737 3.590 19945 4077 1 5 . 1 1 16 16 GLU N N 16 120.578 120.578 122.125 -1.547 19945 4078 1 5 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.465 -0.178 19945 4079 1 5 . 1 1 16 16 GLU C C 16 176.642 176.642 177.869 -1.227 19945 4080 1 5 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.523 -0.454 19945 4081 1 5 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.035 -0.658 19945 4082 1 5 . 1 1 16 16 GLU H H 16 6.590 6.590 7.896 -1.306 19945 4083 1 5 . 1 1 17 17 ASN N N 17 118.000 118.000 117.994 0.006 19945 4084 1 5 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.418 -0.108 19945 4085 1 5 . 1 1 17 17 ASN C C 17 178.255 178.255 177.638 0.617 19945 4086 1 5 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.904 0.397 19945 4087 1 5 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.965 -0.327 19945 4088 1 5 . 1 1 17 17 ASN H H 17 7.705 7.705 7.572 0.133 19945 4089 1 5 . 1 1 18 18 ILE N N 18 119.430 119.430 120.071 -0.641 19945 4090 1 5 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.604 0.048 19945 4091 1 5 . 1 1 18 18 ILE C C 18 177.564 177.564 177.800 -0.236 19945 4092 1 5 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.102 -0.602 19945 4093 1 5 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.369 -1.818 19945 4094 1 5 . 1 1 18 18 ILE H H 18 8.141 8.141 7.194 0.947 19945 4095 1 5 . 1 1 19 19 ALA N N 19 123.208 123.208 122.571 0.637 19945 4096 1 5 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.835 -0.166 19945 4097 1 5 . 1 1 19 19 ALA C C 19 178.888 178.888 179.604 -0.716 19945 4098 1 5 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.465 0.190 19945 4099 1 5 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.067 0.748 19945 4100 1 5 . 1 1 19 19 ALA H H 19 8.304 8.304 8.321 -0.017 19945 4101 1 5 . 1 1 20 20 LYS N N 20 116.460 116.460 119.008 -2.548 19945 4102 1 5 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.970 -0.154 19945 4103 1 5 . 1 1 20 20 LYS C C 20 179.666 179.666 179.151 0.515 19945 4104 1 5 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.443 0.379 19945 4105 1 5 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.346 -0.248 19945 4106 1 5 . 1 1 20 20 LYS H H 20 7.722 7.722 8.083 -0.361 19945 4107 1 5 . 1 1 21 21 MET N N 21 123.880 123.880 118.632 5.248 19945 4108 1 5 . 1 1 21 21 MET HA H 21 3.946 3.946 4.016 -0.070 19945 4109 1 5 . 1 1 21 21 MET C C 21 179.435 179.435 178.411 1.024 19945 4110 1 5 . 1 1 21 21 MET CA C 21 59.662 59.662 59.550 0.112 19945 4111 1 5 . 1 1 21 21 MET CB C 21 34.262 34.262 32.517 1.745 19945 4112 1 5 . 1 1 21 21 MET H H 21 8.336 8.336 8.141 0.195 19945 4113 1 5 . 1 1 22 22 ILE N N 22 122.065 122.065 120.605 1.460 19945 4114 1 5 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.505 -0.260 19945 4115 1 5 . 1 1 22 22 ILE C C 22 177.592 177.592 177.589 0.003 19945 4116 1 5 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.960 -0.236 19945 4117 1 5 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.417 0.260 19945 4118 1 5 . 1 1 22 22 ILE H H 22 8.500 8.500 8.141 0.359 19945 4119 1 5 . 1 1 23 23 GLN N N 23 119.264 119.264 119.598 -0.334 19945 4120 1 5 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.872 -0.428 19945 4121 1 5 . 1 1 23 23 GLN C C 23 177.017 177.017 178.421 -1.404 19945 4122 1 5 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.184 0.507 19945 4123 1 5 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.673 -0.825 19945 4124 1 5 . 1 1 23 23 GLN H H 23 7.985 7.985 8.208 -0.223 19945 4125 1 5 . 1 1 24 24 LYS N N 24 118.970 118.970 118.417 0.553 19945 4126 1 5 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.051 -0.131 19945 4127 1 5 . 1 1 24 24 LYS C C 24 178.427 178.427 179.451 -1.024 19945 4128 1 5 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.521 0.639 19945 4129 1 5 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.924 0.440 19945 4130 1 5 . 1 1 24 24 LYS H H 24 7.942 7.942 8.137 -0.195 19945 4131 1 5 . 1 1 25 25 GLN N N 25 118.400 118.400 117.877 0.523 19945 4132 1 5 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.132 -0.129 19945 4133 1 5 . 1 1 25 25 GLN C C 25 178.226 178.226 178.189 0.037 19945 4134 1 5 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.255 -0.172 19945 4135 1 5 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.093 -0.183 19945 4136 1 5 . 1 1 25 25 GLN H H 25 7.636 7.636 7.905 -0.269 19945 4137 1 5 . 1 1 26 26 LEU N N 26 119.080 119.080 113.068 6.012 19945 4138 1 5 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.600 -0.581 19945 4139 1 5 . 1 1 26 26 LEU C C 26 177.247 177.247 177.190 0.057 19945 4140 1 5 . 1 1 26 26 LEU CA C 26 57.069 57.069 54.457 2.612 19945 4141 1 5 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.422 0.727 19945 4142 1 5 . 1 1 26 26 LEU H H 26 8.098 8.098 7.788 0.310 19945 4143 1 5 . 1 1 27 27 GLY N N 27 107.750 107.750 108.208 -0.458 19945 4144 1 5 . 1 1 27 27 GLY C C 27 175.231 175.231 175.210 0.021 19945 4145 1 5 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.678 -0.618 19945 4146 1 5 . 1 1 27 27 GLY H H 27 8.050 8.050 7.900 0.150 19945 4147 1 5 . 1 1 28 28 LYS N N 28 125.187 125.187 121.562 3.625 19945 4148 1 5 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.235 -0.012 19945 4149 1 5 . 1 1 28 28 LYS C C 28 176.372 176.372 176.882 -0.510 19945 4150 1 5 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.737 1.192 19945 4151 1 5 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.246 -0.148 19945 4152 1 5 . 1 1 28 28 LYS H H 28 8.786 8.786 8.652 0.134 19945 4153 1 5 . 1 1 29 29 ASP N N 29 115.960 115.960 119.328 -3.368 19945 4154 1 5 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.522 0.053 19945 4155 1 5 . 1 1 29 29 ASP C C 29 176.437 176.437 177.561 -1.124 19945 4156 1 5 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.428 -1.218 19945 4157 1 5 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.986 -1.184 19945 4158 1 5 . 1 1 29 29 ASP H H 29 8.919 8.919 8.154 0.765 19945 4159 1 5 . 1 1 30 30 VAL N N 30 120.609 120.609 118.170 2.439 19945 4160 1 5 . 1 1 30 30 VAL HA H 30 4.056 4.056 3.881 0.175 19945 4161 1 5 . 1 1 30 30 VAL C C 30 174.656 174.656 174.932 -0.276 19945 4162 1 5 . 1 1 30 30 VAL CA C 30 63.720 63.720 64.222 -0.502 19945 4163 1 5 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.522 0.316 19945 4164 1 5 . 1 1 30 30 VAL H H 30 7.573 7.573 7.423 0.150 19945 4165 1 5 . 1 1 31 31 ALA N N 31 123.100 123.100 118.230 4.870 19945 4166 1 5 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.222 0.309 19945 4167 1 5 . 1 1 31 31 ALA C C 31 175.174 175.174 174.713 0.461 19945 4168 1 5 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.137 0.025 19945 4169 1 5 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.660 0.671 19945 4170 1 5 . 1 1 31 31 ALA H H 31 7.951 7.951 7.821 0.130 19945 4171 1 5 . 1 1 32 32 ASP N N 32 121.576 121.576 120.517 1.059 19945 4172 1 5 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.028 -0.159 19945 4173 1 5 . 1 1 32 32 ASP C C 32 174.771 174.771 174.576 0.195 19945 4174 1 5 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.546 -0.134 19945 4175 1 5 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.576 -0.789 19945 4176 1 5 . 1 1 32 32 ASP H H 32 8.175 8.175 8.604 -0.429 19945 4177 1 5 . 1 1 33 33 VAL N N 33 120.428 120.428 124.213 -3.785 19945 4178 1 5 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.611 0.046 19945 4179 1 5 . 1 1 33 33 VAL C C 33 174.252 174.252 175.263 -1.011 19945 4180 1 5 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.742 -1.439 19945 4181 1 5 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.545 1.331 19945 4182 1 5 . 1 1 33 33 VAL H H 33 8.397 8.397 8.539 -0.142 19945 4183 1 5 . 1 1 34 34 HIS N N 34 125.285 125.285 125.786 -0.501 19945 4184 1 5 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.804 -0.251 19945 4185 1 5 . 1 1 34 34 HIS C C 34 171.920 171.920 172.548 -0.628 19945 4186 1 5 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.076 -1.505 19945 4187 1 5 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.214 -0.794 19945 4188 1 5 . 1 1 34 34 HIS H H 34 8.945 8.945 9.259 -0.314 19945 4189 1 5 . 1 1 35 35 ASP N N 35 124.120 124.120 120.184 3.936 19945 4190 1 5 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.912 -1.615 19945 4191 1 5 . 1 1 35 35 ASP C C 35 179.780 179.780 176.163 3.617 19945 4192 1 5 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.837 -1.081 19945 4193 1 5 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.746 -1.350 19945 4194 1 5 . 1 1 35 35 ASP H H 35 8.589 8.589 8.806 -0.217 19945 4195 1 5 . 1 1 36 36 ILE N N 36 106.681 106.681 127.101 -20.420 19945 4196 1 5 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.366 0.188 19945 4197 1 5 . 1 1 36 36 ILE C C 36 175.404 175.404 176.882 -1.478 19945 4198 1 5 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.552 -3.202 19945 4199 1 5 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.106 2.165 19945 4200 1 5 . 1 1 36 36 ILE H H 36 9.705 9.705 8.848 0.857 19945 4201 1 5 . 1 1 37 37 ALA N N 37 123.095 123.095 121.197 1.898 19945 4202 1 5 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.068 0.021 19945 4203 1 5 . 1 1 37 37 ALA C C 37 178.140 178.140 177.980 0.160 19945 4204 1 5 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.361 -0.745 19945 4205 1 5 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.784 0.562 19945 4206 1 5 . 1 1 37 37 ALA H H 37 8.261 8.261 7.818 0.443 19945 4207 1 5 . 1 1 38 38 LYS N N 38 115.312 115.312 115.444 -0.132 19945 4208 1 5 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.390 0.221 19945 4209 1 5 . 1 1 38 38 LYS C C 38 176.498 176.498 176.760 -0.262 19945 4210 1 5 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.181 -2.034 19945 4211 1 5 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.927 0.499 19945 4212 1 5 . 1 1 38 38 LYS H H 38 7.437 7.437 7.637 -0.200 19945 4213 1 5 . 1 1 39 39 SER N N 39 115.623 115.623 116.507 -0.884 19945 4214 1 5 . 1 1 39 39 SER HA H 39 5.019 5.019 4.458 0.561 19945 4215 1 5 . 1 1 39 39 SER C C 39 171.402 171.402 173.812 -2.410 19945 4216 1 5 . 1 1 39 39 SER CA C 39 58.929 58.929 59.292 -0.363 19945 4217 1 5 . 1 1 39 39 SER CB C 39 65.538 65.538 64.387 1.151 19945 4218 1 5 . 1 1 39 39 SER H H 39 7.051 7.051 7.433 -0.382 19945 4219 1 5 . 1 1 40 40 SER N N 40 118.860 118.860 115.163 3.697 19945 4220 1 5 . 1 1 40 40 SER HA H 40 5.025 5.025 4.893 0.132 19945 4221 1 5 . 1 1 40 40 SER C C 40 174.741 174.741 174.570 0.171 19945 4222 1 5 . 1 1 40 40 SER CA C 40 56.003 56.003 57.285 -1.282 19945 4223 1 5 . 1 1 40 40 SER CB C 40 67.416 67.416 66.622 0.794 19945 4224 1 5 . 1 1 40 40 SER H H 40 9.377 9.377 8.358 1.019 19945 4225 1 5 . 1 1 41 41 LYS N N 41 122.504 122.504 123.032 -0.528 19945 4226 1 5 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.067 -0.329 19945 4227 1 5 . 1 1 41 41 LYS C C 41 177.391 177.391 178.385 -0.994 19945 4228 1 5 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.673 1.300 19945 4229 1 5 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.540 0.767 19945 4230 1 5 . 1 1 41 41 LYS H H 41 9.098 9.098 8.835 0.263 19945 4231 1 5 . 1 1 42 42 GLU N N 42 115.836 115.836 115.258 0.578 19945 4232 1 5 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.171 -0.043 19945 4233 1 5 . 1 1 42 42 GLU C C 42 178.773 178.773 177.424 1.349 19945 4234 1 5 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.831 2.161 19945 4235 1 5 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.377 -0.733 19945 4236 1 5 . 1 1 42 42 GLU H H 42 8.839 8.839 8.529 0.310 19945 4237 1 5 . 1 1 43 43 ASP N N 43 119.589 119.589 120.476 -0.887 19945 4238 1 5 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.529 -0.043 19945 4239 1 5 . 1 1 43 43 ASP C C 43 177.564 177.564 178.603 -1.039 19945 4240 1 5 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.599 1.002 19945 4241 1 5 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.991 -0.185 19945 4242 1 5 . 1 1 43 43 ASP H H 43 7.794 7.794 7.741 0.053 19945 4243 1 5 . 1 1 44 44 LEU N N 44 118.745 118.745 120.317 -1.572 19945 4244 1 5 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.282 -0.311 19945 4245 1 5 . 1 1 44 44 LEU C C 44 178.600 178.600 179.035 -0.435 19945 4246 1 5 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.276 1.606 19945 4247 1 5 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.465 1.258 19945 4248 1 5 . 1 1 44 44 LEU H H 44 6.854 6.854 7.749 -0.895 19945 4249 1 5 . 1 1 45 45 GLU N N 45 114.280 114.280 116.859 -2.579 19945 4250 1 5 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.100 -0.473 19945 4251 1 5 . 1 1 45 45 GLU C C 45 176.988 176.988 177.935 -0.947 19945 4252 1 5 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.243 0.433 19945 4253 1 5 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.069 1.169 19945 4254 1 5 . 1 1 45 45 GLU H H 45 7.571 7.571 8.086 -0.515 19945 4255 1 5 . 1 1 46 46 ALA N N 46 118.860 118.860 121.700 -2.840 19945 4256 1 5 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.084 -0.046 19945 4257 1 5 . 1 1 46 46 ALA C C 46 176.901 176.901 177.903 -1.002 19945 4258 1 5 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.194 0.125 19945 4259 1 5 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.824 0.257 19945 4260 1 5 . 1 1 46 46 ALA H H 46 7.026 7.026 7.294 -0.268 19945 4261 1 5 . 1 1 47 47 TYR N N 47 115.674 115.674 116.446 -0.772 19945 4262 1 5 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.494 0.237 19945 4263 1 5 . 1 1 47 47 TYR C C 47 175.807 175.807 175.826 -0.019 19945 4264 1 5 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.437 -1.830 19945 4265 1 5 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.684 1.978 19945 4266 1 5 . 1 1 47 47 TYR H H 47 7.277 7.277 7.447 -0.170 19945 4267 1 5 . 1 1 48 48 ASP N N 48 121.598 121.598 120.730 0.868 19945 4268 1 5 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.943 -0.035 19945 4269 1 5 . 1 1 48 48 ASP C C 48 175.030 175.030 175.308 -0.278 19945 4270 1 5 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.803 0.405 19945 4271 1 5 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.821 -1.175 19945 4272 1 5 . 1 1 48 48 ASP H H 48 9.546 9.546 8.560 0.986 19945 4273 1 5 . 1 1 49 49 ILE N N 49 119.608 119.608 120.192 -0.584 19945 4274 1 5 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.150 0.144 19945 4275 1 5 . 1 1 49 49 ILE C C 49 175.059 175.059 174.415 0.644 19945 4276 1 5 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.273 0.257 19945 4277 1 5 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.821 -0.753 19945 4278 1 5 . 1 1 49 49 ILE H H 49 7.331 7.331 7.913 -0.582 19945 4279 1 5 . 1 1 50 50 LEU N N 50 127.901 127.901 127.372 0.529 19945 4280 1 5 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.230 0.430 19945 4281 1 5 . 1 1 50 50 LEU C C 50 174.598 174.598 175.186 -0.588 19945 4282 1 5 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.403 -0.584 19945 4283 1 5 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.275 4.763 19945 4284 1 5 . 1 1 50 50 LEU H H 50 9.095 9.095 9.125 -0.030 19945 4285 1 5 . 1 1 51 51 LEU N N 51 123.440 123.440 126.277 -2.837 19945 4286 1 5 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.423 0.609 19945 4287 1 5 . 1 1 51 51 LEU C C 51 175.894 175.894 175.533 0.361 19945 4288 1 5 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.186 -0.875 19945 4289 1 5 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.092 0.226 19945 4290 1 5 . 1 1 51 51 LEU H H 51 9.275 9.275 9.474 -0.199 19945 4291 1 5 . 1 1 52 52 LEU N N 52 123.320 123.320 125.299 -1.979 19945 4292 1 5 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.321 0.335 19945 4293 1 5 . 1 1 52 52 LEU C C 52 173.763 173.763 175.863 -2.100 19945 4294 1 5 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.523 -0.646 19945 4295 1 5 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.744 -2.258 19945 4296 1 5 . 1 1 52 52 LEU H H 52 9.024 9.024 9.097 -0.073 19945 4297 1 5 . 1 1 53 53 GLY N N 53 110.739 110.739 111.761 -1.022 19945 4298 1 5 . 1 1 53 53 GLY C C 53 174.530 174.530 171.398 3.132 19945 4299 1 5 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.869 0.120 19945 4300 1 5 . 1 1 53 53 GLY H H 53 9.283 9.283 9.234 0.049 19945 4301 1 5 . 1 1 54 54 ILE N N 54 126.032 126.032 123.705 2.327 19945 4302 1 5 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.157 1.049 19945 4303 1 5 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.823 -0.816 19945 4304 1 5 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.963 1.027 19945 4305 1 5 . 1 1 54 54 ILE H H 54 9.136 9.136 8.363 0.773 19945 4306 1 5 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.783 0.534 19945 4307 1 5 . 1 1 55 55 PRO C C 55 174.771 174.771 176.369 -1.598 19945 4308 1 5 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.990 -0.242 19945 4309 1 5 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.477 0.537 19945 4310 1 5 . 1 1 56 56 THR N N 56 113.710 113.710 119.127 -5.417 19945 4311 1 5 . 1 1 56 56 THR HA H 56 4.582 4.582 4.848 -0.266 19945 4312 1 5 . 1 1 56 56 THR C C 56 171.719 171.719 173.873 -2.154 19945 4313 1 5 . 1 1 56 56 THR CA C 56 62.383 62.383 63.257 -0.874 19945 4314 1 5 . 1 1 56 56 THR CB C 56 69.692 69.692 70.439 -0.747 19945 4315 1 5 . 1 1 56 56 THR H H 56 6.599 6.599 7.942 -1.343 19945 4316 1 5 . 1 1 57 57 TRP N N 57 130.050 130.050 125.440 4.610 19945 4317 1 5 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.383 -1.757 19945 4318 1 5 . 1 1 57 57 TRP C C 57 172.611 172.611 175.130 -2.519 19945 4319 1 5 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.268 0.007 19945 4320 1 5 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.360 2.394 19945 4321 1 5 . 1 1 57 57 TRP H H 57 8.865 8.865 8.760 0.105 19945 4322 1 5 . 1 1 58 58 TYR N N 58 112.793 112.793 118.147 -5.354 19945 4323 1 5 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.067 0.149 19945 4324 1 5 . 1 1 58 58 TYR C C 58 173.619 173.619 174.657 -1.038 19945 4325 1 5 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.120 1.080 19945 4326 1 5 . 1 1 58 58 TYR CB C 58 36.200 36.200 35.662 0.538 19945 4327 1 5 . 1 1 58 58 TYR H H 58 5.730 5.730 8.351 -2.621 19945 4328 1 5 . 1 1 59 59 TYR N N 59 112.220 112.220 115.669 -3.449 19945 4329 1 5 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.890 -0.495 19945 4330 1 5 . 1 1 59 59 TYR C C 59 175.865 175.865 175.390 0.475 19945 4331 1 5 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.736 1.724 19945 4332 1 5 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.534 -1.924 19945 4333 1 5 . 1 1 59 59 TYR H H 59 7.661 7.661 7.553 0.108 19945 4334 1 5 . 1 1 60 60 GLY N N 60 104.550 104.550 105.107 -0.557 19945 4335 1 5 . 1 1 60 60 GLY C C 60 174.483 174.483 174.491 -0.008 19945 4336 1 5 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.287 0.891 19945 4337 1 5 . 1 1 60 60 GLY H H 60 8.142 8.142 8.473 -0.331 19945 4338 1 5 . 1 1 61 61 GLU N N 61 120.991 120.991 118.798 2.193 19945 4339 1 5 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.908 -0.470 19945 4340 1 5 . 1 1 61 61 GLU C C 61 175.548 175.548 175.158 0.390 19945 4341 1 5 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.439 1.037 19945 4342 1 5 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.199 -2.699 19945 4343 1 5 . 1 1 61 61 GLU H H 61 8.307 8.307 8.259 0.048 19945 4344 1 5 . 1 1 62 62 ALA N N 62 122.750 122.750 122.812 -0.062 19945 4345 1 5 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.751 -0.545 19945 4346 1 5 . 1 1 62 62 ALA C C 62 176.671 176.671 177.350 -0.679 19945 4347 1 5 . 1 1 62 62 ALA CA C 62 51.810 51.810 50.968 0.843 19945 4348 1 5 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.889 0.317 19945 4349 1 5 . 1 1 62 62 ALA H H 62 8.722 8.722 8.519 0.203 19945 4350 1 5 . 1 1 63 63 GLN N N 63 120.579 120.579 118.025 2.554 19945 4351 1 5 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.360 -0.474 19945 4352 1 5 . 1 1 63 63 GLN C C 63 176.757 176.757 177.430 -0.673 19945 4353 1 5 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.490 2.119 19945 4354 1 5 . 1 1 63 63 GLN H H 63 6.302 6.302 8.702 -2.400 19945 4355 1 5 . 1 1 64 64 CYS N N 64 125.487 125.487 120.387 5.100 19945 4356 1 5 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.113 -0.002 19945 4357 1 5 . 1 1 64 64 CYS C C 64 174.972 174.972 176.291 -1.319 19945 4358 1 5 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.152 -0.663 19945 4359 1 5 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.245 0.337 19945 4360 1 5 . 1 1 64 64 CYS H H 64 9.091 9.091 8.807 0.284 19945 4361 1 5 . 1 1 65 65 ASP N N 65 120.298 120.298 119.191 1.107 19945 4362 1 5 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.369 0.030 19945 4363 1 5 . 1 1 65 65 ASP C C 65 179.000 179.000 176.980 2.020 19945 4364 1 5 . 1 1 65 65 ASP CA C 65 58.132 58.132 56.380 1.752 19945 4365 1 5 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.016 1.207 19945 4366 1 5 . 1 1 65 65 ASP H H 65 7.093 7.093 8.459 -1.366 19945 4367 1 5 . 1 1 66 66 TRP N N 66 122.608 122.608 121.263 1.345 19945 4368 1 5 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.257 -0.041 19945 4369 1 5 . 1 1 66 66 TRP C C 66 176.930 176.930 178.304 -1.374 19945 4370 1 5 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.070 1.453 19945 4371 1 5 . 1 1 66 66 TRP CB C 66 29.961 29.961 30.316 -0.355 19945 4372 1 5 . 1 1 66 66 TRP H H 66 7.394 7.394 7.546 -0.152 19945 4373 1 5 . 1 1 67 67 ASP N N 67 118.860 118.860 120.256 -1.396 19945 4374 1 5 . 1 1 67 67 ASP HA H 67 3.525 3.525 4.029 -0.504 19945 4375 1 5 . 1 1 67 67 ASP C C 67 179.579 179.579 178.335 1.244 19945 4376 1 5 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.649 -0.308 19945 4377 1 5 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.911 1.488 19945 4378 1 5 . 1 1 67 67 ASP H H 67 8.087 8.087 8.509 -0.422 19945 4379 1 5 . 1 1 68 68 ASP N N 68 116.220 116.220 119.408 -3.188 19945 4380 1 5 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.386 -0.030 19945 4381 1 5 . 1 1 68 68 ASP C C 68 176.873 176.873 177.566 -0.693 19945 4382 1 5 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.519 -0.264 19945 4383 1 5 . 1 1 68 68 ASP CB C 68 40.807 40.807 40.957 -0.150 19945 4384 1 5 . 1 1 68 68 ASP H H 68 8.056 8.056 8.243 -0.187 19945 4385 1 5 . 1 1 69 69 PHE N N 69 120.493 120.493 118.331 2.162 19945 4386 1 5 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.246 0.117 19945 4387 1 5 . 1 1 69 69 PHE C C 69 177.103 177.103 175.967 1.136 19945 4388 1 5 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.225 -0.296 19945 4389 1 5 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.190 2.340 19945 4390 1 5 . 1 1 69 69 PHE H H 69 7.659 7.659 7.397 0.262 19945 4391 1 5 . 1 1 70 70 PHE N N 70 122.293 122.293 119.575 2.718 19945 4392 1 5 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.276 0.742 19945 4393 1 5 . 1 1 70 70 PHE C C 70 174.396 174.396 174.695 -0.299 19945 4394 1 5 . 1 1 70 70 PHE CA C 70 59.123 59.123 62.738 -3.615 19945 4395 1 5 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.561 -0.806 19945 4396 1 5 . 1 1 70 70 PHE H H 70 8.197 8.197 7.590 0.607 19945 4397 1 5 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.526 -0.128 19945 4398 1 5 . 1 1 71 71 PRO C C 71 179.118 179.118 177.310 1.808 19945 4399 1 5 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.713 1.654 19945 4400 1 5 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.047 -0.117 19945 4401 1 5 . 1 1 72 72 THR N N 72 114.461 114.461 113.547 0.914 19945 4402 1 5 . 1 1 72 72 THR HA H 72 3.816 3.816 4.143 -0.327 19945 4403 1 5 . 1 1 72 72 THR C C 72 176.498 176.498 176.376 0.122 19945 4404 1 5 . 1 1 72 72 THR CA C 72 65.803 65.803 64.299 1.504 19945 4405 1 5 . 1 1 72 72 THR CB C 72 67.203 67.203 69.066 -1.863 19945 4406 1 5 . 1 1 72 72 THR H H 72 7.534 7.534 7.474 0.060 19945 4407 1 5 . 1 1 73 73 LEU N N 73 124.812 124.812 123.830 0.982 19945 4408 1 5 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.061 0.029 19945 4409 1 5 . 1 1 73 73 LEU C C 73 177.996 177.996 177.972 0.024 19945 4410 1 5 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.183 -0.032 19945 4411 1 5 . 1 1 73 73 LEU CB C 73 43.786 43.786 41.965 1.821 19945 4412 1 5 . 1 1 73 73 LEU H H 73 8.123 8.123 8.220 -0.097 19945 4413 1 5 . 1 1 74 74 GLU N N 74 111.877 111.877 116.600 -4.723 19945 4414 1 5 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.145 -0.320 19945 4415 1 5 . 1 1 74 74 GLU C C 74 176.930 176.930 177.563 -0.633 19945 4416 1 5 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.562 -0.887 19945 4417 1 5 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.877 1.144 19945 4418 1 5 . 1 1 74 74 GLU H H 74 7.933 7.933 8.382 -0.449 19945 4419 1 5 . 1 1 75 75 GLU N N 75 116.571 116.571 117.627 -1.056 19945 4420 1 5 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.328 0.019 19945 4421 1 5 . 1 1 75 75 GLU C C 75 177.045 177.045 176.640 0.405 19945 4422 1 5 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.835 0.191 19945 4423 1 5 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.500 0.009 19945 4424 1 5 . 1 1 75 75 GLU H H 75 7.659 7.659 7.886 -0.227 19945 4425 1 5 . 1 1 76 76 ILE N N 76 123.080 123.080 121.165 1.915 19945 4426 1 5 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.871 -0.094 19945 4427 1 5 . 1 1 76 76 ILE C C 76 174.656 174.656 175.012 -0.356 19945 4428 1 5 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.641 0.433 19945 4429 1 5 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.815 0.191 19945 4430 1 5 . 1 1 76 76 ILE H H 76 7.468 7.468 7.367 0.101 19945 4431 1 5 . 1 1 77 77 ASP N N 77 126.540 126.540 124.585 1.955 19945 4432 1 5 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.517 0.296 19945 4433 1 5 . 1 1 77 77 ASP C C 77 176.614 176.614 174.813 1.801 19945 4434 1 5 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.657 -0.516 19945 4435 1 5 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.105 -1.240 19945 4436 1 5 . 1 1 77 77 ASP H H 77 8.605 8.605 8.648 -0.043 19945 4437 1 5 . 1 1 78 78 PHE N N 78 124.583 124.583 122.210 2.373 19945 4438 1 5 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.696 -0.536 19945 4439 1 5 . 1 1 78 78 PHE C C 78 175.347 175.347 175.302 0.045 19945 4440 1 5 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.523 2.619 19945 4441 1 5 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.964 0.204 19945 4442 1 5 . 1 1 78 78 PHE H H 78 8.053 8.053 7.888 0.165 19945 4443 1 5 . 1 1 79 79 ASN N N 79 121.321 121.321 120.726 0.595 19945 4444 1 5 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.511 0.006 19945 4445 1 5 . 1 1 79 79 ASN C C 79 176.815 176.815 176.633 0.182 19945 4446 1 5 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.294 1.158 19945 4447 1 5 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.214 0.525 19945 4448 1 5 . 1 1 79 79 ASN H H 79 8.695 8.695 8.561 0.134 19945 4449 1 5 . 1 1 80 80 GLY N N 80 114.150 114.150 113.684 0.466 19945 4450 1 5 . 1 1 80 80 GLY C C 80 174.195 174.195 174.474 -0.279 19945 4451 1 5 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.504 0.142 19945 4452 1 5 . 1 1 80 80 GLY H H 80 8.646 8.646 8.687 -0.041 19945 4453 1 5 . 1 1 81 81 LYS N N 81 119.318 119.318 120.831 -1.513 19945 4454 1 5 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.380 0.657 19945 4455 1 5 . 1 1 81 81 LYS C C 81 176.268 176.268 175.988 0.280 19945 4456 1 5 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.827 -0.831 19945 4457 1 5 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.852 0.103 19945 4458 1 5 . 1 1 81 81 LYS H H 81 8.295 8.295 7.840 0.455 19945 4459 1 5 . 1 1 82 82 LEU N N 82 127.000 127.000 123.618 3.382 19945 4460 1 5 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.946 0.284 19945 4461 1 5 . 1 1 82 82 LEU C C 82 175.347 175.347 175.881 -0.534 19945 4462 1 5 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.572 -0.768 19945 4463 1 5 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.286 0.865 19945 4464 1 5 . 1 1 82 82 LEU H H 82 8.407 8.407 8.770 -0.363 19945 4465 1 5 . 1 1 83 83 VAL N N 83 121.665 121.665 121.910 -0.245 19945 4466 1 5 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.332 0.508 19945 4467 1 5 . 1 1 83 83 VAL C C 83 173.417 173.417 174.095 -0.678 19945 4468 1 5 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.193 -0.991 19945 4469 1 5 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.584 0.764 19945 4470 1 5 . 1 1 83 83 VAL H H 83 8.960 8.960 9.103 -0.143 19945 4471 1 5 . 1 1 84 84 ALA N N 84 128.017 128.017 127.958 0.059 19945 4472 1 5 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.528 -0.195 19945 4473 1 5 . 1 1 84 84 ALA C C 84 175.231 175.231 175.655 -0.424 19945 4474 1 5 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.274 0.154 19945 4475 1 5 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.244 0.884 19945 4476 1 5 . 1 1 84 84 ALA H H 84 9.021 9.021 9.057 -0.036 19945 4477 1 5 . 1 1 85 85 LEU N N 85 124.220 124.220 121.835 2.385 19945 4478 1 5 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.588 0.024 19945 4479 1 5 . 1 1 85 85 LEU C C 85 174.454 174.454 176.136 -1.682 19945 4480 1 5 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.173 -0.200 19945 4481 1 5 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.595 1.317 19945 4482 1 5 . 1 1 85 85 LEU H H 85 11.134 11.134 8.914 2.220 19945 4483 1 5 . 1 1 86 86 PHE N N 86 114.461 114.461 116.912 -2.451 19945 4484 1 5 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.280 -0.058 19945 4485 1 5 . 1 1 86 86 PHE C C 86 173.619 173.619 173.924 -0.305 19945 4486 1 5 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.250 -0.572 19945 4487 1 5 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.851 1.129 19945 4488 1 5 . 1 1 86 86 PHE H H 86 8.829 8.829 8.775 0.054 19945 4489 1 5 . 1 1 87 87 GLY N N 87 104.437 104.437 105.597 -1.160 19945 4490 1 5 . 1 1 87 87 GLY C C 87 170.423 170.423 171.503 -1.080 19945 4491 1 5 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.516 0.414 19945 4492 1 5 . 1 1 87 87 GLY H H 87 8.496 8.496 8.740 -0.244 19945 4493 1 5 . 1 1 88 88 CYS N N 88 114.166 114.166 117.461 -3.295 19945 4494 1 5 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.700 1.303 19945 4495 1 5 . 1 1 88 88 CYS C C 88 174.425 174.425 173.571 0.854 19945 4496 1 5 . 1 1 88 88 CYS CA C 88 56.538 56.538 58.410 -1.872 19945 4497 1 5 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.446 -0.145 19945 4498 1 5 . 1 1 88 88 CYS H H 88 5.354 5.354 7.893 -2.539 19945 4499 1 5 . 1 1 89 89 GLY N N 89 109.463 109.463 109.116 0.347 19945 4500 1 5 . 1 1 89 89 GLY C C 89 173.187 173.187 171.717 1.470 19945 4501 1 5 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.717 1.726 19945 4502 1 5 . 1 1 89 89 GLY H H 89 8.404 8.404 8.048 0.356 19945 4503 1 5 . 1 1 90 90 ASP N N 90 123.090 123.090 117.932 5.158 19945 4504 1 5 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.026 0.773 19945 4505 1 5 . 1 1 90 90 ASP C C 90 176.095 176.095 174.851 1.244 19945 4506 1 5 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.166 -0.613 19945 4507 1 5 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.990 -0.735 19945 4508 1 5 . 1 1 90 90 ASP H H 90 8.698 8.698 8.309 0.389 19945 4509 1 5 . 1 1 91 91 GLN N N 91 123.780 123.780 118.422 5.358 19945 4510 1 5 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.138 -0.442 19945 4511 1 5 . 1 1 91 91 GLN C C 91 173.639 173.639 176.226 -2.587 19945 4512 1 5 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.808 1.252 19945 4513 1 5 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.195 0.246 19945 4514 1 5 . 1 1 91 91 GLN H H 91 9.675 9.675 8.528 1.147 19945 4515 1 5 . 1 1 92 92 GLU N N 92 118.631 118.631 120.008 -1.377 19945 4516 1 5 . 1 1 92 92 GLU HA H 92 4.591 4.591 3.985 0.606 19945 4517 1 5 . 1 1 92 92 GLU C C 92 177.247 177.247 177.098 0.149 19945 4518 1 5 . 1 1 92 92 GLU CA C 92 57.336 57.336 59.150 -1.814 19945 4519 1 5 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.786 0.984 19945 4520 1 5 . 1 1 92 92 GLU H H 92 8.396 8.396 8.297 0.099 19945 4521 1 5 . 1 1 93 93 ASP N N 93 120.889 120.889 114.754 6.135 19945 4522 1 5 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.573 -0.291 19945 4523 1 5 . 1 1 93 93 ASP C C 93 175.986 175.986 174.888 1.098 19945 4524 1 5 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.329 1.096 19945 4525 1 5 . 1 1 93 93 ASP CB C 93 40.250 40.250 40.815 -0.565 19945 4526 1 5 . 1 1 93 93 ASP H H 93 7.779 7.779 8.004 -0.225 19945 4527 1 5 . 1 1 94 94 TYR N N 94 117.028 117.028 118.669 -1.641 19945 4528 1 5 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.963 -0.278 19945 4529 1 5 . 1 1 94 94 TYR C C 94 175.519 175.519 176.511 -0.992 19945 4530 1 5 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.621 -0.242 19945 4531 1 5 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.400 -0.558 19945 4532 1 5 . 1 1 94 94 TYR H H 94 6.693 6.693 7.887 -1.194 19945 4533 1 5 . 1 1 95 95 ALA N N 95 121.950 121.950 123.700 -1.750 19945 4534 1 5 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.389 -0.233 19945 4535 1 5 . 1 1 95 95 ALA C C 95 179.723 179.723 178.181 1.542 19945 4536 1 5 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.339 1.585 19945 4537 1 5 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.831 1.724 19945 4538 1 5 . 1 1 95 95 ALA H H 95 6.962 6.962 8.421 -1.459 19945 4539 1 5 . 1 1 96 96 GLU N N 96 115.884 115.884 116.705 -0.821 19945 4540 1 5 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.434 -0.128 19945 4541 1 5 . 1 1 96 96 GLU C C 96 174.684 174.684 176.524 -1.840 19945 4542 1 5 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.302 -0.317 19945 4543 1 5 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.555 -0.379 19945 4544 1 5 . 1 1 96 96 GLU H H 96 9.327 9.327 8.697 0.630 19945 4545 1 5 . 1 1 97 97 TYR N N 97 121.836 121.836 117.110 4.726 19945 4546 1 5 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.879 0.530 19945 4547 1 5 . 1 1 97 97 TYR C C 97 179.953 179.953 174.760 5.193 19945 4548 1 5 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.113 0.329 19945 4549 1 5 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.038 2.254 19945 4550 1 5 . 1 1 97 97 TYR H H 97 8.175 8.175 8.268 -0.093 19945 4551 1 5 . 1 1 98 98 PHE N N 98 124.580 124.580 124.234 0.346 19945 4552 1 5 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.527 0.610 19945 4553 1 5 . 1 1 98 98 PHE C C 98 174.742 174.742 175.609 -0.867 19945 4554 1 5 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.140 -0.477 19945 4555 1 5 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.291 -0.636 19945 4556 1 5 . 1 1 98 98 PHE H H 98 7.889 7.889 7.787 0.102 19945 4557 1 5 . 1 1 99 99 CYS N N 99 120.329 120.329 123.866 -3.537 19945 4558 1 5 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.694 -0.042 19945 4559 1 5 . 1 1 99 99 CYS C C 99 175.087 175.087 175.239 -0.152 19945 4560 1 5 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.092 2.784 19945 4561 1 5 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.201 -1.200 19945 4562 1 5 . 1 1 99 99 CYS H H 99 8.617 8.617 8.770 -0.153 19945 4563 1 5 . 1 1 100 100 ASP N N 100 116.705 116.705 121.608 -4.903 19945 4564 1 5 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.322 -0.377 19945 4565 1 5 . 1 1 100 100 ASP C C 100 178.888 178.888 177.072 1.816 19945 4566 1 5 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.266 0.862 19945 4567 1 5 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.262 0.688 19945 4568 1 5 . 1 1 100 100 ASP H H 100 7.104 7.104 7.819 -0.715 19945 4569 1 5 . 1 1 101 101 ALA N N 101 118.631 118.631 121.429 -2.798 19945 4570 1 5 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.160 -0.009 19945 4571 1 5 . 1 1 101 101 ALA C C 101 178.600 178.600 179.187 -0.587 19945 4572 1 5 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.382 0.015 19945 4573 1 5 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.619 0.191 19945 4574 1 5 . 1 1 101 101 ALA H H 101 8.716 8.716 7.648 1.068 19945 4575 1 5 . 1 1 102 102 LEU N N 102 115.083 115.083 118.986 -3.903 19945 4576 1 5 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.982 -0.368 19945 4577 1 5 . 1 1 102 102 LEU C C 102 179.573 179.573 179.028 0.545 19945 4578 1 5 . 1 1 102 102 LEU CA C 102 57.844 57.844 58.172 -0.328 19945 4579 1 5 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.505 1.209 19945 4580 1 5 . 1 1 102 102 LEU H H 102 7.171 7.171 7.421 -0.250 19945 4581 1 5 . 1 1 103 103 GLY N N 103 104.501 104.501 105.671 -1.170 19945 4582 1 5 . 1 1 103 103 GLY C C 103 175.145 175.145 175.448 -0.303 19945 4583 1 5 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.804 -1.096 19945 4584 1 5 . 1 1 103 103 GLY H H 103 7.365 7.365 8.232 -0.867 19945 4585 1 5 . 1 1 104 104 THR N N 104 118.860 118.860 117.927 0.933 19945 4586 1 5 . 1 1 104 104 THR HA H 104 3.737 3.737 3.822 -0.085 19945 4587 1 5 . 1 1 104 104 THR C C 104 176.354 176.354 176.279 0.075 19945 4588 1 5 . 1 1 104 104 THR CA C 104 65.799 65.799 66.006 -0.207 19945 4589 1 5 . 1 1 104 104 THR CB C 104 67.961 67.961 68.498 -0.537 19945 4590 1 5 . 1 1 104 104 THR H H 104 7.343 7.343 7.274 0.069 19945 4591 1 5 . 1 1 105 105 ILE N N 105 118.663 118.663 121.329 -2.666 19945 4592 1 5 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.716 -0.212 19945 4593 1 5 . 1 1 105 105 ILE C C 105 177.391 177.391 177.230 0.161 19945 4594 1 5 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.386 1.164 19945 4595 1 5 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.487 0.263 19945 4596 1 5 . 1 1 105 105 ILE H H 105 7.589 7.589 7.113 0.476 19945 4597 1 5 . 1 1 106 106 ARG N N 106 126.041 126.041 120.636 5.405 19945 4598 1 5 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.798 -0.218 19945 4599 1 5 . 1 1 106 106 ARG C C 106 176.614 176.614 178.066 -1.452 19945 4600 1 5 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.193 0.074 19945 4601 1 5 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.043 -2.727 19945 4602 1 5 . 1 1 106 106 ARG H H 106 7.307 7.307 8.348 -1.041 19945 4603 1 5 . 1 1 107 107 ASP N N 107 117.480 117.480 116.969 0.511 19945 4604 1 5 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.491 -0.143 19945 4605 1 5 . 1 1 107 107 ASP C C 107 177.189 177.189 177.870 -0.681 19945 4606 1 5 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.758 -0.258 19945 4607 1 5 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.732 -1.058 19945 4608 1 5 . 1 1 107 107 ASP H H 107 8.202 8.202 8.137 0.065 19945 4609 1 5 . 1 1 108 108 ILE N N 108 117.715 117.715 118.413 -0.698 19945 4610 1 5 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.982 -0.126 19945 4611 1 5 . 1 1 108 108 ILE C C 108 178.427 178.427 177.782 0.645 19945 4612 1 5 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.607 0.370 19945 4613 1 5 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.988 0.463 19945 4614 1 5 . 1 1 108 108 ILE H H 108 7.107 7.107 7.444 -0.337 19945 4615 1 5 . 1 1 109 109 ILE N N 109 111.534 111.534 118.335 -6.801 19945 4616 1 5 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.770 -0.035 19945 4617 1 5 . 1 1 109 109 ILE C C 109 177.305 177.305 177.295 0.010 19945 4618 1 5 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.523 0.082 19945 4619 1 5 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.560 -0.149 19945 4620 1 5 . 1 1 109 109 ILE H H 109 7.501 7.501 8.210 -0.709 19945 4621 1 5 . 1 1 110 110 GLU N N 110 127.123 127.123 122.953 4.170 19945 4622 1 5 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.206 0.092 19945 4623 1 5 . 1 1 110 110 GLU C C 110 177.391 177.391 177.041 0.350 19945 4624 1 5 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.658 1.673 19945 4625 1 5 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.407 -0.559 19945 4626 1 5 . 1 1 110 110 GLU H H 110 8.867 8.867 8.446 0.421 19945 4627 1 5 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.359 0.257 19945 4628 1 5 . 1 1 111 111 PRO C C 111 177.417 177.417 177.866 -0.449 19945 4629 1 5 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.856 0.379 19945 4630 1 5 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.205 -0.170 19945 4631 1 5 . 1 1 112 112 ARG N N 112 114.612 114.612 116.686 -2.074 19945 4632 1 5 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.523 0.045 19945 4633 1 5 . 1 1 112 112 ARG C C 112 175.792 175.792 176.667 -0.875 19945 4634 1 5 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.022 0.719 19945 4635 1 5 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.795 0.709 19945 4636 1 5 . 1 1 112 112 ARG H H 112 6.542 6.542 7.573 -1.031 19945 4637 1 5 . 1 1 113 113 GLY N N 113 106.474 106.474 106.645 -0.171 19945 4638 1 5 . 1 1 113 113 GLY C C 113 174.347 174.347 174.007 0.340 19945 4639 1 5 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.319 0.321 19945 4640 1 5 . 1 1 113 113 GLY H H 113 7.845 7.845 8.256 -0.411 19945 4641 1 5 . 1 1 114 114 ALA N N 114 122.280 122.280 123.779 -1.499 19945 4642 1 5 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.884 -0.605 19945 4643 1 5 . 1 1 114 114 ALA C C 114 176.785 176.785 177.548 -0.763 19945 4644 1 5 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.469 0.921 19945 4645 1 5 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.566 0.046 19945 4646 1 5 . 1 1 114 114 ALA H H 114 7.535 7.535 7.965 -0.430 19945 4647 1 5 . 1 1 115 115 THR N N 115 120.909 120.909 119.585 1.324 19945 4648 1 5 . 1 1 115 115 THR HA H 115 4.478 4.478 4.564 -0.086 19945 4649 1 5 . 1 1 115 115 THR C C 115 172.963 172.963 173.468 -0.505 19945 4650 1 5 . 1 1 115 115 THR CA C 115 62.825 62.825 62.492 0.333 19945 4651 1 5 . 1 1 115 115 THR CB C 115 69.501 69.501 69.212 0.289 19945 4652 1 5 . 1 1 115 115 THR H H 115 7.902 7.902 8.785 -0.883 19945 4653 1 5 . 1 1 116 116 ILE N N 116 129.162 129.162 128.939 0.223 19945 4654 1 5 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.083 0.214 19945 4655 1 5 . 1 1 116 116 ILE C C 116 177.056 177.056 176.140 0.916 19945 4656 1 5 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.355 0.168 19945 4657 1 5 . 1 1 116 116 ILE CB C 116 38.300 38.300 38.977 -0.678 19945 4658 1 5 . 1 1 116 116 ILE H H 116 8.784 8.784 8.629 0.155 19945 4659 1 5 . 1 1 117 117 VAL N N 117 122.981 122.981 121.528 1.453 19945 4660 1 5 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.676 -0.082 19945 4661 1 5 . 1 1 117 117 VAL C C 117 175.190 175.190 175.373 -0.183 19945 4662 1 5 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.851 -0.922 19945 4663 1 5 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.938 -2.574 19945 4664 1 5 . 1 1 117 117 VAL H H 117 8.812 8.812 8.788 0.024 19945 4665 1 5 . 1 1 118 118 GLY N N 118 108.558 108.558 106.528 2.030 19945 4666 1 5 . 1 1 118 118 GLY C C 118 175.792 175.792 174.354 1.438 19945 4667 1 5 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.872 1.874 19945 4668 1 5 . 1 1 118 118 GLY H H 118 9.297 9.297 8.768 0.529 19945 4669 1 5 . 1 1 119 119 HIS N N 119 118.402 118.402 118.722 -0.320 19945 4670 1 5 . 1 1 119 119 HIS HA H 119 4.772 4.772 5.015 -0.243 19945 4671 1 5 . 1 1 119 119 HIS C C 119 175.866 175.866 175.236 0.630 19945 4672 1 5 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.452 -1.850 19945 4673 1 5 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.369 -1.513 19945 4674 1 5 . 1 1 119 119 HIS H H 119 8.901 8.901 8.273 0.628 19945 4675 1 5 . 1 1 120 120 TRP N N 120 124.300 124.300 125.009 -0.709 19945 4676 1 5 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.360 0.933 19945 4677 1 5 . 1 1 120 120 TRP C C 120 173.113 173.113 173.846 -0.733 19945 4678 1 5 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.887 -0.383 19945 4679 1 5 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.046 2.240 19945 4680 1 5 . 1 1 120 120 TRP H H 120 8.455 8.455 9.123 -0.668 19945 4681 1 5 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.990 0.607 19945 4682 1 5 . 1 1 121 121 PRO C C 121 176.243 176.243 176.589 -0.346 19945 4683 1 5 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.330 1.120 19945 4684 1 5 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.430 -0.333 19945 4685 1 5 . 1 1 122 122 THR N N 122 110.568 110.568 110.685 -0.117 19945 4686 1 5 . 1 1 122 122 THR HA H 122 4.232 4.232 3.807 0.425 19945 4687 1 5 . 1 1 122 122 THR C C 122 176.424 176.424 175.552 0.872 19945 4688 1 5 . 1 1 122 122 THR CA C 122 62.079 62.079 62.728 -0.649 19945 4689 1 5 . 1 1 122 122 THR CB C 122 68.758 68.758 69.061 -0.303 19945 4690 1 5 . 1 1 122 122 THR H H 122 7.560 7.560 8.037 -0.477 19945 4691 1 5 . 1 1 123 123 ALA N N 123 126.038 126.038 123.843 2.195 19945 4692 1 5 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.916 0.353 19945 4693 1 5 . 1 1 123 123 ALA C C 123 178.862 178.862 177.491 1.371 19945 4694 1 5 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.621 1.261 19945 4695 1 5 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.206 1.078 19945 4696 1 5 . 1 1 123 123 ALA H H 123 7.144 7.144 8.063 -0.919 19945 4697 1 5 . 1 1 124 124 GLY N N 124 111.468 111.468 106.422 5.046 19945 4698 1 5 . 1 1 124 124 GLY C C 124 173.775 173.775 174.706 -0.931 19945 4699 1 5 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.931 0.451 19945 4700 1 5 . 1 1 124 124 GLY H H 124 9.058 9.058 8.125 0.933 19945 4701 1 5 . 1 1 125 125 TYR N N 125 119.088 119.088 118.351 0.737 19945 4702 1 5 . 1 1 125 125 TYR HA H 125 4.942 4.942 3.892 1.050 19945 4703 1 5 . 1 1 125 125 TYR C C 125 175.581 175.581 174.974 0.607 19945 4704 1 5 . 1 1 125 125 TYR CA C 125 56.762 56.762 57.157 -0.395 19945 4705 1 5 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.779 1.771 19945 4706 1 5 . 1 1 125 125 TYR H H 125 8.008 8.008 7.995 0.013 19945 4707 1 5 . 1 1 126 126 HIS N N 126 121.799 121.799 117.104 4.695 19945 4708 1 5 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.147 0.866 19945 4709 1 5 . 1 1 126 126 HIS C C 126 171.969 171.969 173.848 -1.879 19945 4710 1 5 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.578 -0.430 19945 4711 1 5 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.135 -1.748 19945 4712 1 5 . 1 1 126 126 HIS H H 126 9.512 9.512 7.068 2.444 19945 4713 1 5 . 1 1 127 127 PHE N N 127 117.258 117.258 119.364 -2.106 19945 4714 1 5 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.394 0.529 19945 4715 1 5 . 1 1 127 127 PHE C C 127 172.722 172.722 176.626 -3.904 19945 4716 1 5 . 1 1 127 127 PHE CA C 127 55.300 55.300 55.897 -0.597 19945 4717 1 5 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.131 0.623 19945 4718 1 5 . 1 1 127 127 PHE H H 127 7.397 7.397 6.836 0.561 19945 4719 1 5 . 1 1 128 128 GLU N N 128 120.484 120.484 120.334 0.150 19945 4720 1 5 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.220 0.143 19945 4721 1 5 . 1 1 128 128 GLU C C 128 176.033 176.033 176.704 -0.671 19945 4722 1 5 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.053 -0.985 19945 4723 1 5 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.657 1.175 19945 4724 1 5 . 1 1 128 128 GLU H H 128 8.492 8.492 8.646 -0.154 19945 4725 1 5 . 1 1 129 129 ALA N N 129 123.500 123.500 120.306 3.194 19945 4726 1 5 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.774 -0.076 19945 4727 1 5 . 1 1 129 129 ALA C C 129 174.016 174.016 175.212 -1.196 19945 4728 1 5 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.391 0.063 19945 4729 1 5 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.708 0.295 19945 4730 1 5 . 1 1 129 129 ALA H H 129 9.155 9.155 8.324 0.831 19945 4731 1 5 . 1 1 130 130 SER N N 130 110.807 110.807 118.553 -7.746 19945 4732 1 5 . 1 1 130 130 SER HA H 130 4.942 4.942 5.132 -0.190 19945 4733 1 5 . 1 1 130 130 SER C C 130 176.665 176.665 175.001 1.664 19945 4734 1 5 . 1 1 130 130 SER CA C 130 57.471 57.471 56.955 0.516 19945 4735 1 5 . 1 1 130 130 SER CB C 130 67.205 67.205 64.963 2.242 19945 4736 1 5 . 1 1 130 130 SER H H 130 8.101 8.101 8.472 -0.371 19945 4737 1 5 . 1 1 131 131 LYS N N 131 129.963 129.963 127.199 2.764 19945 4738 1 5 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.285 0.164 19945 4739 1 5 . 1 1 131 131 LYS C C 131 176.533 176.533 177.797 -1.264 19945 4740 1 5 . 1 1 131 131 LYS CA C 131 56.900 56.900 57.429 -0.529 19945 4741 1 5 . 1 1 131 131 LYS CB C 131 32.629 32.629 31.997 0.632 19945 4742 1 5 . 1 1 131 131 LYS H H 131 9.690 9.690 8.895 0.795 19945 4743 1 5 . 1 1 132 132 GLY N N 132 107.870 107.870 106.954 0.916 19945 4744 1 5 . 1 1 132 132 GLY C C 132 173.354 173.354 173.828 -0.474 19945 4745 1 5 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.049 0.597 19945 4746 1 5 . 1 1 132 132 GLY H H 132 9.187 9.187 7.853 1.334 19945 4747 1 5 . 1 1 133 133 LEU N N 133 119.088 119.088 120.401 -1.313 19945 4748 1 5 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.075 0.568 19945 4749 1 5 . 1 1 133 133 LEU C C 133 177.748 177.748 176.335 1.413 19945 4750 1 5 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.918 -0.442 19945 4751 1 5 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.041 -1.537 19945 4752 1 5 . 1 1 133 133 LEU H H 133 7.098 7.098 7.563 -0.465 19945 4753 1 5 . 1 1 134 134 ALA N N 134 125.720 125.720 128.244 -2.524 19945 4754 1 5 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.528 -0.291 19945 4755 1 5 . 1 1 134 134 ALA C C 134 176.695 176.695 177.107 -0.412 19945 4756 1 5 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.540 -0.252 19945 4757 1 5 . 1 1 134 134 ALA CB C 134 19.612 19.612 21.028 -1.416 19945 4758 1 5 . 1 1 134 134 ALA H H 134 9.154 9.154 8.976 0.178 19945 4759 1 5 . 1 1 135 135 ASP N N 135 114.952 114.952 116.641 -1.689 19945 4760 1 5 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.809 -0.280 19945 4761 1 5 . 1 1 135 135 ASP C C 135 175.130 175.130 175.339 -0.209 19945 4762 1 5 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.321 -0.361 19945 4763 1 5 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.612 -3.084 19945 4764 1 5 . 1 1 135 135 ASP H H 135 8.299 8.299 7.977 0.322 19945 4765 1 5 . 1 1 136 136 ASP N N 136 114.870 114.870 122.201 -7.331 19945 4766 1 5 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.362 -0.027 19945 4767 1 5 . 1 1 136 136 ASP C C 136 176.303 176.303 177.070 -0.767 19945 4768 1 5 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.043 0.801 19945 4769 1 5 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.134 -0.270 19945 4770 1 5 . 1 1 136 136 ASP H H 136 8.433 8.433 8.689 -0.256 19945 4771 1 5 . 1 1 137 137 ASP N N 137 113.709 113.709 117.736 -4.027 19945 4772 1 5 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.656 0.175 19945 4773 1 5 . 1 1 137 137 ASP C C 137 176.514 176.514 175.097 1.417 19945 4774 1 5 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.960 -0.643 19945 4775 1 5 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.336 0.123 19945 4776 1 5 . 1 1 137 137 ASP H H 137 8.232 8.232 8.339 -0.107 19945 4777 1 5 . 1 1 138 138 HIS N N 138 117.829 117.829 117.386 0.443 19945 4778 1 5 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.956 0.326 19945 4779 1 5 . 1 1 138 138 HIS C C 138 175.130 175.130 173.844 1.286 19945 4780 1 5 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.475 1.123 19945 4781 1 5 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.650 -0.650 19945 4782 1 5 . 1 1 138 138 HIS H H 138 7.764 7.764 7.631 0.133 19945 4783 1 5 . 1 1 139 139 PHE N N 139 123.553 123.553 122.375 1.178 19945 4784 1 5 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.822 0.197 19945 4785 1 5 . 1 1 139 139 PHE C C 139 177.477 177.477 177.331 0.146 19945 4786 1 5 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.366 0.193 19945 4787 1 5 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.749 3.123 19945 4788 1 5 . 1 1 139 139 PHE H H 139 9.955 9.955 9.514 0.441 19945 4789 1 5 . 1 1 140 140 VAL N N 140 119.420 119.420 120.472 -1.052 19945 4790 1 5 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.024 -0.346 19945 4791 1 5 . 1 1 140 140 VAL C C 140 173.023 173.023 175.404 -2.381 19945 4792 1 5 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.787 -1.670 19945 4793 1 5 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.375 0.161 19945 4794 1 5 . 1 1 140 140 VAL H H 140 9.178 9.178 8.868 0.310 19945 4795 1 5 . 1 1 141 141 GLY N N 141 105.680 105.680 103.458 2.222 19945 4796 1 5 . 1 1 141 141 GLY C C 141 171.284 171.284 172.470 -1.186 19945 4797 1 5 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.041 0.680 19945 4798 1 5 . 1 1 141 141 GLY H H 141 6.837 6.837 7.497 -0.660 19945 4799 1 5 . 1 1 142 142 LEU N N 142 118.516 118.516 121.583 -3.067 19945 4800 1 5 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.752 -0.705 19945 4801 1 5 . 1 1 142 142 LEU C C 142 173.725 173.725 174.514 -0.789 19945 4802 1 5 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.096 1.608 19945 4803 1 5 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.774 -2.035 19945 4804 1 5 . 1 1 142 142 LEU H H 142 7.423 7.423 7.720 -0.297 19945 4805 1 5 . 1 1 143 143 ALA N N 143 128.382 128.382 129.982 -1.600 19945 4806 1 5 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.571 -0.097 19945 4807 1 5 . 1 1 143 143 ALA C C 143 175.685 175.685 178.516 -2.831 19945 4808 1 5 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.318 -0.687 19945 4809 1 5 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.505 0.343 19945 4810 1 5 . 1 1 143 143 ALA H H 143 5.414 5.414 8.113 -2.699 19945 4811 1 5 . 1 1 144 144 ILE N N 144 126.754 126.754 120.267 6.487 19945 4812 1 5 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.802 0.513 19945 4813 1 5 . 1 1 144 144 ILE C C 144 173.725 173.725 175.634 -1.909 19945 4814 1 5 . 1 1 144 144 ILE CA C 144 56.721 56.721 63.245 -6.524 19945 4815 1 5 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.078 -0.448 19945 4816 1 5 . 1 1 144 144 ILE H H 144 8.849 8.849 8.199 0.650 19945 4817 1 5 . 1 1 145 145 ASP N N 145 125.518 125.518 119.256 6.262 19945 4818 1 5 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.636 1.160 19945 4819 1 5 . 1 1 145 145 ASP C C 145 176.830 176.830 175.525 1.305 19945 4820 1 5 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.139 -1.587 19945 4821 1 5 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.676 -0.174 19945 4822 1 5 . 1 1 145 145 ASP H H 145 8.088 8.088 7.805 0.283 19945 4823 1 5 . 1 1 146 146 GLU N N 146 125.475 125.475 121.101 4.374 19945 4824 1 5 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.625 0.038 19945 4825 1 5 . 1 1 146 146 GLU C C 146 177.132 177.132 175.369 1.763 19945 4826 1 5 . 1 1 146 146 GLU CA C 146 56.273 56.273 57.005 -0.732 19945 4827 1 5 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.416 -0.166 19945 4828 1 5 . 1 1 146 146 GLU H H 146 8.390 8.390 8.768 -0.378 19945 4829 1 5 . 1 1 147 147 ASP N N 147 120.137 120.137 118.806 1.331 19945 4830 1 5 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.442 0.125 19945 4831 1 5 . 1 1 147 147 ASP C C 147 178.126 178.126 175.452 2.674 19945 4832 1 5 . 1 1 147 147 ASP CA C 147 58.001 58.001 53.854 4.147 19945 4833 1 5 . 1 1 147 147 ASP CB C 147 43.250 43.250 41.948 1.302 19945 4834 1 5 . 1 1 147 147 ASP H H 147 8.599 8.599 8.212 0.387 19945 4835 1 5 . 1 1 148 148 ARG N N 148 115.655 115.655 125.569 -9.914 19945 4836 1 5 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.922 0.776 19945 4837 1 5 . 1 1 148 148 ARG C C 148 177.704 177.704 175.189 2.515 19945 4838 1 5 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.944 -3.984 19945 4839 1 5 . 1 1 148 148 ARG CB C 148 30.814 30.814 29.072 1.742 19945 4840 1 5 . 1 1 148 148 ARG H H 148 9.762 9.762 8.807 0.955 19945 4841 1 5 . 1 1 149 149 GLN N N 149 116.313 116.313 118.414 -2.101 19945 4842 1 5 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.919 1.380 19945 4843 1 5 . 1 1 149 149 GLN C C 149 175.142 175.142 174.373 0.769 19945 4844 1 5 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.084 -2.683 19945 4845 1 5 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.811 3.030 19945 4846 1 5 . 1 1 149 149 GLN H H 149 7.622 7.622 8.533 -0.911 19945 4847 1 5 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.446 0.235 19945 4848 1 5 . 1 1 150 150 PRO C C 150 179.483 179.483 177.475 2.008 19945 4849 1 5 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.505 1.821 19945 4850 1 5 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.387 -1.735 19945 4851 1 5 . 1 1 151 151 GLU N N 151 122.981 122.981 114.826 8.155 19945 4852 1 5 . 1 1 151 151 GLU HA H 151 4.401 4.401 3.949 0.452 19945 4853 1 5 . 1 1 151 151 GLU C C 151 177.041 177.041 175.827 1.214 19945 4854 1 5 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.934 1.464 19945 4855 1 5 . 1 1 151 151 GLU CB C 151 27.582 27.582 29.307 -1.725 19945 4856 1 5 . 1 1 151 151 GLU H H 151 10.520 10.520 8.344 2.176 19945 4857 1 5 . 1 1 152 152 LEU N N 152 120.119 120.119 114.924 5.195 19945 4858 1 5 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.027 0.664 19945 4859 1 5 . 1 1 152 152 LEU C C 152 177.222 177.222 177.355 -0.133 19945 4860 1 5 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.605 -1.296 19945 4861 1 5 . 1 1 152 152 LEU CB C 152 41.935 41.935 39.928 2.007 19945 4862 1 5 . 1 1 152 152 LEU H H 152 7.589 7.589 8.588 -0.999 19945 4863 1 5 . 1 1 153 153 THR N N 153 119.637 119.637 115.011 4.626 19945 4864 1 5 . 1 1 153 153 THR HA H 153 3.592 3.592 3.930 -0.338 19945 4865 1 5 . 1 1 153 153 THR C C 153 174.178 174.178 176.090 -1.912 19945 4866 1 5 . 1 1 153 153 THR CA C 153 67.960 67.960 66.181 1.779 19945 4867 1 5 . 1 1 153 153 THR CB C 153 69.023 69.023 68.734 0.289 19945 4868 1 5 . 1 1 153 153 THR H H 153 7.469 7.469 8.268 -0.799 19945 4869 1 5 . 1 1 154 154 ALA N N 154 123.665 123.665 122.411 1.254 19945 4870 1 5 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.366 -0.478 19945 4871 1 5 . 1 1 154 154 ALA C C 154 180.417 180.417 179.224 1.193 19945 4872 1 5 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.434 2.104 19945 4873 1 5 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.460 -1.238 19945 4874 1 5 . 1 1 154 154 ALA H H 154 9.077 9.077 8.168 0.909 19945 4875 1 5 . 1 1 155 155 GLU N N 155 119.661 119.661 119.236 0.425 19945 4876 1 5 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.207 0.045 19945 4877 1 5 . 1 1 155 155 GLU C C 155 178.518 178.518 179.173 -0.655 19945 4878 1 5 . 1 1 155 155 GLU CA C 155 58.818 58.818 58.840 -0.022 19945 4879 1 5 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.024 0.683 19945 4880 1 5 . 1 1 155 155 GLU H H 155 8.647 8.647 8.675 -0.028 19945 4881 1 5 . 1 1 156 156 ARG N N 156 120.739 120.739 119.526 1.213 19945 4882 1 5 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.157 0.061 19945 4883 1 5 . 1 1 156 156 ARG C C 156 177.252 177.252 178.866 -1.614 19945 4884 1 5 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.710 0.759 19945 4885 1 5 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.083 0.940 19945 4886 1 5 . 1 1 156 156 ARG H H 156 8.129 8.129 8.385 -0.256 19945 4887 1 5 . 1 1 157 157 VAL N N 157 117.372 117.372 116.284 1.088 19945 4888 1 5 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.796 -0.477 19945 4889 1 5 . 1 1 157 157 VAL C C 157 177.192 177.192 177.560 -0.368 19945 4890 1 5 . 1 1 157 157 VAL CA C 157 67.400 67.400 65.524 1.876 19945 4891 1 5 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.089 0.743 19945 4892 1 5 . 1 1 157 157 VAL H H 157 8.578 8.578 7.388 1.190 19945 4893 1 5 . 1 1 158 158 GLU N N 158 118.631 118.631 122.161 -3.530 19945 4894 1 5 . 1 1 158 158 GLU HA H 158 4.197 4.197 3.915 0.282 19945 4895 1 5 . 1 1 158 158 GLU C C 158 179.995 179.995 179.015 0.980 19945 4896 1 5 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.422 -0.684 19945 4897 1 5 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.479 -0.302 19945 4898 1 5 . 1 1 158 158 GLU H H 158 8.046 8.046 8.398 -0.352 19945 4899 1 5 . 1 1 159 159 LYS N N 159 118.860 118.860 119.230 -0.370 19945 4900 1 5 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.128 0.058 19945 4901 1 5 . 1 1 159 159 LYS C C 159 179.844 179.844 179.193 0.651 19945 4902 1 5 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.401 0.594 19945 4903 1 5 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.623 1.069 19945 4904 1 5 . 1 1 159 159 LYS H H 159 8.522 8.522 8.286 0.236 19945 4905 1 5 . 1 1 160 160 TRP N N 160 125.100 125.100 121.962 3.138 19945 4906 1 5 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.919 -0.549 19945 4907 1 5 . 1 1 160 160 TRP C C 160 178.006 178.006 178.252 -0.246 19945 4908 1 5 . 1 1 160 160 TRP CA C 160 62.814 62.814 60.834 1.980 19945 4909 1 5 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.732 -0.940 19945 4910 1 5 . 1 1 160 160 TRP H H 160 9.076 9.076 8.052 1.024 19945 4911 1 5 . 1 1 161 161 VAL N N 161 118.402 118.402 119.343 -0.941 19945 4912 1 5 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.098 0.272 19945 4913 1 5 . 1 1 161 161 VAL C C 161 179.392 179.392 178.176 1.216 19945 4914 1 5 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.663 0.341 19945 4915 1 5 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.488 -1.138 19945 4916 1 5 . 1 1 161 161 VAL H H 161 9.024 9.024 8.754 0.270 19945 4917 1 5 . 1 1 162 162 LYS N N 162 123.209 123.209 119.493 3.716 19945 4918 1 5 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.909 0.093 19945 4919 1 5 . 1 1 162 162 LYS C C 162 178.759 178.759 178.818 -0.059 19945 4920 1 5 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.756 0.616 19945 4921 1 5 . 1 1 162 162 LYS CB C 162 32.364 32.364 31.983 0.381 19945 4922 1 5 . 1 1 162 162 LYS H H 162 7.820 7.820 7.925 -0.105 19945 4923 1 5 . 1 1 163 163 GLN N N 163 121.722 121.722 117.992 3.730 19945 4924 1 5 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.008 0.182 19945 4925 1 5 . 1 1 163 163 GLN C C 163 179.935 179.935 178.803 1.132 19945 4926 1 5 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.706 1.020 19945 4927 1 5 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.855 0.167 19945 4928 1 5 . 1 1 163 163 GLN H H 163 8.126 8.126 7.417 0.709 19945 4929 1 5 . 1 1 164 164 ILE N N 164 114.390 114.390 117.340 -2.950 19945 4930 1 5 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.630 0.360 19945 4931 1 5 . 1 1 164 164 ILE C C 164 178.156 178.156 177.537 0.619 19945 4932 1 5 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.313 0.863 19945 4933 1 5 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.209 0.469 19945 4934 1 5 . 1 1 164 164 ILE H H 164 9.110 9.110 7.471 1.639 19945 4935 1 5 . 1 1 165 165 SER N N 165 119.660 119.660 117.205 2.455 19945 4936 1 5 . 1 1 165 165 SER HA H 165 3.976 3.976 4.037 -0.061 19945 4937 1 5 . 1 1 165 165 SER C C 165 176.438 176.438 176.525 -0.087 19945 4938 1 5 . 1 1 165 165 SER CA C 165 63.180 63.180 62.729 0.451 19945 4939 1 5 . 1 1 165 165 SER CB C 165 62.383 62.383 62.434 -0.051 19945 4940 1 5 . 1 1 165 165 SER H H 165 8.278 8.278 8.418 -0.140 19945 4941 1 5 . 1 1 166 166 GLU N N 166 122.290 122.290 119.581 2.709 19945 4942 1 5 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.039 0.171 19945 4943 1 5 . 1 1 166 166 GLU C C 166 179.965 179.965 177.503 2.462 19945 4944 1 5 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.585 0.610 19945 4945 1 5 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.608 -0.364 19945 4946 1 5 . 1 1 166 166 GLU H H 166 7.345 7.345 7.639 -0.294 19945 4947 1 5 . 1 1 167 167 GLU N N 167 120.787 120.787 118.291 2.496 19945 4948 1 5 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.073 -0.134 19945 4949 1 5 . 1 1 167 167 GLU C C 167 178.518 178.518 177.937 0.581 19945 4950 1 5 . 1 1 167 167 GLU CA C 167 60.000 60.000 57.971 2.029 19945 4951 1 5 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.046 0.754 19945 4952 1 5 . 1 1 167 167 GLU H H 167 8.413 8.413 7.485 0.928 19945 4953 1 5 . 1 1 168 168 LEU N N 168 115.420 115.420 116.843 -1.423 19945 4954 1 5 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.355 -0.218 19945 4955 1 5 . 1 1 168 168 LEU C C 168 175.896 175.896 176.488 -0.592 19945 4956 1 5 . 1 1 168 168 LEU CA C 168 54.780 54.780 53.956 0.824 19945 4957 1 5 . 1 1 168 168 LEU CB C 168 43.300 43.300 41.981 1.319 19945 4958 1 5 . 1 1 168 168 LEU H H 168 8.553 8.553 8.120 0.433 19945 4959 1 5 . 1 1 169 169 HIS N N 169 113.347 113.347 113.283 0.064 19945 4960 1 5 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.325 0.026 19945 4961 1 5 . 1 1 169 169 HIS C C 169 175.835 175.835 175.742 0.093 19945 4962 1 5 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.956 -0.683 19945 4963 1 5 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.531 -0.809 19945 4964 1 5 . 1 1 169 169 HIS H H 169 7.550 7.550 7.964 -0.414 19945 4965 1 5 . 1 1 170 170 LEU N N 170 117.250 117.250 117.790 -0.540 19945 4966 1 5 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.204 -0.201 19945 4967 1 5 . 1 1 170 170 LEU C C 170 178.096 178.096 177.737 0.359 19945 4968 1 5 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.245 1.723 19945 4969 1 5 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.492 0.366 19945 4970 1 5 . 1 1 170 170 LEU H H 170 8.069 8.069 7.788 0.281 19945 4971 1 5 . 1 1 171 171 ASP N N 171 117.300 117.300 120.493 -3.193 19945 4972 1 5 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.270 0.065 19945 4973 1 5 . 1 1 171 171 ASP C C 171 177.915 177.915 178.151 -0.236 19945 4974 1 5 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.309 -1.619 19945 4975 1 5 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.792 -0.732 19945 4976 1 5 . 1 1 171 171 ASP H H 171 8.732 8.732 8.336 0.396 19945 4977 1 5 . 1 1 172 172 GLU N N 172 119.203 119.203 116.326 2.877 19945 4978 1 5 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.195 0.032 19945 4979 1 5 . 1 1 172 172 GLU C C 172 178.277 178.277 177.460 0.817 19945 4980 1 5 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.076 0.056 19945 4981 1 5 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.532 0.468 19945 4982 1 5 . 1 1 172 172 GLU H H 172 7.804 7.804 8.166 -0.362 19945 4983 1 5 . 1 1 173 173 ILE N N 173 119.519 119.519 116.934 2.585 19945 4984 1 5 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.100 -0.047 19945 4985 1 5 . 1 1 173 173 ILE C C 173 178.006 178.006 178.222 -0.216 19945 4986 1 5 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.412 0.188 19945 4987 1 5 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.212 -0.212 19945 4988 1 5 . 1 1 173 173 ILE H H 173 7.787 7.787 7.618 0.169 19945 4989 1 5 . 1 1 174 174 LEU N N 174 121.260 121.260 118.117 3.143 19945 4990 1 5 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.264 0.022 19945 4991 1 5 . 1 1 174 174 LEU C C 174 177.704 177.704 177.702 0.002 19945 4992 1 5 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.392 -1.119 19945 4993 1 5 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.368 0.091 19945 4994 1 5 . 1 1 174 174 LEU H H 174 8.241 8.241 8.391 -0.150 19945 4995 1 5 . 1 1 175 175 ASN N N 175 118.280 118.280 117.838 0.442 19945 4996 1 5 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.822 0.007 19945 4997 1 5 . 1 1 175 175 ASN C C 175 173.846 173.846 175.142 -1.296 19945 4998 1 5 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.617 1.605 19945 4999 1 5 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.158 0.113 19945 5000 1 5 . 1 1 175 175 ASN H H 175 7.883 7.883 8.063 -0.180 19945 5001 1 6 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.459 -0.207 19945 5002 1 6 . 1 1 2 2 ALA C C 2 174.479 174.479 177.652 -3.173 19945 5003 1 6 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.620 0.848 19945 5004 1 6 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.532 -0.365 19945 5005 1 6 . 1 1 3 3 ILE N N 3 116.571 116.571 115.701 0.870 19945 5006 1 6 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.685 -0.140 19945 5007 1 6 . 1 1 3 3 ILE C C 3 175.806 175.806 175.805 0.001 19945 5008 1 6 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.482 1.713 19945 5009 1 6 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.549 -0.139 19945 5010 1 6 . 1 1 3 3 ILE H H 3 8.456 8.456 8.474 -0.018 19945 5011 1 6 . 1 1 4 4 THR N N 4 115.734 115.734 118.649 -2.915 19945 5012 1 6 . 1 1 4 4 THR HA H 4 5.124 5.124 4.977 0.147 19945 5013 1 6 . 1 1 4 4 THR C C 4 172.410 172.410 173.419 -1.009 19945 5014 1 6 . 1 1 4 4 THR CA C 4 61.724 61.724 61.543 0.181 19945 5015 1 6 . 1 1 4 4 THR CB C 4 70.059 70.059 70.387 -0.328 19945 5016 1 6 . 1 1 4 4 THR H H 4 8.244 8.244 8.185 0.059 19945 5017 1 6 . 1 1 5 5 GLY N N 5 116.016 116.016 113.131 2.885 19945 5018 1 6 . 1 1 5 5 GLY C C 5 171.077 171.077 172.632 -1.555 19945 5019 1 6 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.149 0.360 19945 5020 1 6 . 1 1 5 5 GLY H H 5 8.554 8.554 8.934 -0.380 19945 5021 1 6 . 1 1 6 6 ILE N N 6 126.504 126.504 126.630 -0.126 19945 5022 1 6 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.873 0.578 19945 5023 1 6 . 1 1 6 6 ILE C C 6 175.245 175.245 174.628 0.617 19945 5024 1 6 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.409 -1.491 19945 5025 1 6 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.875 -0.667 19945 5026 1 6 . 1 1 6 6 ILE H H 6 8.719 8.719 8.852 -0.133 19945 5027 1 6 . 1 1 7 7 PHE N N 7 127.559 127.559 126.696 0.863 19945 5028 1 6 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.784 -0.171 19945 5029 1 6 . 1 1 7 7 PHE C C 7 174.634 174.634 175.199 -0.565 19945 5030 1 6 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.040 -0.377 19945 5031 1 6 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.880 -0.193 19945 5032 1 6 . 1 1 7 7 PHE H H 7 9.609 9.609 9.596 0.013 19945 5033 1 6 . 1 1 8 8 PHE N N 8 120.006 120.006 120.091 -0.085 19945 5034 1 6 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.999 0.225 19945 5035 1 6 . 1 1 8 8 PHE C C 8 171.212 171.212 173.878 -2.666 19945 5036 1 6 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.255 -0.576 19945 5037 1 6 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.994 0.527 19945 5038 1 6 . 1 1 8 8 PHE H H 8 8.545 8.545 8.950 -0.405 19945 5039 1 6 . 1 1 9 9 GLY N N 9 109.650 109.650 107.395 2.255 19945 5040 1 6 . 1 1 9 9 GLY C C 9 172.512 172.512 172.443 0.069 19945 5041 1 6 . 1 1 9 9 GLY CA C 9 44.318 44.318 44.025 0.293 19945 5042 1 6 . 1 1 9 9 GLY H H 9 7.701 7.701 8.853 -1.152 19945 5043 1 6 . 1 1 10 10 SER N N 10 115.953 115.953 114.292 1.661 19945 5044 1 6 . 1 1 10 10 SER HA H 10 5.001 5.001 4.916 0.085 19945 5045 1 6 . 1 1 10 10 SER C C 10 173.439 173.439 172.761 0.678 19945 5046 1 6 . 1 1 10 10 SER CA C 10 58.308 58.308 58.205 0.103 19945 5047 1 6 . 1 1 10 10 SER CB C 10 66.423 66.423 66.734 -0.311 19945 5048 1 6 . 1 1 10 10 SER H H 10 8.634 8.634 8.271 0.363 19945 5049 1 6 . 1 1 11 11 ASP N N 11 104.000 104.000 122.047 -18.047 19945 5050 1 6 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.618 0.356 19945 5051 1 6 . 1 1 11 11 ASP C C 11 179.108 179.108 177.030 2.078 19945 5052 1 6 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.474 0.075 19945 5053 1 6 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.262 -1.162 19945 5054 1 6 . 1 1 11 11 ASP H H 11 11.201 11.201 8.821 2.380 19945 5055 1 6 . 1 1 12 12 THR N N 12 112.000 112.000 114.070 -2.070 19945 5056 1 6 . 1 1 12 12 THR HA H 12 4.804 4.804 4.320 0.484 19945 5057 1 6 . 1 1 12 12 THR C C 12 175.080 175.080 176.275 -1.195 19945 5058 1 6 . 1 1 12 12 THR CA C 12 60.237 60.237 63.180 -2.943 19945 5059 1 6 . 1 1 12 12 THR CB C 12 68.567 68.567 69.051 -0.484 19945 5060 1 6 . 1 1 12 12 THR H H 12 9.311 9.311 8.360 0.951 19945 5061 1 6 . 1 1 13 13 GLY N N 13 112.221 112.221 110.473 1.748 19945 5062 1 6 . 1 1 13 13 GLY C C 13 176.690 176.690 174.857 1.833 19945 5063 1 6 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.767 1.533 19945 5064 1 6 . 1 1 13 13 GLY H H 13 8.000 8.000 8.404 -0.404 19945 5065 1 6 . 1 1 14 14 ASN N N 14 128.520 128.520 119.378 9.142 19945 5066 1 6 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.521 0.105 19945 5067 1 6 . 1 1 14 14 ASN C C 14 178.888 178.888 176.802 2.086 19945 5068 1 6 . 1 1 14 14 ASN CA C 14 57.064 57.064 56.029 1.035 19945 5069 1 6 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.675 -1.841 19945 5070 1 6 . 1 1 14 14 ASN H H 14 11.112 11.112 8.608 2.504 19945 5071 1 6 . 1 1 15 15 THR N N 15 122.550 122.550 116.731 5.819 19945 5072 1 6 . 1 1 15 15 THR HA H 15 4.369 4.369 4.169 0.200 19945 5073 1 6 . 1 1 15 15 THR C C 15 176.786 176.786 176.175 0.611 19945 5074 1 6 . 1 1 15 15 THR CA C 15 67.325 67.325 66.063 1.262 19945 5075 1 6 . 1 1 15 15 THR CB C 15 67.961 67.961 68.433 -0.472 19945 5076 1 6 . 1 1 15 15 THR H H 15 11.327 11.327 7.948 3.379 19945 5077 1 6 . 1 1 16 16 GLU N N 16 120.578 120.578 122.062 -1.484 19945 5078 1 6 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.747 -0.460 19945 5079 1 6 . 1 1 16 16 GLU C C 16 176.642 176.642 178.038 -1.396 19945 5080 1 6 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.251 -0.182 19945 5081 1 6 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.257 -0.880 19945 5082 1 6 . 1 1 16 16 GLU H H 16 6.590 6.590 8.035 -1.445 19945 5083 1 6 . 1 1 17 17 ASN N N 17 118.000 118.000 118.042 -0.042 19945 5084 1 6 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.451 -0.141 19945 5085 1 6 . 1 1 17 17 ASN C C 17 178.255 178.255 177.737 0.518 19945 5086 1 6 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.919 0.382 19945 5087 1 6 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.139 -0.501 19945 5088 1 6 . 1 1 17 17 ASN H H 17 7.705 7.705 7.580 0.125 19945 5089 1 6 . 1 1 18 18 ILE N N 18 119.430 119.430 120.257 -0.827 19945 5090 1 6 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.700 -0.048 19945 5091 1 6 . 1 1 18 18 ILE C C 18 177.564 177.564 177.656 -0.092 19945 5092 1 6 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.623 -1.123 19945 5093 1 6 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.603 -2.052 19945 5094 1 6 . 1 1 18 18 ILE H H 18 8.141 8.141 7.971 0.170 19945 5095 1 6 . 1 1 19 19 ALA N N 19 123.208 123.208 122.399 0.809 19945 5096 1 6 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.893 -0.224 19945 5097 1 6 . 1 1 19 19 ALA C C 19 178.888 178.888 179.594 -0.706 19945 5098 1 6 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.544 0.111 19945 5099 1 6 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.126 0.689 19945 5100 1 6 . 1 1 19 19 ALA H H 19 8.304 8.304 8.432 -0.128 19945 5101 1 6 . 1 1 20 20 LYS N N 20 116.460 116.460 118.907 -2.447 19945 5102 1 6 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.924 -0.108 19945 5103 1 6 . 1 1 20 20 LYS C C 20 179.666 179.666 179.188 0.478 19945 5104 1 6 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.502 0.320 19945 5105 1 6 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.297 -0.199 19945 5106 1 6 . 1 1 20 20 LYS H H 20 7.722 7.722 7.884 -0.162 19945 5107 1 6 . 1 1 21 21 MET N N 21 123.880 123.880 118.915 4.965 19945 5108 1 6 . 1 1 21 21 MET HA H 21 3.946 3.946 4.002 -0.056 19945 5109 1 6 . 1 1 21 21 MET C C 21 179.435 179.435 178.376 1.059 19945 5110 1 6 . 1 1 21 21 MET CA C 21 59.662 59.662 59.697 -0.035 19945 5111 1 6 . 1 1 21 21 MET CB C 21 34.262 34.262 32.550 1.712 19945 5112 1 6 . 1 1 21 21 MET H H 21 8.336 8.336 8.222 0.114 19945 5113 1 6 . 1 1 22 22 ILE N N 22 122.065 122.065 120.769 1.296 19945 5114 1 6 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.737 -0.492 19945 5115 1 6 . 1 1 22 22 ILE C C 22 177.592 177.592 178.221 -0.629 19945 5116 1 6 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.496 0.228 19945 5117 1 6 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.545 0.132 19945 5118 1 6 . 1 1 22 22 ILE H H 22 8.500 8.500 8.501 -0.001 19945 5119 1 6 . 1 1 23 23 GLN N N 23 119.264 119.264 119.654 -0.390 19945 5120 1 6 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.798 -0.354 19945 5121 1 6 . 1 1 23 23 GLN C C 23 177.017 177.017 178.099 -1.082 19945 5122 1 6 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.535 0.156 19945 5123 1 6 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.486 -0.638 19945 5124 1 6 . 1 1 23 23 GLN H H 23 7.985 7.985 8.419 -0.434 19945 5125 1 6 . 1 1 24 24 LYS N N 24 118.970 118.970 119.308 -0.338 19945 5126 1 6 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.985 -0.065 19945 5127 1 6 . 1 1 24 24 LYS C C 24 178.427 178.427 179.265 -0.838 19945 5128 1 6 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.457 0.703 19945 5129 1 6 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.069 0.295 19945 5130 1 6 . 1 1 24 24 LYS H H 24 7.942 7.942 7.937 0.005 19945 5131 1 6 . 1 1 25 25 GLN N N 25 118.400 118.400 117.926 0.474 19945 5132 1 6 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.095 -0.092 19945 5133 1 6 . 1 1 25 25 GLN C C 25 178.226 178.226 177.674 0.552 19945 5134 1 6 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.243 -0.160 19945 5135 1 6 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.069 -0.159 19945 5136 1 6 . 1 1 25 25 GLN H H 25 7.636 7.636 7.864 -0.228 19945 5137 1 6 . 1 1 26 26 LEU N N 26 119.080 119.080 116.035 3.045 19945 5138 1 6 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.209 -0.190 19945 5139 1 6 . 1 1 26 26 LEU C C 26 177.247 177.247 177.129 0.118 19945 5140 1 6 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.301 1.768 19945 5141 1 6 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.383 0.766 19945 5142 1 6 . 1 1 26 26 LEU H H 26 8.098 8.098 7.852 0.246 19945 5143 1 6 . 1 1 27 27 GLY N N 27 107.750 107.750 105.488 2.262 19945 5144 1 6 . 1 1 27 27 GLY C C 27 175.231 175.231 174.903 0.328 19945 5145 1 6 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.450 -0.390 19945 5146 1 6 . 1 1 27 27 GLY H H 27 8.050 8.050 7.884 0.166 19945 5147 1 6 . 1 1 28 28 LYS N N 28 125.187 125.187 122.306 2.881 19945 5148 1 6 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.174 0.049 19945 5149 1 6 . 1 1 28 28 LYS C C 28 176.372 176.372 176.519 -0.147 19945 5150 1 6 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.996 0.933 19945 5151 1 6 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.479 -0.381 19945 5152 1 6 . 1 1 28 28 LYS H H 28 8.786 8.786 8.539 0.247 19945 5153 1 6 . 1 1 29 29 ASP N N 29 115.960 115.960 115.249 0.711 19945 5154 1 6 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.579 -0.004 19945 5155 1 6 . 1 1 29 29 ASP C C 29 176.437 176.437 177.761 -1.324 19945 5156 1 6 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.575 -0.365 19945 5157 1 6 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.569 -0.767 19945 5158 1 6 . 1 1 29 29 ASP H H 29 8.919 8.919 8.185 0.734 19945 5159 1 6 . 1 1 30 30 VAL N N 30 120.609 120.609 119.157 1.452 19945 5160 1 6 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.108 -0.052 19945 5161 1 6 . 1 1 30 30 VAL C C 30 174.656 174.656 174.876 -0.220 19945 5162 1 6 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.010 0.710 19945 5163 1 6 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.124 -0.286 19945 5164 1 6 . 1 1 30 30 VAL H H 30 7.573 7.573 7.694 -0.121 19945 5165 1 6 . 1 1 31 31 ALA N N 31 123.100 123.100 120.326 2.774 19945 5166 1 6 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.161 0.370 19945 5167 1 6 . 1 1 31 31 ALA C C 31 175.174 175.174 174.753 0.421 19945 5168 1 6 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.555 -0.393 19945 5169 1 6 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.402 0.929 19945 5170 1 6 . 1 1 31 31 ALA H H 31 7.951 7.951 8.131 -0.180 19945 5171 1 6 . 1 1 32 32 ASP N N 32 121.576 121.576 121.364 0.212 19945 5172 1 6 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.954 -0.085 19945 5173 1 6 . 1 1 32 32 ASP C C 32 174.771 174.771 174.270 0.501 19945 5174 1 6 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.808 0.604 19945 5175 1 6 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.033 -1.246 19945 5176 1 6 . 1 1 32 32 ASP H H 32 8.175 8.175 8.511 -0.336 19945 5177 1 6 . 1 1 33 33 VAL N N 33 120.428 120.428 121.676 -1.248 19945 5178 1 6 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.640 0.017 19945 5179 1 6 . 1 1 33 33 VAL C C 33 174.252 174.252 174.972 -0.720 19945 5180 1 6 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.404 -0.101 19945 5181 1 6 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.005 -0.129 19945 5182 1 6 . 1 1 33 33 VAL H H 33 8.397 8.397 8.023 0.374 19945 5183 1 6 . 1 1 34 34 HIS N N 34 125.285 125.285 123.509 1.776 19945 5184 1 6 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.846 -0.293 19945 5185 1 6 . 1 1 34 34 HIS C C 34 171.920 171.920 173.202 -1.282 19945 5186 1 6 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.435 -0.865 19945 5187 1 6 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.348 0.072 19945 5188 1 6 . 1 1 34 34 HIS H H 34 8.945 8.945 8.889 0.056 19945 5189 1 6 . 1 1 35 35 ASP N N 35 124.120 124.120 122.119 2.001 19945 5190 1 6 . 1 1 35 35 ASP HA H 35 3.297 3.297 3.819 -0.522 19945 5191 1 6 . 1 1 35 35 ASP C C 35 179.780 179.780 176.579 3.201 19945 5192 1 6 . 1 1 35 35 ASP CA C 35 51.756 51.756 53.526 -1.770 19945 5193 1 6 . 1 1 35 35 ASP CB C 35 41.396 41.396 41.471 -0.075 19945 5194 1 6 . 1 1 35 35 ASP H H 35 8.589 8.589 8.583 0.006 19945 5195 1 6 . 1 1 36 36 ILE N N 36 106.681 106.681 126.853 -20.172 19945 5196 1 6 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.345 0.209 19945 5197 1 6 . 1 1 36 36 ILE C C 36 175.404 175.404 175.311 0.093 19945 5198 1 6 . 1 1 36 36 ILE CA C 36 59.350 59.350 61.796 -2.446 19945 5199 1 6 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.176 2.095 19945 5200 1 6 . 1 1 36 36 ILE H H 36 9.705 9.705 8.182 1.523 19945 5201 1 6 . 1 1 37 37 ALA N N 37 123.095 123.095 118.928 4.167 19945 5202 1 6 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.992 0.097 19945 5203 1 6 . 1 1 37 37 ALA C C 37 178.140 178.140 178.222 -0.082 19945 5204 1 6 . 1 1 37 37 ALA CA C 37 53.616 53.616 53.726 -0.110 19945 5205 1 6 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.963 0.383 19945 5206 1 6 . 1 1 37 37 ALA H H 37 8.261 8.261 7.776 0.485 19945 5207 1 6 . 1 1 38 38 LYS N N 38 115.312 115.312 118.069 -2.757 19945 5208 1 6 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.187 0.424 19945 5209 1 6 . 1 1 38 38 LYS C C 38 176.498 176.498 177.398 -0.900 19945 5210 1 6 . 1 1 38 38 LYS CA C 38 54.147 54.147 57.425 -3.278 19945 5211 1 6 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.800 0.626 19945 5212 1 6 . 1 1 38 38 LYS H H 38 7.437 7.437 7.399 0.038 19945 5213 1 6 . 1 1 39 39 SER N N 39 115.623 115.623 115.756 -0.133 19945 5214 1 6 . 1 1 39 39 SER HA H 39 5.019 5.019 4.404 0.615 19945 5215 1 6 . 1 1 39 39 SER C C 39 171.402 171.402 173.723 -2.321 19945 5216 1 6 . 1 1 39 39 SER CA C 39 58.929 58.929 59.564 -0.635 19945 5217 1 6 . 1 1 39 39 SER CB C 39 65.538 65.538 64.104 1.434 19945 5218 1 6 . 1 1 39 39 SER H H 39 7.051 7.051 7.490 -0.439 19945 5219 1 6 . 1 1 40 40 SER N N 40 118.860 118.860 115.775 3.085 19945 5220 1 6 . 1 1 40 40 SER HA H 40 5.025 5.025 4.902 0.123 19945 5221 1 6 . 1 1 40 40 SER C C 40 174.741 174.741 175.283 -0.542 19945 5222 1 6 . 1 1 40 40 SER CA C 40 56.003 56.003 57.074 -1.071 19945 5223 1 6 . 1 1 40 40 SER CB C 40 67.416 67.416 65.415 2.001 19945 5224 1 6 . 1 1 40 40 SER H H 40 9.377 9.377 8.263 1.114 19945 5225 1 6 . 1 1 41 41 LYS N N 41 122.504 122.504 122.908 -0.404 19945 5226 1 6 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.935 -0.197 19945 5227 1 6 . 1 1 41 41 LYS C C 41 177.391 177.391 178.025 -0.634 19945 5228 1 6 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.083 0.890 19945 5229 1 6 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.169 1.138 19945 5230 1 6 . 1 1 41 41 LYS H H 41 9.098 9.098 8.819 0.279 19945 5231 1 6 . 1 1 42 42 GLU N N 42 115.836 115.836 115.568 0.268 19945 5232 1 6 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.293 -0.165 19945 5233 1 6 . 1 1 42 42 GLU C C 42 178.773 178.773 177.892 0.881 19945 5234 1 6 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.955 2.037 19945 5235 1 6 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.243 -0.599 19945 5236 1 6 . 1 1 42 42 GLU H H 42 8.839 8.839 8.524 0.315 19945 5237 1 6 . 1 1 43 43 ASP N N 43 119.589 119.589 120.276 -0.687 19945 5238 1 6 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.476 0.010 19945 5239 1 6 . 1 1 43 43 ASP C C 43 177.564 177.564 177.503 0.061 19945 5240 1 6 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.575 1.026 19945 5241 1 6 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.956 -0.150 19945 5242 1 6 . 1 1 43 43 ASP H H 43 7.794 7.794 7.853 -0.059 19945 5243 1 6 . 1 1 44 44 LEU N N 44 118.745 118.745 118.900 -0.155 19945 5244 1 6 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.162 -0.191 19945 5245 1 6 . 1 1 44 44 LEU C C 44 178.600 178.600 178.785 -0.185 19945 5246 1 6 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.780 2.102 19945 5247 1 6 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.191 0.533 19945 5248 1 6 . 1 1 44 44 LEU H H 44 6.854 6.854 7.453 -0.599 19945 5249 1 6 . 1 1 45 45 GLU N N 45 114.280 114.280 119.024 -4.744 19945 5250 1 6 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.909 -0.282 19945 5251 1 6 . 1 1 45 45 GLU C C 45 176.988 176.988 178.265 -1.277 19945 5252 1 6 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.752 -0.076 19945 5253 1 6 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.120 1.118 19945 5254 1 6 . 1 1 45 45 GLU H H 45 7.571 7.571 7.639 -0.068 19945 5255 1 6 . 1 1 46 46 ALA N N 46 118.860 118.860 121.597 -2.737 19945 5256 1 6 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.009 0.029 19945 5257 1 6 . 1 1 46 46 ALA C C 46 176.901 176.901 177.882 -0.981 19945 5258 1 6 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.465 -0.146 19945 5259 1 6 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.750 0.331 19945 5260 1 6 . 1 1 46 46 ALA H H 46 7.026 7.026 7.427 -0.401 19945 5261 1 6 . 1 1 47 47 TYR N N 47 115.674 115.674 116.050 -0.376 19945 5262 1 6 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.573 0.158 19945 5263 1 6 . 1 1 47 47 TYR C C 47 175.807 175.807 175.653 0.154 19945 5264 1 6 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.829 -1.222 19945 5265 1 6 . 1 1 47 47 TYR CB C 47 41.662 41.662 40.215 1.446 19945 5266 1 6 . 1 1 47 47 TYR H H 47 7.277 7.277 7.500 -0.223 19945 5267 1 6 . 1 1 48 48 ASP N N 48 121.598 121.598 121.152 0.446 19945 5268 1 6 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.855 0.053 19945 5269 1 6 . 1 1 48 48 ASP C C 48 175.030 175.030 175.503 -0.473 19945 5270 1 6 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.113 0.095 19945 5271 1 6 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.516 -0.870 19945 5272 1 6 . 1 1 48 48 ASP H H 48 9.546 9.546 8.647 0.899 19945 5273 1 6 . 1 1 49 49 ILE N N 49 119.608 119.608 120.308 -0.700 19945 5274 1 6 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.067 0.227 19945 5275 1 6 . 1 1 49 49 ILE C C 49 175.059 175.059 174.527 0.532 19945 5276 1 6 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.536 -0.006 19945 5277 1 6 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.943 0.126 19945 5278 1 6 . 1 1 49 49 ILE H H 49 7.331 7.331 7.637 -0.306 19945 5279 1 6 . 1 1 50 50 LEU N N 50 127.901 127.901 127.065 0.836 19945 5280 1 6 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.568 0.092 19945 5281 1 6 . 1 1 50 50 LEU C C 50 174.598 174.598 175.334 -0.736 19945 5282 1 6 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.282 -0.463 19945 5283 1 6 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.787 3.250 19945 5284 1 6 . 1 1 50 50 LEU H H 50 9.095 9.095 9.217 -0.122 19945 5285 1 6 . 1 1 51 51 LEU N N 51 123.440 123.440 125.128 -1.688 19945 5286 1 6 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.382 0.650 19945 5287 1 6 . 1 1 51 51 LEU C C 51 175.894 175.894 175.404 0.490 19945 5288 1 6 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.284 -0.973 19945 5289 1 6 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.847 -0.529 19945 5290 1 6 . 1 1 51 51 LEU H H 51 9.275 9.275 9.340 -0.065 19945 5291 1 6 . 1 1 52 52 LEU N N 52 123.320 123.320 125.594 -2.274 19945 5292 1 6 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.484 0.172 19945 5293 1 6 . 1 1 52 52 LEU C C 52 173.763 173.763 175.725 -1.962 19945 5294 1 6 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.340 -0.463 19945 5295 1 6 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.377 -1.891 19945 5296 1 6 . 1 1 52 52 LEU H H 52 9.024 9.024 9.109 -0.085 19945 5297 1 6 . 1 1 53 53 GLY N N 53 110.739 110.739 112.070 -1.331 19945 5298 1 6 . 1 1 53 53 GLY C C 53 174.530 174.530 171.567 2.963 19945 5299 1 6 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.122 -0.133 19945 5300 1 6 . 1 1 53 53 GLY H H 53 9.283 9.283 9.267 0.016 19945 5301 1 6 . 1 1 54 54 ILE N N 54 126.032 126.032 124.108 1.924 19945 5302 1 6 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.593 0.613 19945 5303 1 6 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.861 -0.854 19945 5304 1 6 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.695 1.295 19945 5305 1 6 . 1 1 54 54 ILE H H 54 9.136 9.136 8.468 0.668 19945 5306 1 6 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.916 0.401 19945 5307 1 6 . 1 1 55 55 PRO C C 55 174.771 174.771 176.635 -1.864 19945 5308 1 6 . 1 1 55 55 PRO CA C 55 61.748 61.748 62.065 -0.317 19945 5309 1 6 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.983 0.031 19945 5310 1 6 . 1 1 56 56 THR N N 56 113.710 113.710 117.115 -3.405 19945 5311 1 6 . 1 1 56 56 THR HA H 56 4.582 4.582 4.908 -0.326 19945 5312 1 6 . 1 1 56 56 THR C C 56 171.719 171.719 174.049 -2.330 19945 5313 1 6 . 1 1 56 56 THR CA C 56 62.383 62.383 62.456 -0.073 19945 5314 1 6 . 1 1 56 56 THR CB C 56 69.692 69.692 70.641 -0.950 19945 5315 1 6 . 1 1 56 56 THR H H 56 6.599 6.599 7.695 -1.096 19945 5316 1 6 . 1 1 57 57 TRP N N 57 130.050 130.050 124.250 5.800 19945 5317 1 6 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.547 -1.921 19945 5318 1 6 . 1 1 57 57 TRP C C 57 172.611 172.611 175.176 -2.565 19945 5319 1 6 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.328 -0.053 19945 5320 1 6 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.828 1.926 19945 5321 1 6 . 1 1 57 57 TRP H H 57 8.865 8.865 8.932 -0.067 19945 5322 1 6 . 1 1 58 58 TYR N N 58 112.793 112.793 118.591 -5.798 19945 5323 1 6 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.770 0.446 19945 5324 1 6 . 1 1 58 58 TYR C C 58 173.619 173.619 175.203 -1.584 19945 5325 1 6 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.974 0.227 19945 5326 1 6 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.798 -0.598 19945 5327 1 6 . 1 1 58 58 TYR H H 58 5.730 5.730 7.977 -2.247 19945 5328 1 6 . 1 1 59 59 TYR N N 59 112.220 112.220 117.760 -5.540 19945 5329 1 6 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.350 0.045 19945 5330 1 6 . 1 1 59 59 TYR C C 59 175.865 175.865 175.240 0.625 19945 5331 1 6 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.887 1.573 19945 5332 1 6 . 1 1 59 59 TYR CB C 59 33.610 33.610 34.816 -1.206 19945 5333 1 6 . 1 1 59 59 TYR H H 59 7.661 7.661 7.924 -0.263 19945 5334 1 6 . 1 1 60 60 GLY N N 60 104.550 104.550 103.912 0.638 19945 5335 1 6 . 1 1 60 60 GLY C C 60 174.483 174.483 174.268 0.215 19945 5336 1 6 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.268 0.910 19945 5337 1 6 . 1 1 60 60 GLY H H 60 8.142 8.142 8.017 0.125 19945 5338 1 6 . 1 1 61 61 GLU N N 61 120.991 120.991 120.530 0.461 19945 5339 1 6 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.678 -0.240 19945 5340 1 6 . 1 1 61 61 GLU C C 61 175.548 175.548 175.452 0.096 19945 5341 1 6 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.345 1.131 19945 5342 1 6 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.895 -1.395 19945 5343 1 6 . 1 1 61 61 GLU H H 61 8.307 8.307 8.139 0.168 19945 5344 1 6 . 1 1 62 62 ALA N N 62 122.750 122.750 125.520 -2.770 19945 5345 1 6 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.481 -0.275 19945 5346 1 6 . 1 1 62 62 ALA C C 62 176.671 176.671 177.217 -0.546 19945 5347 1 6 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.787 0.023 19945 5348 1 6 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.875 1.331 19945 5349 1 6 . 1 1 62 62 ALA H H 62 8.722 8.722 8.550 0.172 19945 5350 1 6 . 1 1 63 63 GLN N N 63 120.579 120.579 120.894 -0.315 19945 5351 1 6 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.099 -0.213 19945 5352 1 6 . 1 1 63 63 GLN C C 63 176.757 176.757 177.035 -0.278 19945 5353 1 6 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.151 2.458 19945 5354 1 6 . 1 1 63 63 GLN H H 63 6.302 6.302 8.567 -2.265 19945 5355 1 6 . 1 1 64 64 CYS N N 64 125.487 125.487 123.083 2.404 19945 5356 1 6 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.026 0.085 19945 5357 1 6 . 1 1 64 64 CYS C C 64 174.972 174.972 175.792 -0.820 19945 5358 1 6 . 1 1 64 64 CYS CA C 64 61.489 61.489 61.838 -0.349 19945 5359 1 6 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.233 0.349 19945 5360 1 6 . 1 1 64 64 CYS H H 64 9.091 9.091 8.775 0.316 19945 5361 1 6 . 1 1 65 65 ASP N N 65 120.298 120.298 120.914 -0.616 19945 5362 1 6 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.256 0.143 19945 5363 1 6 . 1 1 65 65 ASP C C 65 179.000 179.000 176.415 2.585 19945 5364 1 6 . 1 1 65 65 ASP CA C 65 58.132 58.132 56.214 1.918 19945 5365 1 6 . 1 1 65 65 ASP CB C 65 41.223 41.223 38.842 2.381 19945 5366 1 6 . 1 1 65 65 ASP H H 65 7.093 7.093 8.582 -1.489 19945 5367 1 6 . 1 1 66 66 TRP N N 66 122.608 122.608 119.765 2.843 19945 5368 1 6 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.398 -0.182 19945 5369 1 6 . 1 1 66 66 TRP C C 66 176.930 176.930 177.554 -0.624 19945 5370 1 6 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.260 1.263 19945 5371 1 6 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.830 0.131 19945 5372 1 6 . 1 1 66 66 TRP H H 66 7.394 7.394 7.337 0.057 19945 5373 1 6 . 1 1 67 67 ASP N N 67 118.860 118.860 118.930 -0.070 19945 5374 1 6 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.571 -0.046 19945 5375 1 6 . 1 1 67 67 ASP C C 67 179.579 179.579 177.816 1.763 19945 5376 1 6 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.818 0.523 19945 5377 1 6 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.611 1.789 19945 5378 1 6 . 1 1 67 67 ASP H H 67 8.087 8.087 7.953 0.134 19945 5379 1 6 . 1 1 68 68 ASP N N 68 116.220 116.220 118.386 -2.166 19945 5380 1 6 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.451 -0.095 19945 5381 1 6 . 1 1 68 68 ASP C C 68 176.873 176.873 177.041 -0.168 19945 5382 1 6 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.061 0.194 19945 5383 1 6 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.038 -0.232 19945 5384 1 6 . 1 1 68 68 ASP H H 68 8.056 8.056 7.960 0.096 19945 5385 1 6 . 1 1 69 69 PHE N N 69 120.493 120.493 117.727 2.766 19945 5386 1 6 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.452 -0.089 19945 5387 1 6 . 1 1 69 69 PHE C C 69 177.103 177.103 176.228 0.875 19945 5388 1 6 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.291 -0.362 19945 5389 1 6 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.383 1.147 19945 5390 1 6 . 1 1 69 69 PHE H H 69 7.659 7.659 7.529 0.130 19945 5391 1 6 . 1 1 70 70 PHE N N 70 122.293 122.293 119.995 2.298 19945 5392 1 6 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.399 0.619 19945 5393 1 6 . 1 1 70 70 PHE C C 70 174.396 174.396 174.708 -0.312 19945 5394 1 6 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.310 -2.187 19945 5395 1 6 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.492 -0.737 19945 5396 1 6 . 1 1 70 70 PHE H H 70 8.197 8.197 8.132 0.065 19945 5397 1 6 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.345 0.053 19945 5398 1 6 . 1 1 71 71 PRO C C 71 179.118 179.118 177.619 1.499 19945 5399 1 6 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.056 1.311 19945 5400 1 6 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.109 -0.179 19945 5401 1 6 . 1 1 72 72 THR N N 72 114.461 114.461 113.954 0.507 19945 5402 1 6 . 1 1 72 72 THR HA H 72 3.816 3.816 3.996 -0.180 19945 5403 1 6 . 1 1 72 72 THR C C 72 176.498 176.498 176.715 -0.217 19945 5404 1 6 . 1 1 72 72 THR CA C 72 65.803 65.803 64.987 0.816 19945 5405 1 6 . 1 1 72 72 THR CB C 72 67.203 67.203 68.496 -1.293 19945 5406 1 6 . 1 1 72 72 THR H H 72 7.534 7.534 7.612 -0.078 19945 5407 1 6 . 1 1 73 73 LEU N N 73 124.812 124.812 123.193 1.619 19945 5408 1 6 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.225 -0.135 19945 5409 1 6 . 1 1 73 73 LEU C C 73 177.996 177.996 177.264 0.732 19945 5410 1 6 . 1 1 73 73 LEU CA C 73 58.151 58.151 57.987 0.164 19945 5411 1 6 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.236 1.550 19945 5412 1 6 . 1 1 73 73 LEU H H 73 8.123 8.123 8.201 -0.078 19945 5413 1 6 . 1 1 74 74 GLU N N 74 111.877 111.877 114.604 -2.727 19945 5414 1 6 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.236 -0.411 19945 5415 1 6 . 1 1 74 74 GLU C C 74 176.930 176.930 177.255 -0.325 19945 5416 1 6 . 1 1 74 74 GLU CA C 74 57.675 57.675 57.937 -0.262 19945 5417 1 6 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.426 0.595 19945 5418 1 6 . 1 1 74 74 GLU H H 74 7.933 7.933 7.759 0.174 19945 5419 1 6 . 1 1 75 75 GLU N N 75 116.571 116.571 118.153 -1.582 19945 5420 1 6 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.322 0.025 19945 5421 1 6 . 1 1 75 75 GLU C C 75 177.045 177.045 176.945 0.100 19945 5422 1 6 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.494 -0.468 19945 5423 1 6 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.629 -0.120 19945 5424 1 6 . 1 1 75 75 GLU H H 75 7.659 7.659 7.931 -0.272 19945 5425 1 6 . 1 1 76 76 ILE N N 76 123.080 123.080 121.774 1.306 19945 5426 1 6 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.848 -0.071 19945 5427 1 6 . 1 1 76 76 ILE C C 76 174.656 174.656 175.083 -0.427 19945 5428 1 6 . 1 1 76 76 ILE CA C 76 62.074 62.074 63.045 -0.971 19945 5429 1 6 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.407 0.598 19945 5430 1 6 . 1 1 76 76 ILE H H 76 7.468 7.468 7.623 -0.155 19945 5431 1 6 . 1 1 77 77 ASP N N 77 126.540 126.540 126.041 0.499 19945 5432 1 6 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.665 0.148 19945 5433 1 6 . 1 1 77 77 ASP C C 77 176.614 176.614 174.967 1.647 19945 5434 1 6 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.878 -0.737 19945 5435 1 6 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.296 -1.431 19945 5436 1 6 . 1 1 77 77 ASP H H 77 8.605 8.605 8.787 -0.182 19945 5437 1 6 . 1 1 78 78 PHE N N 78 124.583 124.583 122.834 1.749 19945 5438 1 6 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.643 -0.483 19945 5439 1 6 . 1 1 78 78 PHE C C 78 175.347 175.347 175.502 -0.155 19945 5440 1 6 . 1 1 78 78 PHE CA C 78 59.142 59.142 57.290 1.852 19945 5441 1 6 . 1 1 78 78 PHE CB C 78 40.168 40.168 40.435 -0.267 19945 5442 1 6 . 1 1 78 78 PHE H H 78 8.053 8.053 8.166 -0.113 19945 5443 1 6 . 1 1 79 79 ASN N N 79 121.321 121.321 120.315 1.006 19945 5444 1 6 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.507 0.010 19945 5445 1 6 . 1 1 79 79 ASN C C 79 176.815 176.815 176.609 0.206 19945 5446 1 6 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.323 1.129 19945 5447 1 6 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.178 0.561 19945 5448 1 6 . 1 1 79 79 ASN H H 79 8.695 8.695 8.451 0.244 19945 5449 1 6 . 1 1 80 80 GLY N N 80 114.150 114.150 113.489 0.661 19945 5450 1 6 . 1 1 80 80 GLY C C 80 174.195 174.195 174.473 -0.278 19945 5451 1 6 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.451 0.195 19945 5452 1 6 . 1 1 80 80 GLY H H 80 8.646 8.646 8.570 0.076 19945 5453 1 6 . 1 1 81 81 LYS N N 81 119.318 119.318 120.942 -1.624 19945 5454 1 6 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.394 0.643 19945 5455 1 6 . 1 1 81 81 LYS C C 81 176.268 176.268 176.080 0.188 19945 5456 1 6 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.820 -0.824 19945 5457 1 6 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.828 0.127 19945 5458 1 6 . 1 1 81 81 LYS H H 81 8.295 8.295 7.894 0.401 19945 5459 1 6 . 1 1 82 82 LEU N N 82 127.000 127.000 123.244 3.756 19945 5460 1 6 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.086 0.144 19945 5461 1 6 . 1 1 82 82 LEU C C 82 175.347 175.347 176.020 -0.673 19945 5462 1 6 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.240 -0.436 19945 5463 1 6 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.050 1.101 19945 5464 1 6 . 1 1 82 82 LEU H H 82 8.407 8.407 8.884 -0.477 19945 5465 1 6 . 1 1 83 83 VAL N N 83 121.665 121.665 121.622 0.043 19945 5466 1 6 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.335 0.505 19945 5467 1 6 . 1 1 83 83 VAL C C 83 173.417 173.417 174.382 -0.965 19945 5468 1 6 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.405 -1.203 19945 5469 1 6 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.118 1.230 19945 5470 1 6 . 1 1 83 83 VAL H H 83 8.960 8.960 9.030 -0.070 19945 5471 1 6 . 1 1 84 84 ALA N N 84 128.017 128.017 129.508 -1.491 19945 5472 1 6 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.438 -0.105 19945 5473 1 6 . 1 1 84 84 ALA C C 84 175.231 175.231 175.818 -0.587 19945 5474 1 6 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.467 0.961 19945 5475 1 6 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.080 1.048 19945 5476 1 6 . 1 1 84 84 ALA H H 84 9.021 9.021 9.098 -0.077 19945 5477 1 6 . 1 1 85 85 LEU N N 85 124.220 124.220 120.552 3.668 19945 5478 1 6 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.535 0.077 19945 5479 1 6 . 1 1 85 85 LEU C C 85 174.454 174.454 176.089 -1.635 19945 5480 1 6 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.105 -0.132 19945 5481 1 6 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.015 0.897 19945 5482 1 6 . 1 1 85 85 LEU H H 85 11.134 11.134 8.861 2.273 19945 5483 1 6 . 1 1 86 86 PHE N N 86 114.461 114.461 116.319 -1.858 19945 5484 1 6 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.059 0.163 19945 5485 1 6 . 1 1 86 86 PHE C C 86 173.619 173.619 173.602 0.017 19945 5486 1 6 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.409 -0.731 19945 5487 1 6 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.741 1.239 19945 5488 1 6 . 1 1 86 86 PHE H H 86 8.829 8.829 8.727 0.102 19945 5489 1 6 . 1 1 87 87 GLY N N 87 104.437 104.437 105.532 -1.095 19945 5490 1 6 . 1 1 87 87 GLY C C 87 170.423 170.423 172.483 -2.060 19945 5491 1 6 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.580 0.351 19945 5492 1 6 . 1 1 87 87 GLY H H 87 8.496 8.496 8.859 -0.363 19945 5493 1 6 . 1 1 88 88 CYS N N 88 114.166 114.166 118.930 -4.764 19945 5494 1 6 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.518 0.485 19945 5495 1 6 . 1 1 88 88 CYS C C 88 174.425 174.425 174.765 -0.340 19945 5496 1 6 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.285 -0.748 19945 5497 1 6 . 1 1 88 88 CYS CB C 88 31.301 31.301 29.705 1.596 19945 5498 1 6 . 1 1 88 88 CYS H H 88 5.354 5.354 8.408 -3.054 19945 5499 1 6 . 1 1 89 89 GLY N N 89 109.463 109.463 107.559 1.904 19945 5500 1 6 . 1 1 89 89 GLY C C 89 173.187 173.187 171.406 1.781 19945 5501 1 6 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.850 1.593 19945 5502 1 6 . 1 1 89 89 GLY H H 89 8.404 8.404 8.338 0.066 19945 5503 1 6 . 1 1 90 90 ASP N N 90 123.090 123.090 119.285 3.805 19945 5504 1 6 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.956 0.843 19945 5505 1 6 . 1 1 90 90 ASP C C 90 176.095 176.095 175.070 1.025 19945 5506 1 6 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.517 -0.963 19945 5507 1 6 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.158 0.097 19945 5508 1 6 . 1 1 90 90 ASP H H 90 8.698 8.698 8.391 0.307 19945 5509 1 6 . 1 1 91 91 GLN N N 91 123.780 123.780 122.964 0.816 19945 5510 1 6 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.203 -0.507 19945 5511 1 6 . 1 1 91 91 GLN C C 91 173.639 173.639 174.920 -1.281 19945 5512 1 6 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.666 1.394 19945 5513 1 6 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.021 0.420 19945 5514 1 6 . 1 1 91 91 GLN H H 91 9.675 9.675 9.102 0.573 19945 5515 1 6 . 1 1 92 92 GLU N N 92 118.631 118.631 119.450 -0.819 19945 5516 1 6 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.361 0.230 19945 5517 1 6 . 1 1 92 92 GLU C C 92 177.247 177.247 177.439 -0.192 19945 5518 1 6 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.281 0.055 19945 5519 1 6 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.597 0.173 19945 5520 1 6 . 1 1 92 92 GLU H H 92 8.396 8.396 8.018 0.378 19945 5521 1 6 . 1 1 93 93 ASP N N 93 120.889 120.889 119.261 1.628 19945 5522 1 6 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.606 -0.324 19945 5523 1 6 . 1 1 93 93 ASP C C 93 175.986 175.986 176.999 -1.013 19945 5524 1 6 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.017 0.408 19945 5525 1 6 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.695 -2.445 19945 5526 1 6 . 1 1 93 93 ASP H H 93 7.779 7.779 8.854 -1.075 19945 5527 1 6 . 1 1 94 94 TYR N N 94 117.028 117.028 119.536 -2.508 19945 5528 1 6 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.787 -0.102 19945 5529 1 6 . 1 1 94 94 TYR C C 94 175.519 175.519 176.401 -0.882 19945 5530 1 6 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.971 -0.592 19945 5531 1 6 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.781 -0.939 19945 5532 1 6 . 1 1 94 94 TYR H H 94 6.693 6.693 8.400 -1.707 19945 5533 1 6 . 1 1 95 95 ALA N N 95 121.950 121.950 123.016 -1.066 19945 5534 1 6 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.090 0.066 19945 5535 1 6 . 1 1 95 95 ALA C C 95 179.723 179.723 178.435 1.288 19945 5536 1 6 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.855 1.068 19945 5537 1 6 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.785 1.770 19945 5538 1 6 . 1 1 95 95 ALA H H 95 6.962 6.962 8.211 -1.249 19945 5539 1 6 . 1 1 96 96 GLU N N 96 115.884 115.884 116.994 -1.110 19945 5540 1 6 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.481 -0.175 19945 5541 1 6 . 1 1 96 96 GLU C C 96 174.684 174.684 176.123 -1.439 19945 5542 1 6 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.438 0.548 19945 5543 1 6 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.459 -0.283 19945 5544 1 6 . 1 1 96 96 GLU H H 96 9.327 9.327 8.608 0.719 19945 5545 1 6 . 1 1 97 97 TYR N N 97 121.836 121.836 116.789 5.047 19945 5546 1 6 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.872 0.537 19945 5547 1 6 . 1 1 97 97 TYR C C 97 179.953 179.953 174.953 5.000 19945 5548 1 6 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.176 0.266 19945 5549 1 6 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.160 2.132 19945 5550 1 6 . 1 1 97 97 TYR H H 97 8.175 8.175 8.156 0.019 19945 5551 1 6 . 1 1 98 98 PHE N N 98 124.580 124.580 123.691 0.889 19945 5552 1 6 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.626 0.511 19945 5553 1 6 . 1 1 98 98 PHE C C 98 174.742 174.742 175.951 -1.209 19945 5554 1 6 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.250 0.413 19945 5555 1 6 . 1 1 98 98 PHE CB C 98 38.655 38.655 40.101 -1.446 19945 5556 1 6 . 1 1 98 98 PHE H H 98 7.889 7.889 8.001 -0.112 19945 5557 1 6 . 1 1 99 99 CYS N N 99 120.329 120.329 121.882 -1.553 19945 5558 1 6 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.570 0.082 19945 5559 1 6 . 1 1 99 99 CYS C C 99 175.087 175.087 174.924 0.163 19945 5560 1 6 . 1 1 99 99 CYS CA C 99 62.876 62.876 58.574 4.302 19945 5561 1 6 . 1 1 99 99 CYS CB C 99 24.000 24.000 24.833 -0.833 19945 5562 1 6 . 1 1 99 99 CYS H H 99 8.617 8.617 8.545 0.072 19945 5563 1 6 . 1 1 100 100 ASP N N 100 116.705 116.705 121.991 -5.286 19945 5564 1 6 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.328 -0.383 19945 5565 1 6 . 1 1 100 100 ASP C C 100 178.888 178.888 177.358 1.530 19945 5566 1 6 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.194 0.934 19945 5567 1 6 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.072 0.878 19945 5568 1 6 . 1 1 100 100 ASP H H 100 7.104 7.104 7.750 -0.646 19945 5569 1 6 . 1 1 101 101 ALA N N 101 118.631 118.631 121.781 -3.150 19945 5570 1 6 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.172 -0.021 19945 5571 1 6 . 1 1 101 101 ALA C C 101 178.600 178.600 179.195 -0.595 19945 5572 1 6 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.737 -0.340 19945 5573 1 6 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.635 0.175 19945 5574 1 6 . 1 1 101 101 ALA H H 101 8.716 8.716 7.762 0.954 19945 5575 1 6 . 1 1 102 102 LEU N N 102 115.083 115.083 119.781 -4.698 19945 5576 1 6 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.845 -0.231 19945 5577 1 6 . 1 1 102 102 LEU C C 102 179.573 179.573 179.097 0.476 19945 5578 1 6 . 1 1 102 102 LEU CA C 102 57.844 57.844 58.137 -0.293 19945 5579 1 6 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.397 1.317 19945 5580 1 6 . 1 1 102 102 LEU H H 102 7.171 7.171 7.482 -0.311 19945 5581 1 6 . 1 1 103 103 GLY N N 103 104.501 104.501 105.881 -1.380 19945 5582 1 6 . 1 1 103 103 GLY C C 103 175.145 175.145 175.858 -0.713 19945 5583 1 6 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.587 -0.879 19945 5584 1 6 . 1 1 103 103 GLY H H 103 7.365 7.365 7.818 -0.453 19945 5585 1 6 . 1 1 104 104 THR N N 104 118.860 118.860 118.942 -0.082 19945 5586 1 6 . 1 1 104 104 THR HA H 104 3.737 3.737 3.901 -0.164 19945 5587 1 6 . 1 1 104 104 THR C C 104 176.354 176.354 176.541 -0.187 19945 5588 1 6 . 1 1 104 104 THR CA C 104 65.799 65.799 66.789 -0.990 19945 5589 1 6 . 1 1 104 104 THR CB C 104 67.961 67.961 68.464 -0.503 19945 5590 1 6 . 1 1 104 104 THR H H 104 7.343 7.343 7.905 -0.562 19945 5591 1 6 . 1 1 105 105 ILE N N 105 118.663 118.663 121.230 -2.567 19945 5592 1 6 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.450 0.054 19945 5593 1 6 . 1 1 105 105 ILE C C 105 177.391 177.391 177.284 0.107 19945 5594 1 6 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.658 0.892 19945 5595 1 6 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.364 0.386 19945 5596 1 6 . 1 1 105 105 ILE H H 105 7.589 7.589 7.716 -0.127 19945 5597 1 6 . 1 1 106 106 ARG N N 106 126.041 126.041 120.114 5.927 19945 5598 1 6 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.811 -0.231 19945 5599 1 6 . 1 1 106 106 ARG C C 106 176.614 176.614 178.005 -1.391 19945 5600 1 6 . 1 1 106 106 ARG CA C 106 60.267 60.267 59.726 0.541 19945 5601 1 6 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.522 -2.206 19945 5602 1 6 . 1 1 106 106 ARG H H 106 7.307 7.307 8.242 -0.935 19945 5603 1 6 . 1 1 107 107 ASP N N 107 117.480 117.480 118.316 -0.836 19945 5604 1 6 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.448 -0.100 19945 5605 1 6 . 1 1 107 107 ASP C C 107 177.189 177.189 177.646 -0.457 19945 5606 1 6 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.866 -0.366 19945 5607 1 6 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.775 -1.101 19945 5608 1 6 . 1 1 107 107 ASP H H 107 8.202 8.202 7.938 0.264 19945 5609 1 6 . 1 1 108 108 ILE N N 108 117.715 117.715 118.100 -0.385 19945 5610 1 6 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.933 -0.077 19945 5611 1 6 . 1 1 108 108 ILE C C 108 178.427 178.427 177.680 0.747 19945 5612 1 6 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.533 0.444 19945 5613 1 6 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.937 0.514 19945 5614 1 6 . 1 1 108 108 ILE H H 108 7.107 7.107 7.461 -0.354 19945 5615 1 6 . 1 1 109 109 ILE N N 109 111.534 111.534 117.709 -6.175 19945 5616 1 6 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.527 0.208 19945 5617 1 6 . 1 1 109 109 ILE C C 109 177.305 177.305 177.201 0.104 19945 5618 1 6 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.322 0.284 19945 5619 1 6 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.305 0.106 19945 5620 1 6 . 1 1 109 109 ILE H H 109 7.501 7.501 8.210 -0.709 19945 5621 1 6 . 1 1 110 110 GLU N N 110 127.123 127.123 122.918 4.205 19945 5622 1 6 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.200 0.098 19945 5623 1 6 . 1 1 110 110 GLU C C 110 177.391 177.391 177.073 0.318 19945 5624 1 6 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.492 1.839 19945 5625 1 6 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.383 -0.535 19945 5626 1 6 . 1 1 110 110 GLU H H 110 8.867 8.867 8.261 0.606 19945 5627 1 6 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.348 0.268 19945 5628 1 6 . 1 1 111 111 PRO C C 111 177.417 177.417 177.845 -0.428 19945 5629 1 6 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.808 0.427 19945 5630 1 6 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.196 -0.161 19945 5631 1 6 . 1 1 112 112 ARG N N 112 114.612 114.612 116.530 -1.918 19945 5632 1 6 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.464 0.104 19945 5633 1 6 . 1 1 112 112 ARG C C 112 175.792 175.792 176.600 -0.808 19945 5634 1 6 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.187 0.554 19945 5635 1 6 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.879 0.625 19945 5636 1 6 . 1 1 112 112 ARG H H 112 6.542 6.542 7.508 -0.966 19945 5637 1 6 . 1 1 113 113 GLY N N 113 106.474 106.474 105.916 0.558 19945 5638 1 6 . 1 1 113 113 GLY C C 113 174.347 174.347 173.798 0.549 19945 5639 1 6 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.005 0.635 19945 5640 1 6 . 1 1 113 113 GLY H H 113 7.845 7.845 8.166 -0.321 19945 5641 1 6 . 1 1 114 114 ALA N N 114 122.280 122.280 124.115 -1.835 19945 5642 1 6 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.805 -0.526 19945 5643 1 6 . 1 1 114 114 ALA C C 114 176.785 176.785 177.074 -0.289 19945 5644 1 6 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.407 0.984 19945 5645 1 6 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.605 0.007 19945 5646 1 6 . 1 1 114 114 ALA H H 114 7.535 7.535 8.057 -0.522 19945 5647 1 6 . 1 1 115 115 THR N N 115 120.909 120.909 119.123 1.786 19945 5648 1 6 . 1 1 115 115 THR HA H 115 4.478 4.478 4.671 -0.194 19945 5649 1 6 . 1 1 115 115 THR C C 115 172.963 172.963 173.465 -0.502 19945 5650 1 6 . 1 1 115 115 THR CA C 115 62.825 62.825 61.853 0.972 19945 5651 1 6 . 1 1 115 115 THR CB C 115 69.501 69.501 69.856 -0.355 19945 5652 1 6 . 1 1 115 115 THR H H 115 7.902 7.902 8.755 -0.853 19945 5653 1 6 . 1 1 116 116 ILE N N 116 129.162 129.162 127.805 1.357 19945 5654 1 6 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.026 0.271 19945 5655 1 6 . 1 1 116 116 ILE C C 116 177.056 177.056 176.292 0.764 19945 5656 1 6 . 1 1 116 116 ILE CA C 116 60.523 60.523 58.829 1.694 19945 5657 1 6 . 1 1 116 116 ILE CB C 116 38.300 38.300 37.671 0.629 19945 5658 1 6 . 1 1 116 116 ILE H H 116 8.784 8.784 8.785 -0.001 19945 5659 1 6 . 1 1 117 117 VAL N N 117 122.981 122.981 120.256 2.725 19945 5660 1 6 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.498 0.096 19945 5661 1 6 . 1 1 117 117 VAL C C 117 175.190 175.190 175.901 -0.711 19945 5662 1 6 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.624 -0.695 19945 5663 1 6 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.487 -2.123 19945 5664 1 6 . 1 1 117 117 VAL H H 117 8.812 8.812 8.706 0.106 19945 5665 1 6 . 1 1 118 118 GLY N N 118 108.558 108.558 107.800 0.758 19945 5666 1 6 . 1 1 118 118 GLY C C 118 175.792 175.792 174.559 1.233 19945 5667 1 6 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.677 2.069 19945 5668 1 6 . 1 1 118 118 GLY H H 118 9.297 9.297 8.954 0.343 19945 5669 1 6 . 1 1 119 119 HIS N N 119 118.402 118.402 118.953 -0.551 19945 5670 1 6 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.815 -0.043 19945 5671 1 6 . 1 1 119 119 HIS C C 119 175.866 175.866 175.393 0.473 19945 5672 1 6 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.073 -1.471 19945 5673 1 6 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.946 -1.090 19945 5674 1 6 . 1 1 119 119 HIS H H 119 8.901 8.901 8.204 0.697 19945 5675 1 6 . 1 1 120 120 TRP N N 120 124.300 124.300 127.510 -3.210 19945 5676 1 6 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.443 0.850 19945 5677 1 6 . 1 1 120 120 TRP C C 120 173.113 173.113 173.757 -0.644 19945 5678 1 6 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.019 -0.515 19945 5679 1 6 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.442 2.844 19945 5680 1 6 . 1 1 120 120 TRP H H 120 8.455 8.455 9.131 -0.676 19945 5681 1 6 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.914 0.683 19945 5682 1 6 . 1 1 121 121 PRO C C 121 176.243 176.243 176.631 -0.388 19945 5683 1 6 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.939 0.511 19945 5684 1 6 . 1 1 121 121 PRO CB C 121 32.097 32.097 31.868 0.229 19945 5685 1 6 . 1 1 122 122 THR N N 122 110.568 110.568 114.276 -3.708 19945 5686 1 6 . 1 1 122 122 THR HA H 122 4.232 4.232 3.850 0.382 19945 5687 1 6 . 1 1 122 122 THR C C 122 176.424 176.424 175.111 1.313 19945 5688 1 6 . 1 1 122 122 THR CA C 122 62.079 62.079 62.870 -0.791 19945 5689 1 6 . 1 1 122 122 THR CB C 122 68.758 68.758 68.893 -0.135 19945 5690 1 6 . 1 1 122 122 THR H H 122 7.560 7.560 8.126 -0.566 19945 5691 1 6 . 1 1 123 123 ALA N N 123 126.038 126.038 123.433 2.605 19945 5692 1 6 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.896 0.373 19945 5693 1 6 . 1 1 123 123 ALA C C 123 178.862 178.862 177.503 1.359 19945 5694 1 6 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.500 1.382 19945 5695 1 6 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.198 1.085 19945 5696 1 6 . 1 1 123 123 ALA H H 123 7.144 7.144 8.000 -0.856 19945 5697 1 6 . 1 1 124 124 GLY N N 124 111.468 111.468 106.527 4.941 19945 5698 1 6 . 1 1 124 124 GLY C C 124 173.775 173.775 174.645 -0.870 19945 5699 1 6 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.889 0.492 19945 5700 1 6 . 1 1 124 124 GLY H H 124 9.058 9.058 8.159 0.899 19945 5701 1 6 . 1 1 125 125 TYR N N 125 119.088 119.088 118.504 0.584 19945 5702 1 6 . 1 1 125 125 TYR HA H 125 4.942 4.942 3.941 1.001 19945 5703 1 6 . 1 1 125 125 TYR C C 125 175.581 175.581 174.140 1.441 19945 5704 1 6 . 1 1 125 125 TYR CA C 125 56.762 56.762 56.232 0.530 19945 5705 1 6 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.049 1.501 19945 5706 1 6 . 1 1 125 125 TYR H H 125 8.008 8.008 7.979 0.029 19945 5707 1 6 . 1 1 126 126 HIS N N 126 121.799 121.799 122.566 -0.767 19945 5708 1 6 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.221 0.792 19945 5709 1 6 . 1 1 126 126 HIS C C 126 171.969 171.969 172.723 -0.754 19945 5710 1 6 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.983 -0.836 19945 5711 1 6 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.591 -1.204 19945 5712 1 6 . 1 1 126 126 HIS H H 126 9.512 9.512 7.285 2.227 19945 5713 1 6 . 1 1 127 127 PHE N N 127 117.258 117.258 118.815 -1.557 19945 5714 1 6 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.714 0.209 19945 5715 1 6 . 1 1 127 127 PHE C C 127 172.722 172.722 176.559 -3.837 19945 5716 1 6 . 1 1 127 127 PHE CA C 127 55.300 55.300 54.961 0.339 19945 5717 1 6 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.817 -1.063 19945 5718 1 6 . 1 1 127 127 PHE H H 127 7.397 7.397 7.641 -0.244 19945 5719 1 6 . 1 1 128 128 GLU N N 128 120.484 120.484 120.727 -0.243 19945 5720 1 6 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.160 0.203 19945 5721 1 6 . 1 1 128 128 GLU C C 128 176.033 176.033 176.853 -0.820 19945 5722 1 6 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.142 -1.074 19945 5723 1 6 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.240 1.592 19945 5724 1 6 . 1 1 128 128 GLU H H 128 8.492 8.492 8.687 -0.195 19945 5725 1 6 . 1 1 129 129 ALA N N 129 123.500 123.500 119.433 4.067 19945 5726 1 6 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.744 -0.046 19945 5727 1 6 . 1 1 129 129 ALA C C 129 174.016 174.016 175.125 -1.109 19945 5728 1 6 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.050 0.404 19945 5729 1 6 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.848 0.155 19945 5730 1 6 . 1 1 129 129 ALA H H 129 9.155 9.155 8.214 0.941 19945 5731 1 6 . 1 1 130 130 SER N N 130 110.807 110.807 118.840 -8.033 19945 5732 1 6 . 1 1 130 130 SER HA H 130 4.942 4.942 5.285 -0.343 19945 5733 1 6 . 1 1 130 130 SER C C 130 176.665 176.665 174.909 1.756 19945 5734 1 6 . 1 1 130 130 SER CA C 130 57.471 57.471 57.614 -0.143 19945 5735 1 6 . 1 1 130 130 SER CB C 130 67.205 67.205 64.970 2.235 19945 5736 1 6 . 1 1 130 130 SER H H 130 8.101 8.101 8.943 -0.842 19945 5737 1 6 . 1 1 131 131 LYS N N 131 129.963 129.963 125.101 4.862 19945 5738 1 6 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.552 -0.103 19945 5739 1 6 . 1 1 131 131 LYS C C 131 176.533 176.533 177.704 -1.171 19945 5740 1 6 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.028 0.872 19945 5741 1 6 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.862 -0.233 19945 5742 1 6 . 1 1 131 131 LYS H H 131 9.690 9.690 8.831 0.859 19945 5743 1 6 . 1 1 132 132 GLY N N 132 107.870 107.870 107.668 0.202 19945 5744 1 6 . 1 1 132 132 GLY C C 132 173.354 173.354 173.523 -0.169 19945 5745 1 6 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.905 0.741 19945 5746 1 6 . 1 1 132 132 GLY H H 132 9.187 9.187 7.698 1.489 19945 5747 1 6 . 1 1 133 133 LEU N N 133 119.088 119.088 119.676 -0.588 19945 5748 1 6 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.092 0.551 19945 5749 1 6 . 1 1 133 133 LEU C C 133 177.748 177.748 176.431 1.317 19945 5750 1 6 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.846 -0.370 19945 5751 1 6 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.123 -1.619 19945 5752 1 6 . 1 1 133 133 LEU H H 133 7.098 7.098 7.391 -0.293 19945 5753 1 6 . 1 1 134 134 ALA N N 134 125.720 125.720 127.284 -1.564 19945 5754 1 6 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.535 -0.298 19945 5755 1 6 . 1 1 134 134 ALA C C 134 176.695 176.695 176.935 -0.240 19945 5756 1 6 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.392 -0.104 19945 5757 1 6 . 1 1 134 134 ALA CB C 134 19.612 19.612 21.220 -1.608 19945 5758 1 6 . 1 1 134 134 ALA H H 134 9.154 9.154 8.919 0.235 19945 5759 1 6 . 1 1 135 135 ASP N N 135 114.952 114.952 116.892 -1.940 19945 5760 1 6 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.797 -0.268 19945 5761 1 6 . 1 1 135 135 ASP C C 135 175.130 175.130 175.315 -0.185 19945 5762 1 6 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.318 -0.358 19945 5763 1 6 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.607 -3.079 19945 5764 1 6 . 1 1 135 135 ASP H H 135 8.299 8.299 7.960 0.339 19945 5765 1 6 . 1 1 136 136 ASP N N 136 114.870 114.870 122.030 -7.160 19945 5766 1 6 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.369 -0.034 19945 5767 1 6 . 1 1 136 136 ASP C C 136 176.303 176.303 177.066 -0.763 19945 5768 1 6 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.021 0.823 19945 5769 1 6 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.112 -0.248 19945 5770 1 6 . 1 1 136 136 ASP H H 136 8.433 8.433 8.678 -0.245 19945 5771 1 6 . 1 1 137 137 ASP N N 137 113.709 113.709 117.887 -4.178 19945 5772 1 6 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.643 0.188 19945 5773 1 6 . 1 1 137 137 ASP C C 137 176.514 176.514 175.123 1.391 19945 5774 1 6 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.955 -0.638 19945 5775 1 6 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.211 0.247 19945 5776 1 6 . 1 1 137 137 ASP H H 137 8.232 8.232 8.321 -0.089 19945 5777 1 6 . 1 1 138 138 HIS N N 138 117.829 117.829 117.598 0.231 19945 5778 1 6 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.966 0.316 19945 5779 1 6 . 1 1 138 138 HIS C C 138 175.130 175.130 173.786 1.344 19945 5780 1 6 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.429 1.170 19945 5781 1 6 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.510 -0.510 19945 5782 1 6 . 1 1 138 138 HIS H H 138 7.764 7.764 7.680 0.084 19945 5783 1 6 . 1 1 139 139 PHE N N 139 123.553 123.553 122.540 1.013 19945 5784 1 6 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.781 0.238 19945 5785 1 6 . 1 1 139 139 PHE C C 139 177.477 177.477 177.250 0.227 19945 5786 1 6 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.761 -0.202 19945 5787 1 6 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.616 3.256 19945 5788 1 6 . 1 1 139 139 PHE H H 139 9.955 9.955 9.495 0.460 19945 5789 1 6 . 1 1 140 140 VAL N N 140 119.420 119.420 120.441 -1.021 19945 5790 1 6 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.274 -0.596 19945 5791 1 6 . 1 1 140 140 VAL C C 140 173.023 173.023 175.468 -2.445 19945 5792 1 6 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.641 -1.524 19945 5793 1 6 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.676 -0.140 19945 5794 1 6 . 1 1 140 140 VAL H H 140 9.178 9.178 8.907 0.271 19945 5795 1 6 . 1 1 141 141 GLY N N 141 105.680 105.680 103.478 2.202 19945 5796 1 6 . 1 1 141 141 GLY C C 141 171.284 171.284 172.481 -1.197 19945 5797 1 6 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.481 0.240 19945 5798 1 6 . 1 1 141 141 GLY H H 141 6.837 6.837 7.494 -0.657 19945 5799 1 6 . 1 1 142 142 LEU N N 142 118.516 118.516 121.965 -3.449 19945 5800 1 6 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.683 -0.636 19945 5801 1 6 . 1 1 142 142 LEU C C 142 173.725 173.725 174.285 -0.560 19945 5802 1 6 . 1 1 142 142 LEU CA C 142 55.704 55.704 53.711 1.993 19945 5803 1 6 . 1 1 142 142 LEU CB C 142 38.739 38.739 39.449 -0.710 19945 5804 1 6 . 1 1 142 142 LEU H H 142 7.423 7.423 7.704 -0.281 19945 5805 1 6 . 1 1 143 143 ALA N N 143 128.382 128.382 130.367 -1.985 19945 5806 1 6 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.853 -0.379 19945 5807 1 6 . 1 1 143 143 ALA C C 143 175.685 175.685 175.683 0.002 19945 5808 1 6 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.677 -1.046 19945 5809 1 6 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.627 0.220 19945 5810 1 6 . 1 1 143 143 ALA H H 143 5.414 5.414 7.960 -2.546 19945 5811 1 6 . 1 1 144 144 ILE N N 144 126.754 126.754 122.807 3.947 19945 5812 1 6 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.550 -0.235 19945 5813 1 6 . 1 1 144 144 ILE C C 144 173.725 173.725 173.568 0.157 19945 5814 1 6 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.486 -3.765 19945 5815 1 6 . 1 1 144 144 ILE CB C 144 37.630 37.630 41.254 -3.624 19945 5816 1 6 . 1 1 144 144 ILE H H 144 8.849 8.849 8.289 0.560 19945 5817 1 6 . 1 1 145 145 ASP N N 145 125.518 125.518 126.711 -1.193 19945 5818 1 6 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.803 0.993 19945 5819 1 6 . 1 1 145 145 ASP C C 145 176.830 176.830 174.365 2.465 19945 5820 1 6 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.230 -0.677 19945 5821 1 6 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.944 -0.442 19945 5822 1 6 . 1 1 145 145 ASP H H 145 8.088 8.088 8.602 -0.514 19945 5823 1 6 . 1 1 146 146 GLU N N 146 125.475 125.475 120.690 4.785 19945 5824 1 6 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.427 0.236 19945 5825 1 6 . 1 1 146 146 GLU C C 146 177.132 177.132 174.917 2.215 19945 5826 1 6 . 1 1 146 146 GLU CA C 146 56.273 56.273 57.085 -0.812 19945 5827 1 6 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.412 -0.162 19945 5828 1 6 . 1 1 146 146 GLU H H 146 8.390 8.390 8.325 0.065 19945 5829 1 6 . 1 1 147 147 ASP N N 147 120.137 120.137 119.701 0.436 19945 5830 1 6 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.638 -0.071 19945 5831 1 6 . 1 1 147 147 ASP C C 147 178.126 178.126 174.999 3.127 19945 5832 1 6 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.451 3.550 19945 5833 1 6 . 1 1 147 147 ASP CB C 147 43.250 43.250 41.476 1.774 19945 5834 1 6 . 1 1 147 147 ASP H H 147 8.599 8.599 7.696 0.903 19945 5835 1 6 . 1 1 148 148 ARG N N 148 115.655 115.655 121.745 -6.090 19945 5836 1 6 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.787 0.911 19945 5837 1 6 . 1 1 148 148 ARG C C 148 177.704 177.704 175.211 2.493 19945 5838 1 6 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.762 -3.802 19945 5839 1 6 . 1 1 148 148 ARG CB C 148 30.814 30.814 27.496 3.318 19945 5840 1 6 . 1 1 148 148 ARG H H 148 9.762 9.762 8.794 0.968 19945 5841 1 6 . 1 1 149 149 GLN N N 149 116.313 116.313 114.131 2.182 19945 5842 1 6 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.934 1.365 19945 5843 1 6 . 1 1 149 149 GLN C C 149 175.142 175.142 173.928 1.214 19945 5844 1 6 . 1 1 149 149 GLN CA C 149 53.401 53.401 55.467 -2.066 19945 5845 1 6 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.804 3.037 19945 5846 1 6 . 1 1 149 149 GLN H H 149 7.622 7.622 8.120 -0.498 19945 5847 1 6 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.507 0.174 19945 5848 1 6 . 1 1 150 150 PRO C C 150 179.483 179.483 175.766 3.717 19945 5849 1 6 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.910 2.416 19945 5850 1 6 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.152 -1.500 19945 5851 1 6 . 1 1 151 151 GLU N N 151 122.981 122.981 118.061 4.920 19945 5852 1 6 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.401 -0.000 19945 5853 1 6 . 1 1 151 151 GLU C C 151 177.041 177.041 175.672 1.369 19945 5854 1 6 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.198 3.200 19945 5855 1 6 . 1 1 151 151 GLU CB C 151 27.582 27.582 32.025 -4.443 19945 5856 1 6 . 1 1 151 151 GLU H H 151 10.520 10.520 8.049 2.471 19945 5857 1 6 . 1 1 152 152 LEU N N 152 120.119 120.119 117.165 2.954 19945 5858 1 6 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.014 0.677 19945 5859 1 6 . 1 1 152 152 LEU C C 152 177.222 177.222 176.805 0.417 19945 5860 1 6 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.631 -1.322 19945 5861 1 6 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.015 1.920 19945 5862 1 6 . 1 1 152 152 LEU H H 152 7.589 7.589 8.705 -1.116 19945 5863 1 6 . 1 1 153 153 THR N N 153 119.637 119.637 115.296 4.341 19945 5864 1 6 . 1 1 153 153 THR HA H 153 3.592 3.592 3.962 -0.370 19945 5865 1 6 . 1 1 153 153 THR C C 153 174.178 174.178 175.996 -1.818 19945 5866 1 6 . 1 1 153 153 THR CA C 153 67.960 67.960 66.212 1.748 19945 5867 1 6 . 1 1 153 153 THR CB C 153 69.023 69.023 68.743 0.280 19945 5868 1 6 . 1 1 153 153 THR H H 153 7.469 7.469 8.300 -0.831 19945 5869 1 6 . 1 1 154 154 ALA N N 154 123.665 123.665 123.367 0.298 19945 5870 1 6 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.104 -0.216 19945 5871 1 6 . 1 1 154 154 ALA C C 154 180.417 180.417 179.429 0.988 19945 5872 1 6 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.159 1.379 19945 5873 1 6 . 1 1 154 154 ALA CB C 154 17.222 17.222 17.963 -0.741 19945 5874 1 6 . 1 1 154 154 ALA H H 154 9.077 9.077 8.381 0.696 19945 5875 1 6 . 1 1 155 155 GLU N N 155 119.661 119.661 118.408 1.253 19945 5876 1 6 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.104 0.148 19945 5877 1 6 . 1 1 155 155 GLU C C 155 178.518 178.518 179.127 -0.609 19945 5878 1 6 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.210 -0.392 19945 5879 1 6 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.000 0.707 19945 5880 1 6 . 1 1 155 155 GLU H H 155 8.647 8.647 8.711 -0.064 19945 5881 1 6 . 1 1 156 156 ARG N N 156 120.739 120.739 120.111 0.628 19945 5882 1 6 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.252 -0.034 19945 5883 1 6 . 1 1 156 156 ARG C C 156 177.252 177.252 179.009 -1.757 19945 5884 1 6 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.367 1.102 19945 5885 1 6 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.468 0.555 19945 5886 1 6 . 1 1 156 156 ARG H H 156 8.129 8.129 7.913 0.216 19945 5887 1 6 . 1 1 157 157 VAL N N 157 117.372 117.372 117.017 0.355 19945 5888 1 6 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.738 -0.419 19945 5889 1 6 . 1 1 157 157 VAL C C 157 177.192 177.192 177.738 -0.546 19945 5890 1 6 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.238 1.162 19945 5891 1 6 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.326 0.506 19945 5892 1 6 . 1 1 157 157 VAL H H 157 8.578 8.578 8.503 0.075 19945 5893 1 6 . 1 1 158 158 GLU N N 158 118.631 118.631 121.927 -3.296 19945 5894 1 6 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.055 0.142 19945 5895 1 6 . 1 1 158 158 GLU C C 158 179.995 179.995 179.045 0.950 19945 5896 1 6 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.911 -0.173 19945 5897 1 6 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.258 -0.081 19945 5898 1 6 . 1 1 158 158 GLU H H 158 8.046 8.046 7.980 0.066 19945 5899 1 6 . 1 1 159 159 LYS N N 159 118.860 118.860 119.669 -0.809 19945 5900 1 6 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.129 0.057 19945 5901 1 6 . 1 1 159 159 LYS C C 159 179.844 179.844 179.476 0.368 19945 5902 1 6 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.473 0.522 19945 5903 1 6 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.655 1.037 19945 5904 1 6 . 1 1 159 159 LYS H H 159 8.522 8.522 8.372 0.150 19945 5905 1 6 . 1 1 160 160 TRP N N 160 125.100 125.100 121.410 3.690 19945 5906 1 6 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.888 -0.518 19945 5907 1 6 . 1 1 160 160 TRP C C 160 178.006 178.006 178.237 -0.231 19945 5908 1 6 . 1 1 160 160 TRP CA C 160 62.814 62.814 60.407 2.407 19945 5909 1 6 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.733 -0.941 19945 5910 1 6 . 1 1 160 160 TRP H H 160 9.076 9.076 8.332 0.744 19945 5911 1 6 . 1 1 161 161 VAL N N 161 118.402 118.402 119.019 -0.617 19945 5912 1 6 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.125 0.245 19945 5913 1 6 . 1 1 161 161 VAL C C 161 179.392 179.392 178.480 0.912 19945 5914 1 6 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.400 0.604 19945 5915 1 6 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.079 -0.730 19945 5916 1 6 . 1 1 161 161 VAL H H 161 9.024 9.024 8.399 0.625 19945 5917 1 6 . 1 1 162 162 LYS N N 162 123.209 123.209 119.734 3.475 19945 5918 1 6 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.891 0.111 19945 5919 1 6 . 1 1 162 162 LYS C C 162 178.759 178.759 178.731 0.028 19945 5920 1 6 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.863 0.509 19945 5921 1 6 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.009 0.355 19945 5922 1 6 . 1 1 162 162 LYS H H 162 7.820 7.820 8.274 -0.454 19945 5923 1 6 . 1 1 163 163 GLN N N 163 121.722 121.722 118.061 3.661 19945 5924 1 6 . 1 1 163 163 GLN HA H 163 4.190 4.190 3.994 0.196 19945 5925 1 6 . 1 1 163 163 GLN C C 163 179.935 179.935 178.525 1.410 19945 5926 1 6 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.885 0.841 19945 5927 1 6 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.866 0.156 19945 5928 1 6 . 1 1 163 163 GLN H H 163 8.126 8.126 7.524 0.602 19945 5929 1 6 . 1 1 164 164 ILE N N 164 114.390 114.390 116.531 -2.141 19945 5930 1 6 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.819 0.171 19945 5931 1 6 . 1 1 164 164 ILE C C 164 178.156 178.156 177.815 0.341 19945 5932 1 6 . 1 1 164 164 ILE CA C 164 65.176 65.176 63.937 1.239 19945 5933 1 6 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.350 0.328 19945 5934 1 6 . 1 1 164 164 ILE H H 164 9.110 9.110 7.255 1.855 19945 5935 1 6 . 1 1 165 165 SER N N 165 119.660 119.660 116.647 3.013 19945 5936 1 6 . 1 1 165 165 SER HA H 165 3.976 3.976 4.038 -0.062 19945 5937 1 6 . 1 1 165 165 SER C C 165 176.438 176.438 176.547 -0.109 19945 5938 1 6 . 1 1 165 165 SER CA C 165 63.180 63.180 62.741 0.439 19945 5939 1 6 . 1 1 165 165 SER CB C 165 62.383 62.383 62.681 -0.298 19945 5940 1 6 . 1 1 165 165 SER H H 165 8.278 8.278 8.434 -0.157 19945 5941 1 6 . 1 1 166 166 GLU N N 166 122.290 122.290 121.511 0.779 19945 5942 1 6 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.247 -0.037 19945 5943 1 6 . 1 1 166 166 GLU C C 166 179.965 179.965 179.228 0.737 19945 5944 1 6 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.833 0.362 19945 5945 1 6 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.695 -0.451 19945 5946 1 6 . 1 1 166 166 GLU H H 166 7.345 7.345 7.717 -0.372 19945 5947 1 6 . 1 1 167 167 GLU N N 167 120.787 120.787 120.639 0.148 19945 5948 1 6 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.106 -0.167 19945 5949 1 6 . 1 1 167 167 GLU C C 167 178.518 178.518 178.319 0.199 19945 5950 1 6 . 1 1 167 167 GLU CA C 167 60.000 60.000 59.022 0.978 19945 5951 1 6 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.951 0.849 19945 5952 1 6 . 1 1 167 167 GLU H H 167 8.413 8.413 8.078 0.335 19945 5953 1 6 . 1 1 168 168 LEU N N 168 115.420 115.420 116.450 -1.030 19945 5954 1 6 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.396 -0.259 19945 5955 1 6 . 1 1 168 168 LEU C C 168 175.896 175.896 175.447 0.449 19945 5956 1 6 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.223 0.557 19945 5957 1 6 . 1 1 168 168 LEU CB C 168 43.300 43.300 41.692 1.608 19945 5958 1 6 . 1 1 168 168 LEU H H 168 8.553 8.553 7.981 0.572 19945 5959 1 6 . 1 1 169 169 HIS N N 169 113.347 113.347 111.403 1.944 19945 5960 1 6 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.266 0.085 19945 5961 1 6 . 1 1 169 169 HIS C C 169 175.835 175.835 176.011 -0.176 19945 5962 1 6 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.771 -0.498 19945 5963 1 6 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.547 -0.824 19945 5964 1 6 . 1 1 169 169 HIS H H 169 7.550 7.550 7.455 0.096 19945 5965 1 6 . 1 1 170 170 LEU N N 170 117.250 117.250 118.821 -1.571 19945 5966 1 6 . 1 1 170 170 LEU HA H 170 4.003 4.003 3.981 0.022 19945 5967 1 6 . 1 1 170 170 LEU C C 170 178.096 178.096 178.048 0.048 19945 5968 1 6 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.644 1.325 19945 5969 1 6 . 1 1 170 170 LEU CB C 170 41.858 41.858 40.801 1.057 19945 5970 1 6 . 1 1 170 170 LEU H H 170 8.069 8.069 7.670 0.399 19945 5971 1 6 . 1 1 171 171 ASP N N 171 117.300 117.300 120.415 -3.115 19945 5972 1 6 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.225 0.110 19945 5973 1 6 . 1 1 171 171 ASP C C 171 177.915 177.915 177.884 0.031 19945 5974 1 6 . 1 1 171 171 ASP CA C 171 56.690 56.690 57.863 -1.173 19945 5975 1 6 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.775 -0.715 19945 5976 1 6 . 1 1 171 171 ASP H H 171 8.732 8.732 8.500 0.232 19945 5977 1 6 . 1 1 172 172 GLU N N 172 119.203 119.203 116.365 2.838 19945 5978 1 6 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.237 -0.010 19945 5979 1 6 . 1 1 172 172 GLU C C 172 178.277 178.277 177.295 0.982 19945 5980 1 6 . 1 1 172 172 GLU CA C 172 58.132 58.132 57.502 0.630 19945 5981 1 6 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.776 0.224 19945 5982 1 6 . 1 1 172 172 GLU H H 172 7.804 7.804 7.752 0.052 19945 5983 1 6 . 1 1 173 173 ILE N N 173 119.519 119.519 117.347 2.172 19945 5984 1 6 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.127 -0.074 19945 5985 1 6 . 1 1 173 173 ILE C C 173 178.006 178.006 177.894 0.112 19945 5986 1 6 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.368 0.232 19945 5987 1 6 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.389 -0.389 19945 5988 1 6 . 1 1 173 173 ILE H H 173 7.787 7.787 7.639 0.148 19945 5989 1 6 . 1 1 174 174 LEU N N 174 121.260 121.260 117.811 3.449 19945 5990 1 6 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.318 -0.032 19945 5991 1 6 . 1 1 174 174 LEU C C 174 177.704 177.704 177.398 0.306 19945 5992 1 6 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.309 -1.036 19945 5993 1 6 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.492 -0.033 19945 5994 1 6 . 1 1 174 174 LEU H H 174 8.241 8.241 8.465 -0.224 19945 5995 1 6 . 1 1 175 175 ASN N N 175 118.280 118.280 117.711 0.569 19945 5996 1 6 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.826 0.003 19945 5997 1 6 . 1 1 175 175 ASN C C 175 173.846 173.846 174.842 -0.996 19945 5998 1 6 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.698 1.524 19945 5999 1 6 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.315 -0.044 19945 6000 1 6 . 1 1 175 175 ASN H H 175 7.883 7.883 8.064 -0.181 19945 6001 1 7 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.834 -0.582 19945 6002 1 7 . 1 1 2 2 ALA C C 2 174.479 174.479 178.095 -3.616 19945 6003 1 7 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.572 1.896 19945 6004 1 7 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.228 -1.061 19945 6005 1 7 . 1 1 3 3 ILE N N 3 116.571 116.571 114.332 2.239 19945 6006 1 7 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.343 0.202 19945 6007 1 7 . 1 1 3 3 ILE C C 3 175.806 175.806 175.828 -0.022 19945 6008 1 7 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.319 0.876 19945 6009 1 7 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.597 0.813 19945 6010 1 7 . 1 1 3 3 ILE H H 3 8.456 8.456 8.089 0.367 19945 6011 1 7 . 1 1 4 4 THR N N 4 115.734 115.734 117.945 -2.211 19945 6012 1 7 . 1 1 4 4 THR HA H 4 5.124 5.124 5.117 0.007 19945 6013 1 7 . 1 1 4 4 THR C C 4 172.410 172.410 173.696 -1.286 19945 6014 1 7 . 1 1 4 4 THR CA C 4 61.724 61.724 61.326 0.398 19945 6015 1 7 . 1 1 4 4 THR CB C 4 70.059 70.059 70.492 -0.433 19945 6016 1 7 . 1 1 4 4 THR H H 4 8.244 8.244 8.108 0.136 19945 6017 1 7 . 1 1 5 5 GLY N N 5 116.016 116.016 112.584 3.432 19945 6018 1 7 . 1 1 5 5 GLY C C 5 171.077 171.077 172.363 -1.286 19945 6019 1 7 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.134 0.375 19945 6020 1 7 . 1 1 5 5 GLY H H 5 8.554 8.554 8.885 -0.331 19945 6021 1 7 . 1 1 6 6 ILE N N 6 126.504 126.504 126.614 -0.110 19945 6022 1 7 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.924 0.527 19945 6023 1 7 . 1 1 6 6 ILE C C 6 175.245 175.245 174.550 0.695 19945 6024 1 7 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.036 -1.118 19945 6025 1 7 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.971 -0.763 19945 6026 1 7 . 1 1 6 6 ILE H H 6 8.719 8.719 9.034 -0.315 19945 6027 1 7 . 1 1 7 7 PHE N N 7 127.559 127.559 127.377 0.182 19945 6028 1 7 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.645 -0.032 19945 6029 1 7 . 1 1 7 7 PHE C C 7 174.634 174.634 174.933 -0.299 19945 6030 1 7 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.105 -0.442 19945 6031 1 7 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.654 0.034 19945 6032 1 7 . 1 1 7 7 PHE H H 7 9.609 9.609 9.433 0.176 19945 6033 1 7 . 1 1 8 8 PHE N N 8 120.006 120.006 121.222 -1.216 19945 6034 1 7 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.392 0.832 19945 6035 1 7 . 1 1 8 8 PHE C C 8 171.212 171.212 174.331 -3.119 19945 6036 1 7 . 1 1 8 8 PHE CA C 8 54.679 54.679 54.959 -0.280 19945 6037 1 7 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.586 1.935 19945 6038 1 7 . 1 1 8 8 PHE H H 8 8.545 8.545 8.925 -0.380 19945 6039 1 7 . 1 1 9 9 GLY N N 9 109.650 109.650 110.677 -1.027 19945 6040 1 7 . 1 1 9 9 GLY C C 9 172.512 172.512 172.637 -0.125 19945 6041 1 7 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.777 0.541 19945 6042 1 7 . 1 1 9 9 GLY H H 9 7.701 7.701 8.026 -0.325 19945 6043 1 7 . 1 1 10 10 SER N N 10 115.953 115.953 115.888 0.065 19945 6044 1 7 . 1 1 10 10 SER HA H 10 5.001 5.001 4.738 0.263 19945 6045 1 7 . 1 1 10 10 SER C C 10 173.439 173.439 173.214 0.225 19945 6046 1 7 . 1 1 10 10 SER CA C 10 58.308 58.308 58.046 0.262 19945 6047 1 7 . 1 1 10 10 SER CB C 10 66.423 66.423 66.827 -0.404 19945 6048 1 7 . 1 1 10 10 SER H H 10 8.634 8.634 8.017 0.617 19945 6049 1 7 . 1 1 11 11 ASP N N 11 104.000 104.000 121.070 -17.070 19945 6050 1 7 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.509 0.465 19945 6051 1 7 . 1 1 11 11 ASP C C 11 179.108 179.108 177.175 1.933 19945 6052 1 7 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.676 -0.127 19945 6053 1 7 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.171 -1.071 19945 6054 1 7 . 1 1 11 11 ASP H H 11 11.201 11.201 8.834 2.367 19945 6055 1 7 . 1 1 12 12 THR N N 12 112.000 112.000 113.763 -1.763 19945 6056 1 7 . 1 1 12 12 THR HA H 12 4.804 4.804 4.329 0.475 19945 6057 1 7 . 1 1 12 12 THR C C 12 175.080 175.080 176.002 -0.922 19945 6058 1 7 . 1 1 12 12 THR CA C 12 60.237 60.237 62.743 -2.506 19945 6059 1 7 . 1 1 12 12 THR CB C 12 68.567 68.567 69.003 -0.436 19945 6060 1 7 . 1 1 12 12 THR H H 12 9.311 9.311 8.173 1.138 19945 6061 1 7 . 1 1 13 13 GLY N N 13 112.221 112.221 109.571 2.650 19945 6062 1 7 . 1 1 13 13 GLY C C 13 176.690 176.690 175.038 1.652 19945 6063 1 7 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.862 1.438 19945 6064 1 7 . 1 1 13 13 GLY H H 13 8.000 8.000 8.385 -0.385 19945 6065 1 7 . 1 1 14 14 ASN N N 14 128.520 128.520 118.749 9.771 19945 6066 1 7 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.538 0.088 19945 6067 1 7 . 1 1 14 14 ASN C C 14 178.888 178.888 176.976 1.912 19945 6068 1 7 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.296 1.768 19945 6069 1 7 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.556 -1.722 19945 6070 1 7 . 1 1 14 14 ASN H H 14 11.112 11.112 8.525 2.587 19945 6071 1 7 . 1 1 15 15 THR N N 15 122.550 122.550 116.331 6.219 19945 6072 1 7 . 1 1 15 15 THR HA H 15 4.369 4.369 4.071 0.298 19945 6073 1 7 . 1 1 15 15 THR C C 15 176.786 176.786 175.635 1.151 19945 6074 1 7 . 1 1 15 15 THR CA C 15 67.325 67.325 65.722 1.603 19945 6075 1 7 . 1 1 15 15 THR CB C 15 67.961 67.961 68.153 -0.192 19945 6076 1 7 . 1 1 15 15 THR H H 15 11.327 11.327 7.781 3.546 19945 6077 1 7 . 1 1 16 16 GLU N N 16 120.578 120.578 122.307 -1.729 19945 6078 1 7 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.660 -0.373 19945 6079 1 7 . 1 1 16 16 GLU C C 16 176.642 176.642 177.860 -1.218 19945 6080 1 7 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.571 -0.502 19945 6081 1 7 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.024 -0.647 19945 6082 1 7 . 1 1 16 16 GLU H H 16 6.590 6.590 7.828 -1.238 19945 6083 1 7 . 1 1 17 17 ASN N N 17 118.000 118.000 118.086 -0.086 19945 6084 1 7 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.427 -0.117 19945 6085 1 7 . 1 1 17 17 ASN C C 17 178.255 178.255 177.672 0.583 19945 6086 1 7 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.834 0.467 19945 6087 1 7 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.983 -0.345 19945 6088 1 7 . 1 1 17 17 ASN H H 17 7.705 7.705 7.615 0.090 19945 6089 1 7 . 1 1 18 18 ILE N N 18 119.430 119.430 120.256 -0.826 19945 6090 1 7 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.580 0.072 19945 6091 1 7 . 1 1 18 18 ILE C C 18 177.564 177.564 177.809 -0.245 19945 6092 1 7 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.646 -1.146 19945 6093 1 7 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.517 -1.966 19945 6094 1 7 . 1 1 18 18 ILE H H 18 8.141 8.141 7.254 0.887 19945 6095 1 7 . 1 1 19 19 ALA N N 19 123.208 123.208 122.279 0.929 19945 6096 1 7 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.878 -0.209 19945 6097 1 7 . 1 1 19 19 ALA C C 19 178.888 178.888 179.588 -0.700 19945 6098 1 7 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.468 0.187 19945 6099 1 7 . 1 1 19 19 ALA CB C 19 18.815 18.815 17.980 0.836 19945 6100 1 7 . 1 1 19 19 ALA H H 19 8.304 8.304 8.454 -0.150 19945 6101 1 7 . 1 1 20 20 LYS N N 20 116.460 116.460 118.917 -2.457 19945 6102 1 7 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.982 -0.166 19945 6103 1 7 . 1 1 20 20 LYS C C 20 179.666 179.666 179.071 0.595 19945 6104 1 7 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.402 0.420 19945 6105 1 7 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.340 -0.242 19945 6106 1 7 . 1 1 20 20 LYS H H 20 7.722 7.722 8.013 -0.291 19945 6107 1 7 . 1 1 21 21 MET N N 21 123.880 123.880 118.875 5.005 19945 6108 1 7 . 1 1 21 21 MET HA H 21 3.946 3.946 4.069 -0.123 19945 6109 1 7 . 1 1 21 21 MET C C 21 179.435 179.435 178.781 0.654 19945 6110 1 7 . 1 1 21 21 MET CA C 21 59.662 59.662 59.133 0.529 19945 6111 1 7 . 1 1 21 21 MET CB C 21 34.262 34.262 32.584 1.679 19945 6112 1 7 . 1 1 21 21 MET H H 21 8.336 8.336 8.129 0.207 19945 6113 1 7 . 1 1 22 22 ILE N N 22 122.065 122.065 120.947 1.118 19945 6114 1 7 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.501 -0.256 19945 6115 1 7 . 1 1 22 22 ILE C C 22 177.592 177.592 177.664 -0.072 19945 6116 1 7 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.705 0.019 19945 6117 1 7 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.595 0.082 19945 6118 1 7 . 1 1 22 22 ILE H H 22 8.500 8.500 8.243 0.257 19945 6119 1 7 . 1 1 23 23 GLN N N 23 119.264 119.264 119.679 -0.415 19945 6120 1 7 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.853 -0.409 19945 6121 1 7 . 1 1 23 23 GLN C C 23 177.017 177.017 178.128 -1.111 19945 6122 1 7 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.321 0.370 19945 6123 1 7 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.696 -0.848 19945 6124 1 7 . 1 1 23 23 GLN H H 23 7.985 7.985 8.398 -0.413 19945 6125 1 7 . 1 1 24 24 LYS N N 24 118.970 118.970 118.865 0.105 19945 6126 1 7 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.995 -0.075 19945 6127 1 7 . 1 1 24 24 LYS C C 24 178.427 178.427 178.983 -0.556 19945 6128 1 7 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.622 0.538 19945 6129 1 7 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.077 0.287 19945 6130 1 7 . 1 1 24 24 LYS H H 24 7.942 7.942 8.292 -0.350 19945 6131 1 7 . 1 1 25 25 GLN N N 25 118.400 118.400 117.351 1.049 19945 6132 1 7 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.089 -0.086 19945 6133 1 7 . 1 1 25 25 GLN C C 25 178.226 178.226 177.647 0.579 19945 6134 1 7 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.990 0.093 19945 6135 1 7 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.062 -0.152 19945 6136 1 7 . 1 1 25 25 GLN H H 25 7.636 7.636 7.560 0.076 19945 6137 1 7 . 1 1 26 26 LEU N N 26 119.080 119.080 117.013 2.067 19945 6138 1 7 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.144 -0.125 19945 6139 1 7 . 1 1 26 26 LEU C C 26 177.247 177.247 176.577 0.670 19945 6140 1 7 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.992 1.077 19945 6141 1 7 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.038 0.111 19945 6142 1 7 . 1 1 26 26 LEU H H 26 8.098 8.098 7.776 0.322 19945 6143 1 7 . 1 1 27 27 GLY N N 27 107.750 107.750 104.569 3.181 19945 6144 1 7 . 1 1 27 27 GLY C C 27 175.231 175.231 174.730 0.501 19945 6145 1 7 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.707 -0.647 19945 6146 1 7 . 1 1 27 27 GLY H H 27 8.050 8.050 7.871 0.179 19945 6147 1 7 . 1 1 28 28 LYS N N 28 125.187 125.187 123.292 1.895 19945 6148 1 7 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.203 0.020 19945 6149 1 7 . 1 1 28 28 LYS C C 28 176.372 176.372 177.054 -0.682 19945 6150 1 7 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.165 0.764 19945 6151 1 7 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.284 -0.186 19945 6152 1 7 . 1 1 28 28 LYS H H 28 8.786 8.786 8.575 0.211 19945 6153 1 7 . 1 1 29 29 ASP N N 29 115.960 115.960 116.469 -0.509 19945 6154 1 7 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.551 0.024 19945 6155 1 7 . 1 1 29 29 ASP C C 29 176.437 176.437 177.675 -1.238 19945 6156 1 7 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.345 -1.135 19945 6157 1 7 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.718 -0.916 19945 6158 1 7 . 1 1 29 29 ASP H H 29 8.919 8.919 8.414 0.505 19945 6159 1 7 . 1 1 30 30 VAL N N 30 120.609 120.609 117.834 2.775 19945 6160 1 7 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.027 0.029 19945 6161 1 7 . 1 1 30 30 VAL C C 30 174.656 174.656 175.129 -0.473 19945 6162 1 7 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.272 0.448 19945 6163 1 7 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.418 0.420 19945 6164 1 7 . 1 1 30 30 VAL H H 30 7.573 7.573 7.515 0.058 19945 6165 1 7 . 1 1 31 31 ALA N N 31 123.100 123.100 119.776 3.324 19945 6166 1 7 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.203 0.328 19945 6167 1 7 . 1 1 31 31 ALA C C 31 175.174 175.174 174.797 0.377 19945 6168 1 7 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.620 -0.458 19945 6169 1 7 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.739 0.592 19945 6170 1 7 . 1 1 31 31 ALA H H 31 7.951 7.951 8.157 -0.206 19945 6171 1 7 . 1 1 32 32 ASP N N 32 121.576 121.576 120.096 1.480 19945 6172 1 7 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.049 -0.180 19945 6173 1 7 . 1 1 32 32 ASP C C 32 174.771 174.771 174.266 0.505 19945 6174 1 7 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.807 0.605 19945 6175 1 7 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.368 -1.581 19945 6176 1 7 . 1 1 32 32 ASP H H 32 8.175 8.175 8.654 -0.479 19945 6177 1 7 . 1 1 33 33 VAL N N 33 120.428 120.428 121.857 -1.429 19945 6178 1 7 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.791 -0.134 19945 6179 1 7 . 1 1 33 33 VAL C C 33 174.252 174.252 174.698 -0.446 19945 6180 1 7 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.476 -0.173 19945 6181 1 7 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.943 -0.067 19945 6182 1 7 . 1 1 33 33 VAL H H 33 8.397 8.397 8.147 0.250 19945 6183 1 7 . 1 1 34 34 HIS N N 34 125.285 125.285 124.868 0.417 19945 6184 1 7 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.995 -0.442 19945 6185 1 7 . 1 1 34 34 HIS C C 34 171.920 171.920 172.532 -0.612 19945 6186 1 7 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.720 -1.149 19945 6187 1 7 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.159 -0.739 19945 6188 1 7 . 1 1 34 34 HIS H H 34 8.945 8.945 9.224 -0.279 19945 6189 1 7 . 1 1 35 35 ASP N N 35 124.120 124.120 119.178 4.942 19945 6190 1 7 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.841 -1.544 19945 6191 1 7 . 1 1 35 35 ASP C C 35 179.780 179.780 176.684 3.096 19945 6192 1 7 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.373 -0.617 19945 6193 1 7 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.799 -1.403 19945 6194 1 7 . 1 1 35 35 ASP H H 35 8.589 8.589 8.672 -0.083 19945 6195 1 7 . 1 1 36 36 ILE N N 36 106.681 106.681 126.841 -20.160 19945 6196 1 7 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.524 0.030 19945 6197 1 7 . 1 1 36 36 ILE C C 36 175.404 175.404 177.004 -1.600 19945 6198 1 7 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.371 -3.022 19945 6199 1 7 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.044 2.227 19945 6200 1 7 . 1 1 36 36 ILE H H 36 9.705 9.705 8.801 0.904 19945 6201 1 7 . 1 1 37 37 ALA N N 37 123.095 123.095 123.080 0.015 19945 6202 1 7 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.015 0.074 19945 6203 1 7 . 1 1 37 37 ALA C C 37 178.140 178.140 178.173 -0.033 19945 6204 1 7 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.605 -0.988 19945 6205 1 7 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.652 0.694 19945 6206 1 7 . 1 1 37 37 ALA H H 37 8.261 8.261 8.035 0.226 19945 6207 1 7 . 1 1 38 38 LYS N N 38 115.312 115.312 115.690 -0.378 19945 6208 1 7 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.355 0.256 19945 6209 1 7 . 1 1 38 38 LYS C C 38 176.498 176.498 176.851 -0.353 19945 6210 1 7 . 1 1 38 38 LYS CA C 38 54.147 54.147 55.922 -1.775 19945 6211 1 7 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.147 0.279 19945 6212 1 7 . 1 1 38 38 LYS H H 38 7.437 7.437 7.656 -0.219 19945 6213 1 7 . 1 1 39 39 SER N N 39 115.623 115.623 118.126 -2.503 19945 6214 1 7 . 1 1 39 39 SER HA H 39 5.019 5.019 4.565 0.454 19945 6215 1 7 . 1 1 39 39 SER C C 39 171.402 171.402 173.719 -2.317 19945 6216 1 7 . 1 1 39 39 SER CA C 39 58.929 58.929 59.621 -0.692 19945 6217 1 7 . 1 1 39 39 SER CB C 39 65.538 65.538 63.900 1.638 19945 6218 1 7 . 1 1 39 39 SER H H 39 7.051 7.051 7.568 -0.517 19945 6219 1 7 . 1 1 40 40 SER N N 40 118.860 118.860 116.436 2.424 19945 6220 1 7 . 1 1 40 40 SER HA H 40 5.025 5.025 4.840 0.185 19945 6221 1 7 . 1 1 40 40 SER C C 40 174.741 174.741 175.366 -0.625 19945 6222 1 7 . 1 1 40 40 SER CA C 40 56.003 56.003 57.128 -1.125 19945 6223 1 7 . 1 1 40 40 SER CB C 40 67.416 67.416 65.244 2.172 19945 6224 1 7 . 1 1 40 40 SER H H 40 9.377 9.377 8.327 1.050 19945 6225 1 7 . 1 1 41 41 LYS N N 41 122.504 122.504 122.837 -0.333 19945 6226 1 7 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.917 -0.179 19945 6227 1 7 . 1 1 41 41 LYS C C 41 177.391 177.391 178.027 -0.636 19945 6228 1 7 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.957 1.016 19945 6229 1 7 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.158 1.149 19945 6230 1 7 . 1 1 41 41 LYS H H 41 9.098 9.098 8.822 0.276 19945 6231 1 7 . 1 1 42 42 GLU N N 42 115.836 115.836 115.802 0.034 19945 6232 1 7 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.130 -0.002 19945 6233 1 7 . 1 1 42 42 GLU C C 42 178.773 178.773 177.858 0.915 19945 6234 1 7 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.007 1.985 19945 6235 1 7 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.249 -0.605 19945 6236 1 7 . 1 1 42 42 GLU H H 42 8.839 8.839 8.557 0.282 19945 6237 1 7 . 1 1 43 43 ASP N N 43 119.589 119.589 120.215 -0.626 19945 6238 1 7 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.439 0.047 19945 6239 1 7 . 1 1 43 43 ASP C C 43 177.564 177.564 177.545 0.019 19945 6240 1 7 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.735 0.866 19945 6241 1 7 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.855 -0.049 19945 6242 1 7 . 1 1 43 43 ASP H H 43 7.794 7.794 7.843 -0.049 19945 6243 1 7 . 1 1 44 44 LEU N N 44 118.745 118.745 118.427 0.318 19945 6244 1 7 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.246 -0.275 19945 6245 1 7 . 1 1 44 44 LEU C C 44 178.600 178.600 179.139 -0.539 19945 6246 1 7 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.329 2.553 19945 6247 1 7 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.836 0.888 19945 6248 1 7 . 1 1 44 44 LEU H H 44 6.854 6.854 7.491 -0.637 19945 6249 1 7 . 1 1 45 45 GLU N N 45 114.280 114.280 118.790 -4.510 19945 6250 1 7 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.065 -0.438 19945 6251 1 7 . 1 1 45 45 GLU C C 45 176.988 176.988 178.628 -1.640 19945 6252 1 7 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.803 -0.127 19945 6253 1 7 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.224 1.014 19945 6254 1 7 . 1 1 45 45 GLU H H 45 7.571 7.571 7.610 -0.039 19945 6255 1 7 . 1 1 46 46 ALA N N 46 118.860 118.860 121.504 -2.644 19945 6256 1 7 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.056 -0.018 19945 6257 1 7 . 1 1 46 46 ALA C C 46 176.901 176.901 177.905 -1.004 19945 6258 1 7 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.374 -0.055 19945 6259 1 7 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.796 0.285 19945 6260 1 7 . 1 1 46 46 ALA H H 46 7.026 7.026 7.514 -0.488 19945 6261 1 7 . 1 1 47 47 TYR N N 47 115.674 115.674 116.274 -0.600 19945 6262 1 7 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.479 0.252 19945 6263 1 7 . 1 1 47 47 TYR C C 47 175.807 175.807 175.632 0.175 19945 6264 1 7 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.589 -1.982 19945 6265 1 7 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.989 1.673 19945 6266 1 7 . 1 1 47 47 TYR H H 47 7.277 7.277 7.522 -0.245 19945 6267 1 7 . 1 1 48 48 ASP N N 48 121.598 121.598 120.316 1.282 19945 6268 1 7 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.966 -0.058 19945 6269 1 7 . 1 1 48 48 ASP C C 48 175.030 175.030 175.263 -0.233 19945 6270 1 7 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.538 0.670 19945 6271 1 7 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.997 -1.351 19945 6272 1 7 . 1 1 48 48 ASP H H 48 9.546 9.546 8.541 1.005 19945 6273 1 7 . 1 1 49 49 ILE N N 49 119.608 119.608 120.038 -0.430 19945 6274 1 7 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.131 0.163 19945 6275 1 7 . 1 1 49 49 ILE C C 49 175.059 175.059 174.425 0.634 19945 6276 1 7 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.290 0.240 19945 6277 1 7 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.516 -0.448 19945 6278 1 7 . 1 1 49 49 ILE H H 49 7.331 7.331 7.722 -0.391 19945 6279 1 7 . 1 1 50 50 LEU N N 50 127.901 127.901 126.886 1.015 19945 6280 1 7 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.306 0.354 19945 6281 1 7 . 1 1 50 50 LEU C C 50 174.598 174.598 175.156 -0.558 19945 6282 1 7 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.797 -0.978 19945 6283 1 7 . 1 1 50 50 LEU CB C 50 48.037 48.037 45.645 2.392 19945 6284 1 7 . 1 1 50 50 LEU H H 50 9.095 9.095 8.977 0.118 19945 6285 1 7 . 1 1 51 51 LEU N N 51 123.440 123.440 125.107 -1.667 19945 6286 1 7 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.368 0.664 19945 6287 1 7 . 1 1 51 51 LEU C C 51 175.894 175.894 175.590 0.304 19945 6288 1 7 . 1 1 51 51 LEU CA C 51 53.311 53.311 53.998 -0.687 19945 6289 1 7 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.301 1.017 19945 6290 1 7 . 1 1 51 51 LEU H H 51 9.275 9.275 9.345 -0.070 19945 6291 1 7 . 1 1 52 52 LEU N N 52 123.320 123.320 125.490 -2.170 19945 6292 1 7 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.236 0.420 19945 6293 1 7 . 1 1 52 52 LEU C C 52 173.763 173.763 175.924 -2.161 19945 6294 1 7 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.623 -0.746 19945 6295 1 7 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.129 -1.643 19945 6296 1 7 . 1 1 52 52 LEU H H 52 9.024 9.024 9.308 -0.284 19945 6297 1 7 . 1 1 53 53 GLY N N 53 110.739 110.739 112.007 -1.268 19945 6298 1 7 . 1 1 53 53 GLY C C 53 174.530 174.530 171.377 3.153 19945 6299 1 7 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.792 0.197 19945 6300 1 7 . 1 1 53 53 GLY H H 53 9.283 9.283 9.200 0.083 19945 6301 1 7 . 1 1 54 54 ILE N N 54 126.032 126.032 123.771 2.261 19945 6302 1 7 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.082 1.124 19945 6303 1 7 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.622 -0.615 19945 6304 1 7 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.915 1.075 19945 6305 1 7 . 1 1 54 54 ILE H H 54 9.136 9.136 8.348 0.788 19945 6306 1 7 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.853 0.464 19945 6307 1 7 . 1 1 55 55 PRO C C 55 174.771 174.771 176.241 -1.470 19945 6308 1 7 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.900 -0.152 19945 6309 1 7 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.839 0.175 19945 6310 1 7 . 1 1 56 56 THR N N 56 113.710 113.710 117.843 -4.133 19945 6311 1 7 . 1 1 56 56 THR HA H 56 4.582 4.582 5.010 -0.428 19945 6312 1 7 . 1 1 56 56 THR C C 56 171.719 171.719 173.873 -2.154 19945 6313 1 7 . 1 1 56 56 THR CA C 56 62.383 62.383 62.941 -0.558 19945 6314 1 7 . 1 1 56 56 THR CB C 56 69.692 69.692 70.599 -0.907 19945 6315 1 7 . 1 1 56 56 THR H H 56 6.599 6.599 8.008 -1.409 19945 6316 1 7 . 1 1 57 57 TRP N N 57 130.050 130.050 125.119 4.931 19945 6317 1 7 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.531 -1.905 19945 6318 1 7 . 1 1 57 57 TRP C C 57 172.611 172.611 175.259 -2.648 19945 6319 1 7 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.204 -0.929 19945 6320 1 7 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.259 2.495 19945 6321 1 7 . 1 1 57 57 TRP H H 57 8.865 8.865 8.881 -0.016 19945 6322 1 7 . 1 1 58 58 TYR N N 58 112.793 112.793 116.653 -3.860 19945 6323 1 7 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.876 0.340 19945 6324 1 7 . 1 1 58 58 TYR C C 58 173.619 173.619 174.897 -1.278 19945 6325 1 7 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.640 -1.440 19945 6326 1 7 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.905 -0.705 19945 6327 1 7 . 1 1 58 58 TYR H H 58 5.730 5.730 8.258 -2.528 19945 6328 1 7 . 1 1 59 59 TYR N N 59 112.220 112.220 119.165 -6.945 19945 6329 1 7 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.987 -0.592 19945 6330 1 7 . 1 1 59 59 TYR C C 59 175.865 175.865 174.464 1.401 19945 6331 1 7 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.139 2.321 19945 6332 1 7 . 1 1 59 59 TYR CB C 59 33.610 33.610 38.503 -4.893 19945 6333 1 7 . 1 1 59 59 TYR H H 59 7.661 7.661 7.887 -0.226 19945 6334 1 7 . 1 1 60 60 GLY N N 60 104.550 104.550 109.375 -4.825 19945 6335 1 7 . 1 1 60 60 GLY C C 60 174.483 174.483 174.208 0.275 19945 6336 1 7 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.773 0.405 19945 6337 1 7 . 1 1 60 60 GLY H H 60 8.142 8.142 8.023 0.119 19945 6338 1 7 . 1 1 61 61 GLU N N 61 120.991 120.991 118.185 2.806 19945 6339 1 7 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.838 -0.400 19945 6340 1 7 . 1 1 61 61 GLU C C 61 175.548 175.548 175.112 0.436 19945 6341 1 7 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.097 1.379 19945 6342 1 7 . 1 1 61 61 GLU CB C 61 30.500 30.500 34.143 -3.643 19945 6343 1 7 . 1 1 61 61 GLU H H 61 8.307 8.307 7.996 0.311 19945 6344 1 7 . 1 1 62 62 ALA N N 62 122.750 122.750 122.964 -0.214 19945 6345 1 7 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.770 -0.564 19945 6346 1 7 . 1 1 62 62 ALA C C 62 176.671 176.671 177.499 -0.828 19945 6347 1 7 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.637 0.173 19945 6348 1 7 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.254 0.952 19945 6349 1 7 . 1 1 62 62 ALA H H 62 8.722 8.722 8.679 0.043 19945 6350 1 7 . 1 1 63 63 GLN N N 63 120.579 120.579 118.610 1.969 19945 6351 1 7 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.253 -0.367 19945 6352 1 7 . 1 1 63 63 GLN C C 63 176.757 176.757 177.397 -0.640 19945 6353 1 7 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.053 2.556 19945 6354 1 7 . 1 1 63 63 GLN H H 63 6.302 6.302 8.688 -2.386 19945 6355 1 7 . 1 1 64 64 CYS N N 64 125.487 125.487 123.285 2.202 19945 6356 1 7 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.155 -0.044 19945 6357 1 7 . 1 1 64 64 CYS C C 64 174.972 174.972 176.381 -1.409 19945 6358 1 7 . 1 1 64 64 CYS CA C 64 61.489 61.489 61.818 -0.329 19945 6359 1 7 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.202 0.380 19945 6360 1 7 . 1 1 64 64 CYS H H 64 9.091 9.091 8.734 0.357 19945 6361 1 7 . 1 1 65 65 ASP N N 65 120.298 120.298 119.371 0.927 19945 6362 1 7 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.429 -0.030 19945 6363 1 7 . 1 1 65 65 ASP C C 65 179.000 179.000 178.297 0.703 19945 6364 1 7 . 1 1 65 65 ASP CA C 65 58.132 58.132 58.053 0.079 19945 6365 1 7 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.680 0.543 19945 6366 1 7 . 1 1 65 65 ASP H H 65 7.093 7.093 8.492 -1.399 19945 6367 1 7 . 1 1 66 66 TRP N N 66 122.608 122.608 120.321 2.287 19945 6368 1 7 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.163 0.053 19945 6369 1 7 . 1 1 66 66 TRP C C 66 176.930 176.930 177.616 -0.686 19945 6370 1 7 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.856 1.667 19945 6371 1 7 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.678 0.283 19945 6372 1 7 . 1 1 66 66 TRP H H 66 7.394 7.394 7.668 -0.274 19945 6373 1 7 . 1 1 67 67 ASP N N 67 118.860 118.860 118.875 -0.015 19945 6374 1 7 . 1 1 67 67 ASP HA H 67 3.525 3.525 4.111 -0.586 19945 6375 1 7 . 1 1 67 67 ASP C C 67 179.579 179.579 178.503 1.076 19945 6376 1 7 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.408 -0.068 19945 6377 1 7 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.946 1.454 19945 6378 1 7 . 1 1 67 67 ASP H H 67 8.087 8.087 8.178 -0.091 19945 6379 1 7 . 1 1 68 68 ASP N N 68 116.220 116.220 118.787 -2.567 19945 6380 1 7 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.477 -0.121 19945 6381 1 7 . 1 1 68 68 ASP C C 68 176.873 176.873 177.037 -0.164 19945 6382 1 7 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.110 0.145 19945 6383 1 7 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.078 -0.272 19945 6384 1 7 . 1 1 68 68 ASP H H 68 8.056 8.056 8.260 -0.204 19945 6385 1 7 . 1 1 69 69 PHE N N 69 120.493 120.493 117.738 2.755 19945 6386 1 7 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.327 0.036 19945 6387 1 7 . 1 1 69 69 PHE C C 69 177.103 177.103 175.997 1.106 19945 6388 1 7 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.112 -0.183 19945 6389 1 7 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.956 1.574 19945 6390 1 7 . 1 1 69 69 PHE H H 69 7.659 7.659 7.356 0.303 19945 6391 1 7 . 1 1 70 70 PHE N N 70 122.293 122.293 120.035 2.258 19945 6392 1 7 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.263 0.755 19945 6393 1 7 . 1 1 70 70 PHE C C 70 174.396 174.396 174.608 -0.212 19945 6394 1 7 . 1 1 70 70 PHE CA C 70 59.123 59.123 62.580 -3.457 19945 6395 1 7 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.517 -0.762 19945 6396 1 7 . 1 1 70 70 PHE H H 70 8.197 8.197 7.788 0.409 19945 6397 1 7 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.469 -0.071 19945 6398 1 7 . 1 1 71 71 PRO C C 71 179.118 179.118 177.495 1.623 19945 6399 1 7 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.081 1.286 19945 6400 1 7 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.003 -0.073 19945 6401 1 7 . 1 1 72 72 THR N N 72 114.461 114.461 113.154 1.307 19945 6402 1 7 . 1 1 72 72 THR HA H 72 3.816 3.816 4.000 -0.184 19945 6403 1 7 . 1 1 72 72 THR C C 72 176.498 176.498 176.431 0.067 19945 6404 1 7 . 1 1 72 72 THR CA C 72 65.803 65.803 64.896 0.907 19945 6405 1 7 . 1 1 72 72 THR CB C 72 67.203 67.203 68.543 -1.340 19945 6406 1 7 . 1 1 72 72 THR H H 72 7.534 7.534 7.615 -0.081 19945 6407 1 7 . 1 1 73 73 LEU N N 73 124.812 124.812 123.574 1.238 19945 6408 1 7 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.084 0.006 19945 6409 1 7 . 1 1 73 73 LEU C C 73 177.996 177.996 178.231 -0.235 19945 6410 1 7 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.322 -0.171 19945 6411 1 7 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.172 1.614 19945 6412 1 7 . 1 1 73 73 LEU H H 73 8.123 8.123 8.059 0.064 19945 6413 1 7 . 1 1 74 74 GLU N N 74 111.877 111.877 116.586 -4.709 19945 6414 1 7 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.163 -0.338 19945 6415 1 7 . 1 1 74 74 GLU C C 74 176.930 176.930 177.506 -0.576 19945 6416 1 7 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.626 -0.951 19945 6417 1 7 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.004 1.017 19945 6418 1 7 . 1 1 74 74 GLU H H 74 7.933 7.933 8.491 -0.558 19945 6419 1 7 . 1 1 75 75 GLU N N 75 116.571 116.571 117.542 -0.971 19945 6420 1 7 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.397 -0.050 19945 6421 1 7 . 1 1 75 75 GLU C C 75 177.045 177.045 176.115 0.930 19945 6422 1 7 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.515 0.511 19945 6423 1 7 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.806 -0.297 19945 6424 1 7 . 1 1 75 75 GLU H H 75 7.659 7.659 8.066 -0.407 19945 6425 1 7 . 1 1 76 76 ILE N N 76 123.080 123.080 120.508 2.572 19945 6426 1 7 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.894 -0.117 19945 6427 1 7 . 1 1 76 76 ILE C C 76 174.656 174.656 175.253 -0.597 19945 6428 1 7 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.081 -0.007 19945 6429 1 7 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.557 0.448 19945 6430 1 7 . 1 1 76 76 ILE H H 76 7.468 7.468 7.157 0.311 19945 6431 1 7 . 1 1 77 77 ASP N N 77 126.540 126.540 125.156 1.384 19945 6432 1 7 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.449 0.364 19945 6433 1 7 . 1 1 77 77 ASP C C 77 176.614 176.614 174.893 1.721 19945 6434 1 7 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.903 -0.762 19945 6435 1 7 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.591 -0.726 19945 6436 1 7 . 1 1 77 77 ASP H H 77 8.605 8.605 8.559 0.046 19945 6437 1 7 . 1 1 78 78 PHE N N 78 124.583 124.583 123.031 1.552 19945 6438 1 7 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.691 -0.531 19945 6439 1 7 . 1 1 78 78 PHE C C 78 175.347 175.347 175.333 0.014 19945 6440 1 7 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.500 2.642 19945 6441 1 7 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.817 0.351 19945 6442 1 7 . 1 1 78 78 PHE H H 78 8.053 8.053 7.715 0.338 19945 6443 1 7 . 1 1 79 79 ASN N N 79 121.321 121.321 120.777 0.544 19945 6444 1 7 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.612 -0.095 19945 6445 1 7 . 1 1 79 79 ASN C C 79 176.815 176.815 176.505 0.310 19945 6446 1 7 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.208 1.244 19945 6447 1 7 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.150 0.589 19945 6448 1 7 . 1 1 79 79 ASN H H 79 8.695 8.695 8.497 0.198 19945 6449 1 7 . 1 1 80 80 GLY N N 80 114.150 114.150 113.695 0.455 19945 6450 1 7 . 1 1 80 80 GLY C C 80 174.195 174.195 174.490 -0.295 19945 6451 1 7 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.505 0.141 19945 6452 1 7 . 1 1 80 80 GLY H H 80 8.646 8.646 8.814 -0.168 19945 6453 1 7 . 1 1 81 81 LYS N N 81 119.318 119.318 120.861 -1.543 19945 6454 1 7 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.361 0.676 19945 6455 1 7 . 1 1 81 81 LYS C C 81 176.268 176.268 176.122 0.146 19945 6456 1 7 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.947 -0.951 19945 6457 1 7 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.773 0.182 19945 6458 1 7 . 1 1 81 81 LYS H H 81 8.295 8.295 7.809 0.486 19945 6459 1 7 . 1 1 82 82 LEU N N 82 127.000 127.000 123.058 3.942 19945 6460 1 7 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.007 0.223 19945 6461 1 7 . 1 1 82 82 LEU C C 82 175.347 175.347 176.107 -0.760 19945 6462 1 7 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.374 -0.570 19945 6463 1 7 . 1 1 82 82 LEU CB C 82 44.151 44.151 42.896 1.255 19945 6464 1 7 . 1 1 82 82 LEU H H 82 8.407 8.407 8.829 -0.422 19945 6465 1 7 . 1 1 83 83 VAL N N 83 121.665 121.665 120.867 0.798 19945 6466 1 7 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.358 0.482 19945 6467 1 7 . 1 1 83 83 VAL C C 83 173.417 173.417 174.145 -0.728 19945 6468 1 7 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.102 -0.900 19945 6469 1 7 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.188 0.160 19945 6470 1 7 . 1 1 83 83 VAL H H 83 8.960 8.960 9.100 -0.140 19945 6471 1 7 . 1 1 84 84 ALA N N 84 128.017 128.017 126.601 1.416 19945 6472 1 7 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.427 -0.094 19945 6473 1 7 . 1 1 84 84 ALA C C 84 175.231 175.231 175.315 -0.084 19945 6474 1 7 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.517 -0.089 19945 6475 1 7 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.321 0.807 19945 6476 1 7 . 1 1 84 84 ALA H H 84 9.021 9.021 9.015 0.006 19945 6477 1 7 . 1 1 85 85 LEU N N 85 124.220 124.220 121.844 2.376 19945 6478 1 7 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.651 -0.039 19945 6479 1 7 . 1 1 85 85 LEU C C 85 174.454 174.454 175.939 -1.485 19945 6480 1 7 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.619 -0.646 19945 6481 1 7 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.788 0.124 19945 6482 1 7 . 1 1 85 85 LEU H H 85 11.134 11.134 8.816 2.318 19945 6483 1 7 . 1 1 86 86 PHE N N 86 114.461 114.461 117.027 -2.566 19945 6484 1 7 . 1 1 86 86 PHE HA H 86 5.222 5.222 4.958 0.264 19945 6485 1 7 . 1 1 86 86 PHE C C 86 173.619 173.619 173.724 -0.105 19945 6486 1 7 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.348 -0.670 19945 6487 1 7 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.789 1.191 19945 6488 1 7 . 1 1 86 86 PHE H H 86 8.829 8.829 8.893 -0.064 19945 6489 1 7 . 1 1 87 87 GLY N N 87 104.437 104.437 105.405 -0.968 19945 6490 1 7 . 1 1 87 87 GLY C C 87 170.423 170.423 171.670 -1.247 19945 6491 1 7 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.591 0.339 19945 6492 1 7 . 1 1 87 87 GLY H H 87 8.496 8.496 8.683 -0.187 19945 6493 1 7 . 1 1 88 88 CYS N N 88 114.166 114.166 119.124 -4.958 19945 6494 1 7 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.271 0.732 19945 6495 1 7 . 1 1 88 88 CYS C C 88 174.425 174.425 174.236 0.189 19945 6496 1 7 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.642 -1.105 19945 6497 1 7 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.029 0.272 19945 6498 1 7 . 1 1 88 88 CYS H H 88 5.354 5.354 7.836 -2.482 19945 6499 1 7 . 1 1 89 89 GLY N N 89 109.463 109.463 108.848 0.615 19945 6500 1 7 . 1 1 89 89 GLY C C 89 173.187 173.187 171.357 1.830 19945 6501 1 7 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.785 1.658 19945 6502 1 7 . 1 1 89 89 GLY H H 89 8.404 8.404 7.922 0.482 19945 6503 1 7 . 1 1 90 90 ASP N N 90 123.090 123.090 118.905 4.185 19945 6504 1 7 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.993 0.806 19945 6505 1 7 . 1 1 90 90 ASP C C 90 176.095 176.095 175.793 0.302 19945 6506 1 7 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.735 -1.182 19945 6507 1 7 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.036 0.219 19945 6508 1 7 . 1 1 90 90 ASP H H 90 8.698 8.698 8.438 0.260 19945 6509 1 7 . 1 1 91 91 GLN N N 91 123.780 123.780 124.951 -1.171 19945 6510 1 7 . 1 1 91 91 GLN HA H 91 3.696 3.696 3.696 -0.000 19945 6511 1 7 . 1 1 91 91 GLN C C 91 173.639 173.639 177.141 -3.502 19945 6512 1 7 . 1 1 91 91 GLN CA C 91 57.060 57.060 57.726 -0.666 19945 6513 1 7 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.294 1.147 19945 6514 1 7 . 1 1 91 91 GLN H H 91 9.675 9.675 9.095 0.580 19945 6515 1 7 . 1 1 92 92 GLU N N 92 118.631 118.631 119.879 -1.248 19945 6516 1 7 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.054 0.537 19945 6517 1 7 . 1 1 92 92 GLU C C 92 177.247 177.247 177.930 -0.683 19945 6518 1 7 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.945 -1.609 19945 6519 1 7 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.381 1.389 19945 6520 1 7 . 1 1 92 92 GLU H H 92 8.396 8.396 7.664 0.732 19945 6521 1 7 . 1 1 93 93 ASP N N 93 120.889 120.889 117.508 3.381 19945 6522 1 7 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.524 -0.242 19945 6523 1 7 . 1 1 93 93 ASP C C 93 175.986 175.986 177.941 -1.955 19945 6524 1 7 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.899 -0.474 19945 6525 1 7 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.598 -1.348 19945 6526 1 7 . 1 1 93 93 ASP H H 93 7.779 7.779 7.716 0.063 19945 6527 1 7 . 1 1 94 94 TYR N N 94 117.028 117.028 120.549 -3.521 19945 6528 1 7 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.868 -0.183 19945 6529 1 7 . 1 1 94 94 TYR C C 94 175.519 175.519 175.865 -0.346 19945 6530 1 7 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.166 0.213 19945 6531 1 7 . 1 1 94 94 TYR CB C 94 36.842 36.842 36.258 0.584 19945 6532 1 7 . 1 1 94 94 TYR H H 94 6.693 6.693 7.595 -0.902 19945 6533 1 7 . 1 1 95 95 ALA N N 95 121.950 121.950 123.073 -1.123 19945 6534 1 7 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.199 -0.043 19945 6535 1 7 . 1 1 95 95 ALA C C 95 179.723 179.723 177.999 1.724 19945 6536 1 7 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.883 1.040 19945 6537 1 7 . 1 1 95 95 ALA CB C 95 20.555 20.555 19.387 1.169 19945 6538 1 7 . 1 1 95 95 ALA H H 95 6.962 6.962 7.637 -0.675 19945 6539 1 7 . 1 1 96 96 GLU N N 96 115.884 115.884 114.842 1.042 19945 6540 1 7 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.591 -0.285 19945 6541 1 7 . 1 1 96 96 GLU C C 96 174.684 174.684 175.908 -1.224 19945 6542 1 7 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.211 0.774 19945 6543 1 7 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.232 -0.056 19945 6544 1 7 . 1 1 96 96 GLU H H 96 9.327 9.327 8.608 0.719 19945 6545 1 7 . 1 1 97 97 TYR N N 97 121.836 121.836 117.132 4.704 19945 6546 1 7 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.851 0.558 19945 6547 1 7 . 1 1 97 97 TYR C C 97 179.953 179.953 174.489 5.464 19945 6548 1 7 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.322 0.120 19945 6549 1 7 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.275 2.017 19945 6550 1 7 . 1 1 97 97 TYR H H 97 8.175 8.175 8.126 0.049 19945 6551 1 7 . 1 1 98 98 PHE N N 98 124.580 124.580 124.183 0.397 19945 6552 1 7 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.561 0.576 19945 6553 1 7 . 1 1 98 98 PHE C C 98 174.742 174.742 175.837 -1.095 19945 6554 1 7 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.535 -0.873 19945 6555 1 7 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.617 -0.962 19945 6556 1 7 . 1 1 98 98 PHE H H 98 7.889 7.889 7.824 0.065 19945 6557 1 7 . 1 1 99 99 CYS N N 99 120.329 120.329 123.555 -3.226 19945 6558 1 7 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.621 0.031 19945 6559 1 7 . 1 1 99 99 CYS C C 99 175.087 175.087 174.644 0.443 19945 6560 1 7 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.170 2.705 19945 6561 1 7 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.176 -1.176 19945 6562 1 7 . 1 1 99 99 CYS H H 99 8.617 8.617 8.601 0.016 19945 6563 1 7 . 1 1 100 100 ASP N N 100 116.705 116.705 120.611 -3.906 19945 6564 1 7 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.218 -0.273 19945 6565 1 7 . 1 1 100 100 ASP C C 100 178.888 178.888 177.387 1.501 19945 6566 1 7 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.251 0.877 19945 6567 1 7 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.390 0.560 19945 6568 1 7 . 1 1 100 100 ASP H H 100 7.104 7.104 7.760 -0.656 19945 6569 1 7 . 1 1 101 101 ALA N N 101 118.631 118.631 121.236 -2.605 19945 6570 1 7 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.212 -0.061 19945 6571 1 7 . 1 1 101 101 ALA C C 101 178.600 178.600 178.995 -0.395 19945 6572 1 7 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.434 -0.037 19945 6573 1 7 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.675 0.135 19945 6574 1 7 . 1 1 101 101 ALA H H 101 8.716 8.716 7.667 1.049 19945 6575 1 7 . 1 1 102 102 LEU N N 102 115.083 115.083 118.662 -3.579 19945 6576 1 7 . 1 1 102 102 LEU HA H 102 3.614 3.614 4.025 -0.411 19945 6577 1 7 . 1 1 102 102 LEU C C 102 179.573 179.573 179.141 0.432 19945 6578 1 7 . 1 1 102 102 LEU CA C 102 57.844 57.844 58.035 -0.191 19945 6579 1 7 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.468 1.246 19945 6580 1 7 . 1 1 102 102 LEU H H 102 7.171 7.171 7.439 -0.268 19945 6581 1 7 . 1 1 103 103 GLY N N 103 104.501 104.501 105.342 -0.841 19945 6582 1 7 . 1 1 103 103 GLY C C 103 175.145 175.145 175.457 -0.312 19945 6583 1 7 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.731 -1.023 19945 6584 1 7 . 1 1 103 103 GLY H H 103 7.365 7.365 8.259 -0.894 19945 6585 1 7 . 1 1 104 104 THR N N 104 118.860 118.860 118.101 0.759 19945 6586 1 7 . 1 1 104 104 THR HA H 104 3.737 3.737 3.874 -0.137 19945 6587 1 7 . 1 1 104 104 THR C C 104 176.354 176.354 176.319 0.035 19945 6588 1 7 . 1 1 104 104 THR CA C 104 65.799 65.799 65.935 -0.136 19945 6589 1 7 . 1 1 104 104 THR CB C 104 67.961 67.961 68.653 -0.691 19945 6590 1 7 . 1 1 104 104 THR H H 104 7.343 7.343 7.344 -0.001 19945 6591 1 7 . 1 1 105 105 ILE N N 105 118.663 118.663 121.551 -2.888 19945 6592 1 7 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.797 -0.293 19945 6593 1 7 . 1 1 105 105 ILE C C 105 177.391 177.391 177.433 -0.042 19945 6594 1 7 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.372 1.178 19945 6595 1 7 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.751 -0.001 19945 6596 1 7 . 1 1 105 105 ILE H H 105 7.589 7.589 7.184 0.405 19945 6597 1 7 . 1 1 106 106 ARG N N 106 126.041 126.041 120.478 5.563 19945 6598 1 7 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.889 -0.309 19945 6599 1 7 . 1 1 106 106 ARG C C 106 176.614 176.614 177.977 -1.363 19945 6600 1 7 . 1 1 106 106 ARG CA C 106 60.267 60.267 58.825 1.442 19945 6601 1 7 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.476 -2.160 19945 6602 1 7 . 1 1 106 106 ARG H H 106 7.307 7.307 8.194 -0.887 19945 6603 1 7 . 1 1 107 107 ASP N N 107 117.480 117.480 117.013 0.467 19945 6604 1 7 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.489 -0.141 19945 6605 1 7 . 1 1 107 107 ASP C C 107 177.189 177.189 177.979 -0.790 19945 6606 1 7 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.974 -0.473 19945 6607 1 7 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.722 -1.048 19945 6608 1 7 . 1 1 107 107 ASP H H 107 8.202 8.202 8.120 0.082 19945 6609 1 7 . 1 1 108 108 ILE N N 108 117.715 117.715 118.211 -0.496 19945 6610 1 7 . 1 1 108 108 ILE HA H 108 3.856 3.856 4.014 -0.158 19945 6611 1 7 . 1 1 108 108 ILE C C 108 178.427 178.427 177.775 0.652 19945 6612 1 7 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.601 0.376 19945 6613 1 7 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.148 0.303 19945 6614 1 7 . 1 1 108 108 ILE H H 108 7.107 7.107 7.521 -0.414 19945 6615 1 7 . 1 1 109 109 ILE N N 109 111.534 111.534 117.347 -5.813 19945 6616 1 7 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.874 -0.139 19945 6617 1 7 . 1 1 109 109 ILE C C 109 177.305 177.305 177.151 0.154 19945 6618 1 7 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.257 0.348 19945 6619 1 7 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.661 -0.250 19945 6620 1 7 . 1 1 109 109 ILE H H 109 7.501 7.501 8.425 -0.924 19945 6621 1 7 . 1 1 110 110 GLU N N 110 127.123 127.123 123.501 3.622 19945 6622 1 7 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.257 0.041 19945 6623 1 7 . 1 1 110 110 GLU C C 110 177.391 177.391 177.087 0.304 19945 6624 1 7 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.488 1.843 19945 6625 1 7 . 1 1 110 110 GLU CB C 110 27.848 27.848 27.771 0.077 19945 6626 1 7 . 1 1 110 110 GLU H H 110 8.867 8.867 8.242 0.625 19945 6627 1 7 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.377 0.239 19945 6628 1 7 . 1 1 111 111 PRO C C 111 177.417 177.417 178.072 -0.655 19945 6629 1 7 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.830 0.405 19945 6630 1 7 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.243 -0.208 19945 6631 1 7 . 1 1 112 112 ARG N N 112 114.612 114.612 116.603 -1.991 19945 6632 1 7 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.488 0.080 19945 6633 1 7 . 1 1 112 112 ARG C C 112 175.792 175.792 176.716 -0.924 19945 6634 1 7 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.242 0.499 19945 6635 1 7 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.930 0.574 19945 6636 1 7 . 1 1 112 112 ARG H H 112 6.542 6.542 7.573 -1.031 19945 6637 1 7 . 1 1 113 113 GLY N N 113 106.474 106.474 106.535 -0.061 19945 6638 1 7 . 1 1 113 113 GLY C C 113 174.347 174.347 174.037 0.310 19945 6639 1 7 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.292 0.348 19945 6640 1 7 . 1 1 113 113 GLY H H 113 7.845 7.845 8.205 -0.360 19945 6641 1 7 . 1 1 114 114 ALA N N 114 122.280 122.280 123.521 -1.241 19945 6642 1 7 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.880 -0.601 19945 6643 1 7 . 1 1 114 114 ALA C C 114 176.785 176.785 177.391 -0.606 19945 6644 1 7 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.450 0.941 19945 6645 1 7 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.633 -0.021 19945 6646 1 7 . 1 1 114 114 ALA H H 114 7.535 7.535 7.939 -0.404 19945 6647 1 7 . 1 1 115 115 THR N N 115 120.909 120.909 119.907 1.002 19945 6648 1 7 . 1 1 115 115 THR HA H 115 4.478 4.478 4.619 -0.141 19945 6649 1 7 . 1 1 115 115 THR C C 115 172.963 172.963 173.409 -0.446 19945 6650 1 7 . 1 1 115 115 THR CA C 115 62.825 62.825 62.798 0.027 19945 6651 1 7 . 1 1 115 115 THR CB C 115 69.501 69.501 69.745 -0.244 19945 6652 1 7 . 1 1 115 115 THR H H 115 7.902 7.902 8.826 -0.924 19945 6653 1 7 . 1 1 116 116 ILE N N 116 129.162 129.162 128.295 0.867 19945 6654 1 7 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.127 0.170 19945 6655 1 7 . 1 1 116 116 ILE C C 116 177.056 177.056 175.415 1.641 19945 6656 1 7 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.200 0.323 19945 6657 1 7 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.578 -1.278 19945 6658 1 7 . 1 1 116 116 ILE H H 116 8.784 8.784 8.869 -0.085 19945 6659 1 7 . 1 1 117 117 VAL N N 117 122.981 122.981 120.691 2.290 19945 6660 1 7 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.711 -0.117 19945 6661 1 7 . 1 1 117 117 VAL C C 117 175.190 175.190 175.926 -0.736 19945 6662 1 7 . 1 1 117 117 VAL CA C 117 58.929 58.929 58.466 0.463 19945 6663 1 7 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.891 -2.527 19945 6664 1 7 . 1 1 117 117 VAL H H 117 8.812 8.812 8.740 0.072 19945 6665 1 7 . 1 1 118 118 GLY N N 118 108.558 108.558 106.795 1.763 19945 6666 1 7 . 1 1 118 118 GLY C C 118 175.792 175.792 175.020 0.772 19945 6667 1 7 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.494 2.252 19945 6668 1 7 . 1 1 118 118 GLY H H 118 9.297 9.297 8.738 0.559 19945 6669 1 7 . 1 1 119 119 HIS N N 119 118.402 118.402 119.012 -0.610 19945 6670 1 7 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.811 -0.039 19945 6671 1 7 . 1 1 119 119 HIS C C 119 175.866 175.866 175.020 0.846 19945 6672 1 7 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.175 -1.573 19945 6673 1 7 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.096 -1.240 19945 6674 1 7 . 1 1 119 119 HIS H H 119 8.901 8.901 8.149 0.752 19945 6675 1 7 . 1 1 120 120 TRP N N 120 124.300 124.300 125.324 -1.024 19945 6676 1 7 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.183 1.110 19945 6677 1 7 . 1 1 120 120 TRP C C 120 173.113 173.113 172.901 0.212 19945 6678 1 7 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.937 -0.433 19945 6679 1 7 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.849 2.437 19945 6680 1 7 . 1 1 120 120 TRP H H 120 8.455 8.455 9.023 -0.568 19945 6681 1 7 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.952 0.645 19945 6682 1 7 . 1 1 121 121 PRO C C 121 176.243 176.243 176.780 -0.537 19945 6683 1 7 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.574 0.876 19945 6684 1 7 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.277 -0.180 19945 6685 1 7 . 1 1 122 122 THR N N 122 110.568 110.568 112.815 -2.247 19945 6686 1 7 . 1 1 122 122 THR HA H 122 4.232 4.232 4.220 0.012 19945 6687 1 7 . 1 1 122 122 THR C C 122 176.424 176.424 176.050 0.374 19945 6688 1 7 . 1 1 122 122 THR CA C 122 62.079 62.079 63.468 -1.389 19945 6689 1 7 . 1 1 122 122 THR CB C 122 68.758 68.758 68.859 -0.101 19945 6690 1 7 . 1 1 122 122 THR H H 122 7.560 7.560 8.265 -0.705 19945 6691 1 7 . 1 1 123 123 ALA N N 123 126.038 126.038 123.573 2.465 19945 6692 1 7 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.981 0.288 19945 6693 1 7 . 1 1 123 123 ALA C C 123 178.862 178.862 177.971 0.891 19945 6694 1 7 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.341 1.541 19945 6695 1 7 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.188 1.096 19945 6696 1 7 . 1 1 123 123 ALA H H 123 7.144 7.144 8.286 -1.142 19945 6697 1 7 . 1 1 124 124 GLY N N 124 111.468 111.468 105.160 6.308 19945 6698 1 7 . 1 1 124 124 GLY C C 124 173.775 173.775 174.951 -1.176 19945 6699 1 7 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.865 0.516 19945 6700 1 7 . 1 1 124 124 GLY H H 124 9.058 9.058 8.472 0.586 19945 6701 1 7 . 1 1 125 125 TYR N N 125 119.088 119.088 118.587 0.501 19945 6702 1 7 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.210 0.732 19945 6703 1 7 . 1 1 125 125 TYR C C 125 175.581 175.581 176.674 -1.093 19945 6704 1 7 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.498 -2.736 19945 6705 1 7 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.878 1.672 19945 6706 1 7 . 1 1 125 125 TYR H H 125 8.008 8.008 7.591 0.417 19945 6707 1 7 . 1 1 126 126 HIS N N 126 121.799 121.799 114.135 7.664 19945 6708 1 7 . 1 1 126 126 HIS HA H 126 5.013 5.013 3.670 1.343 19945 6709 1 7 . 1 1 126 126 HIS C C 126 171.969 171.969 173.576 -1.607 19945 6710 1 7 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.027 -1.880 19945 6711 1 7 . 1 1 126 126 HIS CB C 126 28.387 28.387 26.888 1.499 19945 6712 1 7 . 1 1 126 126 HIS H H 126 9.512 9.512 7.602 1.910 19945 6713 1 7 . 1 1 127 127 PHE N N 127 117.258 117.258 116.769 0.489 19945 6714 1 7 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.520 0.403 19945 6715 1 7 . 1 1 127 127 PHE C C 127 172.722 172.722 176.761 -4.039 19945 6716 1 7 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.935 -1.635 19945 6717 1 7 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.458 -0.704 19945 6718 1 7 . 1 1 127 127 PHE H H 127 7.397 7.397 6.660 0.737 19945 6719 1 7 . 1 1 128 128 GLU N N 128 120.484 120.484 119.936 0.548 19945 6720 1 7 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.188 0.175 19945 6721 1 7 . 1 1 128 128 GLU C C 128 176.033 176.033 176.459 -0.426 19945 6722 1 7 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.437 -1.369 19945 6723 1 7 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.188 1.644 19945 6724 1 7 . 1 1 128 128 GLU H H 128 8.492 8.492 8.731 -0.239 19945 6725 1 7 . 1 1 129 129 ALA N N 129 123.500 123.500 122.227 1.273 19945 6726 1 7 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.903 -0.205 19945 6727 1 7 . 1 1 129 129 ALA C C 129 174.016 174.016 175.551 -1.535 19945 6728 1 7 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.675 0.779 19945 6729 1 7 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.470 0.533 19945 6730 1 7 . 1 1 129 129 ALA H H 129 9.155 9.155 8.328 0.827 19945 6731 1 7 . 1 1 130 130 SER N N 130 110.807 110.807 119.633 -8.826 19945 6732 1 7 . 1 1 130 130 SER HA H 130 4.942 4.942 5.085 -0.143 19945 6733 1 7 . 1 1 130 130 SER C C 130 176.665 176.665 174.896 1.769 19945 6734 1 7 . 1 1 130 130 SER CA C 130 57.471 57.471 57.894 -0.423 19945 6735 1 7 . 1 1 130 130 SER CB C 130 67.205 67.205 63.873 3.332 19945 6736 1 7 . 1 1 130 130 SER H H 130 8.101 8.101 8.398 -0.297 19945 6737 1 7 . 1 1 131 131 LYS N N 131 129.963 129.963 122.991 6.972 19945 6738 1 7 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.604 -0.155 19945 6739 1 7 . 1 1 131 131 LYS C C 131 176.533 176.533 177.209 -0.676 19945 6740 1 7 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.220 0.680 19945 6741 1 7 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.752 -1.123 19945 6742 1 7 . 1 1 131 131 LYS H H 131 9.690 9.690 8.897 0.793 19945 6743 1 7 . 1 1 132 132 GLY N N 132 107.870 107.870 108.525 -0.655 19945 6744 1 7 . 1 1 132 132 GLY C C 132 173.354 173.354 173.605 -0.251 19945 6745 1 7 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.071 0.575 19945 6746 1 7 . 1 1 132 132 GLY H H 132 9.187 9.187 7.905 1.282 19945 6747 1 7 . 1 1 133 133 LEU N N 133 119.088 119.088 119.944 -0.856 19945 6748 1 7 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.262 0.381 19945 6749 1 7 . 1 1 133 133 LEU C C 133 177.748 177.748 177.309 0.439 19945 6750 1 7 . 1 1 133 133 LEU CA C 133 55.476 55.476 56.000 -0.524 19945 6751 1 7 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.693 -1.189 19945 6752 1 7 . 1 1 133 133 LEU H H 133 7.098 7.098 7.525 -0.427 19945 6753 1 7 . 1 1 134 134 ALA N N 134 125.720 125.720 127.844 -2.124 19945 6754 1 7 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.413 -0.176 19945 6755 1 7 . 1 1 134 134 ALA C C 134 176.695 176.695 177.167 -0.472 19945 6756 1 7 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.750 -0.462 19945 6757 1 7 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.897 -1.285 19945 6758 1 7 . 1 1 134 134 ALA H H 134 9.154 9.154 9.001 0.153 19945 6759 1 7 . 1 1 135 135 ASP N N 135 114.952 114.952 116.798 -1.846 19945 6760 1 7 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.870 -0.341 19945 6761 1 7 . 1 1 135 135 ASP C C 135 175.130 175.130 175.431 -0.301 19945 6762 1 7 . 1 1 135 135 ASP CA C 135 52.960 52.960 52.897 0.063 19945 6763 1 7 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.494 -2.966 19945 6764 1 7 . 1 1 135 135 ASP H H 135 8.299 8.299 7.721 0.578 19945 6765 1 7 . 1 1 136 136 ASP N N 136 114.870 114.870 119.370 -4.500 19945 6766 1 7 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.317 0.018 19945 6767 1 7 . 1 1 136 136 ASP C C 136 176.303 176.303 176.018 0.285 19945 6768 1 7 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.727 1.117 19945 6769 1 7 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.082 -0.218 19945 6770 1 7 . 1 1 136 136 ASP H H 136 8.433 8.433 8.635 -0.202 19945 6771 1 7 . 1 1 137 137 ASP N N 137 113.709 113.709 112.734 0.975 19945 6772 1 7 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.687 0.144 19945 6773 1 7 . 1 1 137 137 ASP C C 137 176.514 176.514 175.170 1.344 19945 6774 1 7 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.228 0.089 19945 6775 1 7 . 1 1 137 137 ASP CB C 137 42.458 42.458 40.675 1.784 19945 6776 1 7 . 1 1 137 137 ASP H H 137 8.232 8.232 8.154 0.078 19945 6777 1 7 . 1 1 138 138 HIS N N 138 117.829 117.829 118.817 -0.988 19945 6778 1 7 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.108 0.174 19945 6779 1 7 . 1 1 138 138 HIS C C 138 175.130 175.130 173.366 1.764 19945 6780 1 7 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.966 0.633 19945 6781 1 7 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.126 -1.126 19945 6782 1 7 . 1 1 138 138 HIS H H 138 7.764 7.764 7.878 -0.114 19945 6783 1 7 . 1 1 139 139 PHE N N 139 123.553 123.553 123.054 0.499 19945 6784 1 7 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.718 0.301 19945 6785 1 7 . 1 1 139 139 PHE C C 139 177.477 177.477 177.084 0.393 19945 6786 1 7 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.211 -0.652 19945 6787 1 7 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.827 3.046 19945 6788 1 7 . 1 1 139 139 PHE H H 139 9.955 9.955 9.575 0.380 19945 6789 1 7 . 1 1 140 140 VAL N N 140 119.420 119.420 119.880 -0.460 19945 6790 1 7 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.399 -0.721 19945 6791 1 7 . 1 1 140 140 VAL C C 140 173.023 173.023 175.125 -2.102 19945 6792 1 7 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.049 -1.931 19945 6793 1 7 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.244 0.292 19945 6794 1 7 . 1 1 140 140 VAL H H 140 9.178 9.178 8.784 0.394 19945 6795 1 7 . 1 1 141 141 GLY N N 141 105.680 105.680 103.716 1.964 19945 6796 1 7 . 1 1 141 141 GLY C C 141 171.284 171.284 172.306 -1.022 19945 6797 1 7 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.235 0.486 19945 6798 1 7 . 1 1 141 141 GLY H H 141 6.837 6.837 7.440 -0.603 19945 6799 1 7 . 1 1 142 142 LEU N N 142 118.516 118.516 121.731 -3.215 19945 6800 1 7 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.828 -0.781 19945 6801 1 7 . 1 1 142 142 LEU C C 142 173.725 173.725 174.618 -0.893 19945 6802 1 7 . 1 1 142 142 LEU CA C 142 55.704 55.704 53.705 1.999 19945 6803 1 7 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.237 -1.498 19945 6804 1 7 . 1 1 142 142 LEU H H 142 7.423 7.423 7.602 -0.179 19945 6805 1 7 . 1 1 143 143 ALA N N 143 128.382 128.382 130.423 -2.041 19945 6806 1 7 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.426 0.048 19945 6807 1 7 . 1 1 143 143 ALA C C 143 175.685 175.685 175.749 -0.064 19945 6808 1 7 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.749 -1.118 19945 6809 1 7 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.390 0.457 19945 6810 1 7 . 1 1 143 143 ALA H H 143 5.414 5.414 7.796 -2.382 19945 6811 1 7 . 1 1 144 144 ILE N N 144 126.754 126.754 123.408 3.346 19945 6812 1 7 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.372 -0.057 19945 6813 1 7 . 1 1 144 144 ILE C C 144 173.725 173.725 173.518 0.207 19945 6814 1 7 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.137 -3.416 19945 6815 1 7 . 1 1 144 144 ILE CB C 144 37.630 37.630 40.556 -2.926 19945 6816 1 7 . 1 1 144 144 ILE H H 144 8.849 8.849 8.139 0.710 19945 6817 1 7 . 1 1 145 145 ASP N N 145 125.518 125.518 127.451 -1.933 19945 6818 1 7 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.748 1.048 19945 6819 1 7 . 1 1 145 145 ASP C C 145 176.830 176.830 174.963 1.867 19945 6820 1 7 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.004 -1.451 19945 6821 1 7 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.830 -0.328 19945 6822 1 7 . 1 1 145 145 ASP H H 145 8.088 8.088 8.448 -0.360 19945 6823 1 7 . 1 1 146 146 GLU N N 146 125.475 125.475 122.212 3.263 19945 6824 1 7 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.298 0.365 19945 6825 1 7 . 1 1 146 146 GLU C C 146 177.132 177.132 176.420 0.712 19945 6826 1 7 . 1 1 146 146 GLU CA C 146 56.273 56.273 58.347 -2.074 19945 6827 1 7 . 1 1 146 146 GLU CB C 146 32.250 32.250 30.732 1.518 19945 6828 1 7 . 1 1 146 146 GLU H H 146 8.390 8.390 8.732 -0.342 19945 6829 1 7 . 1 1 147 147 ASP N N 147 120.137 120.137 113.899 6.238 19945 6830 1 7 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.513 0.054 19945 6831 1 7 . 1 1 147 147 ASP C C 147 178.126 178.126 174.366 3.760 19945 6832 1 7 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.270 2.731 19945 6833 1 7 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.162 1.088 19945 6834 1 7 . 1 1 147 147 ASP H H 147 8.599 8.599 7.911 0.688 19945 6835 1 7 . 1 1 148 148 ARG N N 148 115.655 115.655 121.409 -5.754 19945 6836 1 7 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.845 -0.147 19945 6837 1 7 . 1 1 148 148 ARG C C 148 177.704 177.704 174.649 3.055 19945 6838 1 7 . 1 1 148 148 ARG CA C 148 52.960 52.960 54.034 -1.074 19945 6839 1 7 . 1 1 148 148 ARG CB C 148 30.814 30.814 29.710 1.104 19945 6840 1 7 . 1 1 148 148 ARG H H 148 9.762 9.762 7.922 1.840 19945 6841 1 7 . 1 1 149 149 GLN N N 149 116.313 116.313 118.996 -2.683 19945 6842 1 7 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.022 1.277 19945 6843 1 7 . 1 1 149 149 GLN C C 149 175.142 175.142 173.489 1.653 19945 6844 1 7 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.375 -2.974 19945 6845 1 7 . 1 1 149 149 GLN CB C 149 30.841 30.841 26.927 3.914 19945 6846 1 7 . 1 1 149 149 GLN H H 149 7.622 7.622 8.266 -0.644 19945 6847 1 7 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.597 0.084 19945 6848 1 7 . 1 1 150 150 PRO C C 150 179.483 179.483 175.911 3.572 19945 6849 1 7 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.019 2.307 19945 6850 1 7 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.262 -1.610 19945 6851 1 7 . 1 1 151 151 GLU N N 151 122.981 122.981 119.350 3.631 19945 6852 1 7 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.496 -0.095 19945 6853 1 7 . 1 1 151 151 GLU C C 151 177.041 177.041 177.285 -0.244 19945 6854 1 7 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.573 1.825 19945 6855 1 7 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.747 -4.165 19945 6856 1 7 . 1 1 151 151 GLU H H 151 10.520 10.520 9.440 1.080 19945 6857 1 7 . 1 1 152 152 LEU N N 152 120.119 120.119 120.616 -0.497 19945 6858 1 7 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.704 -0.013 19945 6859 1 7 . 1 1 152 152 LEU C C 152 177.222 177.222 177.351 -0.129 19945 6860 1 7 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.193 0.116 19945 6861 1 7 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.390 0.545 19945 6862 1 7 . 1 1 152 152 LEU H H 152 7.589 7.589 8.730 -1.141 19945 6863 1 7 . 1 1 153 153 THR N N 153 119.637 119.637 117.645 1.992 19945 6864 1 7 . 1 1 153 153 THR HA H 153 3.592 3.592 3.787 -0.195 19945 6865 1 7 . 1 1 153 153 THR C C 153 174.178 174.178 176.024 -1.846 19945 6866 1 7 . 1 1 153 153 THR CA C 153 67.960 67.960 67.612 0.347 19945 6867 1 7 . 1 1 153 153 THR CB C 153 69.023 69.023 68.039 0.984 19945 6868 1 7 . 1 1 153 153 THR H H 153 7.469 7.469 8.276 -0.807 19945 6869 1 7 . 1 1 154 154 ALA N N 154 123.665 123.665 122.292 1.373 19945 6870 1 7 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.202 -0.314 19945 6871 1 7 . 1 1 154 154 ALA C C 154 180.417 180.417 179.193 1.224 19945 6872 1 7 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.377 2.161 19945 6873 1 7 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.472 -1.250 19945 6874 1 7 . 1 1 154 154 ALA H H 154 9.077 9.077 8.574 0.503 19945 6875 1 7 . 1 1 155 155 GLU N N 155 119.661 119.661 119.559 0.102 19945 6876 1 7 . 1 1 155 155 GLU HA H 155 4.252 4.252 3.953 0.299 19945 6877 1 7 . 1 1 155 155 GLU C C 155 178.518 178.518 179.164 -0.646 19945 6878 1 7 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.788 -0.970 19945 6879 1 7 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.375 0.332 19945 6880 1 7 . 1 1 155 155 GLU H H 155 8.647 8.647 8.309 0.338 19945 6881 1 7 . 1 1 156 156 ARG N N 156 120.739 120.739 119.370 1.369 19945 6882 1 7 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.120 0.098 19945 6883 1 7 . 1 1 156 156 ARG C C 156 177.252 177.252 178.947 -1.695 19945 6884 1 7 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.452 1.018 19945 6885 1 7 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.329 0.694 19945 6886 1 7 . 1 1 156 156 ARG H H 156 8.129 8.129 8.446 -0.317 19945 6887 1 7 . 1 1 157 157 VAL N N 157 117.372 117.372 119.888 -2.516 19945 6888 1 7 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.542 -0.223 19945 6889 1 7 . 1 1 157 157 VAL C C 157 177.192 177.192 177.732 -0.540 19945 6890 1 7 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.404 0.996 19945 6891 1 7 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.395 0.437 19945 6892 1 7 . 1 1 157 157 VAL H H 157 8.578 8.578 7.678 0.900 19945 6893 1 7 . 1 1 158 158 GLU N N 158 118.631 118.631 121.465 -2.834 19945 6894 1 7 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.209 -0.012 19945 6895 1 7 . 1 1 158 158 GLU C C 158 179.995 179.995 179.285 0.710 19945 6896 1 7 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.914 -0.176 19945 6897 1 7 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.516 -0.339 19945 6898 1 7 . 1 1 158 158 GLU H H 158 8.046 8.046 8.388 -0.342 19945 6899 1 7 . 1 1 159 159 LYS N N 159 118.860 118.860 119.231 -0.371 19945 6900 1 7 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.104 0.082 19945 6901 1 7 . 1 1 159 159 LYS C C 159 179.844 179.844 179.295 0.549 19945 6902 1 7 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.346 0.649 19945 6903 1 7 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.509 1.183 19945 6904 1 7 . 1 1 159 159 LYS H H 159 8.522 8.522 8.333 0.189 19945 6905 1 7 . 1 1 160 160 TRP N N 160 125.100 125.100 121.887 3.213 19945 6906 1 7 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.502 -0.132 19945 6907 1 7 . 1 1 160 160 TRP C C 160 178.006 178.006 177.723 0.283 19945 6908 1 7 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.581 1.234 19945 6909 1 7 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.241 -0.450 19945 6910 1 7 . 1 1 160 160 TRP H H 160 9.076 9.076 8.181 0.895 19945 6911 1 7 . 1 1 161 161 VAL N N 161 118.402 118.402 119.529 -1.127 19945 6912 1 7 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.089 0.281 19945 6913 1 7 . 1 1 161 161 VAL C C 161 179.392 179.392 178.110 1.282 19945 6914 1 7 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.668 0.336 19945 6915 1 7 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.266 -0.916 19945 6916 1 7 . 1 1 161 161 VAL H H 161 9.024 9.024 8.563 0.461 19945 6917 1 7 . 1 1 162 162 LYS N N 162 123.209 123.209 118.884 4.325 19945 6918 1 7 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.874 0.128 19945 6919 1 7 . 1 1 162 162 LYS C C 162 178.759 178.759 178.879 -0.120 19945 6920 1 7 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.989 0.383 19945 6921 1 7 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.037 0.327 19945 6922 1 7 . 1 1 162 162 LYS H H 162 7.820 7.820 8.230 -0.410 19945 6923 1 7 . 1 1 163 163 GLN N N 163 121.722 121.722 117.771 3.951 19945 6924 1 7 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.100 0.090 19945 6925 1 7 . 1 1 163 163 GLN C C 163 179.935 179.935 178.276 1.659 19945 6926 1 7 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.150 1.576 19945 6927 1 7 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.788 0.234 19945 6928 1 7 . 1 1 163 163 GLN H H 163 8.126 8.126 7.506 0.620 19945 6929 1 7 . 1 1 164 164 ILE N N 164 114.390 114.390 117.478 -3.088 19945 6930 1 7 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.526 0.464 19945 6931 1 7 . 1 1 164 164 ILE C C 164 178.156 178.156 177.620 0.536 19945 6932 1 7 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.721 0.455 19945 6933 1 7 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.985 0.693 19945 6934 1 7 . 1 1 164 164 ILE H H 164 9.110 9.110 8.049 1.061 19945 6935 1 7 . 1 1 165 165 SER N N 165 119.660 119.660 116.567 3.093 19945 6936 1 7 . 1 1 165 165 SER HA H 165 3.976 3.976 3.990 -0.014 19945 6937 1 7 . 1 1 165 165 SER C C 165 176.438 176.438 176.319 0.119 19945 6938 1 7 . 1 1 165 165 SER CA C 165 63.180 63.180 62.823 0.357 19945 6939 1 7 . 1 1 165 165 SER CB C 165 62.383 62.383 62.620 -0.237 19945 6940 1 7 . 1 1 165 165 SER H H 165 8.278 8.278 8.412 -0.134 19945 6941 1 7 . 1 1 166 166 GLU N N 166 122.290 122.290 119.607 2.683 19945 6942 1 7 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.127 0.083 19945 6943 1 7 . 1 1 166 166 GLU C C 166 179.965 179.965 177.751 2.214 19945 6944 1 7 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.087 1.108 19945 6945 1 7 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.276 -0.032 19945 6946 1 7 . 1 1 166 166 GLU H H 166 7.345 7.345 7.522 -0.177 19945 6947 1 7 . 1 1 167 167 GLU N N 167 120.787 120.787 118.758 2.029 19945 6948 1 7 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.010 -0.071 19945 6949 1 7 . 1 1 167 167 GLU C C 167 178.518 178.518 177.862 0.656 19945 6950 1 7 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.216 1.784 19945 6951 1 7 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.101 0.699 19945 6952 1 7 . 1 1 167 167 GLU H H 167 8.413 8.413 7.629 0.784 19945 6953 1 7 . 1 1 168 168 LEU N N 168 115.420 115.420 117.129 -1.709 19945 6954 1 7 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.261 -0.124 19945 6955 1 7 . 1 1 168 168 LEU C C 168 175.896 175.896 176.458 -0.562 19945 6956 1 7 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.005 -0.225 19945 6957 1 7 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.214 1.086 19945 6958 1 7 . 1 1 168 168 LEU H H 168 8.553 8.553 8.135 0.418 19945 6959 1 7 . 1 1 169 169 HIS N N 169 113.347 113.347 112.675 0.672 19945 6960 1 7 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.281 0.070 19945 6961 1 7 . 1 1 169 169 HIS C C 169 175.835 175.835 175.545 0.290 19945 6962 1 7 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.026 -0.753 19945 6963 1 7 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.684 -0.962 19945 6964 1 7 . 1 1 169 169 HIS H H 169 7.550 7.550 7.766 -0.216 19945 6965 1 7 . 1 1 170 170 LEU N N 170 117.250 117.250 117.595 -0.345 19945 6966 1 7 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.194 -0.191 19945 6967 1 7 . 1 1 170 170 LEU C C 170 178.096 178.096 177.692 0.404 19945 6968 1 7 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.349 1.619 19945 6969 1 7 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.480 0.378 19945 6970 1 7 . 1 1 170 170 LEU H H 170 8.069 8.069 7.915 0.154 19945 6971 1 7 . 1 1 171 171 ASP N N 171 117.300 117.300 120.577 -3.277 19945 6972 1 7 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.214 0.121 19945 6973 1 7 . 1 1 171 171 ASP C C 171 177.915 177.915 177.812 0.103 19945 6974 1 7 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.176 -1.486 19945 6975 1 7 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.786 -0.726 19945 6976 1 7 . 1 1 171 171 ASP H H 171 8.732 8.732 8.362 0.370 19945 6977 1 7 . 1 1 172 172 GLU N N 172 119.203 119.203 116.980 2.223 19945 6978 1 7 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.150 0.077 19945 6979 1 7 . 1 1 172 172 GLU C C 172 178.277 178.277 177.844 0.433 19945 6980 1 7 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.164 -0.033 19945 6981 1 7 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.645 0.355 19945 6982 1 7 . 1 1 172 172 GLU H H 172 7.804 7.804 8.324 -0.520 19945 6983 1 7 . 1 1 173 173 ILE N N 173 119.519 119.519 118.762 0.757 19945 6984 1 7 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.004 0.049 19945 6985 1 7 . 1 1 173 173 ILE C C 173 178.006 178.006 178.087 -0.081 19945 6986 1 7 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.813 -0.213 19945 6987 1 7 . 1 1 173 173 ILE CB C 173 39.000 39.000 38.820 0.180 19945 6988 1 7 . 1 1 173 173 ILE H H 173 7.787 7.787 7.687 0.100 19945 6989 1 7 . 1 1 174 174 LEU N N 174 121.260 121.260 117.458 3.802 19945 6990 1 7 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.256 0.030 19945 6991 1 7 . 1 1 174 174 LEU C C 174 177.704 177.704 177.482 0.222 19945 6992 1 7 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.203 -0.930 19945 6993 1 7 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.368 0.091 19945 6994 1 7 . 1 1 174 174 LEU H H 174 8.241 8.241 8.269 -0.028 19945 6995 1 7 . 1 1 175 175 ASN N N 175 118.280 118.280 118.253 0.027 19945 6996 1 7 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.843 -0.014 19945 6997 1 7 . 1 1 175 175 ASN C C 175 173.846 173.846 174.568 -0.722 19945 6998 1 7 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.860 1.362 19945 6999 1 7 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.103 0.168 19945 7000 1 7 . 1 1 175 175 ASN H H 175 7.883 7.883 8.056 -0.173 19945 7001 1 8 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.849 -0.597 19945 7002 1 8 . 1 1 2 2 ALA C C 2 174.479 174.479 177.959 -3.480 19945 7003 1 8 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.415 2.053 19945 7004 1 8 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.462 -1.295 19945 7005 1 8 . 1 1 3 3 ILE N N 3 116.571 116.571 114.823 1.748 19945 7006 1 8 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.273 0.272 19945 7007 1 8 . 1 1 3 3 ILE C C 3 175.806 175.806 175.758 0.048 19945 7008 1 8 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.419 0.776 19945 7009 1 8 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.527 0.883 19945 7010 1 8 . 1 1 3 3 ILE H H 3 8.456 8.456 8.122 0.334 19945 7011 1 8 . 1 1 4 4 THR N N 4 115.734 115.734 117.434 -1.700 19945 7012 1 8 . 1 1 4 4 THR HA H 4 5.124 5.124 5.167 -0.043 19945 7013 1 8 . 1 1 4 4 THR C C 4 172.410 172.410 173.635 -1.225 19945 7014 1 8 . 1 1 4 4 THR CA C 4 61.724 61.724 61.153 0.571 19945 7015 1 8 . 1 1 4 4 THR CB C 4 70.059 70.059 70.810 -0.751 19945 7016 1 8 . 1 1 4 4 THR H H 4 8.244 8.244 7.982 0.262 19945 7017 1 8 . 1 1 5 5 GLY N N 5 116.016 116.016 112.481 3.535 19945 7018 1 8 . 1 1 5 5 GLY C C 5 171.077 171.077 172.326 -1.249 19945 7019 1 8 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.157 0.352 19945 7020 1 8 . 1 1 5 5 GLY H H 5 8.554 8.554 8.901 -0.347 19945 7021 1 8 . 1 1 6 6 ILE N N 6 126.504 126.504 126.442 0.062 19945 7022 1 8 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.935 0.516 19945 7023 1 8 . 1 1 6 6 ILE C C 6 175.245 175.245 174.911 0.334 19945 7024 1 8 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.533 -0.615 19945 7025 1 8 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.051 0.157 19945 7026 1 8 . 1 1 6 6 ILE H H 6 8.719 8.719 8.977 -0.258 19945 7027 1 8 . 1 1 7 7 PHE N N 7 127.559 127.559 127.041 0.518 19945 7028 1 8 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.212 0.401 19945 7029 1 8 . 1 1 7 7 PHE C C 7 174.634 174.634 175.336 -0.702 19945 7030 1 8 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.697 -1.034 19945 7031 1 8 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.184 1.504 19945 7032 1 8 . 1 1 7 7 PHE H H 7 9.609 9.609 9.508 0.101 19945 7033 1 8 . 1 1 8 8 PHE N N 8 120.006 120.006 121.042 -1.036 19945 7034 1 8 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.187 1.037 19945 7035 1 8 . 1 1 8 8 PHE C C 8 171.212 171.212 174.396 -3.184 19945 7036 1 8 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.059 -0.379 19945 7037 1 8 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.095 2.426 19945 7038 1 8 . 1 1 8 8 PHE H H 8 8.545 8.545 8.826 -0.281 19945 7039 1 8 . 1 1 9 9 GLY N N 9 109.650 109.650 111.308 -1.658 19945 7040 1 8 . 1 1 9 9 GLY C C 9 172.512 172.512 172.921 -0.409 19945 7041 1 8 . 1 1 9 9 GLY CA C 9 44.318 44.318 44.080 0.238 19945 7042 1 8 . 1 1 9 9 GLY H H 9 7.701 7.701 7.773 -0.072 19945 7043 1 8 . 1 1 10 10 SER N N 10 115.953 115.953 116.154 -0.201 19945 7044 1 8 . 1 1 10 10 SER HA H 10 5.001 5.001 4.625 0.376 19945 7045 1 8 . 1 1 10 10 SER C C 10 173.439 173.439 172.299 1.140 19945 7046 1 8 . 1 1 10 10 SER CA C 10 58.308 58.308 57.854 0.454 19945 7047 1 8 . 1 1 10 10 SER CB C 10 66.423 66.423 66.736 -0.313 19945 7048 1 8 . 1 1 10 10 SER H H 10 8.634 8.634 7.972 0.662 19945 7049 1 8 . 1 1 11 11 ASP N N 11 104.000 104.000 119.072 -15.072 19945 7050 1 8 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.690 0.284 19945 7051 1 8 . 1 1 11 11 ASP C C 11 179.108 179.108 176.959 2.149 19945 7052 1 8 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.355 0.194 19945 7053 1 8 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.017 -0.917 19945 7054 1 8 . 1 1 11 11 ASP H H 11 11.201 11.201 8.596 2.605 19945 7055 1 8 . 1 1 12 12 THR N N 12 112.000 112.000 111.388 0.612 19945 7056 1 8 . 1 1 12 12 THR HA H 12 4.804 4.804 4.604 0.200 19945 7057 1 8 . 1 1 12 12 THR C C 12 175.080 175.080 175.158 -0.078 19945 7058 1 8 . 1 1 12 12 THR CA C 12 60.237 60.237 62.899 -2.662 19945 7059 1 8 . 1 1 12 12 THR CB C 12 68.567 68.567 69.739 -1.172 19945 7060 1 8 . 1 1 12 12 THR H H 12 9.311 9.311 8.273 1.038 19945 7061 1 8 . 1 1 13 13 GLY N N 13 112.221 112.221 110.575 1.646 19945 7062 1 8 . 1 1 13 13 GLY C C 13 176.690 176.690 175.164 1.526 19945 7063 1 8 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.381 0.919 19945 7064 1 8 . 1 1 13 13 GLY H H 13 8.000 8.000 8.162 -0.162 19945 7065 1 8 . 1 1 14 14 ASN N N 14 128.520 128.520 118.717 9.803 19945 7066 1 8 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.535 0.091 19945 7067 1 8 . 1 1 14 14 ASN C C 14 178.888 178.888 176.916 1.972 19945 7068 1 8 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.733 1.331 19945 7069 1 8 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.873 -2.039 19945 7070 1 8 . 1 1 14 14 ASN H H 14 11.112 11.112 8.167 2.945 19945 7071 1 8 . 1 1 15 15 THR N N 15 122.550 122.550 117.536 5.014 19945 7072 1 8 . 1 1 15 15 THR HA H 15 4.369 4.369 4.088 0.281 19945 7073 1 8 . 1 1 15 15 THR C C 15 176.786 176.786 175.881 0.905 19945 7074 1 8 . 1 1 15 15 THR CA C 15 67.325 67.325 65.792 1.533 19945 7075 1 8 . 1 1 15 15 THR CB C 15 67.961 67.961 68.575 -0.614 19945 7076 1 8 . 1 1 15 15 THR H H 15 11.327 11.327 7.785 3.542 19945 7077 1 8 . 1 1 16 16 GLU N N 16 120.578 120.578 122.530 -1.952 19945 7078 1 8 . 1 1 16 16 GLU HA H 16 2.287 2.287 3.167 -0.880 19945 7079 1 8 . 1 1 16 16 GLU C C 16 176.642 176.642 177.992 -1.350 19945 7080 1 8 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.665 -0.596 19945 7081 1 8 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.087 -0.710 19945 7082 1 8 . 1 1 16 16 GLU H H 16 6.590 6.590 8.167 -1.577 19945 7083 1 8 . 1 1 17 17 ASN N N 17 118.000 118.000 117.853 0.147 19945 7084 1 8 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.428 -0.118 19945 7085 1 8 . 1 1 17 17 ASN C C 17 178.255 178.255 177.724 0.531 19945 7086 1 8 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.882 0.419 19945 7087 1 8 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.089 -0.451 19945 7088 1 8 . 1 1 17 17 ASN H H 17 7.705 7.705 7.527 0.178 19945 7089 1 8 . 1 1 18 18 ILE N N 18 119.430 119.430 120.265 -0.835 19945 7090 1 8 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.749 -0.097 19945 7091 1 8 . 1 1 18 18 ILE C C 18 177.564 177.564 177.711 -0.147 19945 7092 1 8 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.277 -0.777 19945 7093 1 8 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.430 -1.879 19945 7094 1 8 . 1 1 18 18 ILE H H 18 8.141 8.141 7.402 0.739 19945 7095 1 8 . 1 1 19 19 ALA N N 19 123.208 123.208 122.765 0.443 19945 7096 1 8 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.877 -0.208 19945 7097 1 8 . 1 1 19 19 ALA C C 19 178.888 178.888 179.731 -0.843 19945 7098 1 8 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.642 0.013 19945 7099 1 8 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.326 0.489 19945 7100 1 8 . 1 1 19 19 ALA H H 19 8.304 8.304 8.120 0.184 19945 7101 1 8 . 1 1 20 20 LYS N N 20 116.460 116.460 118.407 -1.947 19945 7102 1 8 . 1 1 20 20 LYS HA H 20 3.816 3.816 4.032 -0.216 19945 7103 1 8 . 1 1 20 20 LYS C C 20 179.666 179.666 179.163 0.503 19945 7104 1 8 . 1 1 20 20 LYS CA C 20 59.822 59.822 58.838 0.984 19945 7105 1 8 . 1 1 20 20 LYS CB C 20 32.098 32.098 31.953 0.145 19945 7106 1 8 . 1 1 20 20 LYS H H 20 7.722 7.722 8.052 -0.330 19945 7107 1 8 . 1 1 21 21 MET N N 21 123.880 123.880 118.925 4.955 19945 7108 1 8 . 1 1 21 21 MET HA H 21 3.946 3.946 4.037 -0.091 19945 7109 1 8 . 1 1 21 21 MET C C 21 179.435 179.435 178.627 0.808 19945 7110 1 8 . 1 1 21 21 MET CA C 21 59.662 59.662 59.636 0.026 19945 7111 1 8 . 1 1 21 21 MET CB C 21 34.262 34.262 32.476 1.786 19945 7112 1 8 . 1 1 21 21 MET H H 21 8.336 8.336 8.244 0.092 19945 7113 1 8 . 1 1 22 22 ILE N N 22 122.065 122.065 120.457 1.608 19945 7114 1 8 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.574 -0.329 19945 7115 1 8 . 1 1 22 22 ILE C C 22 177.592 177.592 178.057 -0.465 19945 7116 1 8 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.534 0.190 19945 7117 1 8 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.590 0.087 19945 7118 1 8 . 1 1 22 22 ILE H H 22 8.500 8.500 8.271 0.229 19945 7119 1 8 . 1 1 23 23 GLN N N 23 119.264 119.264 119.740 -0.476 19945 7120 1 8 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.841 -0.397 19945 7121 1 8 . 1 1 23 23 GLN C C 23 177.017 177.017 178.266 -1.249 19945 7122 1 8 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.460 0.231 19945 7123 1 8 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.509 -0.661 19945 7124 1 8 . 1 1 23 23 GLN H H 23 7.985 7.985 8.372 -0.387 19945 7125 1 8 . 1 1 24 24 LYS N N 24 118.970 118.970 118.065 0.905 19945 7126 1 8 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.024 -0.104 19945 7127 1 8 . 1 1 24 24 LYS C C 24 178.427 178.427 179.171 -0.744 19945 7128 1 8 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.597 0.562 19945 7129 1 8 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.977 0.387 19945 7130 1 8 . 1 1 24 24 LYS H H 24 7.942 7.942 8.146 -0.204 19945 7131 1 8 . 1 1 25 25 GLN N N 25 118.400 118.400 117.113 1.287 19945 7132 1 8 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.119 -0.116 19945 7133 1 8 . 1 1 25 25 GLN C C 25 178.226 178.226 177.944 0.282 19945 7134 1 8 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.895 0.188 19945 7135 1 8 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.062 -0.152 19945 7136 1 8 . 1 1 25 25 GLN H H 25 7.636 7.636 7.552 0.084 19945 7137 1 8 . 1 1 26 26 LEU N N 26 119.080 119.080 117.077 2.003 19945 7138 1 8 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.283 -0.264 19945 7139 1 8 . 1 1 26 26 LEU C C 26 177.247 177.247 176.848 0.399 19945 7140 1 8 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.084 0.985 19945 7141 1 8 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.016 0.133 19945 7142 1 8 . 1 1 26 26 LEU H H 26 8.098 8.098 7.758 0.340 19945 7143 1 8 . 1 1 27 27 GLY N N 27 107.750 107.750 105.562 2.188 19945 7144 1 8 . 1 1 27 27 GLY C C 27 175.231 175.231 173.599 1.632 19945 7145 1 8 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.647 -0.587 19945 7146 1 8 . 1 1 27 27 GLY H H 27 8.050 8.050 7.896 0.154 19945 7147 1 8 . 1 1 28 28 LYS N N 28 125.187 125.187 123.043 2.144 19945 7148 1 8 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.321 -0.098 19945 7149 1 8 . 1 1 28 28 LYS C C 28 176.372 176.372 177.071 -0.699 19945 7150 1 8 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.312 0.617 19945 7151 1 8 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.513 -0.415 19945 7152 1 8 . 1 1 28 28 LYS H H 28 8.786 8.786 8.635 0.151 19945 7153 1 8 . 1 1 29 29 ASP N N 29 115.960 115.960 116.546 -0.586 19945 7154 1 8 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.529 0.046 19945 7155 1 8 . 1 1 29 29 ASP C C 29 176.437 176.437 177.642 -1.205 19945 7156 1 8 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.426 -1.216 19945 7157 1 8 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.788 -0.987 19945 7158 1 8 . 1 1 29 29 ASP H H 29 8.919 8.919 8.443 0.476 19945 7159 1 8 . 1 1 30 30 VAL N N 30 120.609 120.609 117.511 3.098 19945 7160 1 8 . 1 1 30 30 VAL HA H 30 4.056 4.056 3.972 0.084 19945 7161 1 8 . 1 1 30 30 VAL C C 30 174.656 174.656 174.934 -0.278 19945 7162 1 8 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.570 0.150 19945 7163 1 8 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.708 0.130 19945 7164 1 8 . 1 1 30 30 VAL H H 30 7.573 7.573 7.499 0.074 19945 7165 1 8 . 1 1 31 31 ALA N N 31 123.100 123.100 119.300 3.800 19945 7166 1 8 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.211 0.320 19945 7167 1 8 . 1 1 31 31 ALA C C 31 175.174 175.174 174.671 0.503 19945 7168 1 8 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.714 -0.552 19945 7169 1 8 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.670 0.661 19945 7170 1 8 . 1 1 31 31 ALA H H 31 7.951 7.951 8.045 -0.094 19945 7171 1 8 . 1 1 32 32 ASP N N 32 121.576 121.576 121.549 0.027 19945 7172 1 8 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.121 -0.252 19945 7173 1 8 . 1 1 32 32 ASP C C 32 174.771 174.771 174.486 0.285 19945 7174 1 8 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.592 -0.180 19945 7175 1 8 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.034 -1.247 19945 7176 1 8 . 1 1 32 32 ASP H H 32 8.175 8.175 8.693 -0.518 19945 7177 1 8 . 1 1 33 33 VAL N N 33 120.428 120.428 124.032 -3.604 19945 7178 1 8 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.693 -0.036 19945 7179 1 8 . 1 1 33 33 VAL C C 33 174.252 174.252 175.123 -0.871 19945 7180 1 8 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.516 -1.213 19945 7181 1 8 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.737 1.139 19945 7182 1 8 . 1 1 33 33 VAL H H 33 8.397 8.397 8.535 -0.138 19945 7183 1 8 . 1 1 34 34 HIS N N 34 125.285 125.285 126.494 -1.209 19945 7184 1 8 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.917 -0.364 19945 7185 1 8 . 1 1 34 34 HIS C C 34 171.920 171.920 172.298 -0.378 19945 7186 1 8 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.049 -1.478 19945 7187 1 8 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.296 -0.876 19945 7188 1 8 . 1 1 34 34 HIS H H 34 8.945 8.945 9.352 -0.407 19945 7189 1 8 . 1 1 35 35 ASP N N 35 124.120 124.120 119.906 4.214 19945 7190 1 8 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.768 -1.471 19945 7191 1 8 . 1 1 35 35 ASP C C 35 179.780 179.780 176.261 3.519 19945 7192 1 8 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.330 -0.573 19945 7193 1 8 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.051 -1.655 19945 7194 1 8 . 1 1 35 35 ASP H H 35 8.589 8.589 8.709 -0.120 19945 7195 1 8 . 1 1 36 36 ILE N N 36 106.681 106.681 126.078 -19.397 19945 7196 1 8 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.259 0.295 19945 7197 1 8 . 1 1 36 36 ILE C C 36 175.404 175.404 175.685 -0.281 19945 7198 1 8 . 1 1 36 36 ILE CA C 36 59.350 59.350 61.667 -2.317 19945 7199 1 8 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.054 2.217 19945 7200 1 8 . 1 1 36 36 ILE H H 36 9.705 9.705 8.521 1.184 19945 7201 1 8 . 1 1 37 37 ALA N N 37 123.095 123.095 119.556 3.539 19945 7202 1 8 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.007 0.082 19945 7203 1 8 . 1 1 37 37 ALA C C 37 178.140 178.140 178.575 -0.435 19945 7204 1 8 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.074 -0.458 19945 7205 1 8 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.731 0.615 19945 7206 1 8 . 1 1 37 37 ALA H H 37 8.261 8.261 7.847 0.414 19945 7207 1 8 . 1 1 38 38 LYS N N 38 115.312 115.312 118.029 -2.717 19945 7208 1 8 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.290 0.321 19945 7209 1 8 . 1 1 38 38 LYS C C 38 176.498 176.498 176.933 -0.435 19945 7210 1 8 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.788 -2.641 19945 7211 1 8 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.295 0.131 19945 7212 1 8 . 1 1 38 38 LYS H H 38 7.437 7.437 7.782 -0.345 19945 7213 1 8 . 1 1 39 39 SER N N 39 115.623 115.623 114.903 0.720 19945 7214 1 8 . 1 1 39 39 SER HA H 39 5.019 5.019 4.441 0.578 19945 7215 1 8 . 1 1 39 39 SER C C 39 171.402 171.402 173.415 -2.013 19945 7216 1 8 . 1 1 39 39 SER CA C 39 58.929 58.929 59.855 -0.926 19945 7217 1 8 . 1 1 39 39 SER CB C 39 65.538 65.538 64.007 1.530 19945 7218 1 8 . 1 1 39 39 SER H H 39 7.051 7.051 7.462 -0.411 19945 7219 1 8 . 1 1 40 40 SER N N 40 118.860 118.860 115.441 3.419 19945 7220 1 8 . 1 1 40 40 SER HA H 40 5.025 5.025 4.904 0.121 19945 7221 1 8 . 1 1 40 40 SER C C 40 174.741 174.741 174.819 -0.078 19945 7222 1 8 . 1 1 40 40 SER CA C 40 56.003 56.003 56.912 -0.909 19945 7223 1 8 . 1 1 40 40 SER CB C 40 67.416 67.416 66.287 1.129 19945 7224 1 8 . 1 1 40 40 SER H H 40 9.377 9.377 8.321 1.056 19945 7225 1 8 . 1 1 41 41 LYS N N 41 122.504 122.504 122.926 -0.422 19945 7226 1 8 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.039 -0.301 19945 7227 1 8 . 1 1 41 41 LYS C C 41 177.391 177.391 178.415 -1.024 19945 7228 1 8 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.772 1.201 19945 7229 1 8 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.448 0.859 19945 7230 1 8 . 1 1 41 41 LYS H H 41 9.098 9.098 8.819 0.279 19945 7231 1 8 . 1 1 42 42 GLU N N 42 115.836 115.836 115.399 0.437 19945 7232 1 8 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.154 -0.026 19945 7233 1 8 . 1 1 42 42 GLU C C 42 178.773 178.773 177.941 0.832 19945 7234 1 8 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.129 1.863 19945 7235 1 8 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.334 -0.690 19945 7236 1 8 . 1 1 42 42 GLU H H 42 8.839 8.839 8.663 0.176 19945 7237 1 8 . 1 1 43 43 ASP N N 43 119.589 119.589 120.858 -1.269 19945 7238 1 8 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.548 -0.062 19945 7239 1 8 . 1 1 43 43 ASP C C 43 177.564 177.564 177.980 -0.416 19945 7240 1 8 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.527 1.074 19945 7241 1 8 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.008 -0.202 19945 7242 1 8 . 1 1 43 43 ASP H H 43 7.794 7.794 7.613 0.181 19945 7243 1 8 . 1 1 44 44 LEU N N 44 118.745 118.745 119.669 -0.924 19945 7244 1 8 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.330 -0.359 19945 7245 1 8 . 1 1 44 44 LEU C C 44 178.600 178.600 179.025 -0.425 19945 7246 1 8 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.337 1.545 19945 7247 1 8 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.222 0.502 19945 7248 1 8 . 1 1 44 44 LEU H H 44 6.854 6.854 7.665 -0.811 19945 7249 1 8 . 1 1 45 45 GLU N N 45 114.280 114.280 118.753 -4.473 19945 7250 1 8 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.974 -0.347 19945 7251 1 8 . 1 1 45 45 GLU C C 45 176.988 176.988 178.448 -1.460 19945 7252 1 8 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.886 -0.210 19945 7253 1 8 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.149 1.089 19945 7254 1 8 . 1 1 45 45 GLU H H 45 7.571 7.571 7.726 -0.155 19945 7255 1 8 . 1 1 46 46 ALA N N 46 118.860 118.860 121.420 -2.560 19945 7256 1 8 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.109 -0.071 19945 7257 1 8 . 1 1 46 46 ALA C C 46 176.901 176.901 177.968 -1.067 19945 7258 1 8 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.236 0.083 19945 7259 1 8 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.844 0.237 19945 7260 1 8 . 1 1 46 46 ALA H H 46 7.026 7.026 7.432 -0.406 19945 7261 1 8 . 1 1 47 47 TYR N N 47 115.674 115.674 116.636 -0.962 19945 7262 1 8 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.467 0.264 19945 7263 1 8 . 1 1 47 47 TYR C C 47 175.807 175.807 175.751 0.056 19945 7264 1 8 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.870 -2.263 19945 7265 1 8 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.776 1.886 19945 7266 1 8 . 1 1 47 47 TYR H H 47 7.277 7.277 7.559 -0.282 19945 7267 1 8 . 1 1 48 48 ASP N N 48 121.598 121.598 120.754 0.844 19945 7268 1 8 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.947 -0.039 19945 7269 1 8 . 1 1 48 48 ASP C C 48 175.030 175.030 175.322 -0.292 19945 7270 1 8 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.667 0.541 19945 7271 1 8 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.904 -1.258 19945 7272 1 8 . 1 1 48 48 ASP H H 48 9.546 9.546 8.592 0.954 19945 7273 1 8 . 1 1 49 49 ILE N N 49 119.608 119.608 120.374 -0.766 19945 7274 1 8 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.105 0.189 19945 7275 1 8 . 1 1 49 49 ILE C C 49 175.059 175.059 174.537 0.522 19945 7276 1 8 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.313 0.217 19945 7277 1 8 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.907 0.161 19945 7278 1 8 . 1 1 49 49 ILE H H 49 7.331 7.331 7.692 -0.361 19945 7279 1 8 . 1 1 50 50 LEU N N 50 127.901 127.901 127.207 0.694 19945 7280 1 8 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.251 0.409 19945 7281 1 8 . 1 1 50 50 LEU C C 50 174.598 174.598 175.286 -0.688 19945 7282 1 8 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.774 -0.955 19945 7283 1 8 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.821 3.216 19945 7284 1 8 . 1 1 50 50 LEU H H 50 9.095 9.095 9.068 0.027 19945 7285 1 8 . 1 1 51 51 LEU N N 51 123.440 123.440 124.985 -1.545 19945 7286 1 8 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.344 0.688 19945 7287 1 8 . 1 1 51 51 LEU C C 51 175.894 175.894 175.354 0.540 19945 7288 1 8 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.102 -0.791 19945 7289 1 8 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.365 -0.047 19945 7290 1 8 . 1 1 51 51 LEU H H 51 9.275 9.275 9.447 -0.172 19945 7291 1 8 . 1 1 52 52 LEU N N 52 123.320 123.320 125.475 -2.155 19945 7292 1 8 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.242 0.414 19945 7293 1 8 . 1 1 52 52 LEU C C 52 173.763 173.763 175.750 -1.987 19945 7294 1 8 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.638 -0.761 19945 7295 1 8 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.675 -2.189 19945 7296 1 8 . 1 1 52 52 LEU H H 52 9.024 9.024 9.276 -0.252 19945 7297 1 8 . 1 1 53 53 GLY N N 53 110.739 110.739 111.843 -1.104 19945 7298 1 8 . 1 1 53 53 GLY C C 53 174.530 174.530 171.484 3.046 19945 7299 1 8 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.951 0.038 19945 7300 1 8 . 1 1 53 53 GLY H H 53 9.283 9.283 9.290 -0.007 19945 7301 1 8 . 1 1 54 54 ILE N N 54 126.032 126.032 123.852 2.180 19945 7302 1 8 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.046 1.160 19945 7303 1 8 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.906 -0.899 19945 7304 1 8 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.747 1.243 19945 7305 1 8 . 1 1 54 54 ILE H H 54 9.136 9.136 8.572 0.564 19945 7306 1 8 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.835 0.482 19945 7307 1 8 . 1 1 55 55 PRO C C 55 174.771 174.771 176.256 -1.485 19945 7308 1 8 . 1 1 55 55 PRO CA C 55 61.748 61.748 62.024 -0.276 19945 7309 1 8 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.764 0.250 19945 7310 1 8 . 1 1 56 56 THR N N 56 113.710 113.710 116.650 -2.940 19945 7311 1 8 . 1 1 56 56 THR HA H 56 4.582 4.582 4.824 -0.242 19945 7312 1 8 . 1 1 56 56 THR C C 56 171.719 171.719 173.871 -2.152 19945 7313 1 8 . 1 1 56 56 THR CA C 56 62.383 62.383 62.324 0.059 19945 7314 1 8 . 1 1 56 56 THR CB C 56 69.692 69.692 70.629 -0.937 19945 7315 1 8 . 1 1 56 56 THR H H 56 6.599 6.599 7.601 -1.002 19945 7316 1 8 . 1 1 57 57 TRP N N 57 130.050 130.050 124.813 5.237 19945 7317 1 8 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.561 -1.935 19945 7318 1 8 . 1 1 57 57 TRP C C 57 172.611 172.611 175.286 -2.675 19945 7319 1 8 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.304 -1.029 19945 7320 1 8 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.181 2.573 19945 7321 1 8 . 1 1 57 57 TRP H H 57 8.865 8.865 8.883 -0.018 19945 7322 1 8 . 1 1 58 58 TYR N N 58 112.793 112.793 115.431 -2.638 19945 7323 1 8 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.869 0.347 19945 7324 1 8 . 1 1 58 58 TYR C C 58 173.619 173.619 174.279 -0.660 19945 7325 1 8 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.797 -1.597 19945 7326 1 8 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.116 -0.916 19945 7327 1 8 . 1 1 58 58 TYR H H 58 5.730 5.730 8.274 -2.544 19945 7328 1 8 . 1 1 59 59 TYR N N 59 112.220 112.220 119.563 -7.343 19945 7329 1 8 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.180 -0.785 19945 7330 1 8 . 1 1 59 59 TYR C C 59 175.865 175.865 174.899 0.966 19945 7331 1 8 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.276 2.184 19945 7332 1 8 . 1 1 59 59 TYR CB C 59 33.610 33.610 39.048 -5.438 19945 7333 1 8 . 1 1 59 59 TYR H H 59 7.661 7.661 7.804 -0.143 19945 7334 1 8 . 1 1 60 60 GLY N N 60 104.550 104.550 110.841 -6.291 19945 7335 1 8 . 1 1 60 60 GLY C C 60 174.483 174.483 174.664 -0.181 19945 7336 1 8 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.570 0.608 19945 7337 1 8 . 1 1 60 60 GLY H H 60 8.142 8.142 8.421 -0.280 19945 7338 1 8 . 1 1 61 61 GLU N N 61 120.991 120.991 120.198 0.793 19945 7339 1 8 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.657 -0.219 19945 7340 1 8 . 1 1 61 61 GLU C C 61 175.548 175.548 175.785 -0.237 19945 7341 1 8 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.786 0.690 19945 7342 1 8 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.890 -1.389 19945 7343 1 8 . 1 1 61 61 GLU H H 61 8.307 8.307 8.192 0.115 19945 7344 1 8 . 1 1 62 62 ALA N N 62 122.750 122.750 123.282 -0.532 19945 7345 1 8 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.444 -0.238 19945 7346 1 8 . 1 1 62 62 ALA C C 62 176.671 176.671 177.418 -0.747 19945 7347 1 8 . 1 1 62 62 ALA CA C 62 51.810 51.810 52.014 -0.204 19945 7348 1 8 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.088 1.118 19945 7349 1 8 . 1 1 62 62 ALA H H 62 8.722 8.722 8.617 0.105 19945 7350 1 8 . 1 1 63 63 GLN N N 63 120.579 120.579 118.902 1.677 19945 7351 1 8 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.070 -0.184 19945 7352 1 8 . 1 1 63 63 GLN C C 63 176.757 176.757 177.106 -0.349 19945 7353 1 8 . 1 1 63 63 GLN CA C 63 57.609 57.609 56.210 1.399 19945 7354 1 8 . 1 1 63 63 GLN H H 63 6.302 6.302 8.688 -2.386 19945 7355 1 8 . 1 1 64 64 CYS N N 64 125.487 125.487 124.282 1.205 19945 7356 1 8 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.089 0.022 19945 7357 1 8 . 1 1 64 64 CYS C C 64 174.972 174.972 176.621 -1.649 19945 7358 1 8 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.022 -0.533 19945 7359 1 8 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.819 -0.237 19945 7360 1 8 . 1 1 64 64 CYS H H 64 9.091 9.091 8.675 0.416 19945 7361 1 8 . 1 1 65 65 ASP N N 65 120.298 120.298 120.132 0.166 19945 7362 1 8 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.493 -0.094 19945 7363 1 8 . 1 1 65 65 ASP C C 65 179.000 179.000 178.368 0.632 19945 7364 1 8 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.006 1.126 19945 7365 1 8 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.567 0.656 19945 7366 1 8 . 1 1 65 65 ASP H H 65 7.093 7.093 8.474 -1.381 19945 7367 1 8 . 1 1 66 66 TRP N N 66 122.608 122.608 121.080 1.528 19945 7368 1 8 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.003 0.213 19945 7369 1 8 . 1 1 66 66 TRP C C 66 176.930 176.930 177.575 -0.645 19945 7370 1 8 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.647 0.876 19945 7371 1 8 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.352 0.609 19945 7372 1 8 . 1 1 66 66 TRP H H 66 7.394 7.394 8.454 -1.060 19945 7373 1 8 . 1 1 67 67 ASP N N 67 118.860 118.860 118.040 0.820 19945 7374 1 8 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.756 -0.231 19945 7375 1 8 . 1 1 67 67 ASP C C 67 179.579 179.579 177.932 1.647 19945 7376 1 8 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.142 0.199 19945 7377 1 8 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.774 1.626 19945 7378 1 8 . 1 1 67 67 ASP H H 67 8.087 8.087 8.128 -0.041 19945 7379 1 8 . 1 1 68 68 ASP N N 68 116.220 116.220 118.638 -2.418 19945 7380 1 8 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.446 -0.090 19945 7381 1 8 . 1 1 68 68 ASP C C 68 176.873 176.873 177.342 -0.469 19945 7382 1 8 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.235 0.020 19945 7383 1 8 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.077 -0.270 19945 7384 1 8 . 1 1 68 68 ASP H H 68 8.056 8.056 7.901 0.155 19945 7385 1 8 . 1 1 69 69 PHE N N 69 120.493 120.493 118.136 2.357 19945 7386 1 8 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.326 0.037 19945 7387 1 8 . 1 1 69 69 PHE C C 69 177.103 177.103 176.045 1.058 19945 7388 1 8 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.238 -0.309 19945 7389 1 8 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.750 1.780 19945 7390 1 8 . 1 1 69 69 PHE H H 69 7.659 7.659 7.416 0.243 19945 7391 1 8 . 1 1 70 70 PHE N N 70 122.293 122.293 120.022 2.271 19945 7392 1 8 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.274 0.744 19945 7393 1 8 . 1 1 70 70 PHE C C 70 174.396 174.396 174.689 -0.293 19945 7394 1 8 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.961 -2.838 19945 7395 1 8 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.442 -0.687 19945 7396 1 8 . 1 1 70 70 PHE H H 70 8.197 8.197 8.062 0.135 19945 7397 1 8 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.353 0.045 19945 7398 1 8 . 1 1 71 71 PRO C C 71 179.118 179.118 177.339 1.779 19945 7399 1 8 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.793 0.574 19945 7400 1 8 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.094 -0.164 19945 7401 1 8 . 1 1 72 72 THR N N 72 114.461 114.461 113.925 0.536 19945 7402 1 8 . 1 1 72 72 THR HA H 72 3.816 3.816 3.943 -0.127 19945 7403 1 8 . 1 1 72 72 THR C C 72 176.498 176.498 176.543 -0.045 19945 7404 1 8 . 1 1 72 72 THR CA C 72 65.803 65.803 65.331 0.472 19945 7405 1 8 . 1 1 72 72 THR CB C 72 67.203 67.203 68.157 -0.954 19945 7406 1 8 . 1 1 72 72 THR H H 72 7.534 7.534 7.544 -0.010 19945 7407 1 8 . 1 1 73 73 LEU N N 73 124.812 124.812 123.056 1.756 19945 7408 1 8 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.124 -0.034 19945 7409 1 8 . 1 1 73 73 LEU C C 73 177.996 177.996 178.749 -0.753 19945 7410 1 8 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.207 -0.056 19945 7411 1 8 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.148 1.638 19945 7412 1 8 . 1 1 73 73 LEU H H 73 8.123 8.123 8.148 -0.025 19945 7413 1 8 . 1 1 74 74 GLU N N 74 111.877 111.877 118.209 -6.332 19945 7414 1 8 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.212 -0.387 19945 7415 1 8 . 1 1 74 74 GLU C C 74 176.930 176.930 177.822 -0.892 19945 7416 1 8 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.660 -0.985 19945 7417 1 8 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.425 0.596 19945 7418 1 8 . 1 1 74 74 GLU H H 74 7.933 7.933 8.328 -0.395 19945 7419 1 8 . 1 1 75 75 GLU N N 75 116.571 116.571 117.113 -0.542 19945 7420 1 8 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.297 0.050 19945 7421 1 8 . 1 1 75 75 GLU C C 75 177.045 177.045 176.494 0.551 19945 7422 1 8 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.497 -0.471 19945 7423 1 8 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.763 -0.254 19945 7424 1 8 . 1 1 75 75 GLU H H 75 7.659 7.659 7.790 -0.131 19945 7425 1 8 . 1 1 76 76 ILE N N 76 123.080 123.080 120.145 2.935 19945 7426 1 8 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.828 -0.051 19945 7427 1 8 . 1 1 76 76 ILE C C 76 174.656 174.656 175.202 -0.546 19945 7428 1 8 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.856 0.218 19945 7429 1 8 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.709 0.297 19945 7430 1 8 . 1 1 76 76 ILE H H 76 7.468 7.468 7.291 0.177 19945 7431 1 8 . 1 1 77 77 ASP N N 77 126.540 126.540 124.214 2.326 19945 7432 1 8 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.542 0.271 19945 7433 1 8 . 1 1 77 77 ASP C C 77 176.614 176.614 174.842 1.772 19945 7434 1 8 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.597 -0.456 19945 7435 1 8 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.048 -1.183 19945 7436 1 8 . 1 1 77 77 ASP H H 77 8.605 8.605 8.592 0.013 19945 7437 1 8 . 1 1 78 78 PHE N N 78 124.583 124.583 121.998 2.585 19945 7438 1 8 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.666 -0.506 19945 7439 1 8 . 1 1 78 78 PHE C C 78 175.347 175.347 175.167 0.180 19945 7440 1 8 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.832 2.310 19945 7441 1 8 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.879 0.289 19945 7442 1 8 . 1 1 78 78 PHE H H 78 8.053 8.053 7.783 0.270 19945 7443 1 8 . 1 1 79 79 ASN N N 79 121.321 121.321 119.283 2.038 19945 7444 1 8 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.554 -0.037 19945 7445 1 8 . 1 1 79 79 ASN C C 79 176.815 176.815 176.649 0.166 19945 7446 1 8 . 1 1 79 79 ASN CA C 79 56.452 56.452 54.043 2.409 19945 7447 1 8 . 1 1 79 79 ASN CB C 79 38.739 38.739 37.977 0.762 19945 7448 1 8 . 1 1 79 79 ASN H H 79 8.695 8.695 8.433 0.262 19945 7449 1 8 . 1 1 80 80 GLY N N 80 114.150 114.150 113.199 0.951 19945 7450 1 8 . 1 1 80 80 GLY C C 80 174.195 174.195 174.917 -0.722 19945 7451 1 8 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.550 0.096 19945 7452 1 8 . 1 1 80 80 GLY H H 80 8.646 8.646 8.631 0.015 19945 7453 1 8 . 1 1 81 81 LYS N N 81 119.318 119.318 120.863 -1.545 19945 7454 1 8 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.306 0.731 19945 7455 1 8 . 1 1 81 81 LYS C C 81 176.268 176.268 176.203 0.065 19945 7456 1 8 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.606 -0.610 19945 7457 1 8 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.892 0.063 19945 7458 1 8 . 1 1 81 81 LYS H H 81 8.295 8.295 7.843 0.452 19945 7459 1 8 . 1 1 82 82 LEU N N 82 127.000 127.000 122.592 4.408 19945 7460 1 8 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.112 0.118 19945 7461 1 8 . 1 1 82 82 LEU C C 82 175.347 175.347 176.024 -0.677 19945 7462 1 8 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.141 -0.337 19945 7463 1 8 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.180 0.971 19945 7464 1 8 . 1 1 82 82 LEU H H 82 8.407 8.407 8.804 -0.397 19945 7465 1 8 . 1 1 83 83 VAL N N 83 121.665 121.665 120.698 0.967 19945 7466 1 8 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.413 0.427 19945 7467 1 8 . 1 1 83 83 VAL C C 83 173.417 173.417 174.169 -0.752 19945 7468 1 8 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.146 -0.944 19945 7469 1 8 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.247 0.101 19945 7470 1 8 . 1 1 83 83 VAL H H 83 8.960 8.960 9.110 -0.150 19945 7471 1 8 . 1 1 84 84 ALA N N 84 128.017 128.017 126.415 1.602 19945 7472 1 8 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.412 -0.079 19945 7473 1 8 . 1 1 84 84 ALA C C 84 175.231 175.231 175.428 -0.197 19945 7474 1 8 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.278 0.150 19945 7475 1 8 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.427 0.701 19945 7476 1 8 . 1 1 84 84 ALA H H 84 9.021 9.021 9.055 -0.034 19945 7477 1 8 . 1 1 85 85 LEU N N 85 124.220 124.220 121.397 2.823 19945 7478 1 8 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.643 -0.031 19945 7479 1 8 . 1 1 85 85 LEU C C 85 174.454 174.454 176.017 -1.563 19945 7480 1 8 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.349 -0.376 19945 7481 1 8 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.377 0.535 19945 7482 1 8 . 1 1 85 85 LEU H H 85 11.134 11.134 9.012 2.122 19945 7483 1 8 . 1 1 86 86 PHE N N 86 114.461 114.461 117.272 -2.811 19945 7484 1 8 . 1 1 86 86 PHE HA H 86 5.222 5.222 4.969 0.253 19945 7485 1 8 . 1 1 86 86 PHE C C 86 173.619 173.619 173.444 0.175 19945 7486 1 8 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.488 -0.810 19945 7487 1 8 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.870 1.110 19945 7488 1 8 . 1 1 86 86 PHE H H 86 8.829 8.829 8.941 -0.112 19945 7489 1 8 . 1 1 87 87 GLY N N 87 104.437 104.437 106.079 -1.642 19945 7490 1 8 . 1 1 87 87 GLY C C 87 170.423 170.423 172.399 -1.976 19945 7491 1 8 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.642 0.288 19945 7492 1 8 . 1 1 87 87 GLY H H 87 8.496 8.496 8.768 -0.272 19945 7493 1 8 . 1 1 88 88 CYS N N 88 114.166 114.166 121.162 -6.996 19945 7494 1 8 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.204 0.799 19945 7495 1 8 . 1 1 88 88 CYS C C 88 174.425 174.425 174.928 -0.503 19945 7496 1 8 . 1 1 88 88 CYS CA C 88 56.538 56.538 59.485 -2.947 19945 7497 1 8 . 1 1 88 88 CYS CB C 88 31.301 31.301 29.243 2.058 19945 7498 1 8 . 1 1 88 88 CYS H H 88 5.354 5.354 8.206 -2.852 19945 7499 1 8 . 1 1 89 89 GLY N N 89 109.463 109.463 108.839 0.624 19945 7500 1 8 . 1 1 89 89 GLY C C 89 173.187 173.187 171.336 1.851 19945 7501 1 8 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.882 1.561 19945 7502 1 8 . 1 1 89 89 GLY H H 89 8.404 8.404 7.808 0.596 19945 7503 1 8 . 1 1 90 90 ASP N N 90 123.090 123.090 118.396 4.694 19945 7504 1 8 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.036 0.763 19945 7505 1 8 . 1 1 90 90 ASP C C 90 176.095 176.095 175.851 0.244 19945 7506 1 8 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.505 -0.952 19945 7507 1 8 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.342 -0.087 19945 7508 1 8 . 1 1 90 90 ASP H H 90 8.698 8.698 8.428 0.270 19945 7509 1 8 . 1 1 91 91 GLN N N 91 123.780 123.780 123.721 0.059 19945 7510 1 8 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.460 -0.764 19945 7511 1 8 . 1 1 91 91 GLN C C 91 173.639 173.639 175.485 -1.846 19945 7512 1 8 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.960 1.100 19945 7513 1 8 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.581 -0.140 19945 7514 1 8 . 1 1 91 91 GLN H H 91 9.675 9.675 8.910 0.765 19945 7515 1 8 . 1 1 92 92 GLU N N 92 118.631 118.631 121.363 -2.732 19945 7516 1 8 . 1 1 92 92 GLU HA H 92 4.591 4.591 3.902 0.689 19945 7517 1 8 . 1 1 92 92 GLU C C 92 177.247 177.247 176.758 0.489 19945 7518 1 8 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.112 -0.776 19945 7519 1 8 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.843 0.927 19945 7520 1 8 . 1 1 92 92 GLU H H 92 8.396 8.396 8.420 -0.024 19945 7521 1 8 . 1 1 93 93 ASP N N 93 120.889 120.889 118.683 2.206 19945 7522 1 8 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.563 -0.281 19945 7523 1 8 . 1 1 93 93 ASP C C 93 175.986 175.986 178.011 -2.025 19945 7524 1 8 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.453 -0.028 19945 7525 1 8 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.536 -2.286 19945 7526 1 8 . 1 1 93 93 ASP H H 93 7.779 7.779 8.438 -0.659 19945 7527 1 8 . 1 1 94 94 TYR N N 94 117.028 117.028 121.328 -4.300 19945 7528 1 8 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.768 -0.083 19945 7529 1 8 . 1 1 94 94 TYR C C 94 175.519 175.519 175.976 -0.457 19945 7530 1 8 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.958 -0.579 19945 7531 1 8 . 1 1 94 94 TYR CB C 94 36.842 36.842 36.272 0.570 19945 7532 1 8 . 1 1 94 94 TYR H H 94 6.693 6.693 8.930 -2.237 19945 7533 1 8 . 1 1 95 95 ALA N N 95 121.950 121.950 122.818 -0.868 19945 7534 1 8 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.244 -0.088 19945 7535 1 8 . 1 1 95 95 ALA C C 95 179.723 179.723 178.339 1.384 19945 7536 1 8 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.847 1.076 19945 7537 1 8 . 1 1 95 95 ALA CB C 95 20.555 20.555 19.117 1.438 19945 7538 1 8 . 1 1 95 95 ALA H H 95 6.962 6.962 7.756 -0.794 19945 7539 1 8 . 1 1 96 96 GLU N N 96 115.884 115.884 116.760 -0.876 19945 7540 1 8 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.631 -0.326 19945 7541 1 8 . 1 1 96 96 GLU C C 96 174.684 174.684 175.726 -1.042 19945 7542 1 8 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.207 0.778 19945 7543 1 8 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.812 -0.636 19945 7544 1 8 . 1 1 96 96 GLU H H 96 9.327 9.327 8.763 0.564 19945 7545 1 8 . 1 1 97 97 TYR N N 97 121.836 121.836 117.121 4.715 19945 7546 1 8 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.786 0.623 19945 7547 1 8 . 1 1 97 97 TYR C C 97 179.953 179.953 174.806 5.147 19945 7548 1 8 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.522 -0.080 19945 7549 1 8 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.339 1.953 19945 7550 1 8 . 1 1 97 97 TYR H H 97 8.175 8.175 8.222 -0.047 19945 7551 1 8 . 1 1 98 98 PHE N N 98 124.580 124.580 123.747 0.833 19945 7552 1 8 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.655 0.482 19945 7553 1 8 . 1 1 98 98 PHE C C 98 174.742 174.742 176.097 -1.355 19945 7554 1 8 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.566 0.097 19945 7555 1 8 . 1 1 98 98 PHE CB C 98 38.655 38.655 40.226 -1.571 19945 7556 1 8 . 1 1 98 98 PHE H H 98 7.889 7.889 8.032 -0.143 19945 7557 1 8 . 1 1 99 99 CYS N N 99 120.329 120.329 122.391 -2.062 19945 7558 1 8 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.514 0.138 19945 7559 1 8 . 1 1 99 99 CYS C C 99 175.087 175.087 175.245 -0.158 19945 7560 1 8 . 1 1 99 99 CYS CA C 99 62.876 62.876 58.554 4.322 19945 7561 1 8 . 1 1 99 99 CYS CB C 99 24.000 24.000 24.985 -0.985 19945 7562 1 8 . 1 1 99 99 CYS H H 99 8.617 8.617 8.234 0.383 19945 7563 1 8 . 1 1 100 100 ASP N N 100 116.705 116.705 122.900 -6.195 19945 7564 1 8 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.151 -0.206 19945 7565 1 8 . 1 1 100 100 ASP C C 100 178.888 178.888 177.269 1.619 19945 7566 1 8 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.114 1.014 19945 7567 1 8 . 1 1 100 100 ASP CB C 100 41.950 41.950 40.877 1.073 19945 7568 1 8 . 1 1 100 100 ASP H H 100 7.104 7.104 7.855 -0.751 19945 7569 1 8 . 1 1 101 101 ALA N N 101 118.631 118.631 121.306 -2.675 19945 7570 1 8 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.197 -0.046 19945 7571 1 8 . 1 1 101 101 ALA C C 101 178.600 178.600 179.469 -0.869 19945 7572 1 8 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.454 -0.057 19945 7573 1 8 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.612 0.198 19945 7574 1 8 . 1 1 101 101 ALA H H 101 8.716 8.716 7.557 1.159 19945 7575 1 8 . 1 1 102 102 LEU N N 102 115.083 115.083 117.849 -2.766 19945 7576 1 8 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.935 -0.321 19945 7577 1 8 . 1 1 102 102 LEU C C 102 179.573 179.573 179.220 0.353 19945 7578 1 8 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.196 0.648 19945 7579 1 8 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.328 1.386 19945 7580 1 8 . 1 1 102 102 LEU H H 102 7.171 7.171 7.820 -0.649 19945 7581 1 8 . 1 1 103 103 GLY N N 103 104.501 104.501 105.656 -1.155 19945 7582 1 8 . 1 1 103 103 GLY C C 103 175.145 175.145 175.341 -0.196 19945 7583 1 8 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.169 -0.461 19945 7584 1 8 . 1 1 103 103 GLY H H 103 7.365 7.365 8.164 -0.799 19945 7585 1 8 . 1 1 104 104 THR N N 104 118.860 118.860 118.043 0.817 19945 7586 1 8 . 1 1 104 104 THR HA H 104 3.737 3.737 3.832 -0.095 19945 7587 1 8 . 1 1 104 104 THR C C 104 176.354 176.354 176.170 0.184 19945 7588 1 8 . 1 1 104 104 THR CA C 104 65.799 65.799 66.209 -0.410 19945 7589 1 8 . 1 1 104 104 THR CB C 104 67.961 67.961 68.656 -0.696 19945 7590 1 8 . 1 1 104 104 THR H H 104 7.343 7.343 7.337 0.006 19945 7591 1 8 . 1 1 105 105 ILE N N 105 118.663 118.663 120.826 -2.163 19945 7592 1 8 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.650 -0.146 19945 7593 1 8 . 1 1 105 105 ILE C C 105 177.391 177.391 177.108 0.283 19945 7594 1 8 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.225 1.325 19945 7595 1 8 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.562 0.188 19945 7596 1 8 . 1 1 105 105 ILE H H 105 7.589 7.589 7.225 0.364 19945 7597 1 8 . 1 1 106 106 ARG N N 106 126.041 126.041 120.695 5.346 19945 7598 1 8 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.770 -0.190 19945 7599 1 8 . 1 1 106 106 ARG C C 106 176.614 176.614 178.079 -1.465 19945 7600 1 8 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.162 0.105 19945 7601 1 8 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.955 -2.639 19945 7602 1 8 . 1 1 106 106 ARG H H 106 7.307 7.307 7.887 -0.580 19945 7603 1 8 . 1 1 107 107 ASP N N 107 117.480 117.480 118.474 -0.994 19945 7604 1 8 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.426 -0.078 19945 7605 1 8 . 1 1 107 107 ASP C C 107 177.189 177.189 177.750 -0.561 19945 7606 1 8 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.705 -0.205 19945 7607 1 8 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.670 -0.996 19945 7608 1 8 . 1 1 107 107 ASP H H 107 8.202 8.202 8.027 0.175 19945 7609 1 8 . 1 1 108 108 ILE N N 108 117.715 117.715 117.102 0.613 19945 7610 1 8 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.938 -0.082 19945 7611 1 8 . 1 1 108 108 ILE C C 108 178.427 178.427 177.521 0.906 19945 7612 1 8 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.713 0.264 19945 7613 1 8 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.065 0.386 19945 7614 1 8 . 1 1 108 108 ILE H H 108 7.107 7.107 7.435 -0.328 19945 7615 1 8 . 1 1 109 109 ILE N N 109 111.534 111.534 116.865 -5.331 19945 7616 1 8 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.558 0.177 19945 7617 1 8 . 1 1 109 109 ILE C C 109 177.305 177.305 177.283 0.022 19945 7618 1 8 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.170 0.435 19945 7619 1 8 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.863 -0.452 19945 7620 1 8 . 1 1 109 109 ILE H H 109 7.501 7.501 8.075 -0.574 19945 7621 1 8 . 1 1 110 110 GLU N N 110 127.123 127.123 122.394 4.729 19945 7622 1 8 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.285 0.013 19945 7623 1 8 . 1 1 110 110 GLU C C 110 177.391 177.391 176.818 0.573 19945 7624 1 8 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.197 2.134 19945 7625 1 8 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.613 -0.765 19945 7626 1 8 . 1 1 110 110 GLU H H 110 8.867 8.867 8.441 0.426 19945 7627 1 8 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.374 0.242 19945 7628 1 8 . 1 1 111 111 PRO C C 111 177.417 177.417 177.432 -0.015 19945 7629 1 8 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.531 0.704 19945 7630 1 8 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.290 -0.255 19945 7631 1 8 . 1 1 112 112 ARG N N 112 114.612 114.612 117.836 -3.224 19945 7632 1 8 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.547 0.021 19945 7633 1 8 . 1 1 112 112 ARG C C 112 175.792 175.792 176.480 -0.688 19945 7634 1 8 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.681 0.060 19945 7635 1 8 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.739 0.764 19945 7636 1 8 . 1 1 112 112 ARG H H 112 6.542 6.542 7.397 -0.855 19945 7637 1 8 . 1 1 113 113 GLY N N 113 106.474 106.474 106.466 0.008 19945 7638 1 8 . 1 1 113 113 GLY C C 113 174.347 174.347 174.154 0.193 19945 7639 1 8 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.184 0.456 19945 7640 1 8 . 1 1 113 113 GLY H H 113 7.845 7.845 7.844 0.001 19945 7641 1 8 . 1 1 114 114 ALA N N 114 122.280 122.280 124.088 -1.808 19945 7642 1 8 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.768 -0.489 19945 7643 1 8 . 1 1 114 114 ALA C C 114 176.785 176.785 177.112 -0.327 19945 7644 1 8 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.386 1.006 19945 7645 1 8 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.564 0.048 19945 7646 1 8 . 1 1 114 114 ALA H H 114 7.535 7.535 7.721 -0.186 19945 7647 1 8 . 1 1 115 115 THR N N 115 120.909 120.909 120.831 0.078 19945 7648 1 8 . 1 1 115 115 THR HA H 115 4.478 4.478 4.649 -0.171 19945 7649 1 8 . 1 1 115 115 THR C C 115 172.963 172.963 173.508 -0.545 19945 7650 1 8 . 1 1 115 115 THR CA C 115 62.825 62.825 62.830 -0.005 19945 7651 1 8 . 1 1 115 115 THR CB C 115 69.501 69.501 69.372 0.129 19945 7652 1 8 . 1 1 115 115 THR H H 115 7.902 7.902 8.780 -0.878 19945 7653 1 8 . 1 1 116 116 ILE N N 116 129.162 129.162 128.616 0.546 19945 7654 1 8 . 1 1 116 116 ILE HA H 116 5.297 5.297 4.974 0.323 19945 7655 1 8 . 1 1 116 116 ILE C C 116 177.056 177.056 176.145 0.911 19945 7656 1 8 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.598 -0.075 19945 7657 1 8 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.344 -1.044 19945 7658 1 8 . 1 1 116 116 ILE H H 116 8.784 8.784 8.579 0.205 19945 7659 1 8 . 1 1 117 117 VAL N N 117 122.981 122.981 121.663 1.318 19945 7660 1 8 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.665 -0.071 19945 7661 1 8 . 1 1 117 117 VAL C C 117 175.190 175.190 175.372 -0.182 19945 7662 1 8 . 1 1 117 117 VAL CA C 117 58.929 58.929 60.017 -1.088 19945 7663 1 8 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.343 -1.979 19945 7664 1 8 . 1 1 117 117 VAL H H 117 8.812 8.812 8.801 0.011 19945 7665 1 8 . 1 1 118 118 GLY N N 118 108.558 108.558 106.862 1.696 19945 7666 1 8 . 1 1 118 118 GLY C C 118 175.792 175.792 174.462 1.330 19945 7667 1 8 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.805 1.941 19945 7668 1 8 . 1 1 118 118 GLY H H 118 9.297 9.297 8.724 0.573 19945 7669 1 8 . 1 1 119 119 HIS N N 119 118.402 118.402 119.005 -0.603 19945 7670 1 8 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.923 -0.151 19945 7671 1 8 . 1 1 119 119 HIS C C 119 175.866 175.866 175.493 0.373 19945 7672 1 8 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.993 -2.391 19945 7673 1 8 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.043 -1.187 19945 7674 1 8 . 1 1 119 119 HIS H H 119 8.901 8.901 8.449 0.452 19945 7675 1 8 . 1 1 120 120 TRP N N 120 124.300 124.300 126.125 -1.825 19945 7676 1 8 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.253 1.040 19945 7677 1 8 . 1 1 120 120 TRP C C 120 173.113 173.113 173.691 -0.578 19945 7678 1 8 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.661 -0.157 19945 7679 1 8 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.044 2.242 19945 7680 1 8 . 1 1 120 120 TRP H H 120 8.455 8.455 8.588 -0.133 19945 7681 1 8 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.925 0.672 19945 7682 1 8 . 1 1 121 121 PRO C C 121 176.243 176.243 176.601 -0.358 19945 7683 1 8 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.369 1.081 19945 7684 1 8 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.191 -0.095 19945 7685 1 8 . 1 1 122 122 THR N N 122 110.568 110.568 113.604 -3.036 19945 7686 1 8 . 1 1 122 122 THR HA H 122 4.232 4.232 3.843 0.389 19945 7687 1 8 . 1 1 122 122 THR C C 122 176.424 176.424 175.547 0.877 19945 7688 1 8 . 1 1 122 122 THR CA C 122 62.079 62.079 63.419 -1.340 19945 7689 1 8 . 1 1 122 122 THR CB C 122 68.758 68.758 68.896 -0.138 19945 7690 1 8 . 1 1 122 122 THR H H 122 7.560 7.560 7.964 -0.404 19945 7691 1 8 . 1 1 123 123 ALA N N 123 126.038 126.038 123.217 2.821 19945 7692 1 8 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.843 0.426 19945 7693 1 8 . 1 1 123 123 ALA C C 123 178.862 178.862 177.567 1.295 19945 7694 1 8 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.460 1.422 19945 7695 1 8 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.092 1.192 19945 7696 1 8 . 1 1 123 123 ALA H H 123 7.144 7.144 7.828 -0.684 19945 7697 1 8 . 1 1 124 124 GLY N N 124 111.468 111.468 105.594 5.874 19945 7698 1 8 . 1 1 124 124 GLY C C 124 173.775 173.775 174.254 -0.479 19945 7699 1 8 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.803 0.578 19945 7700 1 8 . 1 1 124 124 GLY H H 124 9.058 9.058 7.705 1.353 19945 7701 1 8 . 1 1 125 125 TYR N N 125 119.088 119.088 122.466 -3.378 19945 7702 1 8 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.257 0.685 19945 7703 1 8 . 1 1 125 125 TYR C C 125 175.581 175.581 175.940 -0.359 19945 7704 1 8 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.658 -2.896 19945 7705 1 8 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.999 1.551 19945 7706 1 8 . 1 1 125 125 TYR H H 125 8.008 8.008 8.357 -0.349 19945 7707 1 8 . 1 1 126 126 HIS N N 126 121.799 121.799 126.042 -4.243 19945 7708 1 8 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.361 0.652 19945 7709 1 8 . 1 1 126 126 HIS C C 126 171.969 171.969 173.806 -1.837 19945 7710 1 8 . 1 1 126 126 HIS CA C 126 54.147 54.147 55.975 -1.828 19945 7711 1 8 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.447 -2.060 19945 7712 1 8 . 1 1 126 126 HIS H H 126 9.512 9.512 8.672 0.840 19945 7713 1 8 . 1 1 127 127 PHE N N 127 117.258 117.258 116.964 0.294 19945 7714 1 8 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.361 0.562 19945 7715 1 8 . 1 1 127 127 PHE C C 127 172.722 172.722 176.627 -3.905 19945 7716 1 8 . 1 1 127 127 PHE CA C 127 55.300 55.300 57.032 -1.732 19945 7717 1 8 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.345 -0.591 19945 7718 1 8 . 1 1 127 127 PHE H H 127 7.397 7.397 7.160 0.237 19945 7719 1 8 . 1 1 128 128 GLU N N 128 120.484 120.484 119.783 0.701 19945 7720 1 8 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.167 0.196 19945 7721 1 8 . 1 1 128 128 GLU C C 128 176.033 176.033 176.387 -0.354 19945 7722 1 8 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.518 -1.450 19945 7723 1 8 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.176 1.656 19945 7724 1 8 . 1 1 128 128 GLU H H 128 8.492 8.492 8.735 -0.243 19945 7725 1 8 . 1 1 129 129 ALA N N 129 123.500 123.500 120.413 3.087 19945 7726 1 8 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.728 -0.030 19945 7727 1 8 . 1 1 129 129 ALA C C 129 174.016 174.016 175.171 -1.155 19945 7728 1 8 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.050 0.404 19945 7729 1 8 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.424 0.579 19945 7730 1 8 . 1 1 129 129 ALA H H 129 9.155 9.155 8.489 0.666 19945 7731 1 8 . 1 1 130 130 SER N N 130 110.807 110.807 117.123 -6.316 19945 7732 1 8 . 1 1 130 130 SER HA H 130 4.942 4.942 4.746 0.196 19945 7733 1 8 . 1 1 130 130 SER C C 130 176.665 176.665 173.875 2.790 19945 7734 1 8 . 1 1 130 130 SER CA C 130 57.471 57.471 57.785 -0.314 19945 7735 1 8 . 1 1 130 130 SER CB C 130 67.205 67.205 64.383 2.822 19945 7736 1 8 . 1 1 130 130 SER H H 130 8.101 8.101 8.464 -0.363 19945 7737 1 8 . 1 1 131 131 LYS N N 131 129.963 129.963 121.520 8.443 19945 7738 1 8 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.574 -0.125 19945 7739 1 8 . 1 1 131 131 LYS C C 131 176.533 176.533 177.289 -0.756 19945 7740 1 8 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.384 0.516 19945 7741 1 8 . 1 1 131 131 LYS CB C 131 32.629 32.629 34.298 -1.669 19945 7742 1 8 . 1 1 131 131 LYS H H 131 9.690 9.690 9.001 0.689 19945 7743 1 8 . 1 1 132 132 GLY N N 132 107.870 107.870 108.229 -0.359 19945 7744 1 8 . 1 1 132 132 GLY C C 132 173.354 173.354 173.585 -0.231 19945 7745 1 8 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.951 0.695 19945 7746 1 8 . 1 1 132 132 GLY H H 132 9.187 9.187 7.590 1.597 19945 7747 1 8 . 1 1 133 133 LEU N N 133 119.088 119.088 119.784 -0.696 19945 7748 1 8 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.252 0.391 19945 7749 1 8 . 1 1 133 133 LEU C C 133 177.748 177.748 176.464 1.284 19945 7750 1 8 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.804 -0.328 19945 7751 1 8 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.121 -1.617 19945 7752 1 8 . 1 1 133 133 LEU H H 133 7.098 7.098 7.718 -0.620 19945 7753 1 8 . 1 1 134 134 ALA N N 134 125.720 125.720 124.679 1.041 19945 7754 1 8 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.531 -0.294 19945 7755 1 8 . 1 1 134 134 ALA C C 134 176.695 176.695 176.895 -0.200 19945 7756 1 8 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.467 -0.179 19945 7757 1 8 . 1 1 134 134 ALA CB C 134 19.612 19.612 21.068 -1.456 19945 7758 1 8 . 1 1 134 134 ALA H H 134 9.154 9.154 9.026 0.128 19945 7759 1 8 . 1 1 135 135 ASP N N 135 114.952 114.952 116.822 -1.870 19945 7760 1 8 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.814 -0.285 19945 7761 1 8 . 1 1 135 135 ASP C C 135 175.130 175.130 175.552 -0.422 19945 7762 1 8 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.264 -0.304 19945 7763 1 8 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.827 -3.299 19945 7764 1 8 . 1 1 135 135 ASP H H 135 8.299 8.299 7.877 0.422 19945 7765 1 8 . 1 1 136 136 ASP N N 136 114.870 114.870 121.460 -6.590 19945 7766 1 8 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.311 0.024 19945 7767 1 8 . 1 1 136 136 ASP C C 136 176.303 176.303 176.829 -0.526 19945 7768 1 8 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.949 0.895 19945 7769 1 8 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.938 -0.074 19945 7770 1 8 . 1 1 136 136 ASP H H 136 8.433 8.433 8.783 -0.350 19945 7771 1 8 . 1 1 137 137 ASP N N 137 113.709 113.709 118.086 -4.377 19945 7772 1 8 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.639 0.192 19945 7773 1 8 . 1 1 137 137 ASP C C 137 176.514 176.514 175.220 1.294 19945 7774 1 8 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.123 -0.806 19945 7775 1 8 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.222 0.236 19945 7776 1 8 . 1 1 137 137 ASP H H 137 8.232 8.232 8.308 -0.076 19945 7777 1 8 . 1 1 138 138 HIS N N 138 117.829 117.829 117.151 0.678 19945 7778 1 8 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.926 0.356 19945 7779 1 8 . 1 1 138 138 HIS C C 138 175.130 175.130 173.863 1.267 19945 7780 1 8 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.542 1.057 19945 7781 1 8 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.803 -0.803 19945 7782 1 8 . 1 1 138 138 HIS H H 138 7.764 7.764 7.690 0.074 19945 7783 1 8 . 1 1 139 139 PHE N N 139 123.553 123.553 121.936 1.617 19945 7784 1 8 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.760 0.259 19945 7785 1 8 . 1 1 139 139 PHE C C 139 177.477 177.477 177.093 0.384 19945 7786 1 8 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.627 -0.068 19945 7787 1 8 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.678 3.194 19945 7788 1 8 . 1 1 139 139 PHE H H 139 9.955 9.955 9.468 0.487 19945 7789 1 8 . 1 1 140 140 VAL N N 140 119.420 119.420 119.563 -0.143 19945 7790 1 8 . 1 1 140 140 VAL HA H 140 3.678 3.678 3.960 -0.282 19945 7791 1 8 . 1 1 140 140 VAL C C 140 173.023 173.023 175.537 -2.514 19945 7792 1 8 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.165 -2.048 19945 7793 1 8 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.235 0.301 19945 7794 1 8 . 1 1 140 140 VAL H H 140 9.178 9.178 8.685 0.493 19945 7795 1 8 . 1 1 141 141 GLY N N 141 105.680 105.680 103.618 2.062 19945 7796 1 8 . 1 1 141 141 GLY C C 141 171.284 171.284 172.645 -1.361 19945 7797 1 8 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.299 0.422 19945 7798 1 8 . 1 1 141 141 GLY H H 141 6.837 6.837 7.506 -0.669 19945 7799 1 8 . 1 1 142 142 LEU N N 142 118.516 118.516 122.235 -3.719 19945 7800 1 8 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.987 -0.940 19945 7801 1 8 . 1 1 142 142 LEU C C 142 173.725 173.725 174.888 -1.163 19945 7802 1 8 . 1 1 142 142 LEU CA C 142 55.704 55.704 53.939 1.765 19945 7803 1 8 . 1 1 142 142 LEU CB C 142 38.739 38.739 39.972 -1.233 19945 7804 1 8 . 1 1 142 142 LEU H H 142 7.423 7.423 8.094 -0.671 19945 7805 1 8 . 1 1 143 143 ALA N N 143 128.382 128.382 130.495 -2.113 19945 7806 1 8 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.512 -0.038 19945 7807 1 8 . 1 1 143 143 ALA C C 143 175.685 175.685 176.582 -0.897 19945 7808 1 8 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.820 -1.189 19945 7809 1 8 . 1 1 143 143 ALA CB C 143 19.847 19.847 18.476 1.371 19945 7810 1 8 . 1 1 143 143 ALA H H 143 5.414 5.414 7.960 -2.546 19945 7811 1 8 . 1 1 144 144 ILE N N 144 126.754 126.754 126.924 -0.170 19945 7812 1 8 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.338 -0.023 19945 7813 1 8 . 1 1 144 144 ILE C C 144 173.725 173.725 173.655 0.070 19945 7814 1 8 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.483 -3.762 19945 7815 1 8 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.486 -0.856 19945 7816 1 8 . 1 1 144 144 ILE H H 144 8.849 8.849 8.321 0.528 19945 7817 1 8 . 1 1 145 145 ASP N N 145 125.518 125.518 126.828 -1.310 19945 7818 1 8 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.958 0.838 19945 7819 1 8 . 1 1 145 145 ASP C C 145 176.830 176.830 174.486 2.344 19945 7820 1 8 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.556 -1.003 19945 7821 1 8 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.516 -0.014 19945 7822 1 8 . 1 1 145 145 ASP H H 145 8.088 8.088 7.939 0.148 19945 7823 1 8 . 1 1 146 146 GLU N N 146 125.475 125.475 119.254 6.221 19945 7824 1 8 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.411 0.252 19945 7825 1 8 . 1 1 146 146 GLU C C 146 177.132 177.132 175.055 2.077 19945 7826 1 8 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.209 0.063 19945 7827 1 8 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.852 0.399 19945 7828 1 8 . 1 1 146 146 GLU H H 146 8.390 8.390 8.501 -0.111 19945 7829 1 8 . 1 1 147 147 ASP N N 147 120.137 120.137 120.506 -0.369 19945 7830 1 8 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.653 -0.086 19945 7831 1 8 . 1 1 147 147 ASP C C 147 178.126 178.126 176.335 1.791 19945 7832 1 8 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.398 3.603 19945 7833 1 8 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.442 0.808 19945 7834 1 8 . 1 1 147 147 ASP H H 147 8.599 8.599 7.909 0.690 19945 7835 1 8 . 1 1 148 148 ARG N N 148 115.655 115.655 123.963 -8.308 19945 7836 1 8 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.059 0.639 19945 7837 1 8 . 1 1 148 148 ARG C C 148 177.704 177.704 174.930 2.774 19945 7838 1 8 . 1 1 148 148 ARG CA C 148 52.960 52.960 58.484 -5.524 19945 7839 1 8 . 1 1 148 148 ARG CB C 148 30.814 30.814 29.314 1.500 19945 7840 1 8 . 1 1 148 148 ARG H H 148 9.762 9.762 8.732 1.030 19945 7841 1 8 . 1 1 149 149 GLN N N 149 116.313 116.313 116.770 -0.457 19945 7842 1 8 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.821 0.478 19945 7843 1 8 . 1 1 149 149 GLN C C 149 175.142 175.142 173.461 1.681 19945 7844 1 8 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.787 0.614 19945 7845 1 8 . 1 1 149 149 GLN CB C 149 30.841 30.841 31.736 -0.895 19945 7846 1 8 . 1 1 149 149 GLN H H 149 7.622 7.622 8.034 -0.412 19945 7847 1 8 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.439 0.242 19945 7848 1 8 . 1 1 150 150 PRO C C 150 179.483 179.483 175.897 3.586 19945 7849 1 8 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.096 2.230 19945 7850 1 8 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.217 -1.565 19945 7851 1 8 . 1 1 151 151 GLU N N 151 122.981 122.981 120.292 2.689 19945 7852 1 8 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.484 -0.083 19945 7853 1 8 . 1 1 151 151 GLU C C 151 177.041 177.041 177.199 -0.158 19945 7854 1 8 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.322 2.076 19945 7855 1 8 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.764 -4.182 19945 7856 1 8 . 1 1 151 151 GLU H H 151 10.520 10.520 9.401 1.119 19945 7857 1 8 . 1 1 152 152 LEU N N 152 120.119 120.119 122.323 -2.204 19945 7858 1 8 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.549 0.142 19945 7859 1 8 . 1 1 152 152 LEU C C 152 177.222 177.222 177.557 -0.335 19945 7860 1 8 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.755 -0.446 19945 7861 1 8 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.365 0.570 19945 7862 1 8 . 1 1 152 152 LEU H H 152 7.589 7.589 8.821 -1.232 19945 7863 1 8 . 1 1 153 153 THR N N 153 119.637 119.637 116.393 3.244 19945 7864 1 8 . 1 1 153 153 THR HA H 153 3.592 3.592 3.801 -0.209 19945 7865 1 8 . 1 1 153 153 THR C C 153 174.178 174.178 176.179 -2.001 19945 7866 1 8 . 1 1 153 153 THR CA C 153 67.960 67.960 67.885 0.075 19945 7867 1 8 . 1 1 153 153 THR CB C 153 69.023 69.023 68.131 0.892 19945 7868 1 8 . 1 1 153 153 THR H H 153 7.469 7.469 8.200 -0.731 19945 7869 1 8 . 1 1 154 154 ALA N N 154 123.665 123.665 121.433 2.232 19945 7870 1 8 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.099 -0.211 19945 7871 1 8 . 1 1 154 154 ALA C C 154 180.417 180.417 179.372 1.045 19945 7872 1 8 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.736 1.802 19945 7873 1 8 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.201 -0.979 19945 7874 1 8 . 1 1 154 154 ALA H H 154 9.077 9.077 8.621 0.456 19945 7875 1 8 . 1 1 155 155 GLU N N 155 119.661 119.661 119.530 0.131 19945 7876 1 8 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.088 0.164 19945 7877 1 8 . 1 1 155 155 GLU C C 155 178.518 178.518 179.452 -0.934 19945 7878 1 8 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.255 -0.437 19945 7879 1 8 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.339 0.368 19945 7880 1 8 . 1 1 155 155 GLU H H 155 8.647 8.647 7.873 0.774 19945 7881 1 8 . 1 1 156 156 ARG N N 156 120.739 120.739 120.152 0.587 19945 7882 1 8 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.194 0.024 19945 7883 1 8 . 1 1 156 156 ARG C C 156 177.252 177.252 178.893 -1.641 19945 7884 1 8 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.095 1.374 19945 7885 1 8 . 1 1 156 156 ARG CB C 156 31.023 31.023 29.851 1.172 19945 7886 1 8 . 1 1 156 156 ARG H H 156 8.129 8.129 8.252 -0.123 19945 7887 1 8 . 1 1 157 157 VAL N N 157 117.372 117.372 119.845 -2.473 19945 7888 1 8 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.611 -0.292 19945 7889 1 8 . 1 1 157 157 VAL C C 157 177.192 177.192 178.135 -0.943 19945 7890 1 8 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.398 1.002 19945 7891 1 8 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.837 0.995 19945 7892 1 8 . 1 1 157 157 VAL H H 157 8.578 8.578 8.224 0.354 19945 7893 1 8 . 1 1 158 158 GLU N N 158 118.631 118.631 120.393 -1.762 19945 7894 1 8 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.240 -0.043 19945 7895 1 8 . 1 1 158 158 GLU C C 158 179.995 179.995 179.679 0.316 19945 7896 1 8 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.926 -0.188 19945 7897 1 8 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.187 -0.010 19945 7898 1 8 . 1 1 158 158 GLU H H 158 8.046 8.046 8.386 -0.340 19945 7899 1 8 . 1 1 159 159 LYS N N 159 118.860 118.860 119.471 -0.611 19945 7900 1 8 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.183 0.003 19945 7901 1 8 . 1 1 159 159 LYS C C 159 179.844 179.844 179.048 0.796 19945 7902 1 8 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.843 0.152 19945 7903 1 8 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.678 1.014 19945 7904 1 8 . 1 1 159 159 LYS H H 159 8.522 8.522 8.066 0.456 19945 7905 1 8 . 1 1 160 160 TRP N N 160 125.100 125.100 122.250 2.850 19945 7906 1 8 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.379 -0.009 19945 7907 1 8 . 1 1 160 160 TRP C C 160 178.006 178.006 177.769 0.237 19945 7908 1 8 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.863 0.951 19945 7909 1 8 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.039 -0.247 19945 7910 1 8 . 1 1 160 160 TRP H H 160 9.076 9.076 8.377 0.699 19945 7911 1 8 . 1 1 161 161 VAL N N 161 118.402 118.402 119.385 -0.983 19945 7912 1 8 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.163 0.207 19945 7913 1 8 . 1 1 161 161 VAL C C 161 179.392 179.392 178.106 1.286 19945 7914 1 8 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.999 0.005 19945 7915 1 8 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.277 -0.927 19945 7916 1 8 . 1 1 161 161 VAL H H 161 9.024 9.024 8.661 0.363 19945 7917 1 8 . 1 1 162 162 LYS N N 162 123.209 123.209 119.820 3.389 19945 7918 1 8 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.893 0.109 19945 7919 1 8 . 1 1 162 162 LYS C C 162 178.759 178.759 179.182 -0.423 19945 7920 1 8 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.025 0.347 19945 7921 1 8 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.138 0.226 19945 7922 1 8 . 1 1 162 162 LYS H H 162 7.820 7.820 7.757 0.063 19945 7923 1 8 . 1 1 163 163 GLN N N 163 121.722 121.722 118.167 3.555 19945 7924 1 8 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.088 0.102 19945 7925 1 8 . 1 1 163 163 GLN C C 163 179.935 179.935 178.702 1.233 19945 7926 1 8 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.440 1.286 19945 7927 1 8 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.830 0.192 19945 7928 1 8 . 1 1 163 163 GLN H H 163 8.126 8.126 7.991 0.135 19945 7929 1 8 . 1 1 164 164 ILE N N 164 114.390 114.390 115.863 -1.473 19945 7930 1 8 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.756 0.234 19945 7931 1 8 . 1 1 164 164 ILE C C 164 178.156 178.156 177.787 0.369 19945 7932 1 8 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.057 1.119 19945 7933 1 8 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.051 0.627 19945 7934 1 8 . 1 1 164 164 ILE H H 164 9.110 9.110 8.203 0.907 19945 7935 1 8 . 1 1 165 165 SER N N 165 119.660 119.660 116.593 3.067 19945 7936 1 8 . 1 1 165 165 SER HA H 165 3.976 3.976 4.025 -0.049 19945 7937 1 8 . 1 1 165 165 SER C C 165 176.438 176.438 176.217 0.221 19945 7938 1 8 . 1 1 165 165 SER CA C 165 63.180 63.180 62.754 0.426 19945 7939 1 8 . 1 1 165 165 SER CB C 165 62.383 62.383 62.647 -0.264 19945 7940 1 8 . 1 1 165 165 SER H H 165 8.278 8.278 8.378 -0.100 19945 7941 1 8 . 1 1 166 166 GLU N N 166 122.290 122.290 118.362 3.928 19945 7942 1 8 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.182 0.028 19945 7943 1 8 . 1 1 166 166 GLU C C 166 179.965 179.965 176.763 3.202 19945 7944 1 8 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.938 1.257 19945 7945 1 8 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.492 -0.248 19945 7946 1 8 . 1 1 166 166 GLU H H 166 7.345 7.345 7.758 -0.413 19945 7947 1 8 . 1 1 167 167 GLU N N 167 120.787 120.787 118.369 2.418 19945 7948 1 8 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.024 -0.085 19945 7949 1 8 . 1 1 167 167 GLU C C 167 178.518 178.518 177.813 0.705 19945 7950 1 8 . 1 1 167 167 GLU CA C 167 60.000 60.000 57.698 2.302 19945 7951 1 8 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.988 0.812 19945 7952 1 8 . 1 1 167 167 GLU H H 167 8.413 8.413 7.361 1.052 19945 7953 1 8 . 1 1 168 168 LEU N N 168 115.420 115.420 117.058 -1.638 19945 7954 1 8 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.209 -0.072 19945 7955 1 8 . 1 1 168 168 LEU C C 168 175.896 175.896 176.335 -0.439 19945 7956 1 8 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.794 -0.014 19945 7957 1 8 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.281 1.020 19945 7958 1 8 . 1 1 168 168 LEU H H 168 8.553 8.553 8.070 0.483 19945 7959 1 8 . 1 1 169 169 HIS N N 169 113.347 113.347 112.098 1.249 19945 7960 1 8 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.297 0.054 19945 7961 1 8 . 1 1 169 169 HIS C C 169 175.835 175.835 175.757 0.078 19945 7962 1 8 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.071 -0.798 19945 7963 1 8 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.518 -0.796 19945 7964 1 8 . 1 1 169 169 HIS H H 169 7.550 7.550 7.756 -0.206 19945 7965 1 8 . 1 1 170 170 LEU N N 170 117.250 117.250 117.540 -0.290 19945 7966 1 8 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.158 -0.155 19945 7967 1 8 . 1 1 170 170 LEU C C 170 178.096 178.096 177.674 0.422 19945 7968 1 8 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.330 1.638 19945 7969 1 8 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.599 0.259 19945 7970 1 8 . 1 1 170 170 LEU H H 170 8.069 8.069 7.840 0.229 19945 7971 1 8 . 1 1 171 171 ASP N N 171 117.300 117.300 120.574 -3.274 19945 7972 1 8 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.280 0.055 19945 7973 1 8 . 1 1 171 171 ASP C C 171 177.915 177.915 177.894 0.021 19945 7974 1 8 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.342 -1.652 19945 7975 1 8 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.780 -0.720 19945 7976 1 8 . 1 1 171 171 ASP H H 171 8.732 8.732 8.378 0.354 19945 7977 1 8 . 1 1 172 172 GLU N N 172 119.203 119.203 116.910 2.293 19945 7978 1 8 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.162 0.065 19945 7979 1 8 . 1 1 172 172 GLU C C 172 178.277 178.277 177.735 0.542 19945 7980 1 8 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.095 0.037 19945 7981 1 8 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.602 0.398 19945 7982 1 8 . 1 1 172 172 GLU H H 172 7.804 7.804 8.349 -0.545 19945 7983 1 8 . 1 1 173 173 ILE N N 173 119.519 119.519 118.743 0.776 19945 7984 1 8 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.044 0.009 19945 7985 1 8 . 1 1 173 173 ILE C C 173 178.006 178.006 177.992 0.014 19945 7986 1 8 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.612 -0.012 19945 7987 1 8 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.045 -0.045 19945 7988 1 8 . 1 1 173 173 ILE H H 173 7.787 7.787 7.679 0.108 19945 7989 1 8 . 1 1 174 174 LEU N N 174 121.260 121.260 118.123 3.137 19945 7990 1 8 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.270 0.016 19945 7991 1 8 . 1 1 174 174 LEU C C 174 177.704 177.704 177.454 0.250 19945 7992 1 8 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.269 -0.996 19945 7993 1 8 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.469 -0.010 19945 7994 1 8 . 1 1 174 174 LEU H H 174 8.241 8.241 8.329 -0.088 19945 7995 1 8 . 1 1 175 175 ASN N N 175 118.280 118.280 118.146 0.134 19945 7996 1 8 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.849 -0.020 19945 7997 1 8 . 1 1 175 175 ASN C C 175 173.846 173.846 174.575 -0.729 19945 7998 1 8 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.932 1.290 19945 7999 1 8 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.216 0.055 19945 8000 1 8 . 1 1 175 175 ASN H H 175 7.883 7.883 8.046 -0.163 19945 8001 1 9 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.806 -0.554 19945 8002 1 9 . 1 1 2 2 ALA C C 2 174.479 174.479 178.079 -3.600 19945 8003 1 9 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.588 1.880 19945 8004 1 9 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.525 -1.358 19945 8005 1 9 . 1 1 3 3 ILE N N 3 116.571 116.571 113.788 2.783 19945 8006 1 9 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.340 0.205 19945 8007 1 9 . 1 1 3 3 ILE C C 3 175.806 175.806 175.865 -0.059 19945 8008 1 9 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.349 0.846 19945 8009 1 9 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.600 0.810 19945 8010 1 9 . 1 1 3 3 ILE H H 3 8.456 8.456 8.133 0.323 19945 8011 1 9 . 1 1 4 4 THR N N 4 115.734 115.734 117.627 -1.893 19945 8012 1 9 . 1 1 4 4 THR HA H 4 5.124 5.124 5.147 -0.023 19945 8013 1 9 . 1 1 4 4 THR C C 4 172.410 172.410 173.463 -1.053 19945 8014 1 9 . 1 1 4 4 THR CA C 4 61.724 61.724 61.169 0.555 19945 8015 1 9 . 1 1 4 4 THR CB C 4 70.059 70.059 70.771 -0.712 19945 8016 1 9 . 1 1 4 4 THR H H 4 8.244 8.244 8.025 0.219 19945 8017 1 9 . 1 1 5 5 GLY N N 5 116.016 116.016 112.346 3.670 19945 8018 1 9 . 1 1 5 5 GLY C C 5 171.077 171.077 172.240 -1.163 19945 8019 1 9 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.060 0.449 19945 8020 1 9 . 1 1 5 5 GLY H H 5 8.554 8.554 8.849 -0.295 19945 8021 1 9 . 1 1 6 6 ILE N N 6 126.504 126.504 126.715 -0.211 19945 8022 1 9 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.874 0.577 19945 8023 1 9 . 1 1 6 6 ILE C C 6 175.245 175.245 174.625 0.620 19945 8024 1 9 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.689 -0.771 19945 8025 1 9 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.326 -0.118 19945 8026 1 9 . 1 1 6 6 ILE H H 6 8.719 8.719 8.867 -0.148 19945 8027 1 9 . 1 1 7 7 PHE N N 7 127.559 127.559 127.378 0.181 19945 8028 1 9 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.379 0.234 19945 8029 1 9 . 1 1 7 7 PHE C C 7 174.634 174.634 175.137 -0.503 19945 8030 1 9 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.464 -0.801 19945 8031 1 9 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.324 1.364 19945 8032 1 9 . 1 1 7 7 PHE H H 7 9.609 9.609 9.480 0.129 19945 8033 1 9 . 1 1 8 8 PHE N N 8 120.006 120.006 121.600 -1.594 19945 8034 1 9 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.297 0.927 19945 8035 1 9 . 1 1 8 8 PHE C C 8 171.212 171.212 174.250 -3.038 19945 8036 1 9 . 1 1 8 8 PHE CA C 8 54.679 54.679 54.825 -0.146 19945 8037 1 9 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.664 1.857 19945 8038 1 9 . 1 1 8 8 PHE H H 8 8.545 8.545 8.887 -0.342 19945 8039 1 9 . 1 1 9 9 GLY N N 9 109.650 109.650 110.530 -0.880 19945 8040 1 9 . 1 1 9 9 GLY C C 9 172.512 172.512 172.558 -0.046 19945 8041 1 9 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.629 0.689 19945 8042 1 9 . 1 1 9 9 GLY H H 9 7.701 7.701 7.928 -0.227 19945 8043 1 9 . 1 1 10 10 SER N N 10 115.953 115.953 116.145 -0.192 19945 8044 1 9 . 1 1 10 10 SER HA H 10 5.001 5.001 4.744 0.257 19945 8045 1 9 . 1 1 10 10 SER C C 10 173.439 173.439 173.250 0.189 19945 8046 1 9 . 1 1 10 10 SER CA C 10 58.308 58.308 58.045 0.263 19945 8047 1 9 . 1 1 10 10 SER CB C 10 66.423 66.423 66.785 -0.362 19945 8048 1 9 . 1 1 10 10 SER H H 10 8.634 8.634 8.047 0.587 19945 8049 1 9 . 1 1 11 11 ASP N N 11 104.000 104.000 120.858 -16.858 19945 8050 1 9 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.618 0.356 19945 8051 1 9 . 1 1 11 11 ASP C C 11 179.108 179.108 176.932 2.176 19945 8052 1 9 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.756 -0.207 19945 8053 1 9 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.388 -1.288 19945 8054 1 9 . 1 1 11 11 ASP H H 11 11.201 11.201 8.806 2.395 19945 8055 1 9 . 1 1 12 12 THR N N 12 112.000 112.000 113.699 -1.699 19945 8056 1 9 . 1 1 12 12 THR HA H 12 4.804 4.804 4.337 0.467 19945 8057 1 9 . 1 1 12 12 THR C C 12 175.080 175.080 176.074 -0.994 19945 8058 1 9 . 1 1 12 12 THR CA C 12 60.237 60.237 63.141 -2.904 19945 8059 1 9 . 1 1 12 12 THR CB C 12 68.567 68.567 68.977 -0.410 19945 8060 1 9 . 1 1 12 12 THR H H 12 9.311 9.311 8.236 1.075 19945 8061 1 9 . 1 1 13 13 GLY N N 13 112.221 112.221 110.577 1.644 19945 8062 1 9 . 1 1 13 13 GLY C C 13 176.690 176.690 174.964 1.726 19945 8063 1 9 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.891 1.409 19945 8064 1 9 . 1 1 13 13 GLY H H 13 8.000 8.000 8.411 -0.411 19945 8065 1 9 . 1 1 14 14 ASN N N 14 128.520 128.520 119.006 9.514 19945 8066 1 9 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.493 0.133 19945 8067 1 9 . 1 1 14 14 ASN C C 14 178.888 178.888 176.966 1.922 19945 8068 1 9 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.435 1.629 19945 8069 1 9 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.733 -1.899 19945 8070 1 9 . 1 1 14 14 ASN H H 14 11.112 11.112 8.574 2.538 19945 8071 1 9 . 1 1 15 15 THR N N 15 122.550 122.550 116.656 5.894 19945 8072 1 9 . 1 1 15 15 THR HA H 15 4.369 4.369 4.047 0.322 19945 8073 1 9 . 1 1 15 15 THR C C 15 176.786 176.786 175.440 1.346 19945 8074 1 9 . 1 1 15 15 THR CA C 15 67.325 67.325 65.413 1.912 19945 8075 1 9 . 1 1 15 15 THR CB C 15 67.961 67.961 68.521 -0.560 19945 8076 1 9 . 1 1 15 15 THR H H 15 11.327 11.327 7.801 3.526 19945 8077 1 9 . 1 1 16 16 GLU N N 16 120.578 120.578 122.173 -1.595 19945 8078 1 9 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.651 -0.364 19945 8079 1 9 . 1 1 16 16 GLU C C 16 176.642 176.642 177.869 -1.227 19945 8080 1 9 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.476 -0.407 19945 8081 1 9 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.188 -0.811 19945 8082 1 9 . 1 1 16 16 GLU H H 16 6.590 6.590 7.985 -1.395 19945 8083 1 9 . 1 1 17 17 ASN N N 17 118.000 118.000 117.928 0.072 19945 8084 1 9 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.442 -0.132 19945 8085 1 9 . 1 1 17 17 ASN C C 17 178.255 178.255 177.737 0.518 19945 8086 1 9 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.800 0.501 19945 8087 1 9 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.961 -0.323 19945 8088 1 9 . 1 1 17 17 ASN H H 17 7.705 7.705 7.625 0.080 19945 8089 1 9 . 1 1 18 18 ILE N N 18 119.430 119.430 120.095 -0.665 19945 8090 1 9 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.663 -0.011 19945 8091 1 9 . 1 1 18 18 ILE C C 18 177.564 177.564 177.728 -0.164 19945 8092 1 9 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.267 -0.767 19945 8093 1 9 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.566 -2.015 19945 8094 1 9 . 1 1 18 18 ILE H H 18 8.141 8.141 7.255 0.886 19945 8095 1 9 . 1 1 19 19 ALA N N 19 123.208 123.208 122.361 0.847 19945 8096 1 9 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.840 -0.171 19945 8097 1 9 . 1 1 19 19 ALA C C 19 178.888 178.888 179.590 -0.702 19945 8098 1 9 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.460 0.195 19945 8099 1 9 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.029 0.786 19945 8100 1 9 . 1 1 19 19 ALA H H 19 8.304 8.304 8.495 -0.192 19945 8101 1 9 . 1 1 20 20 LYS N N 20 116.460 116.460 118.920 -2.460 19945 8102 1 9 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.978 -0.162 19945 8103 1 9 . 1 1 20 20 LYS C C 20 179.666 179.666 178.941 0.725 19945 8104 1 9 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.581 0.241 19945 8105 1 9 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.376 -0.278 19945 8106 1 9 . 1 1 20 20 LYS H H 20 7.722 7.722 8.112 -0.390 19945 8107 1 9 . 1 1 21 21 MET N N 21 123.880 123.880 118.355 5.525 19945 8108 1 9 . 1 1 21 21 MET HA H 21 3.946 3.946 4.102 -0.156 19945 8109 1 9 . 1 1 21 21 MET C C 21 179.435 179.435 178.913 0.522 19945 8110 1 9 . 1 1 21 21 MET CA C 21 59.662 59.662 58.772 0.890 19945 8111 1 9 . 1 1 21 21 MET CB C 21 34.262 34.262 32.556 1.706 19945 8112 1 9 . 1 1 21 21 MET H H 21 8.336 8.336 8.047 0.289 19945 8113 1 9 . 1 1 22 22 ILE N N 22 122.065 122.065 121.220 0.845 19945 8114 1 9 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.586 -0.341 19945 8115 1 9 . 1 1 22 22 ILE C C 22 177.592 177.592 177.760 -0.168 19945 8116 1 9 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.213 0.511 19945 8117 1 9 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.877 -0.200 19945 8118 1 9 . 1 1 22 22 ILE H H 22 8.500 8.500 8.066 0.434 19945 8119 1 9 . 1 1 23 23 GLN N N 23 119.264 119.264 119.846 -0.582 19945 8120 1 9 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.818 -0.374 19945 8121 1 9 . 1 1 23 23 GLN C C 23 177.017 177.017 178.169 -1.152 19945 8122 1 9 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.282 0.409 19945 8123 1 9 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.600 -0.752 19945 8124 1 9 . 1 1 23 23 GLN H H 23 7.985 7.985 8.332 -0.347 19945 8125 1 9 . 1 1 24 24 LYS N N 24 118.970 118.970 117.335 1.635 19945 8126 1 9 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.009 -0.089 19945 8127 1 9 . 1 1 24 24 LYS C C 24 178.427 178.427 179.183 -0.756 19945 8128 1 9 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.645 0.515 19945 8129 1 9 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.922 0.442 19945 8130 1 9 . 1 1 24 24 LYS H H 24 7.942 7.942 8.283 -0.341 19945 8131 1 9 . 1 1 25 25 GLN N N 25 118.400 118.400 117.631 0.769 19945 8132 1 9 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.130 -0.127 19945 8133 1 9 . 1 1 25 25 GLN C C 25 178.226 178.226 176.952 1.274 19945 8134 1 9 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.740 0.343 19945 8135 1 9 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.090 -0.180 19945 8136 1 9 . 1 1 25 25 GLN H H 25 7.636 7.636 7.609 0.027 19945 8137 1 9 . 1 1 26 26 LEU N N 26 119.080 119.080 116.523 2.557 19945 8138 1 9 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.229 -0.210 19945 8139 1 9 . 1 1 26 26 LEU C C 26 177.247 177.247 177.459 -0.212 19945 8140 1 9 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.167 1.902 19945 8141 1 9 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.096 1.053 19945 8142 1 9 . 1 1 26 26 LEU H H 26 8.098 8.098 7.342 0.756 19945 8143 1 9 . 1 1 27 27 GLY N N 27 107.750 107.750 105.576 2.174 19945 8144 1 9 . 1 1 27 27 GLY C C 27 175.231 175.231 173.753 1.478 19945 8145 1 9 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.444 -0.384 19945 8146 1 9 . 1 1 27 27 GLY H H 27 8.050 8.050 7.904 0.146 19945 8147 1 9 . 1 1 28 28 LYS N N 28 125.187 125.187 122.827 2.360 19945 8148 1 9 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.309 -0.086 19945 8149 1 9 . 1 1 28 28 LYS C C 28 176.372 176.372 177.021 -0.649 19945 8150 1 9 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.306 0.623 19945 8151 1 9 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.514 -0.416 19945 8152 1 9 . 1 1 28 28 LYS H H 28 8.786 8.786 8.630 0.156 19945 8153 1 9 . 1 1 29 29 ASP N N 29 115.960 115.960 116.522 -0.562 19945 8154 1 9 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.541 0.034 19945 8155 1 9 . 1 1 29 29 ASP C C 29 176.437 176.437 177.492 -1.055 19945 8156 1 9 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.352 -1.142 19945 8157 1 9 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.785 -0.983 19945 8158 1 9 . 1 1 29 29 ASP H H 29 8.919 8.919 8.422 0.497 19945 8159 1 9 . 1 1 30 30 VAL N N 30 120.609 120.609 117.722 2.887 19945 8160 1 9 . 1 1 30 30 VAL HA H 30 4.056 4.056 3.950 0.106 19945 8161 1 9 . 1 1 30 30 VAL C C 30 174.656 174.656 174.831 -0.175 19945 8162 1 9 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.611 0.109 19945 8163 1 9 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.716 0.122 19945 8164 1 9 . 1 1 30 30 VAL H H 30 7.573 7.573 7.501 0.072 19945 8165 1 9 . 1 1 31 31 ALA N N 31 123.100 123.100 119.172 3.928 19945 8166 1 9 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.180 0.351 19945 8167 1 9 . 1 1 31 31 ALA C C 31 175.174 175.174 174.702 0.472 19945 8168 1 9 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.661 -0.499 19945 8169 1 9 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.485 0.846 19945 8170 1 9 . 1 1 31 31 ALA H H 31 7.951 7.951 8.054 -0.103 19945 8171 1 9 . 1 1 32 32 ASP N N 32 121.576 121.576 122.014 -0.438 19945 8172 1 9 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.126 -0.257 19945 8173 1 9 . 1 1 32 32 ASP C C 32 174.771 174.771 174.371 0.400 19945 8174 1 9 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.415 -0.003 19945 8175 1 9 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.031 -1.244 19945 8176 1 9 . 1 1 32 32 ASP H H 32 8.175 8.175 8.687 -0.512 19945 8177 1 9 . 1 1 33 33 VAL N N 33 120.428 120.428 122.910 -2.482 19945 8178 1 9 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.783 -0.126 19945 8179 1 9 . 1 1 33 33 VAL C C 33 174.252 174.252 175.182 -0.930 19945 8180 1 9 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.050 -0.747 19945 8181 1 9 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.302 0.574 19945 8182 1 9 . 1 1 33 33 VAL H H 33 8.397 8.397 8.470 -0.073 19945 8183 1 9 . 1 1 34 34 HIS N N 34 125.285 125.285 125.751 -0.466 19945 8184 1 9 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.884 -0.331 19945 8185 1 9 . 1 1 34 34 HIS C C 34 171.920 171.920 172.406 -0.486 19945 8186 1 9 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.340 -1.769 19945 8187 1 9 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.115 -0.695 19945 8188 1 9 . 1 1 34 34 HIS H H 34 8.945 8.945 9.324 -0.379 19945 8189 1 9 . 1 1 35 35 ASP N N 35 124.120 124.120 120.119 4.001 19945 8190 1 9 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.897 -1.600 19945 8191 1 9 . 1 1 35 35 ASP C C 35 179.780 179.780 176.138 3.642 19945 8192 1 9 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.453 -0.697 19945 8193 1 9 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.425 -2.029 19945 8194 1 9 . 1 1 35 35 ASP H H 35 8.589 8.589 8.772 -0.183 19945 8195 1 9 . 1 1 36 36 ILE N N 36 106.681 106.681 126.170 -19.489 19945 8196 1 9 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.291 0.263 19945 8197 1 9 . 1 1 36 36 ILE C C 36 175.404 175.404 175.650 -0.246 19945 8198 1 9 . 1 1 36 36 ILE CA C 36 59.350 59.350 61.908 -2.558 19945 8199 1 9 . 1 1 36 36 ILE CB C 36 39.271 39.271 36.995 2.276 19945 8200 1 9 . 1 1 36 36 ILE H H 36 9.705 9.705 8.732 0.973 19945 8201 1 9 . 1 1 37 37 ALA N N 37 123.095 123.095 119.387 3.708 19945 8202 1 9 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.009 0.080 19945 8203 1 9 . 1 1 37 37 ALA C C 37 178.140 178.140 178.367 -0.227 19945 8204 1 9 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.017 -0.401 19945 8205 1 9 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.881 0.465 19945 8206 1 9 . 1 1 37 37 ALA H H 37 8.261 8.261 7.992 0.269 19945 8207 1 9 . 1 1 38 38 LYS N N 38 115.312 115.312 116.972 -1.660 19945 8208 1 9 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.255 0.356 19945 8209 1 9 . 1 1 38 38 LYS C C 38 176.498 176.498 177.180 -0.682 19945 8210 1 9 . 1 1 38 38 LYS CA C 38 54.147 54.147 57.140 -2.993 19945 8211 1 9 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.879 0.547 19945 8212 1 9 . 1 1 38 38 LYS H H 38 7.437 7.437 7.647 -0.210 19945 8213 1 9 . 1 1 39 39 SER N N 39 115.623 115.623 114.696 0.927 19945 8214 1 9 . 1 1 39 39 SER HA H 39 5.019 5.019 4.214 0.805 19945 8215 1 9 . 1 1 39 39 SER C C 39 171.402 171.402 173.652 -2.250 19945 8216 1 9 . 1 1 39 39 SER CA C 39 58.929 58.929 59.427 -0.498 19945 8217 1 9 . 1 1 39 39 SER CB C 39 65.538 65.538 63.978 1.560 19945 8218 1 9 . 1 1 39 39 SER H H 39 7.051 7.051 7.525 -0.474 19945 8219 1 9 . 1 1 40 40 SER N N 40 118.860 118.860 115.076 3.784 19945 8220 1 9 . 1 1 40 40 SER HA H 40 5.025 5.025 4.881 0.144 19945 8221 1 9 . 1 1 40 40 SER C C 40 174.741 174.741 174.700 0.041 19945 8222 1 9 . 1 1 40 40 SER CA C 40 56.003 56.003 57.171 -1.168 19945 8223 1 9 . 1 1 40 40 SER CB C 40 67.416 67.416 66.556 0.860 19945 8224 1 9 . 1 1 40 40 SER H H 40 9.377 9.377 8.360 1.017 19945 8225 1 9 . 1 1 41 41 LYS N N 41 122.504 122.504 122.757 -0.253 19945 8226 1 9 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.043 -0.305 19945 8227 1 9 . 1 1 41 41 LYS C C 41 177.391 177.391 178.430 -1.039 19945 8228 1 9 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.817 1.156 19945 8229 1 9 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.572 0.735 19945 8230 1 9 . 1 1 41 41 LYS H H 41 9.098 9.098 8.794 0.304 19945 8231 1 9 . 1 1 42 42 GLU N N 42 115.836 115.836 116.131 -0.295 19945 8232 1 9 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.184 -0.056 19945 8233 1 9 . 1 1 42 42 GLU C C 42 178.773 178.773 178.305 0.468 19945 8234 1 9 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.372 1.620 19945 8235 1 9 . 1 1 42 42 GLU CB C 42 28.644 28.644 28.896 -0.252 19945 8236 1 9 . 1 1 42 42 GLU H H 42 8.839 8.839 8.591 0.248 19945 8237 1 9 . 1 1 43 43 ASP N N 43 119.589 119.589 120.953 -1.364 19945 8238 1 9 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.520 -0.034 19945 8239 1 9 . 1 1 43 43 ASP C C 43 177.564 177.564 178.645 -1.081 19945 8240 1 9 . 1 1 43 43 ASP CA C 43 57.601 57.601 57.026 0.575 19945 8241 1 9 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.994 -0.188 19945 8242 1 9 . 1 1 43 43 ASP H H 43 7.794 7.794 7.758 0.036 19945 8243 1 9 . 1 1 44 44 LEU N N 44 118.745 118.745 119.949 -1.204 19945 8244 1 9 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.326 -0.355 19945 8245 1 9 . 1 1 44 44 LEU C C 44 178.600 178.600 179.141 -0.541 19945 8246 1 9 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.302 1.580 19945 8247 1 9 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.954 0.770 19945 8248 1 9 . 1 1 44 44 LEU H H 44 6.854 6.854 7.670 -0.816 19945 8249 1 9 . 1 1 45 45 GLU N N 45 114.280 114.280 118.282 -4.002 19945 8250 1 9 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.036 -0.409 19945 8251 1 9 . 1 1 45 45 GLU C C 45 176.988 176.988 177.947 -0.959 19945 8252 1 9 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.752 -0.076 19945 8253 1 9 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.339 0.899 19945 8254 1 9 . 1 1 45 45 GLU H H 45 7.571 7.571 7.797 -0.226 19945 8255 1 9 . 1 1 46 46 ALA N N 46 118.860 118.860 121.172 -2.312 19945 8256 1 9 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.155 -0.117 19945 8257 1 9 . 1 1 46 46 ALA C C 46 176.901 176.901 177.831 -0.930 19945 8258 1 9 . 1 1 46 46 ALA CA C 46 53.319 53.319 52.837 0.482 19945 8259 1 9 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.906 0.175 19945 8260 1 9 . 1 1 46 46 ALA H H 46 7.026 7.026 7.358 -0.332 19945 8261 1 9 . 1 1 47 47 TYR N N 47 115.674 115.674 117.275 -1.601 19945 8262 1 9 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.442 0.289 19945 8263 1 9 . 1 1 47 47 TYR C C 47 175.807 175.807 175.966 -0.159 19945 8264 1 9 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.693 -2.086 19945 8265 1 9 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.452 2.210 19945 8266 1 9 . 1 1 47 47 TYR H H 47 7.277 7.277 7.461 -0.184 19945 8267 1 9 . 1 1 48 48 ASP N N 48 121.598 121.598 121.325 0.273 19945 8268 1 9 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.885 0.023 19945 8269 1 9 . 1 1 48 48 ASP C C 48 175.030 175.030 175.545 -0.515 19945 8270 1 9 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.159 0.049 19945 8271 1 9 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.640 -0.994 19945 8272 1 9 . 1 1 48 48 ASP H H 48 9.546 9.546 8.520 1.026 19945 8273 1 9 . 1 1 49 49 ILE N N 49 119.608 119.608 120.130 -0.522 19945 8274 1 9 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.050 0.244 19945 8275 1 9 . 1 1 49 49 ILE C C 49 175.059 175.059 174.649 0.410 19945 8276 1 9 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.389 0.141 19945 8277 1 9 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.710 0.358 19945 8278 1 9 . 1 1 49 49 ILE H H 49 7.331 7.331 7.842 -0.511 19945 8279 1 9 . 1 1 50 50 LEU N N 50 127.901 127.901 127.223 0.678 19945 8280 1 9 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.252 0.408 19945 8281 1 9 . 1 1 50 50 LEU C C 50 174.598 174.598 175.369 -0.771 19945 8282 1 9 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.774 -0.955 19945 8283 1 9 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.669 3.368 19945 8284 1 9 . 1 1 50 50 LEU H H 50 9.095 9.095 9.043 0.052 19945 8285 1 9 . 1 1 51 51 LEU N N 51 123.440 123.440 125.190 -1.750 19945 8286 1 9 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.450 0.582 19945 8287 1 9 . 1 1 51 51 LEU C C 51 175.894 175.894 175.384 0.510 19945 8288 1 9 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.061 -0.750 19945 8289 1 9 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.362 -0.044 19945 8290 1 9 . 1 1 51 51 LEU H H 51 9.275 9.275 9.349 -0.074 19945 8291 1 9 . 1 1 52 52 LEU N N 52 123.320 123.320 125.613 -2.293 19945 8292 1 9 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.321 0.335 19945 8293 1 9 . 1 1 52 52 LEU C C 52 173.763 173.763 175.796 -2.033 19945 8294 1 9 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.546 -0.669 19945 8295 1 9 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.682 -2.196 19945 8296 1 9 . 1 1 52 52 LEU H H 52 9.024 9.024 9.258 -0.234 19945 8297 1 9 . 1 1 53 53 GLY N N 53 110.739 110.739 111.914 -1.175 19945 8298 1 9 . 1 1 53 53 GLY C C 53 174.530 174.530 171.345 3.185 19945 8299 1 9 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.763 0.226 19945 8300 1 9 . 1 1 53 53 GLY H H 53 9.283 9.283 9.196 0.087 19945 8301 1 9 . 1 1 54 54 ILE N N 54 126.032 126.032 123.328 2.704 19945 8302 1 9 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.156 1.050 19945 8303 1 9 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.778 -0.771 19945 8304 1 9 . 1 1 54 54 ILE CB C 54 42.990 42.990 42.112 0.878 19945 8305 1 9 . 1 1 54 54 ILE H H 54 9.136 9.136 8.314 0.822 19945 8306 1 9 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.932 0.385 19945 8307 1 9 . 1 1 55 55 PRO C C 55 174.771 174.771 176.201 -1.430 19945 8308 1 9 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.749 -0.001 19945 8309 1 9 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.169 -0.155 19945 8310 1 9 . 1 1 56 56 THR N N 56 113.710 113.710 115.997 -2.287 19945 8311 1 9 . 1 1 56 56 THR HA H 56 4.582 4.582 5.135 -0.553 19945 8312 1 9 . 1 1 56 56 THR C C 56 171.719 171.719 173.696 -1.977 19945 8313 1 9 . 1 1 56 56 THR CA C 56 62.383 62.383 61.863 0.520 19945 8314 1 9 . 1 1 56 56 THR CB C 56 69.692 69.692 71.299 -1.607 19945 8315 1 9 . 1 1 56 56 THR H H 56 6.599 6.599 7.755 -1.156 19945 8316 1 9 . 1 1 57 57 TRP N N 57 130.050 130.050 124.146 5.904 19945 8317 1 9 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.762 -2.136 19945 8318 1 9 . 1 1 57 57 TRP C C 57 172.611 172.611 175.536 -2.925 19945 8319 1 9 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.189 -0.914 19945 8320 1 9 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.329 2.425 19945 8321 1 9 . 1 1 57 57 TRP H H 57 8.865 8.865 8.997 -0.132 19945 8322 1 9 . 1 1 58 58 TYR N N 58 112.793 112.793 119.388 -6.595 19945 8323 1 9 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.910 0.306 19945 8324 1 9 . 1 1 58 58 TYR C C 58 173.619 173.619 173.294 0.325 19945 8325 1 9 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.796 -1.596 19945 8326 1 9 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.604 -1.404 19945 8327 1 9 . 1 1 58 58 TYR H H 58 5.730 5.730 8.883 -3.153 19945 8328 1 9 . 1 1 59 59 TYR N N 59 112.220 112.220 118.711 -6.491 19945 8329 1 9 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.159 -0.764 19945 8330 1 9 . 1 1 59 59 TYR C C 59 175.865 175.865 174.832 1.033 19945 8331 1 9 . 1 1 59 59 TYR CA C 59 59.460 59.460 56.989 2.471 19945 8332 1 9 . 1 1 59 59 TYR CB C 59 33.610 33.610 39.249 -5.639 19945 8333 1 9 . 1 1 59 59 TYR H H 59 7.661 7.661 7.673 -0.012 19945 8334 1 9 . 1 1 60 60 GLY N N 60 104.550 104.550 110.667 -6.117 19945 8335 1 9 . 1 1 60 60 GLY C C 60 174.483 174.483 174.543 -0.060 19945 8336 1 9 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.391 0.787 19945 8337 1 9 . 1 1 60 60 GLY H H 60 8.142 8.142 8.397 -0.255 19945 8338 1 9 . 1 1 61 61 GLU N N 61 120.991 120.991 120.280 0.711 19945 8339 1 9 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.619 -0.181 19945 8340 1 9 . 1 1 61 61 GLU C C 61 175.548 175.548 175.950 -0.402 19945 8341 1 9 . 1 1 61 61 GLU CA C 61 55.476 55.476 55.292 0.184 19945 8342 1 9 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.128 -0.628 19945 8343 1 9 . 1 1 61 61 GLU H H 61 8.307 8.307 8.089 0.218 19945 8344 1 9 . 1 1 62 62 ALA N N 62 122.750 122.750 122.889 -0.139 19945 8345 1 9 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.890 -0.684 19945 8346 1 9 . 1 1 62 62 ALA C C 62 176.671 176.671 177.583 -0.912 19945 8347 1 9 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.224 0.587 19945 8348 1 9 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.437 0.769 19945 8349 1 9 . 1 1 62 62 ALA H H 62 8.722 8.722 8.567 0.155 19945 8350 1 9 . 1 1 63 63 GLN N N 63 120.579 120.579 118.533 2.046 19945 8351 1 9 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.069 -0.183 19945 8352 1 9 . 1 1 63 63 GLN C C 63 176.757 176.757 177.405 -0.648 19945 8353 1 9 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.809 1.800 19945 8354 1 9 . 1 1 63 63 GLN H H 63 6.302 6.302 8.735 -2.433 19945 8355 1 9 . 1 1 64 64 CYS N N 64 125.487 125.487 122.108 3.379 19945 8356 1 9 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.068 0.043 19945 8357 1 9 . 1 1 64 64 CYS C C 64 174.972 174.972 176.139 -1.167 19945 8358 1 9 . 1 1 64 64 CYS CA C 64 61.489 61.489 61.773 -0.284 19945 8359 1 9 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.245 0.337 19945 8360 1 9 . 1 1 64 64 CYS H H 64 9.091 9.091 8.640 0.451 19945 8361 1 9 . 1 1 65 65 ASP N N 65 120.298 120.298 118.296 2.002 19945 8362 1 9 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.357 0.042 19945 8363 1 9 . 1 1 65 65 ASP C C 65 179.000 179.000 176.699 2.301 19945 8364 1 9 . 1 1 65 65 ASP CA C 65 58.132 58.132 56.317 1.815 19945 8365 1 9 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.170 1.053 19945 8366 1 9 . 1 1 65 65 ASP H H 65 7.093 7.093 8.251 -1.158 19945 8367 1 9 . 1 1 66 66 TRP N N 66 122.608 122.608 121.089 1.519 19945 8368 1 9 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.288 -0.072 19945 8369 1 9 . 1 1 66 66 TRP C C 66 176.930 176.930 178.374 -1.444 19945 8370 1 9 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.111 1.412 19945 8371 1 9 . 1 1 66 66 TRP CB C 66 29.961 29.961 30.418 -0.457 19945 8372 1 9 . 1 1 66 66 TRP H H 66 7.394 7.394 7.604 -0.210 19945 8373 1 9 . 1 1 67 67 ASP N N 67 118.860 118.860 120.537 -1.677 19945 8374 1 9 . 1 1 67 67 ASP HA H 67 3.525 3.525 4.092 -0.567 19945 8375 1 9 . 1 1 67 67 ASP C C 67 179.579 179.579 178.340 1.239 19945 8376 1 9 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.768 -0.427 19945 8377 1 9 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.908 1.492 19945 8378 1 9 . 1 1 67 67 ASP H H 67 8.087 8.087 8.583 -0.496 19945 8379 1 9 . 1 1 68 68 ASP N N 68 116.220 116.220 119.509 -3.289 19945 8380 1 9 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.410 -0.054 19945 8381 1 9 . 1 1 68 68 ASP C C 68 176.873 176.873 177.165 -0.292 19945 8382 1 9 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.324 -0.069 19945 8383 1 9 . 1 1 68 68 ASP CB C 68 40.807 40.807 40.971 -0.164 19945 8384 1 9 . 1 1 68 68 ASP H H 68 8.056 8.056 8.122 -0.066 19945 8385 1 9 . 1 1 69 69 PHE N N 69 120.493 120.493 117.179 3.314 19945 8386 1 9 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.321 0.042 19945 8387 1 9 . 1 1 69 69 PHE C C 69 177.103 177.103 175.656 1.447 19945 8388 1 9 . 1 1 69 69 PHE CA C 69 58.929 58.929 58.693 0.236 19945 8389 1 9 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.759 1.771 19945 8390 1 9 . 1 1 69 69 PHE H H 69 7.659 7.659 7.381 0.278 19945 8391 1 9 . 1 1 70 70 PHE N N 70 122.293 122.293 119.933 2.360 19945 8392 1 9 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.271 0.747 19945 8393 1 9 . 1 1 70 70 PHE C C 70 174.396 174.396 174.713 -0.317 19945 8394 1 9 . 1 1 70 70 PHE CA C 70 59.123 59.123 63.079 -3.956 19945 8395 1 9 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.599 -0.844 19945 8396 1 9 . 1 1 70 70 PHE H H 70 8.197 8.197 7.648 0.549 19945 8397 1 9 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.308 0.090 19945 8398 1 9 . 1 1 71 71 PRO C C 71 179.118 179.118 177.338 1.780 19945 8399 1 9 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.116 1.251 19945 8400 1 9 . 1 1 71 71 PRO CB C 71 30.930 30.930 30.965 -0.035 19945 8401 1 9 . 1 1 72 72 THR N N 72 114.461 114.461 113.318 1.143 19945 8402 1 9 . 1 1 72 72 THR HA H 72 3.816 3.816 3.986 -0.170 19945 8403 1 9 . 1 1 72 72 THR C C 72 176.498 176.498 176.550 -0.052 19945 8404 1 9 . 1 1 72 72 THR CA C 72 65.803 65.803 64.576 1.227 19945 8405 1 9 . 1 1 72 72 THR CB C 72 67.203 67.203 68.450 -1.247 19945 8406 1 9 . 1 1 72 72 THR H H 72 7.534 7.534 7.573 -0.039 19945 8407 1 9 . 1 1 73 73 LEU N N 73 124.812 124.812 123.701 1.111 19945 8408 1 9 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.133 -0.043 19945 8409 1 9 . 1 1 73 73 LEU C C 73 177.996 177.996 178.244 -0.248 19945 8410 1 9 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.164 -0.013 19945 8411 1 9 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.325 1.461 19945 8412 1 9 . 1 1 73 73 LEU H H 73 8.123 8.123 8.172 -0.049 19945 8413 1 9 . 1 1 74 74 GLU N N 74 111.877 111.877 116.953 -5.076 19945 8414 1 9 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.304 -0.479 19945 8415 1 9 . 1 1 74 74 GLU C C 74 176.930 176.930 177.333 -0.403 19945 8416 1 9 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.047 -0.372 19945 8417 1 9 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.029 0.992 19945 8418 1 9 . 1 1 74 74 GLU H H 74 7.933 7.933 8.176 -0.243 19945 8419 1 9 . 1 1 75 75 GLU N N 75 116.571 116.571 117.723 -1.152 19945 8420 1 9 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.303 0.044 19945 8421 1 9 . 1 1 75 75 GLU C C 75 177.045 177.045 176.206 0.839 19945 8422 1 9 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.107 -0.081 19945 8423 1 9 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.759 -0.250 19945 8424 1 9 . 1 1 75 75 GLU H H 75 7.659 7.659 7.881 -0.223 19945 8425 1 9 . 1 1 76 76 ILE N N 76 123.080 123.080 121.406 1.674 19945 8426 1 9 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.932 -0.155 19945 8427 1 9 . 1 1 76 76 ILE C C 76 174.656 174.656 175.542 -0.886 19945 8428 1 9 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.733 0.341 19945 8429 1 9 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.878 0.127 19945 8430 1 9 . 1 1 76 76 ILE H H 76 7.468 7.468 7.329 0.139 19945 8431 1 9 . 1 1 77 77 ASP N N 77 126.540 126.540 125.827 0.713 19945 8432 1 9 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.595 0.218 19945 8433 1 9 . 1 1 77 77 ASP C C 77 176.614 176.614 174.908 1.706 19945 8434 1 9 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.652 -0.511 19945 8435 1 9 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.882 -1.017 19945 8436 1 9 . 1 1 77 77 ASP H H 77 8.605 8.605 8.244 0.361 19945 8437 1 9 . 1 1 78 78 PHE N N 78 124.583 124.583 122.556 2.027 19945 8438 1 9 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.687 -0.527 19945 8439 1 9 . 1 1 78 78 PHE C C 78 175.347 175.347 175.433 -0.086 19945 8440 1 9 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.818 2.324 19945 8441 1 9 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.877 0.291 19945 8442 1 9 . 1 1 78 78 PHE H H 78 8.053 8.053 7.757 0.296 19945 8443 1 9 . 1 1 79 79 ASN N N 79 121.321 121.321 120.527 0.794 19945 8444 1 9 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.515 0.002 19945 8445 1 9 . 1 1 79 79 ASN C C 79 176.815 176.815 176.633 0.182 19945 8446 1 9 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.278 1.174 19945 8447 1 9 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.190 0.549 19945 8448 1 9 . 1 1 79 79 ASN H H 79 8.695 8.695 8.443 0.252 19945 8449 1 9 . 1 1 80 80 GLY N N 80 114.150 114.150 113.704 0.446 19945 8450 1 9 . 1 1 80 80 GLY C C 80 174.195 174.195 174.487 -0.292 19945 8451 1 9 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.468 0.178 19945 8452 1 9 . 1 1 80 80 GLY H H 80 8.646 8.646 8.743 -0.097 19945 8453 1 9 . 1 1 81 81 LYS N N 81 119.318 119.318 120.766 -1.448 19945 8454 1 9 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.265 0.772 19945 8455 1 9 . 1 1 81 81 LYS C C 81 176.268 176.268 176.141 0.127 19945 8456 1 9 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.716 -0.720 19945 8457 1 9 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.856 0.099 19945 8458 1 9 . 1 1 81 81 LYS H H 81 8.295 8.295 7.860 0.435 19945 8459 1 9 . 1 1 82 82 LEU N N 82 127.000 127.000 122.546 4.454 19945 8460 1 9 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.006 0.224 19945 8461 1 9 . 1 1 82 82 LEU C C 82 175.347 175.347 176.119 -0.772 19945 8462 1 9 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.353 -0.549 19945 8463 1 9 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.376 0.775 19945 8464 1 9 . 1 1 82 82 LEU H H 82 8.407 8.407 8.619 -0.212 19945 8465 1 9 . 1 1 83 83 VAL N N 83 121.665 121.665 121.388 0.277 19945 8466 1 9 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.368 0.472 19945 8467 1 9 . 1 1 83 83 VAL C C 83 173.417 173.417 174.080 -0.663 19945 8468 1 9 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.221 -1.019 19945 8469 1 9 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.111 0.237 19945 8470 1 9 . 1 1 83 83 VAL H H 83 8.960 8.960 9.126 -0.166 19945 8471 1 9 . 1 1 84 84 ALA N N 84 128.017 128.017 127.041 0.976 19945 8472 1 9 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.513 -0.180 19945 8473 1 9 . 1 1 84 84 ALA C C 84 175.231 175.231 175.311 -0.080 19945 8474 1 9 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.192 0.236 19945 8475 1 9 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.245 0.883 19945 8476 1 9 . 1 1 84 84 ALA H H 84 9.021 9.021 9.063 -0.042 19945 8477 1 9 . 1 1 85 85 LEU N N 85 124.220 124.220 121.694 2.526 19945 8478 1 9 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.638 -0.026 19945 8479 1 9 . 1 1 85 85 LEU C C 85 174.454 174.454 175.776 -1.322 19945 8480 1 9 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.688 -0.715 19945 8481 1 9 . 1 1 85 85 LEU CB C 85 45.912 45.912 46.122 -0.210 19945 8482 1 9 . 1 1 85 85 LEU H H 85 11.134 11.134 8.874 2.260 19945 8483 1 9 . 1 1 86 86 PHE N N 86 114.461 114.461 117.511 -3.050 19945 8484 1 9 . 1 1 86 86 PHE HA H 86 5.222 5.222 4.853 0.369 19945 8485 1 9 . 1 1 86 86 PHE C C 86 173.619 173.619 173.666 -0.047 19945 8486 1 9 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.230 -0.552 19945 8487 1 9 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.745 1.235 19945 8488 1 9 . 1 1 86 86 PHE H H 86 8.829 8.829 8.912 -0.083 19945 8489 1 9 . 1 1 87 87 GLY N N 87 104.437 104.437 105.933 -1.496 19945 8490 1 9 . 1 1 87 87 GLY C C 87 170.423 170.423 171.615 -1.192 19945 8491 1 9 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.295 0.635 19945 8492 1 9 . 1 1 87 87 GLY H H 87 8.496 8.496 8.700 -0.204 19945 8493 1 9 . 1 1 88 88 CYS N N 88 114.166 114.166 117.213 -3.047 19945 8494 1 9 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.699 1.304 19945 8495 1 9 . 1 1 88 88 CYS C C 88 174.425 174.425 173.335 1.090 19945 8496 1 9 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.347 -0.809 19945 8497 1 9 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.805 0.496 19945 8498 1 9 . 1 1 88 88 CYS H H 88 5.354 5.354 8.123 -2.769 19945 8499 1 9 . 1 1 89 89 GLY N N 89 109.463 109.463 110.187 -0.724 19945 8500 1 9 . 1 1 89 89 GLY C C 89 173.187 173.187 171.641 1.546 19945 8501 1 9 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.008 1.435 19945 8502 1 9 . 1 1 89 89 GLY H H 89 8.404 8.404 8.146 0.258 19945 8503 1 9 . 1 1 90 90 ASP N N 90 123.090 123.090 118.150 4.940 19945 8504 1 9 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.266 0.533 19945 8505 1 9 . 1 1 90 90 ASP C C 90 176.095 176.095 175.283 0.812 19945 8506 1 9 . 1 1 90 90 ASP CA C 90 52.553 52.553 52.410 0.143 19945 8507 1 9 . 1 1 90 90 ASP CB C 90 43.255 43.255 44.004 -0.749 19945 8508 1 9 . 1 1 90 90 ASP H H 90 8.698 8.698 8.310 0.388 19945 8509 1 9 . 1 1 91 91 GLN N N 91 123.780 123.780 121.895 1.885 19945 8510 1 9 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.401 -0.705 19945 8511 1 9 . 1 1 91 91 GLN C C 91 173.639 173.639 174.641 -1.002 19945 8512 1 9 . 1 1 91 91 GLN CA C 91 57.060 57.060 54.876 2.184 19945 8513 1 9 . 1 1 91 91 GLN CB C 91 29.441 29.441 27.909 1.532 19945 8514 1 9 . 1 1 91 91 GLN H H 91 9.675 9.675 8.539 1.137 19945 8515 1 9 . 1 1 92 92 GLU N N 92 118.631 118.631 121.476 -2.845 19945 8516 1 9 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.058 0.533 19945 8517 1 9 . 1 1 92 92 GLU C C 92 177.247 177.247 177.230 0.017 19945 8518 1 9 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.809 -1.473 19945 8519 1 9 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.591 1.179 19945 8520 1 9 . 1 1 92 92 GLU H H 92 8.396 8.396 8.492 -0.096 19945 8521 1 9 . 1 1 93 93 ASP N N 93 120.889 120.889 117.465 3.424 19945 8522 1 9 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.598 -0.316 19945 8523 1 9 . 1 1 93 93 ASP C C 93 175.986 175.986 177.782 -1.796 19945 8524 1 9 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.325 0.100 19945 8525 1 9 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.881 -1.631 19945 8526 1 9 . 1 1 93 93 ASP H H 93 7.779 7.779 7.564 0.215 19945 8527 1 9 . 1 1 94 94 TYR N N 94 117.028 117.028 120.843 -3.815 19945 8528 1 9 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.858 -0.173 19945 8529 1 9 . 1 1 94 94 TYR C C 94 175.519 175.519 176.036 -0.517 19945 8530 1 9 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.084 0.295 19945 8531 1 9 . 1 1 94 94 TYR CB C 94 36.842 36.842 35.910 0.932 19945 8532 1 9 . 1 1 94 94 TYR H H 94 6.693 6.693 7.731 -1.038 19945 8533 1 9 . 1 1 95 95 ALA N N 95 121.950 121.950 123.534 -1.584 19945 8534 1 9 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.065 0.091 19945 8535 1 9 . 1 1 95 95 ALA C C 95 179.723 179.723 178.255 1.468 19945 8536 1 9 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.848 1.075 19945 8537 1 9 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.928 1.627 19945 8538 1 9 . 1 1 95 95 ALA H H 95 6.962 6.962 7.936 -0.974 19945 8539 1 9 . 1 1 96 96 GLU N N 96 115.884 115.884 116.517 -0.633 19945 8540 1 9 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.368 -0.062 19945 8541 1 9 . 1 1 96 96 GLU C C 96 174.684 174.684 176.553 -1.869 19945 8542 1 9 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.276 -0.291 19945 8543 1 9 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.504 -0.328 19945 8544 1 9 . 1 1 96 96 GLU H H 96 9.327 9.327 8.705 0.622 19945 8545 1 9 . 1 1 97 97 TYR N N 97 121.836 121.836 117.104 4.732 19945 8546 1 9 . 1 1 97 97 TYR HA H 97 5.409 5.409 5.028 0.381 19945 8547 1 9 . 1 1 97 97 TYR C C 97 179.953 179.953 174.899 5.054 19945 8548 1 9 . 1 1 97 97 TYR CA C 97 56.442 56.442 55.962 0.480 19945 8549 1 9 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.119 2.173 19945 8550 1 9 . 1 1 97 97 TYR H H 97 8.175 8.175 8.258 -0.083 19945 8551 1 9 . 1 1 98 98 PHE N N 98 124.580 124.580 124.207 0.373 19945 8552 1 9 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.579 0.558 19945 8553 1 9 . 1 1 98 98 PHE C C 98 174.742 174.742 175.727 -0.985 19945 8554 1 9 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.605 0.058 19945 8555 1 9 . 1 1 98 98 PHE CB C 98 38.655 38.655 38.968 -0.313 19945 8556 1 9 . 1 1 98 98 PHE H H 98 7.889 7.889 7.785 0.104 19945 8557 1 9 . 1 1 99 99 CYS N N 99 120.329 120.329 123.706 -3.377 19945 8558 1 9 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.726 -0.074 19945 8559 1 9 . 1 1 99 99 CYS C C 99 175.087 175.087 175.472 -0.385 19945 8560 1 9 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.070 2.806 19945 8561 1 9 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.171 -1.171 19945 8562 1 9 . 1 1 99 99 CYS H H 99 8.617 8.617 8.880 -0.263 19945 8563 1 9 . 1 1 100 100 ASP N N 100 116.705 116.705 121.669 -4.964 19945 8564 1 9 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.268 -0.323 19945 8565 1 9 . 1 1 100 100 ASP C C 100 178.888 178.888 177.169 1.719 19945 8566 1 9 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.579 0.549 19945 8567 1 9 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.176 0.774 19945 8568 1 9 . 1 1 100 100 ASP H H 100 7.104 7.104 8.062 -0.958 19945 8569 1 9 . 1 1 101 101 ALA N N 101 118.631 118.631 121.635 -3.004 19945 8570 1 9 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.210 -0.059 19945 8571 1 9 . 1 1 101 101 ALA C C 101 178.600 178.600 179.538 -0.938 19945 8572 1 9 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.339 0.058 19945 8573 1 9 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.604 0.206 19945 8574 1 9 . 1 1 101 101 ALA H H 101 8.716 8.716 7.613 1.103 19945 8575 1 9 . 1 1 102 102 LEU N N 102 115.083 115.083 119.081 -3.998 19945 8576 1 9 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.887 -0.273 19945 8577 1 9 . 1 1 102 102 LEU C C 102 179.573 179.573 179.150 0.423 19945 8578 1 9 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.538 0.306 19945 8579 1 9 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.506 1.208 19945 8580 1 9 . 1 1 102 102 LEU H H 102 7.171 7.171 7.701 -0.530 19945 8581 1 9 . 1 1 103 103 GLY N N 103 104.501 104.501 105.041 -0.540 19945 8582 1 9 . 1 1 103 103 GLY C C 103 175.145 175.145 175.602 -0.457 19945 8583 1 9 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.392 -0.684 19945 8584 1 9 . 1 1 103 103 GLY H H 103 7.365 7.365 8.450 -1.085 19945 8585 1 9 . 1 1 104 104 THR N N 104 118.860 118.860 118.697 0.163 19945 8586 1 9 . 1 1 104 104 THR HA H 104 3.737 3.737 3.838 -0.101 19945 8587 1 9 . 1 1 104 104 THR C C 104 176.354 176.354 176.488 -0.134 19945 8588 1 9 . 1 1 104 104 THR CA C 104 65.799 65.799 66.528 -0.730 19945 8589 1 9 . 1 1 104 104 THR CB C 104 67.961 67.961 68.232 -0.271 19945 8590 1 9 . 1 1 104 104 THR H H 104 7.343 7.343 7.396 -0.053 19945 8591 1 9 . 1 1 105 105 ILE N N 105 118.663 118.663 121.592 -2.929 19945 8592 1 9 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.773 -0.269 19945 8593 1 9 . 1 1 105 105 ILE C C 105 177.391 177.391 177.365 0.026 19945 8594 1 9 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.953 0.597 19945 8595 1 9 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.505 0.245 19945 8596 1 9 . 1 1 105 105 ILE H H 105 7.589 7.589 7.525 0.064 19945 8597 1 9 . 1 1 106 106 ARG N N 106 126.041 126.041 120.535 5.506 19945 8598 1 9 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.834 -0.254 19945 8599 1 9 . 1 1 106 106 ARG C C 106 176.614 176.614 178.115 -1.501 19945 8600 1 9 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.128 0.139 19945 8601 1 9 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.022 -2.706 19945 8602 1 9 . 1 1 106 106 ARG H H 106 7.307 7.307 7.935 -0.628 19945 8603 1 9 . 1 1 107 107 ASP N N 107 117.480 117.480 117.308 0.172 19945 8604 1 9 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.472 -0.124 19945 8605 1 9 . 1 1 107 107 ASP C C 107 177.189 177.189 177.724 -0.535 19945 8606 1 9 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.909 -0.409 19945 8607 1 9 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.706 -1.032 19945 8608 1 9 . 1 1 107 107 ASP H H 107 8.202 8.202 8.271 -0.069 19945 8609 1 9 . 1 1 108 108 ILE N N 108 117.715 117.715 118.118 -0.403 19945 8610 1 9 . 1 1 108 108 ILE HA H 108 3.856 3.856 4.012 -0.156 19945 8611 1 9 . 1 1 108 108 ILE C C 108 178.427 178.427 177.726 0.701 19945 8612 1 9 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.547 0.430 19945 8613 1 9 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.141 0.310 19945 8614 1 9 . 1 1 108 108 ILE H H 108 7.107 7.107 7.477 -0.370 19945 8615 1 9 . 1 1 109 109 ILE N N 109 111.534 111.534 118.009 -6.475 19945 8616 1 9 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.423 0.312 19945 8617 1 9 . 1 1 109 109 ILE C C 109 177.305 177.305 177.219 0.086 19945 8618 1 9 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.663 -0.058 19945 8619 1 9 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.460 -0.049 19945 8620 1 9 . 1 1 109 109 ILE H H 109 7.501 7.501 8.230 -0.729 19945 8621 1 9 . 1 1 110 110 GLU N N 110 127.123 127.123 122.641 4.482 19945 8622 1 9 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.262 0.036 19945 8623 1 9 . 1 1 110 110 GLU C C 110 177.391 177.391 177.033 0.358 19945 8624 1 9 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.404 1.927 19945 8625 1 9 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.518 -0.670 19945 8626 1 9 . 1 1 110 110 GLU H H 110 8.867 8.867 8.552 0.315 19945 8627 1 9 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.330 0.286 19945 8628 1 9 . 1 1 111 111 PRO C C 111 177.417 177.417 177.997 -0.580 19945 8629 1 9 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.588 0.647 19945 8630 1 9 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.363 -0.327 19945 8631 1 9 . 1 1 112 112 ARG N N 112 114.612 114.612 117.893 -3.281 19945 8632 1 9 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.526 0.042 19945 8633 1 9 . 1 1 112 112 ARG C C 112 175.792 175.792 176.620 -0.828 19945 8634 1 9 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.929 -0.188 19945 8635 1 9 . 1 1 112 112 ARG CB C 112 30.504 30.504 30.135 0.369 19945 8636 1 9 . 1 1 112 112 ARG H H 112 6.542 6.542 7.563 -1.021 19945 8637 1 9 . 1 1 113 113 GLY N N 113 106.474 106.474 106.208 0.266 19945 8638 1 9 . 1 1 113 113 GLY C C 113 174.347 174.347 174.031 0.316 19945 8639 1 9 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.116 0.524 19945 8640 1 9 . 1 1 113 113 GLY H H 113 7.845 7.845 7.867 -0.022 19945 8641 1 9 . 1 1 114 114 ALA N N 114 122.280 122.280 124.123 -1.843 19945 8642 1 9 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.909 -0.630 19945 8643 1 9 . 1 1 114 114 ALA C C 114 176.785 176.785 177.258 -0.473 19945 8644 1 9 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.229 1.162 19945 8645 1 9 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.712 -0.100 19945 8646 1 9 . 1 1 114 114 ALA H H 114 7.535 7.535 8.042 -0.507 19945 8647 1 9 . 1 1 115 115 THR N N 115 120.909 120.909 119.240 1.669 19945 8648 1 9 . 1 1 115 115 THR HA H 115 4.478 4.478 4.658 -0.180 19945 8649 1 9 . 1 1 115 115 THR C C 115 172.963 172.963 173.411 -0.448 19945 8650 1 9 . 1 1 115 115 THR CA C 115 62.825 62.825 62.545 0.280 19945 8651 1 9 . 1 1 115 115 THR CB C 115 69.501 69.501 69.335 0.165 19945 8652 1 9 . 1 1 115 115 THR H H 115 7.902 7.902 8.692 -0.790 19945 8653 1 9 . 1 1 116 116 ILE N N 116 129.162 129.162 128.549 0.613 19945 8654 1 9 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.108 0.189 19945 8655 1 9 . 1 1 116 116 ILE C C 116 177.056 177.056 175.854 1.202 19945 8656 1 9 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.450 0.073 19945 8657 1 9 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.346 -1.046 19945 8658 1 9 . 1 1 116 116 ILE H H 116 8.784 8.784 8.882 -0.098 19945 8659 1 9 . 1 1 117 117 VAL N N 117 122.981 122.981 121.897 1.084 19945 8660 1 9 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.715 -0.121 19945 8661 1 9 . 1 1 117 117 VAL C C 117 175.190 175.190 176.101 -0.911 19945 8662 1 9 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.146 -0.217 19945 8663 1 9 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.755 -2.391 19945 8664 1 9 . 1 1 117 117 VAL H H 117 8.812 8.812 8.847 -0.035 19945 8665 1 9 . 1 1 118 118 GLY N N 118 108.558 108.558 106.346 2.212 19945 8666 1 9 . 1 1 118 118 GLY C C 118 175.792 175.792 174.704 1.088 19945 8667 1 9 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.779 1.967 19945 8668 1 9 . 1 1 118 118 GLY H H 118 9.297 9.297 8.835 0.462 19945 8669 1 9 . 1 1 119 119 HIS N N 119 118.402 118.402 118.998 -0.596 19945 8670 1 9 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.885 -0.113 19945 8671 1 9 . 1 1 119 119 HIS C C 119 175.866 175.866 175.249 0.617 19945 8672 1 9 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.085 -1.483 19945 8673 1 9 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.101 -1.245 19945 8674 1 9 . 1 1 119 119 HIS H H 119 8.901 8.901 8.094 0.807 19945 8675 1 9 . 1 1 120 120 TRP N N 120 124.300 124.300 125.710 -1.410 19945 8676 1 9 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.265 1.028 19945 8677 1 9 . 1 1 120 120 TRP C C 120 173.113 173.113 173.344 -0.231 19945 8678 1 9 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.988 -0.484 19945 8679 1 9 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.102 2.184 19945 8680 1 9 . 1 1 120 120 TRP H H 120 8.455 8.455 9.183 -0.728 19945 8681 1 9 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.901 0.696 19945 8682 1 9 . 1 1 121 121 PRO C C 121 176.243 176.243 176.708 -0.465 19945 8683 1 9 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.506 0.944 19945 8684 1 9 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.074 0.023 19945 8685 1 9 . 1 1 122 122 THR N N 122 110.568 110.568 113.187 -2.619 19945 8686 1 9 . 1 1 122 122 THR HA H 122 4.232 4.232 3.835 0.397 19945 8687 1 9 . 1 1 122 122 THR C C 122 176.424 176.424 175.256 1.168 19945 8688 1 9 . 1 1 122 122 THR CA C 122 62.079 62.079 63.083 -1.004 19945 8689 1 9 . 1 1 122 122 THR CB C 122 68.758 68.758 68.978 -0.220 19945 8690 1 9 . 1 1 122 122 THR H H 122 7.560 7.560 8.145 -0.585 19945 8691 1 9 . 1 1 123 123 ALA N N 123 126.038 126.038 123.505 2.533 19945 8692 1 9 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.934 0.335 19945 8693 1 9 . 1 1 123 123 ALA C C 123 178.862 178.862 177.597 1.265 19945 8694 1 9 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.553 1.329 19945 8695 1 9 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.289 0.995 19945 8696 1 9 . 1 1 123 123 ALA H H 123 7.144 7.144 8.136 -0.992 19945 8697 1 9 . 1 1 124 124 GLY N N 124 111.468 111.468 105.878 5.590 19945 8698 1 9 . 1 1 124 124 GLY C C 124 173.775 173.775 175.448 -1.673 19945 8699 1 9 . 1 1 124 124 GLY CA C 124 45.381 45.381 45.436 -0.055 19945 8700 1 9 . 1 1 124 124 GLY H H 124 9.058 9.058 8.097 0.961 19945 8701 1 9 . 1 1 125 125 TYR N N 125 119.088 119.088 117.907 1.181 19945 8702 1 9 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.281 0.661 19945 8703 1 9 . 1 1 125 125 TYR C C 125 175.581 175.581 177.115 -1.534 19945 8704 1 9 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.316 -2.554 19945 8705 1 9 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.711 1.839 19945 8706 1 9 . 1 1 125 125 TYR H H 125 8.008 8.008 8.145 -0.137 19945 8707 1 9 . 1 1 126 126 HIS N N 126 121.799 121.799 113.810 7.989 19945 8708 1 9 . 1 1 126 126 HIS HA H 126 5.013 5.013 3.715 1.298 19945 8709 1 9 . 1 1 126 126 HIS C C 126 171.969 171.969 172.924 -0.955 19945 8710 1 9 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.245 -2.098 19945 8711 1 9 . 1 1 126 126 HIS CB C 126 28.387 28.387 28.015 0.372 19945 8712 1 9 . 1 1 126 126 HIS H H 126 9.512 9.512 7.528 1.984 19945 8713 1 9 . 1 1 127 127 PHE N N 127 117.258 117.258 115.671 1.587 19945 8714 1 9 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.490 0.433 19945 8715 1 9 . 1 1 127 127 PHE C C 127 172.722 172.722 176.185 -3.463 19945 8716 1 9 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.053 -0.754 19945 8717 1 9 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.972 -1.218 19945 8718 1 9 . 1 1 127 127 PHE H H 127 7.397 7.397 7.060 0.337 19945 8719 1 9 . 1 1 128 128 GLU N N 128 120.484 120.484 120.002 0.482 19945 8720 1 9 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.098 0.265 19945 8721 1 9 . 1 1 128 128 GLU C C 128 176.033 176.033 176.237 -0.204 19945 8722 1 9 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.588 -1.520 19945 8723 1 9 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.154 1.678 19945 8724 1 9 . 1 1 128 128 GLU H H 128 8.492 8.492 8.926 -0.434 19945 8725 1 9 . 1 1 129 129 ALA N N 129 123.500 123.500 120.434 3.066 19945 8726 1 9 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.808 -0.110 19945 8727 1 9 . 1 1 129 129 ALA C C 129 174.016 174.016 175.349 -1.333 19945 8728 1 9 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.982 0.472 19945 8729 1 9 . 1 1 129 129 ALA CB C 129 22.003 22.003 22.355 -0.352 19945 8730 1 9 . 1 1 129 129 ALA H H 129 9.155 9.155 8.324 0.831 19945 8731 1 9 . 1 1 130 130 SER N N 130 110.807 110.807 117.361 -6.554 19945 8732 1 9 . 1 1 130 130 SER HA H 130 4.942 4.942 5.118 -0.176 19945 8733 1 9 . 1 1 130 130 SER C C 130 176.665 176.665 174.909 1.756 19945 8734 1 9 . 1 1 130 130 SER CA C 130 57.471 57.471 57.437 0.034 19945 8735 1 9 . 1 1 130 130 SER CB C 130 67.205 67.205 65.381 1.824 19945 8736 1 9 . 1 1 130 130 SER H H 130 8.101 8.101 8.693 -0.592 19945 8737 1 9 . 1 1 131 131 LYS N N 131 129.963 129.963 126.125 3.838 19945 8738 1 9 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.480 -0.031 19945 8739 1 9 . 1 1 131 131 LYS C C 131 176.533 176.533 177.796 -1.263 19945 8740 1 9 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.075 0.825 19945 8741 1 9 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.392 0.237 19945 8742 1 9 . 1 1 131 131 LYS H H 131 9.690 9.690 8.828 0.862 19945 8743 1 9 . 1 1 132 132 GLY N N 132 107.870 107.870 107.302 0.568 19945 8744 1 9 . 1 1 132 132 GLY C C 132 173.354 173.354 173.528 -0.174 19945 8745 1 9 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.957 0.689 19945 8746 1 9 . 1 1 132 132 GLY H H 132 9.187 9.187 8.242 0.945 19945 8747 1 9 . 1 1 133 133 LEU N N 133 119.088 119.088 121.273 -2.185 19945 8748 1 9 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.151 0.492 19945 8749 1 9 . 1 1 133 133 LEU C C 133 177.748 177.748 176.355 1.393 19945 8750 1 9 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.709 -0.232 19945 8751 1 9 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.151 -1.647 19945 8752 1 9 . 1 1 133 133 LEU H H 133 7.098 7.098 7.411 -0.313 19945 8753 1 9 . 1 1 134 134 ALA N N 134 125.720 125.720 125.890 -0.170 19945 8754 1 9 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.523 -0.286 19945 8755 1 9 . 1 1 134 134 ALA C C 134 176.695 176.695 177.191 -0.496 19945 8756 1 9 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.456 -0.168 19945 8757 1 9 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.632 -1.020 19945 8758 1 9 . 1 1 134 134 ALA H H 134 9.154 9.154 9.102 0.052 19945 8759 1 9 . 1 1 135 135 ASP N N 135 114.952 114.952 117.390 -2.438 19945 8760 1 9 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.854 -0.325 19945 8761 1 9 . 1 1 135 135 ASP C C 135 175.130 175.130 175.785 -0.655 19945 8762 1 9 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.375 -0.415 19945 8763 1 9 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.570 -3.042 19945 8764 1 9 . 1 1 135 135 ASP H H 135 8.299 8.299 7.811 0.488 19945 8765 1 9 . 1 1 136 136 ASP N N 136 114.870 114.870 121.580 -6.710 19945 8766 1 9 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.373 -0.038 19945 8767 1 9 . 1 1 136 136 ASP C C 136 176.303 176.303 176.860 -0.557 19945 8768 1 9 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.050 0.794 19945 8769 1 9 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.945 -0.081 19945 8770 1 9 . 1 1 136 136 ASP H H 136 8.433 8.433 8.803 -0.370 19945 8771 1 9 . 1 1 137 137 ASP N N 137 113.709 113.709 118.068 -4.359 19945 8772 1 9 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.667 0.164 19945 8773 1 9 . 1 1 137 137 ASP C C 137 176.514 176.514 175.208 1.306 19945 8774 1 9 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.140 -0.823 19945 8775 1 9 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.218 0.240 19945 8776 1 9 . 1 1 137 137 ASP H H 137 8.232 8.232 8.350 -0.118 19945 8777 1 9 . 1 1 138 138 HIS N N 138 117.829 117.829 117.680 0.149 19945 8778 1 9 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.961 0.321 19945 8779 1 9 . 1 1 138 138 HIS C C 138 175.130 175.130 173.815 1.315 19945 8780 1 9 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.404 1.195 19945 8781 1 9 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.473 -0.473 19945 8782 1 9 . 1 1 138 138 HIS H H 138 7.764 7.764 7.726 0.038 19945 8783 1 9 . 1 1 139 139 PHE N N 139 123.553 123.553 122.722 0.831 19945 8784 1 9 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.752 0.267 19945 8785 1 9 . 1 1 139 139 PHE C C 139 177.477 177.477 177.216 0.261 19945 8786 1 9 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.652 -0.093 19945 8787 1 9 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.472 3.400 19945 8788 1 9 . 1 1 139 139 PHE H H 139 9.955 9.955 9.510 0.445 19945 8789 1 9 . 1 1 140 140 VAL N N 140 119.420 119.420 120.432 -1.012 19945 8790 1 9 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.337 -0.659 19945 8791 1 9 . 1 1 140 140 VAL C C 140 173.023 173.023 175.383 -2.360 19945 8792 1 9 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.811 -1.694 19945 8793 1 9 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.729 -0.193 19945 8794 1 9 . 1 1 140 140 VAL H H 140 9.178 9.178 8.896 0.282 19945 8795 1 9 . 1 1 141 141 GLY N N 141 105.680 105.680 103.194 2.486 19945 8796 1 9 . 1 1 141 141 GLY C C 141 171.284 171.284 172.414 -1.130 19945 8797 1 9 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.273 0.448 19945 8798 1 9 . 1 1 141 141 GLY H H 141 6.837 6.837 7.485 -0.648 19945 8799 1 9 . 1 1 142 142 LEU N N 142 118.516 118.516 121.951 -3.435 19945 8800 1 9 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.885 -0.838 19945 8801 1 9 . 1 1 142 142 LEU C C 142 173.725 173.725 175.116 -1.391 19945 8802 1 9 . 1 1 142 142 LEU CA C 142 55.704 55.704 53.213 2.491 19945 8803 1 9 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.052 -1.313 19945 8804 1 9 . 1 1 142 142 LEU H H 142 7.423 7.423 7.752 -0.329 19945 8805 1 9 . 1 1 143 143 ALA N N 143 128.382 128.382 130.485 -2.103 19945 8806 1 9 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.385 0.089 19945 8807 1 9 . 1 1 143 143 ALA C C 143 175.685 175.685 177.257 -1.572 19945 8808 1 9 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.715 -1.084 19945 8809 1 9 . 1 1 143 143 ALA CB C 143 19.847 19.847 18.679 1.168 19945 8810 1 9 . 1 1 143 143 ALA H H 143 5.414 5.414 7.670 -2.256 19945 8811 1 9 . 1 1 144 144 ILE N N 144 126.754 126.754 119.479 7.275 19945 8812 1 9 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.046 0.269 19945 8813 1 9 . 1 1 144 144 ILE C C 144 173.725 173.725 175.326 -1.601 19945 8814 1 9 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.081 -4.361 19945 8815 1 9 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.588 -0.958 19945 8816 1 9 . 1 1 144 144 ILE H H 144 8.849 8.849 8.472 0.377 19945 8817 1 9 . 1 1 145 145 ASP N N 145 125.518 125.518 120.315 5.203 19945 8818 1 9 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.433 1.363 19945 8819 1 9 . 1 1 145 145 ASP C C 145 176.830 176.830 175.299 1.531 19945 8820 1 9 . 1 1 145 145 ASP CA C 145 52.553 52.553 55.673 -3.120 19945 8821 1 9 . 1 1 145 145 ASP CB C 145 43.502 43.502 41.568 1.934 19945 8822 1 9 . 1 1 145 145 ASP H H 145 8.088 8.088 8.615 -0.527 19945 8823 1 9 . 1 1 146 146 GLU N N 146 125.475 125.475 120.742 4.733 19945 8824 1 9 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.491 0.172 19945 8825 1 9 . 1 1 146 146 GLU C C 146 177.132 177.132 174.715 2.417 19945 8826 1 9 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.794 -0.521 19945 8827 1 9 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.039 0.211 19945 8828 1 9 . 1 1 146 146 GLU H H 146 8.390 8.390 8.442 -0.052 19945 8829 1 9 . 1 1 147 147 ASP N N 147 120.137 120.137 119.324 0.813 19945 8830 1 9 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.731 -0.164 19945 8831 1 9 . 1 1 147 147 ASP C C 147 178.126 178.126 174.839 3.287 19945 8832 1 9 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.091 3.910 19945 8833 1 9 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.349 0.901 19945 8834 1 9 . 1 1 147 147 ASP H H 147 8.599 8.599 7.803 0.796 19945 8835 1 9 . 1 1 148 148 ARG N N 148 115.655 115.655 125.478 -9.823 19945 8836 1 9 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.786 0.912 19945 8837 1 9 . 1 1 148 148 ARG C C 148 177.704 177.704 175.505 2.199 19945 8838 1 9 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.940 -3.980 19945 8839 1 9 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.453 2.361 19945 8840 1 9 . 1 1 148 148 ARG H H 148 9.762 9.762 8.981 0.781 19945 8841 1 9 . 1 1 149 149 GLN N N 149 116.313 116.313 115.645 0.668 19945 8842 1 9 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.897 1.402 19945 8843 1 9 . 1 1 149 149 GLN C C 149 175.142 175.142 173.992 1.150 19945 8844 1 9 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.216 -2.815 19945 8845 1 9 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.996 2.845 19945 8846 1 9 . 1 1 149 149 GLN H H 149 7.622 7.622 8.340 -0.718 19945 8847 1 9 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.482 0.199 19945 8848 1 9 . 1 1 150 150 PRO C C 150 179.483 179.483 176.596 2.887 19945 8849 1 9 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.777 2.549 19945 8850 1 9 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.246 -1.594 19945 8851 1 9 . 1 1 151 151 GLU N N 151 122.981 122.981 120.267 2.714 19945 8852 1 9 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.450 -0.049 19945 8853 1 9 . 1 1 151 151 GLU C C 151 177.041 177.041 176.970 0.071 19945 8854 1 9 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.972 1.426 19945 8855 1 9 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.032 -2.450 19945 8856 1 9 . 1 1 151 151 GLU H H 151 10.520 10.520 8.661 1.859 19945 8857 1 9 . 1 1 152 152 LEU N N 152 120.119 120.119 120.833 -0.714 19945 8858 1 9 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.748 -0.057 19945 8859 1 9 . 1 1 152 152 LEU C C 152 177.222 177.222 177.237 -0.015 19945 8860 1 9 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.389 -0.080 19945 8861 1 9 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.979 -0.044 19945 8862 1 9 . 1 1 152 152 LEU H H 152 7.589 7.589 7.906 -0.317 19945 8863 1 9 . 1 1 153 153 THR N N 153 119.637 119.637 117.267 2.370 19945 8864 1 9 . 1 1 153 153 THR HA H 153 3.592 3.592 3.909 -0.317 19945 8865 1 9 . 1 1 153 153 THR C C 153 174.178 174.178 175.893 -1.715 19945 8866 1 9 . 1 1 153 153 THR CA C 153 67.960 67.960 67.205 0.755 19945 8867 1 9 . 1 1 153 153 THR CB C 153 69.023 69.023 68.310 0.713 19945 8868 1 9 . 1 1 153 153 THR H H 153 7.469 7.469 8.052 -0.583 19945 8869 1 9 . 1 1 154 154 ALA N N 154 123.665 123.665 121.475 2.190 19945 8870 1 9 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.153 -0.265 19945 8871 1 9 . 1 1 154 154 ALA C C 154 180.417 180.417 179.577 0.840 19945 8872 1 9 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.424 2.114 19945 8873 1 9 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.376 -1.154 19945 8874 1 9 . 1 1 154 154 ALA H H 154 9.077 9.077 8.536 0.541 19945 8875 1 9 . 1 1 155 155 GLU N N 155 119.661 119.661 119.091 0.570 19945 8876 1 9 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.088 0.165 19945 8877 1 9 . 1 1 155 155 GLU C C 155 178.518 178.518 179.283 -0.765 19945 8878 1 9 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.244 -0.426 19945 8879 1 9 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.241 0.466 19945 8880 1 9 . 1 1 155 155 GLU H H 155 8.647 8.647 7.748 0.899 19945 8881 1 9 . 1 1 156 156 ARG N N 156 120.739 120.739 119.521 1.218 19945 8882 1 9 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.172 0.046 19945 8883 1 9 . 1 1 156 156 ARG C C 156 177.252 177.252 178.886 -1.634 19945 8884 1 9 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.446 1.023 19945 8885 1 9 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.396 0.627 19945 8886 1 9 . 1 1 156 156 ARG H H 156 8.129 8.129 8.410 -0.281 19945 8887 1 9 . 1 1 157 157 VAL N N 157 117.372 117.372 115.460 1.912 19945 8888 1 9 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.784 -0.465 19945 8889 1 9 . 1 1 157 157 VAL C C 157 177.192 177.192 177.650 -0.458 19945 8890 1 9 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.000 1.400 19945 8891 1 9 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.299 0.533 19945 8892 1 9 . 1 1 157 157 VAL H H 157 8.578 8.578 8.169 0.409 19945 8893 1 9 . 1 1 158 158 GLU N N 158 118.631 118.631 122.304 -3.673 19945 8894 1 9 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.367 -0.170 19945 8895 1 9 . 1 1 158 158 GLU C C 158 179.995 179.995 178.967 1.028 19945 8896 1 9 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.590 0.148 19945 8897 1 9 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.616 -0.438 19945 8898 1 9 . 1 1 158 158 GLU H H 158 8.046 8.046 7.461 0.585 19945 8899 1 9 . 1 1 159 159 LYS N N 159 118.860 118.860 120.231 -1.371 19945 8900 1 9 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.120 0.066 19945 8901 1 9 . 1 1 159 159 LYS C C 159 179.844 179.844 179.073 0.771 19945 8902 1 9 . 1 1 159 159 LYS CA C 159 59.995 59.995 60.153 -0.158 19945 8903 1 9 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.639 1.053 19945 8904 1 9 . 1 1 159 159 LYS H H 159 8.522 8.522 8.391 0.131 19945 8905 1 9 . 1 1 160 160 TRP N N 160 125.100 125.100 120.683 4.417 19945 8906 1 9 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.510 -0.140 19945 8907 1 9 . 1 1 160 160 TRP C C 160 178.006 178.006 177.740 0.266 19945 8908 1 9 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.874 0.940 19945 8909 1 9 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.480 -0.688 19945 8910 1 9 . 1 1 160 160 TRP H H 160 9.076 9.076 8.697 0.379 19945 8911 1 9 . 1 1 161 161 VAL N N 161 118.402 118.402 118.718 -0.316 19945 8912 1 9 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.198 0.172 19945 8913 1 9 . 1 1 161 161 VAL C C 161 179.392 179.392 178.437 0.955 19945 8914 1 9 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.610 0.394 19945 8915 1 9 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.183 -0.834 19945 8916 1 9 . 1 1 161 161 VAL H H 161 9.024 9.024 7.617 1.407 19945 8917 1 9 . 1 1 162 162 LYS N N 162 123.209 123.209 119.861 3.348 19945 8918 1 9 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.917 0.085 19945 8919 1 9 . 1 1 162 162 LYS C C 162 178.759 178.759 179.224 -0.465 19945 8920 1 9 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.862 0.510 19945 8921 1 9 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.180 0.184 19945 8922 1 9 . 1 1 162 162 LYS H H 162 7.820 7.820 8.275 -0.455 19945 8923 1 9 . 1 1 163 163 GLN N N 163 121.722 121.722 118.083 3.639 19945 8924 1 9 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.092 0.098 19945 8925 1 9 . 1 1 163 163 GLN C C 163 179.935 179.935 178.872 1.063 19945 8926 1 9 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.395 1.331 19945 8927 1 9 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.829 0.193 19945 8928 1 9 . 1 1 163 163 GLN H H 163 8.126 8.126 7.864 0.262 19945 8929 1 9 . 1 1 164 164 ILE N N 164 114.390 114.390 116.517 -2.127 19945 8930 1 9 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.753 0.237 19945 8931 1 9 . 1 1 164 164 ILE C C 164 178.156 178.156 177.504 0.652 19945 8932 1 9 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.036 1.140 19945 8933 1 9 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.946 0.732 19945 8934 1 9 . 1 1 164 164 ILE H H 164 9.110 9.110 8.214 0.896 19945 8935 1 9 . 1 1 165 165 SER N N 165 119.660 119.660 116.939 2.721 19945 8936 1 9 . 1 1 165 165 SER HA H 165 3.976 3.976 3.993 -0.017 19945 8937 1 9 . 1 1 165 165 SER C C 165 176.438 176.438 176.062 0.376 19945 8938 1 9 . 1 1 165 165 SER CA C 165 63.180 63.180 62.768 0.412 19945 8939 1 9 . 1 1 165 165 SER CB C 165 62.383 62.383 62.615 -0.232 19945 8940 1 9 . 1 1 165 165 SER H H 165 8.278 8.278 8.421 -0.143 19945 8941 1 9 . 1 1 166 166 GLU N N 166 122.290 122.290 118.056 4.234 19945 8942 1 9 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.229 -0.019 19945 8943 1 9 . 1 1 166 166 GLU C C 166 179.965 179.965 176.916 3.049 19945 8944 1 9 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.365 1.830 19945 8945 1 9 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.285 -0.041 19945 8946 1 9 . 1 1 166 166 GLU H H 166 7.345 7.345 7.732 -0.387 19945 8947 1 9 . 1 1 167 167 GLU N N 167 120.787 120.787 118.791 1.996 19945 8948 1 9 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.073 -0.134 19945 8949 1 9 . 1 1 167 167 GLU C C 167 178.518 178.518 177.640 0.878 19945 8950 1 9 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.331 1.669 19945 8951 1 9 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.488 0.312 19945 8952 1 9 . 1 1 167 167 GLU H H 167 8.413 8.413 7.602 0.811 19945 8953 1 9 . 1 1 168 168 LEU N N 168 115.420 115.420 117.044 -1.624 19945 8954 1 9 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.257 -0.120 19945 8955 1 9 . 1 1 168 168 LEU C C 168 175.896 175.896 176.699 -0.803 19945 8956 1 9 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.222 -0.442 19945 8957 1 9 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.487 0.813 19945 8958 1 9 . 1 1 168 168 LEU H H 168 8.553 8.553 8.043 0.510 19945 8959 1 9 . 1 1 169 169 HIS N N 169 113.347 113.347 112.953 0.394 19945 8960 1 9 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.350 0.001 19945 8961 1 9 . 1 1 169 169 HIS C C 169 175.835 175.835 175.433 0.402 19945 8962 1 9 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.059 -0.786 19945 8963 1 9 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.505 -0.783 19945 8964 1 9 . 1 1 169 169 HIS H H 169 7.550 7.550 7.926 -0.376 19945 8965 1 9 . 1 1 170 170 LEU N N 170 117.250 117.250 117.285 -0.035 19945 8966 1 9 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.208 -0.205 19945 8967 1 9 . 1 1 170 170 LEU C C 170 178.096 178.096 177.641 0.455 19945 8968 1 9 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.380 1.588 19945 8969 1 9 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.769 0.090 19945 8970 1 9 . 1 1 170 170 LEU H H 170 8.069 8.069 7.833 0.236 19945 8971 1 9 . 1 1 171 171 ASP N N 171 117.300 117.300 120.795 -3.495 19945 8972 1 9 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.178 0.157 19945 8973 1 9 . 1 1 171 171 ASP C C 171 177.915 177.915 177.818 0.097 19945 8974 1 9 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.159 -1.469 19945 8975 1 9 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.791 -0.731 19945 8976 1 9 . 1 1 171 171 ASP H H 171 8.732 8.732 8.173 0.559 19945 8977 1 9 . 1 1 172 172 GLU N N 172 119.203 119.203 116.094 3.109 19945 8978 1 9 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.173 0.054 19945 8979 1 9 . 1 1 172 172 GLU C C 172 178.277 178.277 177.218 1.059 19945 8980 1 9 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.539 -0.408 19945 8981 1 9 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.214 0.786 19945 8982 1 9 . 1 1 172 172 GLU H H 172 7.804 7.804 8.771 -0.967 19945 8983 1 9 . 1 1 173 173 ILE N N 173 119.519 119.519 117.075 2.444 19945 8984 1 9 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.128 -0.075 19945 8985 1 9 . 1 1 173 173 ILE C C 173 178.006 178.006 178.180 -0.174 19945 8986 1 9 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.250 0.350 19945 8987 1 9 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.315 -0.315 19945 8988 1 9 . 1 1 173 173 ILE H H 173 7.787 7.787 7.618 0.169 19945 8989 1 9 . 1 1 174 174 LEU N N 174 121.260 121.260 117.969 3.291 19945 8990 1 9 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.302 -0.016 19945 8991 1 9 . 1 1 174 174 LEU C C 174 177.704 177.704 177.423 0.281 19945 8992 1 9 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.327 -1.054 19945 8993 1 9 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.485 -0.026 19945 8994 1 9 . 1 1 174 174 LEU H H 174 8.241 8.241 8.427 -0.186 19945 8995 1 9 . 1 1 175 175 ASN N N 175 118.280 118.280 117.625 0.655 19945 8996 1 9 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.824 0.005 19945 8997 1 9 . 1 1 175 175 ASN C C 175 173.846 173.846 174.899 -1.053 19945 8998 1 9 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.667 1.555 19945 8999 1 9 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.272 -0.001 19945 9000 1 9 . 1 1 175 175 ASN H H 175 7.883 7.883 8.034 -0.151 19945 9001 1 10 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.776 -0.524 19945 9002 1 10 . 1 1 2 2 ALA C C 2 174.479 174.479 178.194 -3.715 19945 9003 1 10 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.568 1.900 19945 9004 1 10 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.258 -1.091 19945 9005 1 10 . 1 1 3 3 ILE N N 3 116.571 116.571 115.138 1.433 19945 9006 1 10 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.380 0.165 19945 9007 1 10 . 1 1 3 3 ILE C C 3 175.806 175.806 175.912 -0.106 19945 9008 1 10 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.055 1.140 19945 9009 1 10 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.640 0.770 19945 9010 1 10 . 1 1 3 3 ILE H H 3 8.456 8.456 8.206 0.250 19945 9011 1 10 . 1 1 4 4 THR N N 4 115.734 115.734 118.809 -3.075 19945 9012 1 10 . 1 1 4 4 THR HA H 4 5.124 5.124 5.193 -0.069 19945 9013 1 10 . 1 1 4 4 THR C C 4 172.410 172.410 173.723 -1.313 19945 9014 1 10 . 1 1 4 4 THR CA C 4 61.724 61.724 61.839 -0.115 19945 9015 1 10 . 1 1 4 4 THR CB C 4 70.059 70.059 70.229 -0.170 19945 9016 1 10 . 1 1 4 4 THR H H 4 8.244 8.244 8.218 0.026 19945 9017 1 10 . 1 1 5 5 GLY N N 5 116.016 116.016 112.714 3.302 19945 9018 1 10 . 1 1 5 5 GLY C C 5 171.077 171.077 172.303 -1.226 19945 9019 1 10 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.222 0.286 19945 9020 1 10 . 1 1 5 5 GLY H H 5 8.554 8.554 8.943 -0.389 19945 9021 1 10 . 1 1 6 6 ILE N N 6 126.504 126.504 126.877 -0.373 19945 9022 1 10 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.875 0.576 19945 9023 1 10 . 1 1 6 6 ILE C C 6 175.245 175.245 174.904 0.341 19945 9024 1 10 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.596 -0.678 19945 9025 1 10 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.954 0.254 19945 9026 1 10 . 1 1 6 6 ILE H H 6 8.719 8.719 8.981 -0.262 19945 9027 1 10 . 1 1 7 7 PHE N N 7 127.559 127.559 126.880 0.679 19945 9028 1 10 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.076 0.537 19945 9029 1 10 . 1 1 7 7 PHE C C 7 174.634 174.634 175.307 -0.673 19945 9030 1 10 . 1 1 7 7 PHE CA C 7 55.663 55.663 57.011 -1.348 19945 9031 1 10 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.129 1.559 19945 9032 1 10 . 1 1 7 7 PHE H H 7 9.609 9.609 9.453 0.156 19945 9033 1 10 . 1 1 8 8 PHE N N 8 120.006 120.006 120.707 -0.701 19945 9034 1 10 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.436 0.788 19945 9035 1 10 . 1 1 8 8 PHE C C 8 171.212 171.212 174.353 -3.141 19945 9036 1 10 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.172 -0.492 19945 9037 1 10 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.147 1.374 19945 9038 1 10 . 1 1 8 8 PHE H H 8 8.545 8.545 8.876 -0.331 19945 9039 1 10 . 1 1 9 9 GLY N N 9 109.650 109.650 109.684 -0.034 19945 9040 1 10 . 1 1 9 9 GLY C C 9 172.512 172.512 172.586 -0.074 19945 9041 1 10 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.328 0.990 19945 9042 1 10 . 1 1 9 9 GLY H H 9 7.701 7.701 7.958 -0.257 19945 9043 1 10 . 1 1 10 10 SER N N 10 115.953 115.953 116.365 -0.412 19945 9044 1 10 . 1 1 10 10 SER HA H 10 5.001 5.001 4.745 0.256 19945 9045 1 10 . 1 1 10 10 SER C C 10 173.439 173.439 172.849 0.590 19945 9046 1 10 . 1 1 10 10 SER CA C 10 58.308 58.308 57.829 0.479 19945 9047 1 10 . 1 1 10 10 SER CB C 10 66.423 66.423 65.893 0.530 19945 9048 1 10 . 1 1 10 10 SER H H 10 8.634 8.634 8.067 0.567 19945 9049 1 10 . 1 1 11 11 ASP N N 11 104.000 104.000 119.676 -15.676 19945 9050 1 10 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.644 0.330 19945 9051 1 10 . 1 1 11 11 ASP C C 11 179.108 179.108 177.425 1.683 19945 9052 1 10 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.483 0.066 19945 9053 1 10 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.589 -1.488 19945 9054 1 10 . 1 1 11 11 ASP H H 11 11.201 11.201 8.940 2.261 19945 9055 1 10 . 1 1 12 12 THR N N 12 112.000 112.000 113.157 -1.157 19945 9056 1 10 . 1 1 12 12 THR HA H 12 4.804 4.804 4.491 0.313 19945 9057 1 10 . 1 1 12 12 THR C C 12 175.080 175.080 176.280 -1.200 19945 9058 1 10 . 1 1 12 12 THR CA C 12 60.237 60.237 62.108 -1.871 19945 9059 1 10 . 1 1 12 12 THR CB C 12 68.567 68.567 69.176 -0.609 19945 9060 1 10 . 1 1 12 12 THR H H 12 9.311 9.311 8.256 1.055 19945 9061 1 10 . 1 1 13 13 GLY N N 13 112.221 112.221 111.386 0.835 19945 9062 1 10 . 1 1 13 13 GLY C C 13 176.690 176.690 174.757 1.933 19945 9063 1 10 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.306 0.994 19945 9064 1 10 . 1 1 13 13 GLY H H 13 8.000 8.000 8.253 -0.253 19945 9065 1 10 . 1 1 14 14 ASN N N 14 128.520 128.520 118.618 9.902 19945 9066 1 10 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.518 0.108 19945 9067 1 10 . 1 1 14 14 ASN C C 14 178.888 178.888 177.068 1.820 19945 9068 1 10 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.579 1.485 19945 9069 1 10 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.884 -2.050 19945 9070 1 10 . 1 1 14 14 ASN H H 14 11.112 11.112 7.919 3.193 19945 9071 1 10 . 1 1 15 15 THR N N 15 122.550 122.550 113.000 9.550 19945 9072 1 10 . 1 1 15 15 THR HA H 15 4.369 4.369 4.002 0.367 19945 9073 1 10 . 1 1 15 15 THR C C 15 176.786 176.786 175.579 1.207 19945 9074 1 10 . 1 1 15 15 THR CA C 15 67.325 67.325 65.281 2.044 19945 9075 1 10 . 1 1 15 15 THR CB C 15 67.961 67.961 68.438 -0.477 19945 9076 1 10 . 1 1 15 15 THR H H 15 11.327 11.327 7.818 3.509 19945 9077 1 10 . 1 1 16 16 GLU N N 16 120.578 120.578 121.852 -1.274 19945 9078 1 10 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.443 -0.156 19945 9079 1 10 . 1 1 16 16 GLU C C 16 176.642 176.642 177.765 -1.123 19945 9080 1 10 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.115 -0.046 19945 9081 1 10 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.047 -0.670 19945 9082 1 10 . 1 1 16 16 GLU H H 16 6.590 6.590 8.408 -1.818 19945 9083 1 10 . 1 1 17 17 ASN N N 17 118.000 118.000 117.829 0.171 19945 9084 1 10 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.447 -0.137 19945 9085 1 10 . 1 1 17 17 ASN C C 17 178.255 178.255 177.700 0.555 19945 9086 1 10 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.759 0.542 19945 9087 1 10 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.980 -0.342 19945 9088 1 10 . 1 1 17 17 ASN H H 17 7.705 7.705 7.565 0.140 19945 9089 1 10 . 1 1 18 18 ILE N N 18 119.430 119.430 120.139 -0.709 19945 9090 1 10 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.638 0.014 19945 9091 1 10 . 1 1 18 18 ILE C C 18 177.564 177.564 177.632 -0.068 19945 9092 1 10 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.158 -0.658 19945 9093 1 10 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.416 -1.865 19945 9094 1 10 . 1 1 18 18 ILE H H 18 8.141 8.141 7.209 0.932 19945 9095 1 10 . 1 1 19 19 ALA N N 19 123.208 123.208 122.506 0.702 19945 9096 1 10 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.858 -0.189 19945 9097 1 10 . 1 1 19 19 ALA C C 19 178.888 178.888 179.610 -0.722 19945 9098 1 10 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.495 0.160 19945 9099 1 10 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.041 0.774 19945 9100 1 10 . 1 1 19 19 ALA H H 19 8.304 8.304 8.335 -0.031 19945 9101 1 10 . 1 1 20 20 LYS N N 20 116.460 116.460 119.078 -2.618 19945 9102 1 10 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.998 -0.182 19945 9103 1 10 . 1 1 20 20 LYS C C 20 179.666 179.666 179.081 0.585 19945 9104 1 10 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.491 0.331 19945 9105 1 10 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.354 -0.256 19945 9106 1 10 . 1 1 20 20 LYS H H 20 7.722 7.722 8.092 -0.370 19945 9107 1 10 . 1 1 21 21 MET N N 21 123.880 123.880 118.517 5.363 19945 9108 1 10 . 1 1 21 21 MET HA H 21 3.946 3.946 4.109 -0.163 19945 9109 1 10 . 1 1 21 21 MET C C 21 179.435 179.435 178.838 0.597 19945 9110 1 10 . 1 1 21 21 MET CA C 21 59.662 59.662 58.976 0.686 19945 9111 1 10 . 1 1 21 21 MET CB C 21 34.262 34.262 32.628 1.634 19945 9112 1 10 . 1 1 21 21 MET H H 21 8.336 8.336 8.118 0.218 19945 9113 1 10 . 1 1 22 22 ILE N N 22 122.065 122.065 121.229 0.836 19945 9114 1 10 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.546 -0.301 19945 9115 1 10 . 1 1 22 22 ILE C C 22 177.592 177.592 177.661 -0.069 19945 9116 1 10 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.641 0.083 19945 9117 1 10 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.620 0.057 19945 9118 1 10 . 1 1 22 22 ILE H H 22 8.500 8.500 8.115 0.385 19945 9119 1 10 . 1 1 23 23 GLN N N 23 119.264 119.264 119.960 -0.696 19945 9120 1 10 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.847 -0.403 19945 9121 1 10 . 1 1 23 23 GLN C C 23 177.017 177.017 178.114 -1.097 19945 9122 1 10 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.468 0.223 19945 9123 1 10 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.744 -0.896 19945 9124 1 10 . 1 1 23 23 GLN H H 23 7.985 7.985 8.445 -0.460 19945 9125 1 10 . 1 1 24 24 LYS N N 24 118.970 118.970 119.057 -0.087 19945 9126 1 10 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.978 -0.058 19945 9127 1 10 . 1 1 24 24 LYS C C 24 178.427 178.427 179.207 -0.780 19945 9128 1 10 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.881 0.279 19945 9129 1 10 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.072 0.292 19945 9130 1 10 . 1 1 24 24 LYS H H 24 7.942 7.942 8.330 -0.388 19945 9131 1 10 . 1 1 25 25 GLN N N 25 118.400 118.400 117.067 1.333 19945 9132 1 10 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.081 -0.078 19945 9133 1 10 . 1 1 25 25 GLN C C 25 178.226 178.226 177.621 0.605 19945 9134 1 10 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.026 0.057 19945 9135 1 10 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.903 0.007 19945 9136 1 10 . 1 1 25 25 GLN H H 25 7.636 7.636 7.528 0.108 19945 9137 1 10 . 1 1 26 26 LEU N N 26 119.080 119.080 117.253 1.827 19945 9138 1 10 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.121 -0.102 19945 9139 1 10 . 1 1 26 26 LEU C C 26 177.247 177.247 176.730 0.517 19945 9140 1 10 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.008 1.061 19945 9141 1 10 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.064 0.085 19945 9142 1 10 . 1 1 26 26 LEU H H 26 8.098 8.098 7.689 0.409 19945 9143 1 10 . 1 1 27 27 GLY N N 27 107.750 107.750 104.142 3.608 19945 9144 1 10 . 1 1 27 27 GLY C C 27 175.231 175.231 174.723 0.508 19945 9145 1 10 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.532 -0.472 19945 9146 1 10 . 1 1 27 27 GLY H H 27 8.050 8.050 7.752 0.298 19945 9147 1 10 . 1 1 28 28 LYS N N 28 125.187 125.187 122.690 2.497 19945 9148 1 10 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.222 0.001 19945 9149 1 10 . 1 1 28 28 LYS C C 28 176.372 176.372 177.042 -0.670 19945 9150 1 10 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.067 0.862 19945 9151 1 10 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.476 -0.378 19945 9152 1 10 . 1 1 28 28 LYS H H 28 8.786 8.786 8.577 0.209 19945 9153 1 10 . 1 1 29 29 ASP N N 29 115.960 115.960 116.912 -0.952 19945 9154 1 10 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.497 0.078 19945 9155 1 10 . 1 1 29 29 ASP C C 29 176.437 176.437 177.371 -0.934 19945 9156 1 10 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.342 -1.132 19945 9157 1 10 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.819 -1.016 19945 9158 1 10 . 1 1 29 29 ASP H H 29 8.919 8.919 8.310 0.609 19945 9159 1 10 . 1 1 30 30 VAL N N 30 120.609 120.609 117.932 2.677 19945 9160 1 10 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.010 0.046 19945 9161 1 10 . 1 1 30 30 VAL C C 30 174.656 174.656 175.086 -0.430 19945 9162 1 10 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.276 0.444 19945 9163 1 10 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.340 0.498 19945 9164 1 10 . 1 1 30 30 VAL H H 30 7.573 7.573 7.481 0.092 19945 9165 1 10 . 1 1 31 31 ALA N N 31 123.100 123.100 119.804 3.296 19945 9166 1 10 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.210 0.321 19945 9167 1 10 . 1 1 31 31 ALA C C 31 175.174 175.174 174.751 0.423 19945 9168 1 10 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.631 -0.469 19945 9169 1 10 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.792 0.539 19945 9170 1 10 . 1 1 31 31 ALA H H 31 7.951 7.951 8.146 -0.195 19945 9171 1 10 . 1 1 32 32 ASP N N 32 121.576 121.576 120.093 1.483 19945 9172 1 10 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.986 -0.117 19945 9173 1 10 . 1 1 32 32 ASP C C 32 174.771 174.771 174.662 0.109 19945 9174 1 10 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.985 0.427 19945 9175 1 10 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.008 -1.221 19945 9176 1 10 . 1 1 32 32 ASP H H 32 8.175 8.175 8.601 -0.426 19945 9177 1 10 . 1 1 33 33 VAL N N 33 120.428 120.428 123.695 -3.267 19945 9178 1 10 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.627 0.030 19945 9179 1 10 . 1 1 33 33 VAL C C 33 174.252 174.252 175.176 -0.924 19945 9180 1 10 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.597 -1.294 19945 9181 1 10 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.861 1.016 19945 9182 1 10 . 1 1 33 33 VAL H H 33 8.397 8.397 8.324 0.073 19945 9183 1 10 . 1 1 34 34 HIS N N 34 125.285 125.285 125.975 -0.690 19945 9184 1 10 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.856 -0.303 19945 9185 1 10 . 1 1 34 34 HIS C C 34 171.920 171.920 172.382 -0.462 19945 9186 1 10 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.967 -1.395 19945 9187 1 10 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.161 -0.741 19945 9188 1 10 . 1 1 34 34 HIS H H 34 8.945 8.945 9.244 -0.299 19945 9189 1 10 . 1 1 35 35 ASP N N 35 124.120 124.120 120.270 3.850 19945 9190 1 10 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.879 -1.582 19945 9191 1 10 . 1 1 35 35 ASP C C 35 179.780 179.780 176.270 3.510 19945 9192 1 10 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.960 -1.204 19945 9193 1 10 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.567 -1.171 19945 9194 1 10 . 1 1 35 35 ASP H H 35 8.589 8.589 8.930 -0.341 19945 9195 1 10 . 1 1 36 36 ILE N N 36 106.681 106.681 127.080 -20.399 19945 9196 1 10 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.370 0.184 19945 9197 1 10 . 1 1 36 36 ILE C C 36 175.404 175.404 177.035 -1.631 19945 9198 1 10 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.564 -3.214 19945 9199 1 10 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.164 2.107 19945 9200 1 10 . 1 1 36 36 ILE H H 36 9.705 9.705 8.856 0.849 19945 9201 1 10 . 1 1 37 37 ALA N N 37 123.095 123.095 122.557 0.538 19945 9202 1 10 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.019 0.070 19945 9203 1 10 . 1 1 37 37 ALA C C 37 178.140 178.140 178.337 -0.197 19945 9204 1 10 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.503 -0.887 19945 9205 1 10 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.491 0.855 19945 9206 1 10 . 1 1 37 37 ALA H H 37 8.261 8.261 8.131 0.130 19945 9207 1 10 . 1 1 38 38 LYS N N 38 115.312 115.312 116.041 -0.729 19945 9208 1 10 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.321 0.290 19945 9209 1 10 . 1 1 38 38 LYS C C 38 176.498 176.498 176.865 -0.367 19945 9210 1 10 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.615 -2.469 19945 9211 1 10 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.146 0.280 19945 9212 1 10 . 1 1 38 38 LYS H H 38 7.437 7.437 7.797 -0.360 19945 9213 1 10 . 1 1 39 39 SER N N 39 115.623 115.623 116.535 -0.912 19945 9214 1 10 . 1 1 39 39 SER HA H 39 5.019 5.019 4.591 0.428 19945 9215 1 10 . 1 1 39 39 SER C C 39 171.402 171.402 173.475 -2.073 19945 9216 1 10 . 1 1 39 39 SER CA C 39 58.929 58.929 59.260 -0.331 19945 9217 1 10 . 1 1 39 39 SER CB C 39 65.538 65.538 63.874 1.664 19945 9218 1 10 . 1 1 39 39 SER H H 39 7.051 7.051 7.619 -0.568 19945 9219 1 10 . 1 1 40 40 SER N N 40 118.860 118.860 114.382 4.478 19945 9220 1 10 . 1 1 40 40 SER HA H 40 5.025 5.025 4.922 0.103 19945 9221 1 10 . 1 1 40 40 SER C C 40 174.741 174.741 174.512 0.229 19945 9222 1 10 . 1 1 40 40 SER CA C 40 56.003 56.003 57.624 -1.621 19945 9223 1 10 . 1 1 40 40 SER CB C 40 67.416 67.416 65.838 1.579 19945 9224 1 10 . 1 1 40 40 SER H H 40 9.377 9.377 8.059 1.318 19945 9225 1 10 . 1 1 41 41 LYS N N 41 122.504 122.504 123.313 -0.809 19945 9226 1 10 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.978 -0.240 19945 9227 1 10 . 1 1 41 41 LYS C C 41 177.391 177.391 177.948 -0.557 19945 9228 1 10 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.242 1.731 19945 9229 1 10 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.315 0.992 19945 9230 1 10 . 1 1 41 41 LYS H H 41 9.098 9.098 8.775 0.323 19945 9231 1 10 . 1 1 42 42 GLU N N 42 115.836 115.836 115.310 0.526 19945 9232 1 10 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.172 -0.044 19945 9233 1 10 . 1 1 42 42 GLU C C 42 178.773 178.773 178.022 0.751 19945 9234 1 10 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.967 2.025 19945 9235 1 10 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.270 -0.626 19945 9236 1 10 . 1 1 42 42 GLU H H 42 8.839 8.839 8.532 0.307 19945 9237 1 10 . 1 1 43 43 ASP N N 43 119.589 119.589 121.027 -1.438 19945 9238 1 10 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.576 -0.090 19945 9239 1 10 . 1 1 43 43 ASP C C 43 177.564 177.564 178.565 -1.001 19945 9240 1 10 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.917 0.684 19945 9241 1 10 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.119 -0.313 19945 9242 1 10 . 1 1 43 43 ASP H H 43 7.794 7.794 7.908 -0.114 19945 9243 1 10 . 1 1 44 44 LEU N N 44 118.745 118.745 119.967 -1.222 19945 9244 1 10 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.548 -0.577 19945 9245 1 10 . 1 1 44 44 LEU C C 44 178.600 178.600 179.051 -0.451 19945 9246 1 10 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.825 2.058 19945 9247 1 10 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.184 0.540 19945 9248 1 10 . 1 1 44 44 LEU H H 44 6.854 6.854 7.674 -0.820 19945 9249 1 10 . 1 1 45 45 GLU N N 45 114.280 114.280 117.828 -3.548 19945 9250 1 10 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.056 -0.429 19945 9251 1 10 . 1 1 45 45 GLU C C 45 176.988 176.988 177.375 -0.387 19945 9252 1 10 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.486 0.190 19945 9253 1 10 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.056 1.182 19945 9254 1 10 . 1 1 45 45 GLU H H 45 7.571 7.571 8.023 -0.452 19945 9255 1 10 . 1 1 46 46 ALA N N 46 118.860 118.860 120.437 -1.577 19945 9256 1 10 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.167 -0.129 19945 9257 1 10 . 1 1 46 46 ALA C C 46 176.901 176.901 177.958 -1.057 19945 9258 1 10 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.129 0.190 19945 9259 1 10 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.244 -0.163 19945 9260 1 10 . 1 1 46 46 ALA H H 46 7.026 7.026 7.429 -0.403 19945 9261 1 10 . 1 1 47 47 TYR N N 47 115.674 115.674 116.641 -0.967 19945 9262 1 10 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.480 0.251 19945 9263 1 10 . 1 1 47 47 TYR C C 47 175.807 175.807 175.393 0.414 19945 9264 1 10 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.428 -1.821 19945 9265 1 10 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.717 1.946 19945 9266 1 10 . 1 1 47 47 TYR H H 47 7.277 7.277 7.504 -0.227 19945 9267 1 10 . 1 1 48 48 ASP N N 48 121.598 121.598 119.461 2.137 19945 9268 1 10 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.915 -0.007 19945 9269 1 10 . 1 1 48 48 ASP C C 48 175.030 175.030 175.734 -0.704 19945 9270 1 10 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.624 0.584 19945 9271 1 10 . 1 1 48 48 ASP CB C 48 41.646 41.646 43.480 -1.834 19945 9272 1 10 . 1 1 48 48 ASP H H 48 9.546 9.546 8.820 0.726 19945 9273 1 10 . 1 1 49 49 ILE N N 49 119.608 119.608 120.203 -0.595 19945 9274 1 10 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.022 0.272 19945 9275 1 10 . 1 1 49 49 ILE C C 49 175.059 175.059 174.380 0.679 19945 9276 1 10 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.317 0.213 19945 9277 1 10 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.943 -0.875 19945 9278 1 10 . 1 1 49 49 ILE H H 49 7.331 7.331 8.262 -0.931 19945 9279 1 10 . 1 1 50 50 LEU N N 50 127.901 127.901 127.182 0.719 19945 9280 1 10 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.183 0.477 19945 9281 1 10 . 1 1 50 50 LEU C C 50 174.598 174.598 175.093 -0.495 19945 9282 1 10 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.484 -0.665 19945 9283 1 10 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.168 4.869 19945 9284 1 10 . 1 1 50 50 LEU H H 50 9.095 9.095 9.065 0.030 19945 9285 1 10 . 1 1 51 51 LEU N N 51 123.440 123.440 126.156 -2.716 19945 9286 1 10 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.299 0.733 19945 9287 1 10 . 1 1 51 51 LEU C C 51 175.894 175.894 175.345 0.549 19945 9288 1 10 . 1 1 51 51 LEU CA C 51 53.311 53.311 53.808 -0.497 19945 9289 1 10 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.061 1.257 19945 9290 1 10 . 1 1 51 51 LEU H H 51 9.275 9.275 9.395 -0.120 19945 9291 1 10 . 1 1 52 52 LEU N N 52 123.320 123.320 125.463 -2.143 19945 9292 1 10 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.207 0.449 19945 9293 1 10 . 1 1 52 52 LEU C C 52 173.763 173.763 175.939 -2.176 19945 9294 1 10 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.569 -0.692 19945 9295 1 10 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.710 -2.224 19945 9296 1 10 . 1 1 52 52 LEU H H 52 9.024 9.024 9.206 -0.182 19945 9297 1 10 . 1 1 53 53 GLY N N 53 110.739 110.739 112.499 -1.760 19945 9298 1 10 . 1 1 53 53 GLY C C 53 174.530 174.530 171.729 2.801 19945 9299 1 10 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.405 -0.416 19945 9300 1 10 . 1 1 53 53 GLY H H 53 9.283 9.283 9.347 -0.064 19945 9301 1 10 . 1 1 54 54 ILE N N 54 126.032 126.032 125.618 0.414 19945 9302 1 10 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.140 1.066 19945 9303 1 10 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.247 -0.240 19945 9304 1 10 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.173 1.817 19945 9305 1 10 . 1 1 54 54 ILE H H 54 9.136 9.136 8.595 0.541 19945 9306 1 10 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.745 0.572 19945 9307 1 10 . 1 1 55 55 PRO C C 55 174.771 174.771 176.577 -1.806 19945 9308 1 10 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.913 -0.165 19945 9309 1 10 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.937 0.077 19945 9310 1 10 . 1 1 56 56 THR N N 56 113.710 113.710 117.915 -4.205 19945 9311 1 10 . 1 1 56 56 THR HA H 56 4.582 4.582 4.774 -0.192 19945 9312 1 10 . 1 1 56 56 THR C C 56 171.719 171.719 174.037 -2.318 19945 9313 1 10 . 1 1 56 56 THR CA C 56 62.383 62.383 62.796 -0.413 19945 9314 1 10 . 1 1 56 56 THR CB C 56 69.692 69.692 70.046 -0.354 19945 9315 1 10 . 1 1 56 56 THR H H 56 6.599 6.599 7.687 -1.088 19945 9316 1 10 . 1 1 57 57 TRP N N 57 130.050 130.050 125.000 5.050 19945 9317 1 10 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.408 -1.782 19945 9318 1 10 . 1 1 57 57 TRP C C 57 172.611 172.611 175.014 -2.403 19945 9319 1 10 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.233 0.042 19945 9320 1 10 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.169 2.585 19945 9321 1 10 . 1 1 57 57 TRP H H 57 8.865 8.865 8.700 0.165 19945 9322 1 10 . 1 1 58 58 TYR N N 58 112.793 112.793 117.340 -4.547 19945 9323 1 10 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.986 0.230 19945 9324 1 10 . 1 1 58 58 TYR C C 58 173.619 173.619 174.622 -1.003 19945 9325 1 10 . 1 1 58 58 TYR CA C 58 59.200 59.200 57.954 1.246 19945 9326 1 10 . 1 1 58 58 TYR CB C 58 36.200 36.200 35.542 0.658 19945 9327 1 10 . 1 1 58 58 TYR H H 58 5.730 5.730 8.176 -2.446 19945 9328 1 10 . 1 1 59 59 TYR N N 59 112.220 112.220 113.393 -1.173 19945 9329 1 10 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.822 -0.427 19945 9330 1 10 . 1 1 59 59 TYR C C 59 175.865 175.865 174.852 1.013 19945 9331 1 10 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.378 2.082 19945 9332 1 10 . 1 1 59 59 TYR CB C 59 33.610 33.610 34.919 -1.308 19945 9333 1 10 . 1 1 59 59 TYR H H 59 7.661 7.661 7.602 0.059 19945 9334 1 10 . 1 1 60 60 GLY N N 60 104.550 104.550 107.050 -2.500 19945 9335 1 10 . 1 1 60 60 GLY C C 60 174.483 174.483 173.767 0.716 19945 9336 1 10 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.099 1.079 19945 9337 1 10 . 1 1 60 60 GLY H H 60 8.142 8.142 8.081 0.061 19945 9338 1 10 . 1 1 61 61 GLU N N 61 120.991 120.991 118.587 2.404 19945 9339 1 10 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.725 -0.287 19945 9340 1 10 . 1 1 61 61 GLU C C 61 175.548 175.548 174.573 0.975 19945 9341 1 10 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.781 0.695 19945 9342 1 10 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.722 -3.222 19945 9343 1 10 . 1 1 61 61 GLU H H 61 8.307 8.307 8.078 0.229 19945 9344 1 10 . 1 1 62 62 ALA N N 62 122.750 122.750 123.547 -0.797 19945 9345 1 10 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.651 -0.445 19945 9346 1 10 . 1 1 62 62 ALA C C 62 176.671 176.671 177.135 -0.464 19945 9347 1 10 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.514 0.296 19945 9348 1 10 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.216 0.990 19945 9349 1 10 . 1 1 62 62 ALA H H 62 8.722 8.722 8.575 0.147 19945 9350 1 10 . 1 1 63 63 GLN N N 63 120.579 120.579 118.565 2.014 19945 9351 1 10 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.075 -0.189 19945 9352 1 10 . 1 1 63 63 GLN C C 63 176.757 176.757 177.299 -0.542 19945 9353 1 10 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.491 2.118 19945 9354 1 10 . 1 1 63 63 GLN H H 63 6.302 6.302 8.558 -2.256 19945 9355 1 10 . 1 1 64 64 CYS N N 64 125.487 125.487 124.462 1.025 19945 9356 1 10 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.022 0.089 19945 9357 1 10 . 1 1 64 64 CYS C C 64 174.972 174.972 176.370 -1.398 19945 9358 1 10 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.853 -1.364 19945 9359 1 10 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.561 0.021 19945 9360 1 10 . 1 1 64 64 CYS H H 64 9.091 9.091 9.033 0.058 19945 9361 1 10 . 1 1 65 65 ASP N N 65 120.298 120.298 118.954 1.344 19945 9362 1 10 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.374 0.025 19945 9363 1 10 . 1 1 65 65 ASP C C 65 179.000 179.000 178.187 0.813 19945 9364 1 10 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.992 0.140 19945 9365 1 10 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.532 0.691 19945 9366 1 10 . 1 1 65 65 ASP H H 65 7.093 7.093 8.447 -1.354 19945 9367 1 10 . 1 1 66 66 TRP N N 66 122.608 122.608 120.575 2.033 19945 9368 1 10 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.092 0.124 19945 9369 1 10 . 1 1 66 66 TRP C C 66 176.930 176.930 177.534 -0.604 19945 9370 1 10 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.805 1.718 19945 9371 1 10 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.537 0.424 19945 9372 1 10 . 1 1 66 66 TRP H H 66 7.394 7.394 7.691 -0.297 19945 9373 1 10 . 1 1 67 67 ASP N N 67 118.860 118.860 118.864 -0.004 19945 9374 1 10 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.742 -0.217 19945 9375 1 10 . 1 1 67 67 ASP C C 67 179.579 179.579 177.691 1.888 19945 9376 1 10 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.802 0.539 19945 9377 1 10 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.596 1.804 19945 9378 1 10 . 1 1 67 67 ASP H H 67 8.087 8.087 7.977 0.110 19945 9379 1 10 . 1 1 68 68 ASP N N 68 116.220 116.220 118.408 -2.188 19945 9380 1 10 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.421 -0.065 19945 9381 1 10 . 1 1 68 68 ASP C C 68 176.873 176.873 176.919 -0.046 19945 9382 1 10 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.982 0.273 19945 9383 1 10 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.134 -0.327 19945 9384 1 10 . 1 1 68 68 ASP H H 68 8.056 8.056 8.067 -0.011 19945 9385 1 10 . 1 1 69 69 PHE N N 69 120.493 120.493 117.705 2.788 19945 9386 1 10 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.386 -0.023 19945 9387 1 10 . 1 1 69 69 PHE C C 69 177.103 177.103 176.105 0.998 19945 9388 1 10 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.054 -0.125 19945 9389 1 10 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.234 1.296 19945 9390 1 10 . 1 1 69 69 PHE H H 69 7.659 7.659 7.373 0.286 19945 9391 1 10 . 1 1 70 70 PHE N N 70 122.293 122.293 119.948 2.345 19945 9392 1 10 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.238 0.780 19945 9393 1 10 . 1 1 70 70 PHE C C 70 174.396 174.396 174.635 -0.239 19945 9394 1 10 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.382 -2.259 19945 9395 1 10 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.438 -0.683 19945 9396 1 10 . 1 1 70 70 PHE H H 70 8.197 8.197 8.095 0.102 19945 9397 1 10 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.289 0.109 19945 9398 1 10 . 1 1 71 71 PRO C C 71 179.118 179.118 177.546 1.572 19945 9399 1 10 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.092 1.275 19945 9400 1 10 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.110 -0.180 19945 9401 1 10 . 1 1 72 72 THR N N 72 114.461 114.461 113.421 1.040 19945 9402 1 10 . 1 1 72 72 THR HA H 72 3.816 3.816 3.956 -0.140 19945 9403 1 10 . 1 1 72 72 THR C C 72 176.498 176.498 175.835 0.663 19945 9404 1 10 . 1 1 72 72 THR CA C 72 65.803 65.803 64.876 0.927 19945 9405 1 10 . 1 1 72 72 THR CB C 72 67.203 67.203 68.335 -1.132 19945 9406 1 10 . 1 1 72 72 THR H H 72 7.534 7.534 7.676 -0.142 19945 9407 1 10 . 1 1 73 73 LEU N N 73 124.812 124.812 122.292 2.520 19945 9408 1 10 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.114 -0.024 19945 9409 1 10 . 1 1 73 73 LEU C C 73 177.996 177.996 177.312 0.684 19945 9410 1 10 . 1 1 73 73 LEU CA C 73 58.151 58.151 57.672 0.479 19945 9411 1 10 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.221 1.565 19945 9412 1 10 . 1 1 73 73 LEU H H 73 8.123 8.123 7.979 0.144 19945 9413 1 10 . 1 1 74 74 GLU N N 74 111.877 111.877 114.537 -2.660 19945 9414 1 10 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.233 -0.408 19945 9415 1 10 . 1 1 74 74 GLU C C 74 176.930 176.930 176.968 -0.038 19945 9416 1 10 . 1 1 74 74 GLU CA C 74 57.675 57.675 57.604 0.071 19945 9417 1 10 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.390 0.631 19945 9418 1 10 . 1 1 74 74 GLU H H 74 7.933 7.933 7.640 0.293 19945 9419 1 10 . 1 1 75 75 GLU N N 75 116.571 116.571 118.534 -1.963 19945 9420 1 10 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.277 0.070 19945 9421 1 10 . 1 1 75 75 GLU C C 75 177.045 177.045 177.101 -0.056 19945 9422 1 10 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.919 -0.893 19945 9423 1 10 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.847 -0.338 19945 9424 1 10 . 1 1 75 75 GLU H H 75 7.659 7.659 7.751 -0.092 19945 9425 1 10 . 1 1 76 76 ILE N N 76 123.080 123.080 121.753 1.327 19945 9426 1 10 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.831 -0.054 19945 9427 1 10 . 1 1 76 76 ILE C C 76 174.656 174.656 174.757 -0.101 19945 9428 1 10 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.785 -0.710 19945 9429 1 10 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.041 0.964 19945 9430 1 10 . 1 1 76 76 ILE H H 76 7.468 7.468 7.729 -0.261 19945 9431 1 10 . 1 1 77 77 ASP N N 77 126.540 126.540 126.496 0.044 19945 9432 1 10 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.487 0.326 19945 9433 1 10 . 1 1 77 77 ASP C C 77 176.614 176.614 174.936 1.678 19945 9434 1 10 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.882 -0.741 19945 9435 1 10 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.152 -1.287 19945 9436 1 10 . 1 1 77 77 ASP H H 77 8.605 8.605 8.541 0.064 19945 9437 1 10 . 1 1 78 78 PHE N N 78 124.583 124.583 122.080 2.503 19945 9438 1 10 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.716 -0.556 19945 9439 1 10 . 1 1 78 78 PHE C C 78 175.347 175.347 175.242 0.105 19945 9440 1 10 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.035 3.107 19945 9441 1 10 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.885 0.283 19945 9442 1 10 . 1 1 78 78 PHE H H 78 8.053 8.053 8.038 0.015 19945 9443 1 10 . 1 1 79 79 ASN N N 79 121.321 121.321 121.934 -0.613 19945 9444 1 10 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.476 0.041 19945 9445 1 10 . 1 1 79 79 ASN C C 79 176.815 176.815 176.949 -0.134 19945 9446 1 10 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.470 0.982 19945 9447 1 10 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.188 0.551 19945 9448 1 10 . 1 1 79 79 ASN H H 79 8.695 8.695 8.715 -0.020 19945 9449 1 10 . 1 1 80 80 GLY N N 80 114.150 114.150 113.042 1.108 19945 9450 1 10 . 1 1 80 80 GLY C C 80 174.195 174.195 174.554 -0.359 19945 9451 1 10 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.572 0.074 19945 9452 1 10 . 1 1 80 80 GLY H H 80 8.646 8.646 8.769 -0.123 19945 9453 1 10 . 1 1 81 81 LYS N N 81 119.318 119.318 121.378 -2.060 19945 9454 1 10 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.368 0.669 19945 9455 1 10 . 1 1 81 81 LYS C C 81 176.268 176.268 175.851 0.417 19945 9456 1 10 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.144 -0.148 19945 9457 1 10 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.683 0.272 19945 9458 1 10 . 1 1 81 81 LYS H H 81 8.295 8.295 7.859 0.436 19945 9459 1 10 . 1 1 82 82 LEU N N 82 127.000 127.000 121.818 5.182 19945 9460 1 10 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.114 0.116 19945 9461 1 10 . 1 1 82 82 LEU C C 82 175.347 175.347 176.038 -0.691 19945 9462 1 10 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.489 -0.685 19945 9463 1 10 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.481 0.670 19945 9464 1 10 . 1 1 82 82 LEU H H 82 8.407 8.407 8.662 -0.255 19945 9465 1 10 . 1 1 83 83 VAL N N 83 121.665 121.665 121.321 0.344 19945 9466 1 10 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.219 0.621 19945 9467 1 10 . 1 1 83 83 VAL C C 83 173.417 173.417 174.090 -0.673 19945 9468 1 10 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.608 -1.406 19945 9469 1 10 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.002 0.346 19945 9470 1 10 . 1 1 83 83 VAL H H 83 8.960 8.960 8.974 -0.014 19945 9471 1 10 . 1 1 84 84 ALA N N 84 128.017 128.017 126.416 1.601 19945 9472 1 10 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.591 -0.258 19945 9473 1 10 . 1 1 84 84 ALA C C 84 175.231 175.231 175.531 -0.300 19945 9474 1 10 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.392 0.036 19945 9475 1 10 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.065 1.063 19945 9476 1 10 . 1 1 84 84 ALA H H 84 9.021 9.021 9.011 0.010 19945 9477 1 10 . 1 1 85 85 LEU N N 85 124.220 124.220 121.327 2.893 19945 9478 1 10 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.639 -0.027 19945 9479 1 10 . 1 1 85 85 LEU C C 85 174.454 174.454 176.039 -1.585 19945 9480 1 10 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.255 -0.282 19945 9481 1 10 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.930 0.982 19945 9482 1 10 . 1 1 85 85 LEU H H 85 11.134 11.134 9.022 2.112 19945 9483 1 10 . 1 1 86 86 PHE N N 86 114.461 114.461 117.358 -2.897 19945 9484 1 10 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.385 -0.163 19945 9485 1 10 . 1 1 86 86 PHE C C 86 173.619 173.619 173.844 -0.225 19945 9486 1 10 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.248 -0.570 19945 9487 1 10 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.052 0.928 19945 9488 1 10 . 1 1 86 86 PHE H H 86 8.829 8.829 8.871 -0.042 19945 9489 1 10 . 1 1 87 87 GLY N N 87 104.437 104.437 104.615 -0.178 19945 9490 1 10 . 1 1 87 87 GLY C C 87 170.423 170.423 171.973 -1.550 19945 9491 1 10 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.347 0.583 19945 9492 1 10 . 1 1 87 87 GLY H H 87 8.496 8.496 8.886 -0.390 19945 9493 1 10 . 1 1 88 88 CYS N N 88 114.166 114.166 118.384 -4.218 19945 9494 1 10 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.374 0.629 19945 9495 1 10 . 1 1 88 88 CYS C C 88 174.425 174.425 174.502 -0.077 19945 9496 1 10 . 1 1 88 88 CYS CA C 88 56.538 56.538 56.556 -0.019 19945 9497 1 10 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.408 -0.107 19945 9498 1 10 . 1 1 88 88 CYS H H 88 5.354 5.354 8.243 -2.889 19945 9499 1 10 . 1 1 89 89 GLY N N 89 109.463 109.463 108.224 1.239 19945 9500 1 10 . 1 1 89 89 GLY C C 89 173.187 173.187 171.428 1.759 19945 9501 1 10 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.259 2.184 19945 9502 1 10 . 1 1 89 89 GLY H H 89 8.404 8.404 8.011 0.393 19945 9503 1 10 . 1 1 90 90 ASP N N 90 123.090 123.090 117.275 5.815 19945 9504 1 10 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.995 0.804 19945 9505 1 10 . 1 1 90 90 ASP C C 90 176.095 176.095 174.948 1.147 19945 9506 1 10 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.249 -0.696 19945 9507 1 10 . 1 1 90 90 ASP CB C 90 43.255 43.255 44.172 -0.917 19945 9508 1 10 . 1 1 90 90 ASP H H 90 8.698 8.698 8.397 0.301 19945 9509 1 10 . 1 1 91 91 GLN N N 91 123.780 123.780 121.104 2.676 19945 9510 1 10 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.369 -0.673 19945 9511 1 10 . 1 1 91 91 GLN C C 91 173.639 173.639 176.411 -2.772 19945 9512 1 10 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.512 1.548 19945 9513 1 10 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.636 -0.195 19945 9514 1 10 . 1 1 91 91 GLN H H 91 9.675 9.675 8.699 0.976 19945 9515 1 10 . 1 1 92 92 GLU N N 92 118.631 118.631 119.292 -0.661 19945 9516 1 10 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.079 0.512 19945 9517 1 10 . 1 1 92 92 GLU C C 92 177.247 177.247 176.865 0.382 19945 9518 1 10 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.669 -1.333 19945 9519 1 10 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.843 0.927 19945 9520 1 10 . 1 1 92 92 GLU H H 92 8.396 8.396 8.038 0.358 19945 9521 1 10 . 1 1 93 93 ASP N N 93 120.889 120.889 115.841 5.048 19945 9522 1 10 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.538 -0.256 19945 9523 1 10 . 1 1 93 93 ASP C C 93 175.986 175.986 175.983 0.003 19945 9524 1 10 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.650 0.775 19945 9525 1 10 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.363 -1.113 19945 9526 1 10 . 1 1 93 93 ASP H H 93 7.779 7.779 8.377 -0.598 19945 9527 1 10 . 1 1 94 94 TYR N N 94 117.028 117.028 120.148 -3.120 19945 9528 1 10 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.805 -0.120 19945 9529 1 10 . 1 1 94 94 TYR C C 94 175.519 175.519 176.850 -1.331 19945 9530 1 10 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.685 -1.306 19945 9531 1 10 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.303 -0.461 19945 9532 1 10 . 1 1 94 94 TYR H H 94 6.693 6.693 8.027 -1.334 19945 9533 1 10 . 1 1 95 95 ALA N N 95 121.950 121.950 123.486 -1.536 19945 9534 1 10 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.453 -0.297 19945 9535 1 10 . 1 1 95 95 ALA C C 95 179.723 179.723 178.269 1.454 19945 9536 1 10 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.124 1.799 19945 9537 1 10 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.541 2.014 19945 9538 1 10 . 1 1 95 95 ALA H H 95 6.962 6.962 8.369 -1.407 19945 9539 1 10 . 1 1 96 96 GLU N N 96 115.884 115.884 117.811 -1.927 19945 9540 1 10 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.351 -0.045 19945 9541 1 10 . 1 1 96 96 GLU C C 96 174.684 174.684 176.194 -1.510 19945 9542 1 10 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.886 0.099 19945 9543 1 10 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.751 -0.575 19945 9544 1 10 . 1 1 96 96 GLU H H 96 9.327 9.327 8.562 0.765 19945 9545 1 10 . 1 1 97 97 TYR N N 97 121.836 121.836 116.390 5.446 19945 9546 1 10 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.794 0.615 19945 9547 1 10 . 1 1 97 97 TYR C C 97 179.953 179.953 174.707 5.246 19945 9548 1 10 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.109 0.333 19945 9549 1 10 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.472 2.820 19945 9550 1 10 . 1 1 97 97 TYR H H 97 8.175 8.175 8.112 0.063 19945 9551 1 10 . 1 1 98 98 PHE N N 98 124.580 124.580 124.374 0.206 19945 9552 1 10 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.583 0.554 19945 9553 1 10 . 1 1 98 98 PHE C C 98 174.742 174.742 175.973 -1.231 19945 9554 1 10 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.780 -1.117 19945 9555 1 10 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.547 -0.893 19945 9556 1 10 . 1 1 98 98 PHE H H 98 7.889 7.889 7.979 -0.090 19945 9557 1 10 . 1 1 99 99 CYS N N 99 120.329 120.329 123.290 -2.961 19945 9558 1 10 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.677 -0.025 19945 9559 1 10 . 1 1 99 99 CYS C C 99 175.087 175.087 175.492 -0.405 19945 9560 1 10 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.203 2.673 19945 9561 1 10 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.193 -1.193 19945 9562 1 10 . 1 1 99 99 CYS H H 99 8.617 8.617 8.515 0.102 19945 9563 1 10 . 1 1 100 100 ASP N N 100 116.705 116.705 121.915 -5.210 19945 9564 1 10 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.355 -0.410 19945 9565 1 10 . 1 1 100 100 ASP C C 100 178.888 178.888 177.047 1.841 19945 9566 1 10 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.304 0.824 19945 9567 1 10 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.289 0.660 19945 9568 1 10 . 1 1 100 100 ASP H H 100 7.104 7.104 8.052 -0.948 19945 9569 1 10 . 1 1 101 101 ALA N N 101 118.631 118.631 120.870 -2.239 19945 9570 1 10 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.287 -0.136 19945 9571 1 10 . 1 1 101 101 ALA C C 101 178.600 178.600 179.049 -0.449 19945 9572 1 10 . 1 1 101 101 ALA CA C 101 54.397 54.397 53.920 0.477 19945 9573 1 10 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.623 0.187 19945 9574 1 10 . 1 1 101 101 ALA H H 101 8.716 8.716 7.750 0.966 19945 9575 1 10 . 1 1 102 102 LEU N N 102 115.083 115.083 119.261 -4.178 19945 9576 1 10 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.940 -0.326 19945 9577 1 10 . 1 1 102 102 LEU C C 102 179.573 179.573 179.004 0.569 19945 9578 1 10 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.494 0.350 19945 9579 1 10 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.597 1.117 19945 9580 1 10 . 1 1 102 102 LEU H H 102 7.171 7.171 7.667 -0.496 19945 9581 1 10 . 1 1 103 103 GLY N N 103 104.501 104.501 105.182 -0.681 19945 9582 1 10 . 1 1 103 103 GLY C C 103 175.145 175.145 175.446 -0.301 19945 9583 1 10 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.276 -0.568 19945 9584 1 10 . 1 1 103 103 GLY H H 103 7.365 7.365 8.189 -0.824 19945 9585 1 10 . 1 1 104 104 THR N N 104 118.860 118.860 119.143 -0.283 19945 9586 1 10 . 1 1 104 104 THR HA H 104 3.737 3.737 3.853 -0.116 19945 9587 1 10 . 1 1 104 104 THR C C 104 176.354 176.354 176.516 -0.162 19945 9588 1 10 . 1 1 104 104 THR CA C 104 65.799 65.799 66.610 -0.811 19945 9589 1 10 . 1 1 104 104 THR CB C 104 67.961 67.961 68.616 -0.655 19945 9590 1 10 . 1 1 104 104 THR H H 104 7.343 7.343 7.346 -0.003 19945 9591 1 10 . 1 1 105 105 ILE N N 105 118.663 118.663 121.364 -2.701 19945 9592 1 10 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.533 -0.029 19945 9593 1 10 . 1 1 105 105 ILE C C 105 177.391 177.391 177.413 -0.022 19945 9594 1 10 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.654 0.896 19945 9595 1 10 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.568 0.182 19945 9596 1 10 . 1 1 105 105 ILE H H 105 7.589 7.589 7.281 0.308 19945 9597 1 10 . 1 1 106 106 ARG N N 106 126.041 126.041 120.139 5.902 19945 9598 1 10 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.950 -0.370 19945 9599 1 10 . 1 1 106 106 ARG C C 106 176.614 176.614 178.272 -1.658 19945 9600 1 10 . 1 1 106 106 ARG CA C 106 60.267 60.267 58.689 1.578 19945 9601 1 10 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.572 -2.256 19945 9602 1 10 . 1 1 106 106 ARG H H 106 7.307 7.307 8.087 -0.780 19945 9603 1 10 . 1 1 107 107 ASP N N 107 117.480 117.480 118.496 -1.016 19945 9604 1 10 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.496 -0.148 19945 9605 1 10 . 1 1 107 107 ASP C C 107 177.189 177.189 177.741 -0.552 19945 9606 1 10 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.559 -0.059 19945 9607 1 10 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.879 -1.205 19945 9608 1 10 . 1 1 107 107 ASP H H 107 8.202 8.202 7.921 0.281 19945 9609 1 10 . 1 1 108 108 ILE N N 108 117.715 117.715 119.065 -1.350 19945 9610 1 10 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.877 -0.021 19945 9611 1 10 . 1 1 108 108 ILE C C 108 178.427 178.427 177.809 0.618 19945 9612 1 10 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.757 0.221 19945 9613 1 10 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.649 0.802 19945 9614 1 10 . 1 1 108 108 ILE H H 108 7.107 7.107 7.165 -0.058 19945 9615 1 10 . 1 1 109 109 ILE N N 109 111.534 111.534 116.194 -4.660 19945 9616 1 10 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.948 -0.213 19945 9617 1 10 . 1 1 109 109 ILE C C 109 177.305 177.305 176.993 0.312 19945 9618 1 10 . 1 1 109 109 ILE CA C 109 64.605 64.605 63.863 0.742 19945 9619 1 10 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.608 -0.197 19945 9620 1 10 . 1 1 109 109 ILE H H 109 7.501 7.501 8.320 -0.819 19945 9621 1 10 . 1 1 110 110 GLU N N 110 127.123 127.123 123.085 4.038 19945 9622 1 10 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.189 0.109 19945 9623 1 10 . 1 1 110 110 GLU C C 110 177.391 177.391 176.768 0.623 19945 9624 1 10 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.662 1.669 19945 9625 1 10 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.243 -0.395 19945 9626 1 10 . 1 1 110 110 GLU H H 110 8.867 8.867 8.180 0.687 19945 9627 1 10 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.374 0.242 19945 9628 1 10 . 1 1 111 111 PRO C C 111 177.417 177.417 177.720 -0.303 19945 9629 1 10 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.808 0.427 19945 9630 1 10 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.176 -0.141 19945 9631 1 10 . 1 1 112 112 ARG N N 112 114.612 114.612 116.521 -1.909 19945 9632 1 10 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.521 0.047 19945 9633 1 10 . 1 1 112 112 ARG C C 112 175.792 175.792 176.699 -0.907 19945 9634 1 10 . 1 1 112 112 ARG CA C 112 55.741 55.741 54.510 1.231 19945 9635 1 10 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.698 0.806 19945 9636 1 10 . 1 1 112 112 ARG H H 112 6.542 6.542 7.656 -1.114 19945 9637 1 10 . 1 1 113 113 GLY N N 113 106.474 106.474 106.729 -0.255 19945 9638 1 10 . 1 1 113 113 GLY C C 113 174.347 174.347 173.969 0.378 19945 9639 1 10 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.317 0.323 19945 9640 1 10 . 1 1 113 113 GLY H H 113 7.845 7.845 8.335 -0.490 19945 9641 1 10 . 1 1 114 114 ALA N N 114 122.280 122.280 123.495 -1.215 19945 9642 1 10 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.941 -0.662 19945 9643 1 10 . 1 1 114 114 ALA C C 114 176.785 176.785 177.458 -0.673 19945 9644 1 10 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.393 0.998 19945 9645 1 10 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.628 -0.017 19945 9646 1 10 . 1 1 114 114 ALA H H 114 7.535 7.535 7.718 -0.183 19945 9647 1 10 . 1 1 115 115 THR N N 115 120.909 120.909 119.540 1.369 19945 9648 1 10 . 1 1 115 115 THR HA H 115 4.478 4.478 4.595 -0.117 19945 9649 1 10 . 1 1 115 115 THR C C 115 172.963 172.963 173.410 -0.447 19945 9650 1 10 . 1 1 115 115 THR CA C 115 62.825 62.825 62.804 0.021 19945 9651 1 10 . 1 1 115 115 THR CB C 115 69.501 69.501 69.766 -0.265 19945 9652 1 10 . 1 1 115 115 THR H H 115 7.902 7.902 8.854 -0.952 19945 9653 1 10 . 1 1 116 116 ILE N N 116 129.162 129.162 128.564 0.598 19945 9654 1 10 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.135 0.162 19945 9655 1 10 . 1 1 116 116 ILE C C 116 177.056 177.056 175.170 1.886 19945 9656 1 10 . 1 1 116 116 ILE CA C 116 60.523 60.523 59.962 0.561 19945 9657 1 10 . 1 1 116 116 ILE CB C 116 38.300 38.300 40.111 -1.810 19945 9658 1 10 . 1 1 116 116 ILE H H 116 8.784 8.784 8.542 0.242 19945 9659 1 10 . 1 1 117 117 VAL N N 117 122.981 122.981 121.870 1.111 19945 9660 1 10 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.435 0.159 19945 9661 1 10 . 1 1 117 117 VAL C C 117 175.190 175.190 175.522 -0.332 19945 9662 1 10 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.461 -0.532 19945 9663 1 10 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.817 -2.453 19945 9664 1 10 . 1 1 117 117 VAL H H 117 8.812 8.812 8.772 0.040 19945 9665 1 10 . 1 1 118 118 GLY N N 118 108.558 108.558 107.030 1.528 19945 9666 1 10 . 1 1 118 118 GLY C C 118 175.792 175.792 174.872 0.920 19945 9667 1 10 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.500 2.246 19945 9668 1 10 . 1 1 118 118 GLY H H 118 9.297 9.297 8.693 0.604 19945 9669 1 10 . 1 1 119 119 HIS N N 119 118.402 118.402 118.871 -0.469 19945 9670 1 10 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.959 -0.187 19945 9671 1 10 . 1 1 119 119 HIS C C 119 175.866 175.866 174.670 1.196 19945 9672 1 10 . 1 1 119 119 HIS CA C 119 55.602 55.602 56.404 -0.802 19945 9673 1 10 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.780 -1.924 19945 9674 1 10 . 1 1 119 119 HIS H H 119 8.901 8.901 7.921 0.980 19945 9675 1 10 . 1 1 120 120 TRP N N 120 124.300 124.300 122.688 1.612 19945 9676 1 10 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.202 1.091 19945 9677 1 10 . 1 1 120 120 TRP C C 120 173.113 173.113 173.280 -0.167 19945 9678 1 10 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.041 -0.537 19945 9679 1 10 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.890 2.396 19945 9680 1 10 . 1 1 120 120 TRP H H 120 8.455 8.455 8.797 -0.342 19945 9681 1 10 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.804 -0.207 19945 9682 1 10 . 1 1 121 121 PRO C C 121 176.243 176.243 176.597 -0.354 19945 9683 1 10 . 1 1 121 121 PRO CA C 121 63.450 63.450 63.065 0.385 19945 9684 1 10 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.549 -0.452 19945 9685 1 10 . 1 1 122 122 THR N N 122 110.568 110.568 112.593 -2.025 19945 9686 1 10 . 1 1 122 122 THR HA H 122 4.232 4.232 4.255 -0.024 19945 9687 1 10 . 1 1 122 122 THR C C 122 176.424 176.424 175.751 0.673 19945 9688 1 10 . 1 1 122 122 THR CA C 122 62.079 62.079 63.553 -1.474 19945 9689 1 10 . 1 1 122 122 THR CB C 122 68.758 68.758 69.210 -0.452 19945 9690 1 10 . 1 1 122 122 THR H H 122 7.560 7.560 8.466 -0.906 19945 9691 1 10 . 1 1 123 123 ALA N N 123 126.038 126.038 123.802 2.236 19945 9692 1 10 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.995 0.274 19945 9693 1 10 . 1 1 123 123 ALA C C 123 178.862 178.862 177.559 1.303 19945 9694 1 10 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.613 1.269 19945 9695 1 10 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.430 0.854 19945 9696 1 10 . 1 1 123 123 ALA H H 123 7.144 7.144 8.163 -1.019 19945 9697 1 10 . 1 1 124 124 GLY N N 124 111.468 111.468 106.930 4.538 19945 9698 1 10 . 1 1 124 124 GLY C C 124 173.775 173.775 174.643 -0.868 19945 9699 1 10 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.965 0.416 19945 9700 1 10 . 1 1 124 124 GLY H H 124 9.058 9.058 8.377 0.681 19945 9701 1 10 . 1 1 125 125 TYR N N 125 119.088 119.088 118.339 0.749 19945 9702 1 10 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.119 0.824 19945 9703 1 10 . 1 1 125 125 TYR C C 125 175.581 175.581 174.895 0.686 19945 9704 1 10 . 1 1 125 125 TYR CA C 125 56.762 56.762 57.171 -0.409 19945 9705 1 10 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.954 1.596 19945 9706 1 10 . 1 1 125 125 TYR H H 125 8.008 8.008 7.922 0.086 19945 9707 1 10 . 1 1 126 126 HIS N N 126 121.799 121.799 122.095 -0.296 19945 9708 1 10 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.370 0.643 19945 9709 1 10 . 1 1 126 126 HIS C C 126 171.969 171.969 173.211 -1.242 19945 9710 1 10 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.595 -0.448 19945 9711 1 10 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.365 -0.978 19945 9712 1 10 . 1 1 126 126 HIS H H 126 9.512 9.512 8.020 1.492 19945 9713 1 10 . 1 1 127 127 PHE N N 127 117.258 117.258 118.373 -1.115 19945 9714 1 10 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.658 0.265 19945 9715 1 10 . 1 1 127 127 PHE C C 127 172.722 172.722 176.336 -3.614 19945 9716 1 10 . 1 1 127 127 PHE CA C 127 55.300 55.300 54.770 0.529 19945 9717 1 10 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.664 -0.910 19945 9718 1 10 . 1 1 127 127 PHE H H 127 7.397 7.397 7.290 0.107 19945 9719 1 10 . 1 1 128 128 GLU N N 128 120.484 120.484 120.736 -0.252 19945 9720 1 10 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.130 0.233 19945 9721 1 10 . 1 1 128 128 GLU C C 128 176.033 176.033 176.383 -0.350 19945 9722 1 10 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.520 -1.452 19945 9723 1 10 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.388 1.444 19945 9724 1 10 . 1 1 128 128 GLU H H 128 8.492 8.492 8.909 -0.417 19945 9725 1 10 . 1 1 129 129 ALA N N 129 123.500 123.500 121.375 2.125 19945 9726 1 10 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.831 -0.133 19945 9727 1 10 . 1 1 129 129 ALA C C 129 174.016 174.016 175.568 -1.552 19945 9728 1 10 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.776 0.678 19945 9729 1 10 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.819 0.184 19945 9730 1 10 . 1 1 129 129 ALA H H 129 9.155 9.155 8.195 0.960 19945 9731 1 10 . 1 1 130 130 SER N N 130 110.807 110.807 121.123 -10.316 19945 9732 1 10 . 1 1 130 130 SER HA H 130 4.942 4.942 5.011 -0.069 19945 9733 1 10 . 1 1 130 130 SER C C 130 176.665 176.665 175.120 1.545 19945 9734 1 10 . 1 1 130 130 SER CA C 130 57.471 57.471 58.415 -0.944 19945 9735 1 10 . 1 1 130 130 SER CB C 130 67.205 67.205 63.721 3.483 19945 9736 1 10 . 1 1 130 130 SER H H 130 8.101 8.101 8.586 -0.485 19945 9737 1 10 . 1 1 131 131 LYS N N 131 129.963 129.963 125.923 4.040 19945 9738 1 10 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.542 -0.093 19945 9739 1 10 . 1 1 131 131 LYS C C 131 176.533 176.533 177.549 -1.016 19945 9740 1 10 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.875 1.025 19945 9741 1 10 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.926 -0.297 19945 9742 1 10 . 1 1 131 131 LYS H H 131 9.690 9.690 8.484 1.206 19945 9743 1 10 . 1 1 132 132 GLY N N 132 107.870 107.870 107.774 0.096 19945 9744 1 10 . 1 1 132 132 GLY C C 132 173.354 173.354 173.727 -0.373 19945 9745 1 10 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.156 0.490 19945 9746 1 10 . 1 1 132 132 GLY H H 132 9.187 9.187 7.717 1.470 19945 9747 1 10 . 1 1 133 133 LEU N N 133 119.088 119.088 119.680 -0.592 19945 9748 1 10 . 1 1 133 133 LEU HA H 133 4.643 4.643 3.946 0.697 19945 9749 1 10 . 1 1 133 133 LEU C C 133 177.748 177.748 176.786 0.962 19945 9750 1 10 . 1 1 133 133 LEU CA C 133 55.476 55.476 56.011 -0.535 19945 9751 1 10 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.539 -1.035 19945 9752 1 10 . 1 1 133 133 LEU H H 133 7.098 7.098 7.406 -0.308 19945 9753 1 10 . 1 1 134 134 ALA N N 134 125.720 125.720 128.599 -2.879 19945 9754 1 10 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.272 -0.035 19945 9755 1 10 . 1 1 134 134 ALA C C 134 176.695 176.695 176.867 -0.172 19945 9756 1 10 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.511 -0.223 19945 9757 1 10 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.565 -0.953 19945 9758 1 10 . 1 1 134 134 ALA H H 134 9.154 9.154 8.652 0.502 19945 9759 1 10 . 1 1 135 135 ASP N N 135 114.952 114.952 116.179 -1.227 19945 9760 1 10 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.642 -0.113 19945 9761 1 10 . 1 1 135 135 ASP C C 135 175.130 175.130 175.129 0.001 19945 9762 1 10 . 1 1 135 135 ASP CA C 135 52.960 52.960 52.840 0.120 19945 9763 1 10 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.368 -2.840 19945 9764 1 10 . 1 1 135 135 ASP H H 135 8.299 8.299 7.361 0.938 19945 9765 1 10 . 1 1 136 136 ASP N N 136 114.870 114.870 121.256 -6.386 19945 9766 1 10 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.251 0.084 19945 9767 1 10 . 1 1 136 136 ASP C C 136 176.303 176.303 176.895 -0.592 19945 9768 1 10 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.092 0.752 19945 9769 1 10 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.875 -0.011 19945 9770 1 10 . 1 1 136 136 ASP H H 136 8.433 8.433 8.689 -0.256 19945 9771 1 10 . 1 1 137 137 ASP N N 137 113.709 113.709 117.812 -4.103 19945 9772 1 10 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.602 0.229 19945 9773 1 10 . 1 1 137 137 ASP C C 137 176.514 176.514 175.142 1.372 19945 9774 1 10 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.672 -1.355 19945 9775 1 10 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.428 0.030 19945 9776 1 10 . 1 1 137 137 ASP H H 137 8.232 8.232 8.200 0.032 19945 9777 1 10 . 1 1 138 138 HIS N N 138 117.829 117.829 112.959 4.870 19945 9778 1 10 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.148 0.134 19945 9779 1 10 . 1 1 138 138 HIS C C 138 175.130 175.130 173.301 1.829 19945 9780 1 10 . 1 1 138 138 HIS CA C 138 56.599 56.599 54.289 2.309 19945 9781 1 10 . 1 1 138 138 HIS CB C 138 32.000 32.000 31.220 0.780 19945 9782 1 10 . 1 1 138 138 HIS H H 138 7.764 7.764 7.457 0.307 19945 9783 1 10 . 1 1 139 139 PHE N N 139 123.553 123.553 120.518 3.035 19945 9784 1 10 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.675 0.344 19945 9785 1 10 . 1 1 139 139 PHE C C 139 177.477 177.477 177.119 0.358 19945 9786 1 10 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.010 -0.451 19945 9787 1 10 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.847 3.025 19945 9788 1 10 . 1 1 139 139 PHE H H 139 9.955 9.955 9.682 0.273 19945 9789 1 10 . 1 1 140 140 VAL N N 140 119.420 119.420 120.651 -1.231 19945 9790 1 10 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.238 -0.560 19945 9791 1 10 . 1 1 140 140 VAL C C 140 173.023 173.023 175.516 -2.493 19945 9792 1 10 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.755 -1.638 19945 9793 1 10 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.454 0.082 19945 9794 1 10 . 1 1 140 140 VAL H H 140 9.178 9.178 8.738 0.440 19945 9795 1 10 . 1 1 141 141 GLY N N 141 105.680 105.680 103.794 1.886 19945 9796 1 10 . 1 1 141 141 GLY C C 141 171.284 171.284 172.588 -1.304 19945 9797 1 10 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.656 1.065 19945 9798 1 10 . 1 1 141 141 GLY H H 141 6.837 6.837 7.556 -0.719 19945 9799 1 10 . 1 1 142 142 LEU N N 142 118.516 118.516 121.143 -2.627 19945 9800 1 10 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.878 -0.831 19945 9801 1 10 . 1 1 142 142 LEU C C 142 173.725 173.725 174.554 -0.829 19945 9802 1 10 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.509 1.195 19945 9803 1 10 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.946 -2.207 19945 9804 1 10 . 1 1 142 142 LEU H H 142 7.423 7.423 7.544 -0.121 19945 9805 1 10 . 1 1 143 143 ALA N N 143 128.382 128.382 130.593 -2.211 19945 9806 1 10 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.708 -0.234 19945 9807 1 10 . 1 1 143 143 ALA C C 143 175.685 175.685 176.450 -0.765 19945 9808 1 10 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.636 -0.005 19945 9809 1 10 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.016 0.831 19945 9810 1 10 . 1 1 143 143 ALA H H 143 5.414 5.414 7.953 -2.539 19945 9811 1 10 . 1 1 144 144 ILE N N 144 126.754 126.754 119.696 7.058 19945 9812 1 10 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.378 -0.063 19945 9813 1 10 . 1 1 144 144 ILE C C 144 173.725 173.725 174.593 -0.868 19945 9814 1 10 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.810 -4.089 19945 9815 1 10 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.489 -0.859 19945 9816 1 10 . 1 1 144 144 ILE H H 144 8.849 8.849 8.148 0.702 19945 9817 1 10 . 1 1 145 145 ASP N N 145 125.518 125.518 125.493 0.025 19945 9818 1 10 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.858 0.938 19945 9819 1 10 . 1 1 145 145 ASP C C 145 176.830 176.830 174.431 2.399 19945 9820 1 10 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.239 -1.686 19945 9821 1 10 . 1 1 145 145 ASP CB C 145 43.502 43.502 44.741 -1.239 19945 9822 1 10 . 1 1 145 145 ASP H H 145 8.088 8.088 8.402 -0.314 19945 9823 1 10 . 1 1 146 146 GLU N N 146 125.475 125.475 122.612 2.863 19945 9824 1 10 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.650 0.013 19945 9825 1 10 . 1 1 146 146 GLU C C 146 177.132 177.132 175.558 1.574 19945 9826 1 10 . 1 1 146 146 GLU CA C 146 56.273 56.273 57.092 -0.819 19945 9827 1 10 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.116 0.134 19945 9828 1 10 . 1 1 146 146 GLU H H 146 8.390 8.390 8.386 0.004 19945 9829 1 10 . 1 1 147 147 ASP N N 147 120.137 120.137 118.811 1.326 19945 9830 1 10 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.761 -0.194 19945 9831 1 10 . 1 1 147 147 ASP C C 147 178.126 178.126 175.420 2.706 19945 9832 1 10 . 1 1 147 147 ASP CA C 147 58.001 58.001 53.559 4.442 19945 9833 1 10 . 1 1 147 147 ASP CB C 147 43.250 43.250 41.719 1.531 19945 9834 1 10 . 1 1 147 147 ASP H H 147 8.599 8.599 7.663 0.936 19945 9835 1 10 . 1 1 148 148 ARG N N 148 115.655 115.655 124.322 -8.667 19945 9836 1 10 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.698 1.000 19945 9837 1 10 . 1 1 148 148 ARG C C 148 177.704 177.704 174.826 2.878 19945 9838 1 10 . 1 1 148 148 ARG CA C 148 52.960 52.960 57.331 -4.371 19945 9839 1 10 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.767 2.047 19945 9840 1 10 . 1 1 148 148 ARG H H 148 9.762 9.762 8.555 1.207 19945 9841 1 10 . 1 1 149 149 GLN N N 149 116.313 116.313 117.069 -0.756 19945 9842 1 10 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.042 1.257 19945 9843 1 10 . 1 1 149 149 GLN C C 149 175.142 175.142 173.613 1.529 19945 9844 1 10 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.751 -3.350 19945 9845 1 10 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.433 3.409 19945 9846 1 10 . 1 1 149 149 GLN H H 149 7.622 7.622 9.092 -1.470 19945 9847 1 10 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.705 -0.024 19945 9848 1 10 . 1 1 150 150 PRO C C 150 179.483 179.483 175.808 3.675 19945 9849 1 10 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.884 2.442 19945 9850 1 10 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.028 -1.375 19945 9851 1 10 . 1 1 151 151 GLU N N 151 122.981 122.981 120.096 2.885 19945 9852 1 10 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.485 -0.084 19945 9853 1 10 . 1 1 151 151 GLU C C 151 177.041 177.041 177.157 -0.116 19945 9854 1 10 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.282 2.116 19945 9855 1 10 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.739 -4.157 19945 9856 1 10 . 1 1 151 151 GLU H H 151 10.520 10.520 9.510 1.010 19945 9857 1 10 . 1 1 152 152 LEU N N 152 120.119 120.119 121.460 -1.341 19945 9858 1 10 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.860 -0.169 19945 9859 1 10 . 1 1 152 152 LEU C C 152 177.222 177.222 177.407 -0.185 19945 9860 1 10 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.367 -0.058 19945 9861 1 10 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.238 0.697 19945 9862 1 10 . 1 1 152 152 LEU H H 152 7.589 7.589 8.897 -1.308 19945 9863 1 10 . 1 1 153 153 THR N N 153 119.637 119.637 117.124 2.513 19945 9864 1 10 . 1 1 153 153 THR HA H 153 3.592 3.592 3.769 -0.177 19945 9865 1 10 . 1 1 153 153 THR C C 153 174.178 174.178 175.951 -1.773 19945 9866 1 10 . 1 1 153 153 THR CA C 153 67.960 67.960 67.237 0.723 19945 9867 1 10 . 1 1 153 153 THR CB C 153 69.023 69.023 68.474 0.549 19945 9868 1 10 . 1 1 153 153 THR H H 153 7.469 7.469 8.315 -0.846 19945 9869 1 10 . 1 1 154 154 ALA N N 154 123.665 123.665 121.851 1.814 19945 9870 1 10 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.137 -0.249 19945 9871 1 10 . 1 1 154 154 ALA C C 154 180.417 180.417 179.371 1.046 19945 9872 1 10 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.615 1.923 19945 9873 1 10 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.626 -1.404 19945 9874 1 10 . 1 1 154 154 ALA H H 154 9.077 9.077 8.569 0.508 19945 9875 1 10 . 1 1 155 155 GLU N N 155 119.661 119.661 119.297 0.364 19945 9876 1 10 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.020 0.232 19945 9877 1 10 . 1 1 155 155 GLU C C 155 178.518 178.518 179.107 -0.589 19945 9878 1 10 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.898 -1.081 19945 9879 1 10 . 1 1 155 155 GLU CB C 155 29.707 29.707 28.985 0.722 19945 9880 1 10 . 1 1 155 155 GLU H H 155 8.647 8.647 8.411 0.236 19945 9881 1 10 . 1 1 156 156 ARG N N 156 120.739 120.739 119.987 0.752 19945 9882 1 10 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.147 0.071 19945 9883 1 10 . 1 1 156 156 ARG C C 156 177.252 177.252 178.826 -1.574 19945 9884 1 10 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.364 1.105 19945 9885 1 10 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.009 1.014 19945 9886 1 10 . 1 1 156 156 ARG H H 156 8.129 8.129 8.483 -0.354 19945 9887 1 10 . 1 1 157 157 VAL N N 157 117.372 117.372 119.484 -2.112 19945 9888 1 10 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.735 -0.416 19945 9889 1 10 . 1 1 157 157 VAL C C 157 177.192 177.192 178.090 -0.898 19945 9890 1 10 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.212 1.188 19945 9891 1 10 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.919 0.913 19945 9892 1 10 . 1 1 157 157 VAL H H 157 8.578 8.578 8.038 0.540 19945 9893 1 10 . 1 1 158 158 GLU N N 158 118.631 118.631 121.485 -2.854 19945 9894 1 10 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.320 -0.123 19945 9895 1 10 . 1 1 158 158 GLU C C 158 179.995 179.995 179.372 0.623 19945 9896 1 10 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.973 -0.235 19945 9897 1 10 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.494 -0.317 19945 9898 1 10 . 1 1 158 158 GLU H H 158 8.046 8.046 8.468 -0.422 19945 9899 1 10 . 1 1 159 159 LYS N N 159 118.860 118.860 119.153 -0.293 19945 9900 1 10 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.129 0.057 19945 9901 1 10 . 1 1 159 159 LYS C C 159 179.844 179.844 179.584 0.260 19945 9902 1 10 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.302 0.693 19945 9903 1 10 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.592 1.100 19945 9904 1 10 . 1 1 159 159 LYS H H 159 8.522 8.522 8.344 0.178 19945 9905 1 10 . 1 1 160 160 TRP N N 160 125.100 125.100 121.843 3.257 19945 9906 1 10 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.719 -0.349 19945 9907 1 10 . 1 1 160 160 TRP C C 160 178.006 178.006 177.799 0.207 19945 9908 1 10 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.469 1.345 19945 9909 1 10 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.813 -1.021 19945 9910 1 10 . 1 1 160 160 TRP H H 160 9.076 9.076 8.602 0.474 19945 9911 1 10 . 1 1 161 161 VAL N N 161 118.402 118.402 119.775 -1.373 19945 9912 1 10 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.176 0.194 19945 9913 1 10 . 1 1 161 161 VAL C C 161 179.392 179.392 178.095 1.297 19945 9914 1 10 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.546 0.458 19945 9915 1 10 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.325 -0.975 19945 9916 1 10 . 1 1 161 161 VAL H H 161 9.024 9.024 8.489 0.535 19945 9917 1 10 . 1 1 162 162 LYS N N 162 123.209 123.209 119.342 3.867 19945 9918 1 10 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.910 0.092 19945 9919 1 10 . 1 1 162 162 LYS C C 162 178.759 178.759 178.925 -0.166 19945 9920 1 10 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.900 0.472 19945 9921 1 10 . 1 1 162 162 LYS CB C 162 32.364 32.364 31.975 0.389 19945 9922 1 10 . 1 1 162 162 LYS H H 162 7.820 7.820 8.110 -0.290 19945 9923 1 10 . 1 1 163 163 GLN N N 163 121.722 121.722 118.113 3.609 19945 9924 1 10 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.003 0.187 19945 9925 1 10 . 1 1 163 163 GLN C C 163 179.935 179.935 178.298 1.637 19945 9926 1 10 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.583 1.143 19945 9927 1 10 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.837 0.185 19945 9928 1 10 . 1 1 163 163 GLN H H 163 8.126 8.126 7.567 0.559 19945 9929 1 10 . 1 1 164 164 ILE N N 164 114.390 114.390 118.074 -3.684 19945 9930 1 10 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.620 0.370 19945 9931 1 10 . 1 1 164 164 ILE C C 164 178.156 178.156 177.593 0.563 19945 9932 1 10 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.227 0.950 19945 9933 1 10 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.315 0.363 19945 9934 1 10 . 1 1 164 164 ILE H H 164 9.110 9.110 7.918 1.192 19945 9935 1 10 . 1 1 165 165 SER N N 165 119.660 119.660 116.571 3.089 19945 9936 1 10 . 1 1 165 165 SER HA H 165 3.976 3.976 3.985 -0.009 19945 9937 1 10 . 1 1 165 165 SER C C 165 176.438 176.438 176.152 0.286 19945 9938 1 10 . 1 1 165 165 SER CA C 165 63.180 63.180 62.825 0.355 19945 9939 1 10 . 1 1 165 165 SER CB C 165 62.383 62.383 62.602 -0.219 19945 9940 1 10 . 1 1 165 165 SER H H 165 8.278 8.278 8.504 -0.226 19945 9941 1 10 . 1 1 166 166 GLU N N 166 122.290 122.290 119.723 2.567 19945 9942 1 10 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.102 0.108 19945 9943 1 10 . 1 1 166 166 GLU C C 166 179.965 179.965 177.717 2.248 19945 9944 1 10 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.911 1.284 19945 9945 1 10 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.357 -0.113 19945 9946 1 10 . 1 1 166 166 GLU H H 166 7.345 7.345 7.623 -0.278 19945 9947 1 10 . 1 1 167 167 GLU N N 167 120.787 120.787 118.798 1.989 19945 9948 1 10 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.956 -0.017 19945 9949 1 10 . 1 1 167 167 GLU C C 167 178.518 178.518 177.952 0.566 19945 9950 1 10 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.479 1.521 19945 9951 1 10 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.059 0.741 19945 9952 1 10 . 1 1 167 167 GLU H H 167 8.413 8.413 7.624 0.789 19945 9953 1 10 . 1 1 168 168 LEU N N 168 115.420 115.420 116.895 -1.475 19945 9954 1 10 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.224 -0.087 19945 9955 1 10 . 1 1 168 168 LEU C C 168 175.896 175.896 176.673 -0.777 19945 9956 1 10 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.279 -0.499 19945 9957 1 10 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.329 0.971 19945 9958 1 10 . 1 1 168 168 LEU H H 168 8.553 8.553 7.959 0.594 19945 9959 1 10 . 1 1 169 169 HIS N N 169 113.347 113.347 112.714 0.633 19945 9960 1 10 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.281 0.070 19945 9961 1 10 . 1 1 169 169 HIS C C 169 175.835 175.835 175.472 0.363 19945 9962 1 10 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.952 -0.679 19945 9963 1 10 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.647 -0.925 19945 9964 1 10 . 1 1 169 169 HIS H H 169 7.550 7.550 7.780 -0.230 19945 9965 1 10 . 1 1 170 170 LEU N N 170 117.250 117.250 117.573 -0.323 19945 9966 1 10 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.208 -0.205 19945 9967 1 10 . 1 1 170 170 LEU C C 170 178.096 178.096 177.650 0.446 19945 9968 1 10 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.378 1.590 19945 9969 1 10 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.695 0.163 19945 9970 1 10 . 1 1 170 170 LEU H H 170 8.069 8.069 7.991 0.078 19945 9971 1 10 . 1 1 171 171 ASP N N 171 117.300 117.300 120.886 -3.586 19945 9972 1 10 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.163 0.172 19945 9973 1 10 . 1 1 171 171 ASP C C 171 177.915 177.915 177.843 0.072 19945 9974 1 10 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.201 -1.511 19945 9975 1 10 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.766 -0.706 19945 9976 1 10 . 1 1 171 171 ASP H H 171 8.732 8.732 8.136 0.596 19945 9977 1 10 . 1 1 172 172 GLU N N 172 119.203 119.203 116.090 3.113 19945 9978 1 10 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.172 0.055 19945 9979 1 10 . 1 1 172 172 GLU C C 172 178.277 178.277 177.179 1.098 19945 9980 1 10 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.535 -0.403 19945 9981 1 10 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.250 0.750 19945 9982 1 10 . 1 1 172 172 GLU H H 172 7.804 7.804 8.753 -0.949 19945 9983 1 10 . 1 1 173 173 ILE N N 173 119.519 119.519 117.018 2.501 19945 9984 1 10 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.124 -0.071 19945 9985 1 10 . 1 1 173 173 ILE C C 173 178.006 178.006 178.224 -0.218 19945 9986 1 10 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.283 0.317 19945 9987 1 10 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.315 -0.315 19945 9988 1 10 . 1 1 173 173 ILE H H 173 7.787 7.787 7.635 0.152 19945 9989 1 10 . 1 1 174 174 LEU N N 174 121.260 121.260 118.202 3.058 19945 9990 1 10 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.309 -0.023 19945 9991 1 10 . 1 1 174 174 LEU C C 174 177.704 177.704 177.543 0.161 19945 9992 1 10 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.493 -1.220 19945 9993 1 10 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.342 0.117 19945 9994 1 10 . 1 1 174 174 LEU H H 174 8.241 8.241 8.520 -0.279 19945 9995 1 10 . 1 1 175 175 ASN N N 175 118.280 118.280 117.563 0.717 19945 9996 1 10 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.818 0.011 19945 9997 1 10 . 1 1 175 175 ASN C C 175 173.846 173.846 175.083 -1.237 19945 9998 1 10 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.649 1.573 19945 9999 1 10 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.264 0.007 19945 10000 1 10 . 1 1 175 175 ASN H H 175 7.883 7.883 8.028 -0.145 19945 10001 1 11 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.928 -0.676 19945 10002 1 11 . 1 1 2 2 ALA C C 2 174.479 174.479 177.771 -3.292 19945 10003 1 11 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.453 2.015 19945 10004 1 11 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.316 -1.149 19945 10005 1 11 . 1 1 3 3 ILE N N 3 116.571 116.571 115.386 1.185 19945 10006 1 11 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.457 0.088 19945 10007 1 11 . 1 1 3 3 ILE C C 3 175.806 175.806 175.768 0.038 19945 10008 1 11 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.107 1.088 19945 10009 1 11 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.712 0.697 19945 10010 1 11 . 1 1 3 3 ILE H H 3 8.456 8.456 8.173 0.283 19945 10011 1 11 . 1 1 4 4 THR N N 4 115.734 115.734 117.908 -2.174 19945 10012 1 11 . 1 1 4 4 THR HA H 4 5.124 5.124 4.959 0.165 19945 10013 1 11 . 1 1 4 4 THR C C 4 172.410 172.410 173.312 -0.902 19945 10014 1 11 . 1 1 4 4 THR CA C 4 61.724 61.724 60.980 0.744 19945 10015 1 11 . 1 1 4 4 THR CB C 4 70.059 70.059 70.487 -0.428 19945 10016 1 11 . 1 1 4 4 THR H H 4 8.244 8.244 8.152 0.092 19945 10017 1 11 . 1 1 5 5 GLY N N 5 116.016 116.016 112.943 3.073 19945 10018 1 11 . 1 1 5 5 GLY C C 5 171.077 171.077 172.683 -1.606 19945 10019 1 11 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.156 0.353 19945 10020 1 11 . 1 1 5 5 GLY H H 5 8.554 8.554 8.839 -0.285 19945 10021 1 11 . 1 1 6 6 ILE N N 6 126.504 126.504 127.115 -0.611 19945 10022 1 11 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.822 0.629 19945 10023 1 11 . 1 1 6 6 ILE C C 6 175.245 175.245 174.594 0.651 19945 10024 1 11 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.389 -1.471 19945 10025 1 11 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.657 -0.449 19945 10026 1 11 . 1 1 6 6 ILE H H 6 8.719 8.719 8.996 -0.277 19945 10027 1 11 . 1 1 7 7 PHE N N 7 127.559 127.559 127.318 0.241 19945 10028 1 11 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.536 0.077 19945 10029 1 11 . 1 1 7 7 PHE C C 7 174.634 174.634 175.110 -0.476 19945 10030 1 11 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.153 -0.490 19945 10031 1 11 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.229 0.459 19945 10032 1 11 . 1 1 7 7 PHE H H 7 9.609 9.609 9.397 0.212 19945 10033 1 11 . 1 1 8 8 PHE N N 8 120.006 120.006 120.753 -0.747 19945 10034 1 11 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.428 0.796 19945 10035 1 11 . 1 1 8 8 PHE C C 8 171.212 171.212 174.209 -2.997 19945 10036 1 11 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.080 -0.401 19945 10037 1 11 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.174 1.347 19945 10038 1 11 . 1 1 8 8 PHE H H 8 8.545 8.545 8.873 -0.328 19945 10039 1 11 . 1 1 9 9 GLY N N 9 109.650 109.650 109.592 0.058 19945 10040 1 11 . 1 1 9 9 GLY C C 9 172.512 172.512 172.676 -0.164 19945 10041 1 11 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.597 0.721 19945 10042 1 11 . 1 1 9 9 GLY H H 9 7.701 7.701 7.742 -0.041 19945 10043 1 11 . 1 1 10 10 SER N N 10 115.953 115.953 114.123 1.830 19945 10044 1 11 . 1 1 10 10 SER HA H 10 5.001 5.001 4.631 0.370 19945 10045 1 11 . 1 1 10 10 SER C C 10 173.439 173.439 172.527 0.912 19945 10046 1 11 . 1 1 10 10 SER CA C 10 58.308 58.308 57.870 0.438 19945 10047 1 11 . 1 1 10 10 SER CB C 10 66.423 66.423 66.756 -0.333 19945 10048 1 11 . 1 1 10 10 SER H H 10 8.634 8.634 8.085 0.549 19945 10049 1 11 . 1 1 11 11 ASP N N 11 104.000 104.000 119.698 -15.698 19945 10050 1 11 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.531 0.443 19945 10051 1 11 . 1 1 11 11 ASP C C 11 179.108 179.108 177.181 1.927 19945 10052 1 11 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.076 0.473 19945 10053 1 11 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.114 -1.014 19945 10054 1 11 . 1 1 11 11 ASP H H 11 11.201 11.201 8.615 2.586 19945 10055 1 11 . 1 1 12 12 THR N N 12 112.000 112.000 113.039 -1.039 19945 10056 1 11 . 1 1 12 12 THR HA H 12 4.804 4.804 4.469 0.335 19945 10057 1 11 . 1 1 12 12 THR C C 12 175.080 175.080 175.805 -0.725 19945 10058 1 11 . 1 1 12 12 THR CA C 12 60.237 60.237 62.531 -2.294 19945 10059 1 11 . 1 1 12 12 THR CB C 12 68.567 68.567 69.379 -0.812 19945 10060 1 11 . 1 1 12 12 THR H H 12 9.311 9.311 8.090 1.221 19945 10061 1 11 . 1 1 13 13 GLY N N 13 112.221 112.221 111.118 1.103 19945 10062 1 11 . 1 1 13 13 GLY C C 13 176.690 176.690 174.382 2.308 19945 10063 1 11 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.267 1.033 19945 10064 1 11 . 1 1 13 13 GLY H H 13 8.000 8.000 8.108 -0.108 19945 10065 1 11 . 1 1 14 14 ASN N N 14 128.520 128.520 117.916 10.604 19945 10066 1 11 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.667 -0.041 19945 10067 1 11 . 1 1 14 14 ASN C C 14 178.888 178.888 177.196 1.692 19945 10068 1 11 . 1 1 14 14 ASN CA C 14 57.064 57.064 54.854 2.210 19945 10069 1 11 . 1 1 14 14 ASN CB C 14 36.834 36.834 39.248 -2.413 19945 10070 1 11 . 1 1 14 14 ASN H H 14 11.112 11.112 8.110 3.002 19945 10071 1 11 . 1 1 15 15 THR N N 15 122.550 122.550 116.577 5.973 19945 10072 1 11 . 1 1 15 15 THR HA H 15 4.369 4.369 4.036 0.333 19945 10073 1 11 . 1 1 15 15 THR C C 15 176.786 176.786 175.651 1.135 19945 10074 1 11 . 1 1 15 15 THR CA C 15 67.325 67.325 66.020 1.305 19945 10075 1 11 . 1 1 15 15 THR CB C 15 67.961 67.961 68.564 -0.604 19945 10076 1 11 . 1 1 15 15 THR H H 15 11.327 11.327 8.475 2.852 19945 10077 1 11 . 1 1 16 16 GLU N N 16 120.578 120.578 120.980 -0.402 19945 10078 1 11 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.776 -0.489 19945 10079 1 11 . 1 1 16 16 GLU C C 16 176.642 176.642 177.952 -1.310 19945 10080 1 11 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.045 0.024 19945 10081 1 11 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.437 -0.060 19945 10082 1 11 . 1 1 16 16 GLU H H 16 6.590 6.590 8.175 -1.585 19945 10083 1 11 . 1 1 17 17 ASN N N 17 118.000 118.000 117.899 0.101 19945 10084 1 11 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.453 -0.143 19945 10085 1 11 . 1 1 17 17 ASN C C 17 178.255 178.255 177.255 1.000 19945 10086 1 11 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.493 0.808 19945 10087 1 11 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.294 -0.656 19945 10088 1 11 . 1 1 17 17 ASN H H 17 7.705 7.705 7.731 -0.026 19945 10089 1 11 . 1 1 18 18 ILE N N 18 119.430 119.430 120.520 -1.090 19945 10090 1 11 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.531 0.121 19945 10091 1 11 . 1 1 18 18 ILE C C 18 177.564 177.564 177.558 0.006 19945 10092 1 11 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.012 -0.512 19945 10093 1 11 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.371 -1.820 19945 10094 1 11 . 1 1 18 18 ILE H H 18 8.141 8.141 7.263 0.878 19945 10095 1 11 . 1 1 19 19 ALA N N 19 123.208 123.208 122.590 0.618 19945 10096 1 11 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.770 -0.101 19945 10097 1 11 . 1 1 19 19 ALA C C 19 178.888 178.888 179.574 -0.686 19945 10098 1 11 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.493 0.162 19945 10099 1 11 . 1 1 19 19 ALA CB C 19 18.815 18.815 17.883 0.932 19945 10100 1 11 . 1 1 19 19 ALA H H 19 8.304 8.304 7.991 0.313 19945 10101 1 11 . 1 1 20 20 LYS N N 20 116.460 116.460 118.541 -2.081 19945 10102 1 11 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.965 -0.149 19945 10103 1 11 . 1 1 20 20 LYS C C 20 179.666 179.666 179.166 0.500 19945 10104 1 11 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.267 0.555 19945 10105 1 11 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.315 -0.217 19945 10106 1 11 . 1 1 20 20 LYS H H 20 7.722 7.722 7.953 -0.231 19945 10107 1 11 . 1 1 21 21 MET N N 21 123.880 123.880 119.382 4.498 19945 10108 1 11 . 1 1 21 21 MET HA H 21 3.946 3.946 3.963 -0.017 19945 10109 1 11 . 1 1 21 21 MET C C 21 179.435 179.435 178.288 1.147 19945 10110 1 11 . 1 1 21 21 MET CA C 21 59.662 59.662 59.803 -0.141 19945 10111 1 11 . 1 1 21 21 MET CB C 21 34.262 34.262 32.545 1.717 19945 10112 1 11 . 1 1 21 21 MET H H 21 8.336 8.336 8.068 0.268 19945 10113 1 11 . 1 1 22 22 ILE N N 22 122.065 122.065 120.628 1.437 19945 10114 1 11 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.735 -0.490 19945 10115 1 11 . 1 1 22 22 ILE C C 22 177.592 177.592 178.248 -0.656 19945 10116 1 11 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.514 0.210 19945 10117 1 11 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.545 0.132 19945 10118 1 11 . 1 1 22 22 ILE H H 22 8.500 8.500 8.394 0.106 19945 10119 1 11 . 1 1 23 23 GLN N N 23 119.264 119.264 119.612 -0.348 19945 10120 1 11 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.823 -0.379 19945 10121 1 11 . 1 1 23 23 GLN C C 23 177.017 177.017 178.083 -1.066 19945 10122 1 11 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.422 0.269 19945 10123 1 11 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.584 -0.736 19945 10124 1 11 . 1 1 23 23 GLN H H 23 7.985 7.985 8.459 -0.474 19945 10125 1 11 . 1 1 24 24 LYS N N 24 118.970 118.970 119.644 -0.674 19945 10126 1 11 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.971 -0.051 19945 10127 1 11 . 1 1 24 24 LYS C C 24 178.427 178.427 179.366 -0.939 19945 10128 1 11 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.571 0.589 19945 10129 1 11 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.062 0.302 19945 10130 1 11 . 1 1 24 24 LYS H H 24 7.942 7.942 7.938 0.004 19945 10131 1 11 . 1 1 25 25 GLN N N 25 118.400 118.400 118.332 0.068 19945 10132 1 11 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.054 -0.051 19945 10133 1 11 . 1 1 25 25 GLN C C 25 178.226 178.226 178.210 0.016 19945 10134 1 11 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.219 -0.137 19945 10135 1 11 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.911 -0.001 19945 10136 1 11 . 1 1 25 25 GLN H H 25 7.636 7.636 7.842 -0.206 19945 10137 1 11 . 1 1 26 26 LEU N N 26 119.080 119.080 118.290 0.790 19945 10138 1 11 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.181 -0.162 19945 10139 1 11 . 1 1 26 26 LEU C C 26 177.247 177.247 177.836 -0.589 19945 10140 1 11 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.373 0.696 19945 10141 1 11 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.722 0.426 19945 10142 1 11 . 1 1 26 26 LEU H H 26 8.098 8.098 8.166 -0.068 19945 10143 1 11 . 1 1 27 27 GLY N N 27 107.750 107.750 105.841 1.909 19945 10144 1 11 . 1 1 27 27 GLY C C 27 175.231 175.231 174.436 0.795 19945 10145 1 11 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.465 -0.405 19945 10146 1 11 . 1 1 27 27 GLY H H 27 8.050 8.050 7.979 0.071 19945 10147 1 11 . 1 1 28 28 LYS N N 28 125.187 125.187 122.715 2.472 19945 10148 1 11 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.237 -0.014 19945 10149 1 11 . 1 1 28 28 LYS C C 28 176.372 176.372 177.217 -0.845 19945 10150 1 11 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.658 1.271 19945 10151 1 11 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.219 -0.122 19945 10152 1 11 . 1 1 28 28 LYS H H 28 8.786 8.786 8.580 0.206 19945 10153 1 11 . 1 1 29 29 ASP N N 29 115.960 115.960 115.574 0.386 19945 10154 1 11 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.560 0.015 19945 10155 1 11 . 1 1 29 29 ASP C C 29 176.437 176.437 177.582 -1.145 19945 10156 1 11 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.273 -1.063 19945 10157 1 11 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.775 -0.973 19945 10158 1 11 . 1 1 29 29 ASP H H 29 8.919 8.919 8.398 0.521 19945 10159 1 11 . 1 1 30 30 VAL N N 30 120.609 120.609 118.770 1.839 19945 10160 1 11 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.036 0.020 19945 10161 1 11 . 1 1 30 30 VAL C C 30 174.656 174.656 174.746 -0.090 19945 10162 1 11 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.511 0.209 19945 10163 1 11 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.903 -0.065 19945 10164 1 11 . 1 1 30 30 VAL H H 30 7.573 7.573 7.528 0.045 19945 10165 1 11 . 1 1 31 31 ALA N N 31 123.100 123.100 119.446 3.654 19945 10166 1 11 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.166 0.365 19945 10167 1 11 . 1 1 31 31 ALA C C 31 175.174 175.174 174.804 0.370 19945 10168 1 11 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.313 -0.151 19945 10169 1 11 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.311 1.020 19945 10170 1 11 . 1 1 31 31 ALA H H 31 7.951 7.951 8.058 -0.107 19945 10171 1 11 . 1 1 32 32 ASP N N 32 121.576 121.576 120.564 1.012 19945 10172 1 11 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.991 -0.122 19945 10173 1 11 . 1 1 32 32 ASP C C 32 174.771 174.771 174.166 0.605 19945 10174 1 11 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.129 0.283 19945 10175 1 11 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.027 -1.240 19945 10176 1 11 . 1 1 32 32 ASP H H 32 8.175 8.175 8.518 -0.343 19945 10177 1 11 . 1 1 33 33 VAL N N 33 120.428 120.428 122.828 -2.400 19945 10178 1 11 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.931 -0.274 19945 10179 1 11 . 1 1 33 33 VAL C C 33 174.252 174.252 175.469 -1.217 19945 10180 1 11 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.046 0.257 19945 10181 1 11 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.260 -0.384 19945 10182 1 11 . 1 1 33 33 VAL H H 33 8.397 8.397 8.312 0.086 19945 10183 1 11 . 1 1 34 34 HIS N N 34 125.285 125.285 124.723 0.562 19945 10184 1 11 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.793 -0.240 19945 10185 1 11 . 1 1 34 34 HIS C C 34 171.920 171.920 172.809 -0.889 19945 10186 1 11 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.340 -0.769 19945 10187 1 11 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.058 -0.638 19945 10188 1 11 . 1 1 34 34 HIS H H 34 8.945 8.945 9.310 -0.365 19945 10189 1 11 . 1 1 35 35 ASP N N 35 124.120 124.120 119.464 4.656 19945 10190 1 11 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.941 -1.644 19945 10191 1 11 . 1 1 35 35 ASP C C 35 179.780 179.780 176.778 3.002 19945 10192 1 11 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.139 -0.383 19945 10193 1 11 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.163 -1.766 19945 10194 1 11 . 1 1 35 35 ASP H H 35 8.589 8.589 8.618 -0.029 19945 10195 1 11 . 1 1 36 36 ILE N N 36 106.681 106.681 126.857 -20.176 19945 10196 1 11 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.550 0.004 19945 10197 1 11 . 1 1 36 36 ILE C C 36 175.404 175.404 177.242 -1.838 19945 10198 1 11 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.692 -3.342 19945 10199 1 11 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.255 2.016 19945 10200 1 11 . 1 1 36 36 ILE H H 36 9.705 9.705 8.974 0.731 19945 10201 1 11 . 1 1 37 37 ALA N N 37 123.095 123.095 123.836 -0.741 19945 10202 1 11 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.000 0.089 19945 10203 1 11 . 1 1 37 37 ALA C C 37 178.140 178.140 178.399 -0.259 19945 10204 1 11 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.906 -1.290 19945 10205 1 11 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.658 0.688 19945 10206 1 11 . 1 1 37 37 ALA H H 37 8.261 8.261 8.613 -0.352 19945 10207 1 11 . 1 1 38 38 LYS N N 38 115.312 115.312 116.843 -1.531 19945 10208 1 11 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.414 0.197 19945 10209 1 11 . 1 1 38 38 LYS C C 38 176.498 176.498 176.715 -0.217 19945 10210 1 11 . 1 1 38 38 LYS CA C 38 54.147 54.147 55.553 -1.406 19945 10211 1 11 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.529 0.897 19945 10212 1 11 . 1 1 38 38 LYS H H 38 7.437 7.437 7.809 -0.372 19945 10213 1 11 . 1 1 39 39 SER N N 39 115.623 115.623 117.380 -1.757 19945 10214 1 11 . 1 1 39 39 SER HA H 39 5.019 5.019 4.588 0.431 19945 10215 1 11 . 1 1 39 39 SER C C 39 171.402 171.402 174.250 -2.848 19945 10216 1 11 . 1 1 39 39 SER CA C 39 58.929 58.929 58.950 -0.021 19945 10217 1 11 . 1 1 39 39 SER CB C 39 65.538 65.538 64.261 1.276 19945 10218 1 11 . 1 1 39 39 SER H H 39 7.051 7.051 7.663 -0.612 19945 10219 1 11 . 1 1 40 40 SER N N 40 118.860 118.860 116.168 2.692 19945 10220 1 11 . 1 1 40 40 SER HA H 40 5.025 5.025 4.952 0.073 19945 10221 1 11 . 1 1 40 40 SER C C 40 174.741 174.741 175.474 -0.733 19945 10222 1 11 . 1 1 40 40 SER CA C 40 56.003 56.003 56.934 -0.931 19945 10223 1 11 . 1 1 40 40 SER CB C 40 67.416 67.416 64.991 2.425 19945 10224 1 11 . 1 1 40 40 SER H H 40 9.377 9.377 8.219 1.158 19945 10225 1 11 . 1 1 41 41 LYS N N 41 122.504 122.504 121.397 1.107 19945 10226 1 11 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.987 -0.249 19945 10227 1 11 . 1 1 41 41 LYS C C 41 177.391 177.391 177.715 -0.324 19945 10228 1 11 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.508 1.465 19945 10229 1 11 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.263 1.044 19945 10230 1 11 . 1 1 41 41 LYS H H 41 9.098 9.098 8.802 0.296 19945 10231 1 11 . 1 1 42 42 GLU N N 42 115.836 115.836 115.092 0.744 19945 10232 1 11 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.367 -0.239 19945 10233 1 11 . 1 1 42 42 GLU C C 42 178.773 178.773 177.002 1.771 19945 10234 1 11 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.486 2.506 19945 10235 1 11 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.460 -0.816 19945 10236 1 11 . 1 1 42 42 GLU H H 42 8.839 8.839 8.294 0.545 19945 10237 1 11 . 1 1 43 43 ASP N N 43 119.589 119.589 121.229 -1.640 19945 10238 1 11 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.469 0.017 19945 10239 1 11 . 1 1 43 43 ASP C C 43 177.564 177.564 177.497 0.067 19945 10240 1 11 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.437 1.164 19945 10241 1 11 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.823 -0.017 19945 10242 1 11 . 1 1 43 43 ASP H H 43 7.794 7.794 7.863 -0.069 19945 10243 1 11 . 1 1 44 44 LEU N N 44 118.745 118.745 118.247 0.498 19945 10244 1 11 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.357 -0.386 19945 10245 1 11 . 1 1 44 44 LEU C C 44 178.600 178.600 178.856 -0.256 19945 10246 1 11 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.423 2.459 19945 10247 1 11 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.300 0.424 19945 10248 1 11 . 1 1 44 44 LEU H H 44 6.854 6.854 7.906 -1.052 19945 10249 1 11 . 1 1 45 45 GLU N N 45 114.280 114.280 119.347 -5.067 19945 10250 1 11 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.020 -0.393 19945 10251 1 11 . 1 1 45 45 GLU C C 45 176.988 176.988 178.027 -1.039 19945 10252 1 11 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.844 -0.169 19945 10253 1 11 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.058 1.180 19945 10254 1 11 . 1 1 45 45 GLU H H 45 7.571 7.571 8.263 -0.692 19945 10255 1 11 . 1 1 46 46 ALA N N 46 118.860 118.860 121.516 -2.656 19945 10256 1 11 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.017 0.021 19945 10257 1 11 . 1 1 46 46 ALA C C 46 176.901 176.901 177.796 -0.895 19945 10258 1 11 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.410 -0.090 19945 10259 1 11 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.752 0.329 19945 10260 1 11 . 1 1 46 46 ALA H H 46 7.026 7.026 7.501 -0.475 19945 10261 1 11 . 1 1 47 47 TYR N N 47 115.674 115.674 115.743 -0.069 19945 10262 1 11 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.601 0.130 19945 10263 1 11 . 1 1 47 47 TYR C C 47 175.807 175.807 175.692 0.115 19945 10264 1 11 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.624 -1.017 19945 10265 1 11 . 1 1 47 47 TYR CB C 47 41.662 41.662 40.329 1.333 19945 10266 1 11 . 1 1 47 47 TYR H H 47 7.277 7.277 7.445 -0.168 19945 10267 1 11 . 1 1 48 48 ASP N N 48 121.598 121.598 120.676 0.922 19945 10268 1 11 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.945 -0.037 19945 10269 1 11 . 1 1 48 48 ASP C C 48 175.030 175.030 175.578 -0.548 19945 10270 1 11 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.677 0.531 19945 10271 1 11 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.833 -1.187 19945 10272 1 11 . 1 1 48 48 ASP H H 48 9.546 9.546 8.457 1.089 19945 10273 1 11 . 1 1 49 49 ILE N N 49 119.608 119.608 119.109 0.499 19945 10274 1 11 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.178 0.116 19945 10275 1 11 . 1 1 49 49 ILE C C 49 175.059 175.059 174.757 0.302 19945 10276 1 11 . 1 1 49 49 ILE CA C 49 60.530 60.530 58.582 1.948 19945 10277 1 11 . 1 1 49 49 ILE CB C 49 40.068 40.068 38.737 1.331 19945 10278 1 11 . 1 1 49 49 ILE H H 49 7.331 7.331 8.302 -0.971 19945 10279 1 11 . 1 1 50 50 LEU N N 50 127.901 127.901 125.893 2.008 19945 10280 1 11 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.273 0.387 19945 10281 1 11 . 1 1 50 50 LEU C C 50 174.598 174.598 175.131 -0.533 19945 10282 1 11 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.759 -0.940 19945 10283 1 11 . 1 1 50 50 LEU CB C 50 48.037 48.037 45.788 2.249 19945 10284 1 11 . 1 1 50 50 LEU H H 50 9.095 9.095 8.940 0.155 19945 10285 1 11 . 1 1 51 51 LEU N N 51 123.440 123.440 124.621 -1.181 19945 10286 1 11 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.377 0.655 19945 10287 1 11 . 1 1 51 51 LEU C C 51 175.894 175.894 175.407 0.487 19945 10288 1 11 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.131 -0.820 19945 10289 1 11 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.585 -0.267 19945 10290 1 11 . 1 1 51 51 LEU H H 51 9.275 9.275 9.237 0.038 19945 10291 1 11 . 1 1 52 52 LEU N N 52 123.320 123.320 125.502 -2.182 19945 10292 1 11 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.453 0.203 19945 10293 1 11 . 1 1 52 52 LEU C C 52 173.763 173.763 176.148 -2.385 19945 10294 1 11 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.344 -0.467 19945 10295 1 11 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.281 -1.795 19945 10296 1 11 . 1 1 52 52 LEU H H 52 9.024 9.024 9.095 -0.071 19945 10297 1 11 . 1 1 53 53 GLY N N 53 110.739 110.739 112.377 -1.638 19945 10298 1 11 . 1 1 53 53 GLY C C 53 174.530 174.530 171.605 2.925 19945 10299 1 11 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.160 -0.171 19945 10300 1 11 . 1 1 53 53 GLY H H 53 9.283 9.283 9.174 0.109 19945 10301 1 11 . 1 1 54 54 ILE N N 54 126.032 126.032 124.779 1.253 19945 10302 1 11 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.043 1.163 19945 10303 1 11 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.691 -0.684 19945 10304 1 11 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.941 1.049 19945 10305 1 11 . 1 1 54 54 ILE H H 54 9.136 9.136 8.376 0.760 19945 10306 1 11 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.990 0.327 19945 10307 1 11 . 1 1 55 55 PRO C C 55 174.771 174.771 176.298 -1.527 19945 10308 1 11 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.915 -0.167 19945 10309 1 11 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.046 -0.032 19945 10310 1 11 . 1 1 56 56 THR N N 56 113.710 113.710 118.589 -4.879 19945 10311 1 11 . 1 1 56 56 THR HA H 56 4.582 4.582 4.888 -0.306 19945 10312 1 11 . 1 1 56 56 THR C C 56 171.719 171.719 173.801 -2.082 19945 10313 1 11 . 1 1 56 56 THR CA C 56 62.383 62.383 63.362 -0.979 19945 10314 1 11 . 1 1 56 56 THR CB C 56 69.692 69.692 70.386 -0.694 19945 10315 1 11 . 1 1 56 56 THR H H 56 6.599 6.599 8.149 -1.550 19945 10316 1 11 . 1 1 57 57 TRP N N 57 130.050 130.050 126.083 3.967 19945 10317 1 11 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.467 -1.841 19945 10318 1 11 . 1 1 57 57 TRP C C 57 172.611 172.611 175.348 -2.737 19945 10319 1 11 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.056 -0.781 19945 10320 1 11 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.067 2.687 19945 10321 1 11 . 1 1 57 57 TRP H H 57 8.865 8.865 8.811 0.054 19945 10322 1 11 . 1 1 58 58 TYR N N 58 112.793 112.793 114.894 -2.101 19945 10323 1 11 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.674 0.542 19945 10324 1 11 . 1 1 58 58 TYR C C 58 173.619 173.619 174.886 -1.267 19945 10325 1 11 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.422 -1.222 19945 10326 1 11 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.743 -0.543 19945 10327 1 11 . 1 1 58 58 TYR H H 58 5.730 5.730 8.048 -2.318 19945 10328 1 11 . 1 1 59 59 TYR N N 59 112.220 112.220 118.527 -6.307 19945 10329 1 11 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.314 -0.919 19945 10330 1 11 . 1 1 59 59 TYR C C 59 175.865 175.865 174.701 1.164 19945 10331 1 11 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.359 2.101 19945 10332 1 11 . 1 1 59 59 TYR CB C 59 33.610 33.610 38.775 -5.165 19945 10333 1 11 . 1 1 59 59 TYR H H 59 7.661 7.661 7.829 -0.168 19945 10334 1 11 . 1 1 60 60 GLY N N 60 104.550 104.550 108.548 -3.998 19945 10335 1 11 . 1 1 60 60 GLY C C 60 174.483 174.483 174.480 0.003 19945 10336 1 11 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.606 0.572 19945 10337 1 11 . 1 1 60 60 GLY H H 60 8.142 8.142 7.634 0.508 19945 10338 1 11 . 1 1 61 61 GLU N N 61 120.991 120.991 118.499 2.492 19945 10339 1 11 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.858 -0.420 19945 10340 1 11 . 1 1 61 61 GLU C C 61 175.548 175.548 175.224 0.324 19945 10341 1 11 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.285 1.191 19945 10342 1 11 . 1 1 61 61 GLU CB C 61 30.500 30.500 34.137 -3.637 19945 10343 1 11 . 1 1 61 61 GLU H H 61 8.307 8.307 8.093 0.214 19945 10344 1 11 . 1 1 62 62 ALA N N 62 122.750 122.750 123.166 -0.416 19945 10345 1 11 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.530 -0.324 19945 10346 1 11 . 1 1 62 62 ALA C C 62 176.671 176.671 177.681 -1.010 19945 10347 1 11 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.921 -0.111 19945 10348 1 11 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.001 1.205 19945 10349 1 11 . 1 1 62 62 ALA H H 62 8.722 8.722 8.616 0.106 19945 10350 1 11 . 1 1 63 63 GLN N N 63 120.579 120.579 117.783 2.796 19945 10351 1 11 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.416 -0.530 19945 10352 1 11 . 1 1 63 63 GLN C C 63 176.757 176.757 177.453 -0.696 19945 10353 1 11 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.470 2.139 19945 10354 1 11 . 1 1 63 63 GLN H H 63 6.302 6.302 8.593 -2.291 19945 10355 1 11 . 1 1 64 64 CYS N N 64 125.487 125.487 121.653 3.834 19945 10356 1 11 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.037 0.074 19945 10357 1 11 . 1 1 64 64 CYS C C 64 174.972 174.972 176.524 -1.552 19945 10358 1 11 . 1 1 64 64 CYS CA C 64 61.489 61.489 63.166 -1.677 19945 10359 1 11 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.657 -0.075 19945 10360 1 11 . 1 1 64 64 CYS H H 64 9.091 9.091 9.172 -0.081 19945 10361 1 11 . 1 1 65 65 ASP N N 65 120.298 120.298 119.546 0.752 19945 10362 1 11 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.402 -0.003 19945 10363 1 11 . 1 1 65 65 ASP C C 65 179.000 179.000 178.351 0.649 19945 10364 1 11 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.886 0.246 19945 10365 1 11 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.424 0.799 19945 10366 1 11 . 1 1 65 65 ASP H H 65 7.093 7.093 8.586 -1.493 19945 10367 1 11 . 1 1 66 66 TRP N N 66 122.608 122.608 120.477 2.131 19945 10368 1 11 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.164 0.052 19945 10369 1 11 . 1 1 66 66 TRP C C 66 176.930 176.930 177.694 -0.764 19945 10370 1 11 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.732 1.791 19945 10371 1 11 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.527 0.434 19945 10372 1 11 . 1 1 66 66 TRP H H 66 7.394 7.394 7.620 -0.226 19945 10373 1 11 . 1 1 67 67 ASP N N 67 118.860 118.860 118.485 0.375 19945 10374 1 11 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.638 -0.113 19945 10375 1 11 . 1 1 67 67 ASP C C 67 179.579 179.579 177.662 1.917 19945 10376 1 11 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.947 0.394 19945 10377 1 11 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.703 1.697 19945 10378 1 11 . 1 1 67 67 ASP H H 67 8.087 8.087 7.955 0.132 19945 10379 1 11 . 1 1 68 68 ASP N N 68 116.220 116.220 118.539 -2.319 19945 10380 1 11 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.440 -0.084 19945 10381 1 11 . 1 1 68 68 ASP C C 68 176.873 176.873 176.980 -0.107 19945 10382 1 11 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.017 0.238 19945 10383 1 11 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.150 -0.343 19945 10384 1 11 . 1 1 68 68 ASP H H 68 8.056 8.056 8.002 0.054 19945 10385 1 11 . 1 1 69 69 PHE N N 69 120.493 120.493 117.889 2.604 19945 10386 1 11 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.380 -0.017 19945 10387 1 11 . 1 1 69 69 PHE C C 69 177.103 177.103 176.201 0.902 19945 10388 1 11 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.222 -0.293 19945 10389 1 11 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.202 1.328 19945 10390 1 11 . 1 1 69 69 PHE H H 69 7.659 7.659 7.429 0.230 19945 10391 1 11 . 1 1 70 70 PHE N N 70 122.293 122.293 120.019 2.274 19945 10392 1 11 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.239 0.779 19945 10393 1 11 . 1 1 70 70 PHE C C 70 174.396 174.396 174.628 -0.232 19945 10394 1 11 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.371 -2.248 19945 10395 1 11 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.426 -0.671 19945 10396 1 11 . 1 1 70 70 PHE H H 70 8.197 8.197 8.313 -0.116 19945 10397 1 11 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.516 -0.118 19945 10398 1 11 . 1 1 71 71 PRO C C 71 179.118 179.118 177.307 1.811 19945 10399 1 11 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.094 1.273 19945 10400 1 11 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.156 -0.226 19945 10401 1 11 . 1 1 72 72 THR N N 72 114.461 114.461 114.279 0.182 19945 10402 1 11 . 1 1 72 72 THR HA H 72 3.816 3.816 3.978 -0.162 19945 10403 1 11 . 1 1 72 72 THR C C 72 176.498 176.498 176.307 0.191 19945 10404 1 11 . 1 1 72 72 THR CA C 72 65.803 65.803 65.766 0.037 19945 10405 1 11 . 1 1 72 72 THR CB C 72 67.203 67.203 68.169 -0.966 19945 10406 1 11 . 1 1 72 72 THR H H 72 7.534 7.534 7.621 -0.087 19945 10407 1 11 . 1 1 73 73 LEU N N 73 124.812 124.812 122.864 1.948 19945 10408 1 11 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.108 -0.018 19945 10409 1 11 . 1 1 73 73 LEU C C 73 177.996 177.996 177.416 0.580 19945 10410 1 11 . 1 1 73 73 LEU CA C 73 58.151 58.151 57.878 0.273 19945 10411 1 11 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.019 1.767 19945 10412 1 11 . 1 1 73 73 LEU H H 73 8.123 8.123 8.050 0.073 19945 10413 1 11 . 1 1 74 74 GLU N N 74 111.877 111.877 114.647 -2.770 19945 10414 1 11 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.221 -0.396 19945 10415 1 11 . 1 1 74 74 GLU C C 74 176.930 176.930 177.331 -0.401 19945 10416 1 11 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.029 -0.354 19945 10417 1 11 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.445 0.577 19945 10418 1 11 . 1 1 74 74 GLU H H 74 7.933 7.933 7.702 0.231 19945 10419 1 11 . 1 1 75 75 GLU N N 75 116.571 116.571 118.708 -2.137 19945 10420 1 11 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.244 0.103 19945 10421 1 11 . 1 1 75 75 GLU C C 75 177.045 177.045 177.151 -0.106 19945 10422 1 11 . 1 1 75 75 GLU CA C 75 56.026 56.026 57.152 -1.126 19945 10423 1 11 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.515 -0.005 19945 10424 1 11 . 1 1 75 75 GLU H H 75 7.659 7.659 7.747 -0.088 19945 10425 1 11 . 1 1 76 76 ILE N N 76 123.080 123.080 120.629 2.451 19945 10426 1 11 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.634 0.143 19945 10427 1 11 . 1 1 76 76 ILE C C 76 174.656 174.656 174.441 0.215 19945 10428 1 11 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.750 -0.676 19945 10429 1 11 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.331 0.674 19945 10430 1 11 . 1 1 76 76 ILE H H 76 7.468 7.468 7.224 0.244 19945 10431 1 11 . 1 1 77 77 ASP N N 77 126.540 126.540 124.500 2.040 19945 10432 1 11 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.495 0.318 19945 10433 1 11 . 1 1 77 77 ASP C C 77 176.614 176.614 174.793 1.821 19945 10434 1 11 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.370 -0.230 19945 10435 1 11 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.493 -1.628 19945 10436 1 11 . 1 1 77 77 ASP H H 77 8.605 8.605 7.922 0.683 19945 10437 1 11 . 1 1 78 78 PHE N N 78 124.583 124.583 121.667 2.916 19945 10438 1 11 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.692 -0.532 19945 10439 1 11 . 1 1 78 78 PHE C C 78 175.347 175.347 175.364 -0.017 19945 10440 1 11 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.456 2.687 19945 10441 1 11 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.888 0.280 19945 10442 1 11 . 1 1 78 78 PHE H H 78 8.053 8.053 7.989 0.064 19945 10443 1 11 . 1 1 79 79 ASN N N 79 121.321 121.321 120.639 0.682 19945 10444 1 11 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.516 0.001 19945 10445 1 11 . 1 1 79 79 ASN C C 79 176.815 176.815 176.653 0.162 19945 10446 1 11 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.289 1.163 19945 10447 1 11 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.189 0.550 19945 10448 1 11 . 1 1 79 79 ASN H H 79 8.695 8.695 8.490 0.205 19945 10449 1 11 . 1 1 80 80 GLY N N 80 114.150 114.150 113.624 0.526 19945 10450 1 11 . 1 1 80 80 GLY C C 80 174.195 174.195 174.440 -0.245 19945 10451 1 11 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.503 0.143 19945 10452 1 11 . 1 1 80 80 GLY H H 80 8.646 8.646 8.405 0.241 19945 10453 1 11 . 1 1 81 81 LYS N N 81 119.318 119.318 120.855 -1.537 19945 10454 1 11 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.418 0.619 19945 10455 1 11 . 1 1 81 81 LYS C C 81 176.268 176.268 175.719 0.549 19945 10456 1 11 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.654 -0.658 19945 10457 1 11 . 1 1 81 81 LYS CB C 81 33.955 33.955 34.059 -0.104 19945 10458 1 11 . 1 1 81 81 LYS H H 81 8.295 8.295 7.905 0.390 19945 10459 1 11 . 1 1 82 82 LEU N N 82 127.000 127.000 123.440 3.560 19945 10460 1 11 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.007 0.223 19945 10461 1 11 . 1 1 82 82 LEU C C 82 175.347 175.347 175.907 -0.560 19945 10462 1 11 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.209 -0.405 19945 10463 1 11 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.561 0.590 19945 10464 1 11 . 1 1 82 82 LEU H H 82 8.407 8.407 8.606 -0.199 19945 10465 1 11 . 1 1 83 83 VAL N N 83 121.665 121.665 121.808 -0.143 19945 10466 1 11 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.314 0.526 19945 10467 1 11 . 1 1 83 83 VAL C C 83 173.417 173.417 174.108 -0.691 19945 10468 1 11 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.028 -0.826 19945 10469 1 11 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.912 0.436 19945 10470 1 11 . 1 1 83 83 VAL H H 83 8.960 8.960 9.147 -0.187 19945 10471 1 11 . 1 1 84 84 ALA N N 84 128.017 128.017 126.575 1.442 19945 10472 1 11 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.584 -0.251 19945 10473 1 11 . 1 1 84 84 ALA C C 84 175.231 175.231 175.576 -0.345 19945 10474 1 11 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.965 0.463 19945 10475 1 11 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.195 0.933 19945 10476 1 11 . 1 1 84 84 ALA H H 84 9.021 9.021 9.000 0.021 19945 10477 1 11 . 1 1 85 85 LEU N N 85 124.220 124.220 120.381 3.839 19945 10478 1 11 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.575 0.037 19945 10479 1 11 . 1 1 85 85 LEU C C 85 174.454 174.454 175.966 -1.512 19945 10480 1 11 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.131 -0.158 19945 10481 1 11 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.127 0.785 19945 10482 1 11 . 1 1 85 85 LEU H H 85 11.134 11.134 8.898 2.236 19945 10483 1 11 . 1 1 86 86 PHE N N 86 114.461 114.461 116.887 -2.426 19945 10484 1 11 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.309 -0.087 19945 10485 1 11 . 1 1 86 86 PHE C C 86 173.619 173.619 173.879 -0.260 19945 10486 1 11 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.404 -0.726 19945 10487 1 11 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.000 0.980 19945 10488 1 11 . 1 1 86 86 PHE H H 86 8.829 8.829 8.725 0.104 19945 10489 1 11 . 1 1 87 87 GLY N N 87 104.437 104.437 105.409 -0.972 19945 10490 1 11 . 1 1 87 87 GLY C C 87 170.423 170.423 171.611 -1.188 19945 10491 1 11 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.616 0.314 19945 10492 1 11 . 1 1 87 87 GLY H H 87 8.496 8.496 8.797 -0.301 19945 10493 1 11 . 1 1 88 88 CYS N N 88 114.166 114.166 118.679 -4.513 19945 10494 1 11 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.766 1.237 19945 10495 1 11 . 1 1 88 88 CYS C C 88 174.425 174.425 172.936 1.489 19945 10496 1 11 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.898 -1.360 19945 10497 1 11 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.075 1.226 19945 10498 1 11 . 1 1 88 88 CYS H H 88 5.354 5.354 7.852 -2.498 19945 10499 1 11 . 1 1 89 89 GLY N N 89 109.463 109.463 110.578 -1.115 19945 10500 1 11 . 1 1 89 89 GLY C C 89 173.187 173.187 172.179 1.008 19945 10501 1 11 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.685 1.758 19945 10502 1 11 . 1 1 89 89 GLY H H 89 8.404 8.404 8.372 0.032 19945 10503 1 11 . 1 1 90 90 ASP N N 90 123.090 123.090 119.990 3.100 19945 10504 1 11 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.948 0.851 19945 10505 1 11 . 1 1 90 90 ASP C C 90 176.095 176.095 175.723 0.372 19945 10506 1 11 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.128 -0.575 19945 10507 1 11 . 1 1 90 90 ASP CB C 90 43.255 43.255 41.477 1.778 19945 10508 1 11 . 1 1 90 90 ASP H H 90 8.698 8.698 8.377 0.321 19945 10509 1 11 . 1 1 91 91 GLN N N 91 123.780 123.780 126.383 -2.603 19945 10510 1 11 . 1 1 91 91 GLN HA H 91 3.696 3.696 3.957 -0.261 19945 10511 1 11 . 1 1 91 91 GLN C C 91 173.639 173.639 176.001 -2.362 19945 10512 1 11 . 1 1 91 91 GLN CA C 91 57.060 57.060 57.212 -0.152 19945 10513 1 11 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.935 0.506 19945 10514 1 11 . 1 1 91 91 GLN H H 91 9.675 9.675 8.377 1.298 19945 10515 1 11 . 1 1 92 92 GLU N N 92 118.631 118.631 119.049 -0.418 19945 10516 1 11 . 1 1 92 92 GLU HA H 92 4.591 4.591 3.870 0.721 19945 10517 1 11 . 1 1 92 92 GLU C C 92 177.247 177.247 178.376 -1.129 19945 10518 1 11 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.764 -0.428 19945 10519 1 11 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.032 0.738 19945 10520 1 11 . 1 1 92 92 GLU H H 92 8.396 8.396 8.379 0.017 19945 10521 1 11 . 1 1 93 93 ASP N N 93 120.889 120.889 120.423 0.466 19945 10522 1 11 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.429 -0.147 19945 10523 1 11 . 1 1 93 93 ASP C C 93 175.986 175.986 176.670 -0.684 19945 10524 1 11 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.861 -0.436 19945 10525 1 11 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.721 -1.471 19945 10526 1 11 . 1 1 93 93 ASP H H 93 7.779 7.779 8.728 -0.949 19945 10527 1 11 . 1 1 94 94 TYR N N 94 117.028 117.028 118.849 -1.821 19945 10528 1 11 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.949 -0.264 19945 10529 1 11 . 1 1 94 94 TYR C C 94 175.519 175.519 175.524 -0.005 19945 10530 1 11 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.527 -0.148 19945 10531 1 11 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.984 -1.142 19945 10532 1 11 . 1 1 94 94 TYR H H 94 6.693 6.693 7.670 -0.977 19945 10533 1 11 . 1 1 95 95 ALA N N 95 121.950 121.950 123.737 -1.787 19945 10534 1 11 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.319 -0.163 19945 10535 1 11 . 1 1 95 95 ALA C C 95 179.723 179.723 178.138 1.585 19945 10536 1 11 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.890 1.033 19945 10537 1 11 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.837 1.718 19945 10538 1 11 . 1 1 95 95 ALA H H 95 6.962 6.962 8.466 -1.504 19945 10539 1 11 . 1 1 96 96 GLU N N 96 115.884 115.884 115.053 0.831 19945 10540 1 11 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.606 -0.300 19945 10541 1 11 . 1 1 96 96 GLU C C 96 174.684 174.684 175.924 -1.240 19945 10542 1 11 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.748 0.237 19945 10543 1 11 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.469 -0.293 19945 10544 1 11 . 1 1 96 96 GLU H H 96 9.327 9.327 8.768 0.559 19945 10545 1 11 . 1 1 97 97 TYR N N 97 121.836 121.836 117.173 4.663 19945 10546 1 11 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.770 0.639 19945 10547 1 11 . 1 1 97 97 TYR C C 97 179.953 179.953 174.512 5.441 19945 10548 1 11 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.405 0.037 19945 10549 1 11 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.157 2.135 19945 10550 1 11 . 1 1 97 97 TYR H H 97 8.175 8.175 7.990 0.185 19945 10551 1 11 . 1 1 98 98 PHE N N 98 124.580 124.580 123.871 0.709 19945 10552 1 11 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.604 0.533 19945 10553 1 11 . 1 1 98 98 PHE C C 98 174.742 174.742 176.022 -1.280 19945 10554 1 11 . 1 1 98 98 PHE CA C 98 58.663 58.663 60.321 -1.658 19945 10555 1 11 . 1 1 98 98 PHE CB C 98 38.655 38.655 40.126 -1.471 19945 10556 1 11 . 1 1 98 98 PHE H H 98 7.889 7.889 7.836 0.053 19945 10557 1 11 . 1 1 99 99 CYS N N 99 120.329 120.329 122.907 -2.578 19945 10558 1 11 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.713 -0.061 19945 10559 1 11 . 1 1 99 99 CYS C C 99 175.087 175.087 175.453 -0.366 19945 10560 1 11 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.332 2.544 19945 10561 1 11 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.449 -1.449 19945 10562 1 11 . 1 1 99 99 CYS H H 99 8.617 8.617 8.507 0.110 19945 10563 1 11 . 1 1 100 100 ASP N N 100 116.705 116.705 121.739 -5.034 19945 10564 1 11 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.382 -0.437 19945 10565 1 11 . 1 1 100 100 ASP C C 100 178.888 178.888 177.156 1.732 19945 10566 1 11 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.315 0.813 19945 10567 1 11 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.339 0.611 19945 10568 1 11 . 1 1 100 100 ASP H H 100 7.104 7.104 7.866 -0.762 19945 10569 1 11 . 1 1 101 101 ALA N N 101 118.631 118.631 120.779 -2.148 19945 10570 1 11 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.274 -0.123 19945 10571 1 11 . 1 1 101 101 ALA C C 101 178.600 178.600 179.030 -0.430 19945 10572 1 11 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.264 0.133 19945 10573 1 11 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.737 0.073 19945 10574 1 11 . 1 1 101 101 ALA H H 101 8.716 8.716 7.717 0.999 19945 10575 1 11 . 1 1 102 102 LEU N N 102 115.083 115.083 119.234 -4.151 19945 10576 1 11 . 1 1 102 102 LEU HA H 102 3.614 3.614 4.023 -0.409 19945 10577 1 11 . 1 1 102 102 LEU C C 102 179.573 179.573 179.129 0.444 19945 10578 1 11 . 1 1 102 102 LEU CA C 102 57.844 57.844 58.291 -0.447 19945 10579 1 11 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.481 1.233 19945 10580 1 11 . 1 1 102 102 LEU H H 102 7.171 7.171 7.532 -0.361 19945 10581 1 11 . 1 1 103 103 GLY N N 103 104.501 104.501 105.633 -1.132 19945 10582 1 11 . 1 1 103 103 GLY C C 103 175.145 175.145 175.648 -0.503 19945 10583 1 11 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.597 -0.889 19945 10584 1 11 . 1 1 103 103 GLY H H 103 7.365 7.365 8.153 -0.788 19945 10585 1 11 . 1 1 104 104 THR N N 104 118.860 118.860 118.955 -0.095 19945 10586 1 11 . 1 1 104 104 THR HA H 104 3.737 3.737 3.916 -0.179 19945 10587 1 11 . 1 1 104 104 THR C C 104 176.354 176.354 176.372 -0.018 19945 10588 1 11 . 1 1 104 104 THR CA C 104 65.799 65.799 67.207 -1.408 19945 10589 1 11 . 1 1 104 104 THR CB C 104 67.961 67.961 68.442 -0.481 19945 10590 1 11 . 1 1 104 104 THR H H 104 7.343 7.343 7.406 -0.063 19945 10591 1 11 . 1 1 105 105 ILE N N 105 118.663 118.663 121.315 -2.652 19945 10592 1 11 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.436 0.068 19945 10593 1 11 . 1 1 105 105 ILE C C 105 177.391 177.391 177.258 0.133 19945 10594 1 11 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.844 0.706 19945 10595 1 11 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.362 0.388 19945 10596 1 11 . 1 1 105 105 ILE H H 105 7.589 7.589 7.438 0.151 19945 10597 1 11 . 1 1 106 106 ARG N N 106 126.041 126.041 120.659 5.382 19945 10598 1 11 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.835 -0.255 19945 10599 1 11 . 1 1 106 106 ARG C C 106 176.614 176.614 178.004 -1.390 19945 10600 1 11 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.248 0.019 19945 10601 1 11 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.989 -2.673 19945 10602 1 11 . 1 1 106 106 ARG H H 106 7.307 7.307 7.917 -0.610 19945 10603 1 11 . 1 1 107 107 ASP N N 107 117.480 117.480 118.553 -1.073 19945 10604 1 11 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.439 -0.091 19945 10605 1 11 . 1 1 107 107 ASP C C 107 177.189 177.189 177.756 -0.567 19945 10606 1 11 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.779 -0.279 19945 10607 1 11 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.664 -0.990 19945 10608 1 11 . 1 1 107 107 ASP H H 107 8.202 8.202 8.172 0.030 19945 10609 1 11 . 1 1 108 108 ILE N N 108 117.715 117.715 118.138 -0.423 19945 10610 1 11 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.911 -0.055 19945 10611 1 11 . 1 1 108 108 ILE C C 108 178.427 178.427 177.662 0.765 19945 10612 1 11 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.646 0.331 19945 10613 1 11 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.883 0.568 19945 10614 1 11 . 1 1 108 108 ILE H H 108 7.107 7.107 7.286 -0.179 19945 10615 1 11 . 1 1 109 109 ILE N N 109 111.534 111.534 117.023 -5.489 19945 10616 1 11 . 1 1 109 109 ILE HA H 109 3.735 3.735 4.060 -0.325 19945 10617 1 11 . 1 1 109 109 ILE C C 109 177.305 177.305 177.115 0.190 19945 10618 1 11 . 1 1 109 109 ILE CA C 109 64.605 64.605 63.769 0.836 19945 10619 1 11 . 1 1 109 109 ILE CB C 109 37.411 37.411 38.070 -0.659 19945 10620 1 11 . 1 1 109 109 ILE H H 109 7.501 7.501 8.354 -0.853 19945 10621 1 11 . 1 1 110 110 GLU N N 110 127.123 127.123 123.167 3.956 19945 10622 1 11 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.314 -0.016 19945 10623 1 11 . 1 1 110 110 GLU C C 110 177.391 177.391 176.746 0.645 19945 10624 1 11 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.528 1.803 19945 10625 1 11 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.287 -0.439 19945 10626 1 11 . 1 1 110 110 GLU H H 110 8.867 8.867 8.616 0.251 19945 10627 1 11 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.295 0.321 19945 10628 1 11 . 1 1 111 111 PRO C C 111 177.417 177.417 177.740 -0.323 19945 10629 1 11 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.929 0.306 19945 10630 1 11 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.333 -0.298 19945 10631 1 11 . 1 1 112 112 ARG N N 112 114.612 114.612 115.328 -0.716 19945 10632 1 11 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.513 0.055 19945 10633 1 11 . 1 1 112 112 ARG C C 112 175.792 175.792 176.689 -0.897 19945 10634 1 11 . 1 1 112 112 ARG CA C 112 55.741 55.741 54.805 0.936 19945 10635 1 11 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.689 0.815 19945 10636 1 11 . 1 1 112 112 ARG H H 112 6.542 6.542 7.873 -1.331 19945 10637 1 11 . 1 1 113 113 GLY N N 113 106.474 106.474 106.770 -0.296 19945 10638 1 11 . 1 1 113 113 GLY C C 113 174.347 174.347 173.944 0.403 19945 10639 1 11 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.319 0.321 19945 10640 1 11 . 1 1 113 113 GLY H H 113 7.845 7.845 7.991 -0.146 19945 10641 1 11 . 1 1 114 114 ALA N N 114 122.280 122.280 123.439 -1.159 19945 10642 1 11 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.845 -0.566 19945 10643 1 11 . 1 1 114 114 ALA C C 114 176.785 176.785 177.421 -0.636 19945 10644 1 11 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.453 0.938 19945 10645 1 11 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.545 0.067 19945 10646 1 11 . 1 1 114 114 ALA H H 114 7.535 7.535 7.697 -0.162 19945 10647 1 11 . 1 1 115 115 THR N N 115 120.909 120.909 120.412 0.497 19945 10648 1 11 . 1 1 115 115 THR HA H 115 4.478 4.478 4.551 -0.073 19945 10649 1 11 . 1 1 115 115 THR C C 115 172.963 172.963 173.515 -0.552 19945 10650 1 11 . 1 1 115 115 THR CA C 115 62.825 62.825 62.914 -0.089 19945 10651 1 11 . 1 1 115 115 THR CB C 115 69.501 69.501 69.545 -0.044 19945 10652 1 11 . 1 1 115 115 THR H H 115 7.902 7.902 8.829 -0.927 19945 10653 1 11 . 1 1 116 116 ILE N N 116 129.162 129.162 129.095 0.067 19945 10654 1 11 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.068 0.229 19945 10655 1 11 . 1 1 116 116 ILE C C 116 177.056 177.056 175.420 1.636 19945 10656 1 11 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.459 0.064 19945 10657 1 11 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.390 -1.090 19945 10658 1 11 . 1 1 116 116 ILE H H 116 8.784 8.784 8.837 -0.053 19945 10659 1 11 . 1 1 117 117 VAL N N 117 122.981 122.981 123.442 -0.461 19945 10660 1 11 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.695 -0.101 19945 10661 1 11 . 1 1 117 117 VAL C C 117 175.190 175.190 175.966 -0.776 19945 10662 1 11 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.383 -0.454 19945 10663 1 11 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.565 -2.201 19945 10664 1 11 . 1 1 117 117 VAL H H 117 8.812 8.812 8.964 -0.152 19945 10665 1 11 . 1 1 118 118 GLY N N 118 108.558 108.558 106.002 2.556 19945 10666 1 11 . 1 1 118 118 GLY C C 118 175.792 175.792 174.273 1.519 19945 10667 1 11 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.530 2.216 19945 10668 1 11 . 1 1 118 118 GLY H H 118 9.297 9.297 8.602 0.695 19945 10669 1 11 . 1 1 119 119 HIS N N 119 118.402 118.402 118.657 -0.255 19945 10670 1 11 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.873 -0.101 19945 10671 1 11 . 1 1 119 119 HIS C C 119 175.866 175.866 175.076 0.790 19945 10672 1 11 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.080 -1.478 19945 10673 1 11 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.250 -1.394 19945 10674 1 11 . 1 1 119 119 HIS H H 119 8.901 8.901 7.976 0.925 19945 10675 1 11 . 1 1 120 120 TRP N N 120 124.300 124.300 125.232 -0.932 19945 10676 1 11 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.403 0.890 19945 10677 1 11 . 1 1 120 120 TRP C C 120 173.113 173.113 173.815 -0.702 19945 10678 1 11 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.952 -0.448 19945 10679 1 11 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.037 2.249 19945 10680 1 11 . 1 1 120 120 TRP H H 120 8.455 8.455 9.554 -1.099 19945 10681 1 11 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.656 -0.059 19945 10682 1 11 . 1 1 121 121 PRO C C 121 176.243 176.243 176.814 -0.571 19945 10683 1 11 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.662 0.788 19945 10684 1 11 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.530 -0.433 19945 10685 1 11 . 1 1 122 122 THR N N 122 110.568 110.568 111.134 -0.566 19945 10686 1 11 . 1 1 122 122 THR HA H 122 4.232 4.232 4.196 0.036 19945 10687 1 11 . 1 1 122 122 THR C C 122 176.424 176.424 175.516 0.908 19945 10688 1 11 . 1 1 122 122 THR CA C 122 62.079 62.079 63.449 -1.370 19945 10689 1 11 . 1 1 122 122 THR CB C 122 68.758 68.758 68.910 -0.152 19945 10690 1 11 . 1 1 122 122 THR H H 122 7.560 7.560 8.117 -0.557 19945 10691 1 11 . 1 1 123 123 ALA N N 123 126.038 126.038 123.750 2.288 19945 10692 1 11 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.933 0.336 19945 10693 1 11 . 1 1 123 123 ALA C C 123 178.862 178.862 177.429 1.433 19945 10694 1 11 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.556 1.326 19945 10695 1 11 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.064 1.220 19945 10696 1 11 . 1 1 123 123 ALA H H 123 7.144 7.144 7.983 -0.839 19945 10697 1 11 . 1 1 124 124 GLY N N 124 111.468 111.468 106.780 4.688 19945 10698 1 11 . 1 1 124 124 GLY C C 124 173.775 173.775 174.615 -0.840 19945 10699 1 11 . 1 1 124 124 GLY CA C 124 45.381 45.381 45.031 0.350 19945 10700 1 11 . 1 1 124 124 GLY H H 124 9.058 9.058 8.112 0.946 19945 10701 1 11 . 1 1 125 125 TYR N N 125 119.088 119.088 120.240 -1.152 19945 10702 1 11 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.241 0.701 19945 10703 1 11 . 1 1 125 125 TYR C C 125 175.581 175.581 175.900 -0.319 19945 10704 1 11 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.699 -2.937 19945 10705 1 11 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.760 1.790 19945 10706 1 11 . 1 1 125 125 TYR H H 125 8.008 8.008 8.193 -0.185 19945 10707 1 11 . 1 1 126 126 HIS N N 126 121.799 121.799 127.502 -5.703 19945 10708 1 11 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.318 0.695 19945 10709 1 11 . 1 1 126 126 HIS C C 126 171.969 171.969 174.222 -2.253 19945 10710 1 11 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.301 -2.154 19945 10711 1 11 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.635 -2.248 19945 10712 1 11 . 1 1 126 126 HIS H H 126 9.512 9.512 8.775 0.737 19945 10713 1 11 . 1 1 127 127 PHE N N 127 117.258 117.258 116.707 0.551 19945 10714 1 11 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.362 0.561 19945 10715 1 11 . 1 1 127 127 PHE C C 127 172.722 172.722 176.478 -3.756 19945 10716 1 11 . 1 1 127 127 PHE CA C 127 55.300 55.300 57.152 -1.852 19945 10717 1 11 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.532 -0.778 19945 10718 1 11 . 1 1 127 127 PHE H H 127 7.397 7.397 7.178 0.219 19945 10719 1 11 . 1 1 128 128 GLU N N 128 120.484 120.484 119.870 0.614 19945 10720 1 11 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.220 0.143 19945 10721 1 11 . 1 1 128 128 GLU C C 128 176.033 176.033 176.345 -0.312 19945 10722 1 11 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.347 -1.279 19945 10723 1 11 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.335 1.497 19945 10724 1 11 . 1 1 128 128 GLU H H 128 8.492 8.492 8.743 -0.251 19945 10725 1 11 . 1 1 129 129 ALA N N 129 123.500 123.500 120.428 3.072 19945 10726 1 11 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.636 0.062 19945 10727 1 11 . 1 1 129 129 ALA C C 129 174.016 174.016 175.008 -0.992 19945 10728 1 11 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.032 0.422 19945 10729 1 11 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.418 0.585 19945 10730 1 11 . 1 1 129 129 ALA H H 129 9.155 9.155 8.392 0.763 19945 10731 1 11 . 1 1 130 130 SER N N 130 110.807 110.807 115.748 -4.941 19945 10732 1 11 . 1 1 130 130 SER HA H 130 4.942 4.942 5.098 -0.156 19945 10733 1 11 . 1 1 130 130 SER C C 130 176.665 176.665 174.106 2.559 19945 10734 1 11 . 1 1 130 130 SER CA C 130 57.471 57.471 57.101 0.370 19945 10735 1 11 . 1 1 130 130 SER CB C 130 67.205 67.205 65.175 2.030 19945 10736 1 11 . 1 1 130 130 SER H H 130 8.101 8.101 8.161 -0.060 19945 10737 1 11 . 1 1 131 131 LYS N N 131 129.963 129.963 122.353 7.610 19945 10738 1 11 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.626 -0.177 19945 10739 1 11 . 1 1 131 131 LYS C C 131 176.533 176.533 177.519 -0.986 19945 10740 1 11 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.838 1.062 19945 10741 1 11 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.377 -0.748 19945 10742 1 11 . 1 1 131 131 LYS H H 131 9.690 9.690 8.805 0.885 19945 10743 1 11 . 1 1 132 132 GLY N N 132 107.870 107.870 108.309 -0.439 19945 10744 1 11 . 1 1 132 132 GLY C C 132 173.354 173.354 173.617 -0.263 19945 10745 1 11 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.270 0.376 19945 10746 1 11 . 1 1 132 132 GLY H H 132 9.187 9.187 7.810 1.377 19945 10747 1 11 . 1 1 133 133 LEU N N 133 119.088 119.088 121.135 -2.047 19945 10748 1 11 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.278 0.365 19945 10749 1 11 . 1 1 133 133 LEU C C 133 177.748 177.748 177.124 0.624 19945 10750 1 11 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.735 -0.259 19945 10751 1 11 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.397 -0.893 19945 10752 1 11 . 1 1 133 133 LEU H H 133 7.098 7.098 7.505 -0.407 19945 10753 1 11 . 1 1 134 134 ALA N N 134 125.720 125.720 127.773 -2.053 19945 10754 1 11 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.408 -0.171 19945 10755 1 11 . 1 1 134 134 ALA C C 134 176.695 176.695 177.155 -0.460 19945 10756 1 11 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.879 -0.591 19945 10757 1 11 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.392 -0.780 19945 10758 1 11 . 1 1 134 134 ALA H H 134 9.154 9.154 9.037 0.117 19945 10759 1 11 . 1 1 135 135 ASP N N 135 114.952 114.952 116.896 -1.944 19945 10760 1 11 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.846 -0.317 19945 10761 1 11 . 1 1 135 135 ASP C C 135 175.130 175.130 175.796 -0.666 19945 10762 1 11 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.274 -0.314 19945 10763 1 11 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.609 -3.081 19945 10764 1 11 . 1 1 135 135 ASP H H 135 8.299 8.299 7.733 0.566 19945 10765 1 11 . 1 1 136 136 ASP N N 136 114.870 114.870 121.559 -6.689 19945 10766 1 11 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.255 0.080 19945 10767 1 11 . 1 1 136 136 ASP C C 136 176.303 176.303 176.833 -0.530 19945 10768 1 11 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.078 0.766 19945 10769 1 11 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.900 -0.036 19945 10770 1 11 . 1 1 136 136 ASP H H 136 8.433 8.433 8.769 -0.336 19945 10771 1 11 . 1 1 137 137 ASP N N 137 113.709 113.709 117.168 -3.459 19945 10772 1 11 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.593 0.238 19945 10773 1 11 . 1 1 137 137 ASP C C 137 176.514 176.514 175.108 1.406 19945 10774 1 11 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.006 -0.689 19945 10775 1 11 . 1 1 137 137 ASP CB C 137 42.458 42.458 41.726 0.732 19945 10776 1 11 . 1 1 137 137 ASP H H 137 8.232 8.232 8.243 -0.011 19945 10777 1 11 . 1 1 138 138 HIS N N 138 117.829 117.829 117.920 -0.091 19945 10778 1 11 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.090 0.192 19945 10779 1 11 . 1 1 138 138 HIS C C 138 175.130 175.130 174.297 0.833 19945 10780 1 11 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.154 1.445 19945 10781 1 11 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.739 -0.738 19945 10782 1 11 . 1 1 138 138 HIS H H 138 7.764 7.764 7.721 0.043 19945 10783 1 11 . 1 1 139 139 PHE N N 139 123.553 123.553 122.794 0.759 19945 10784 1 11 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.815 0.204 19945 10785 1 11 . 1 1 139 139 PHE C C 139 177.477 177.477 177.188 0.289 19945 10786 1 11 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.539 -0.980 19945 10787 1 11 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.841 3.031 19945 10788 1 11 . 1 1 139 139 PHE H H 139 9.955 9.955 9.724 0.231 19945 10789 1 11 . 1 1 140 140 VAL N N 140 119.420 119.420 120.196 -0.776 19945 10790 1 11 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.407 -0.729 19945 10791 1 11 . 1 1 140 140 VAL C C 140 173.023 173.023 175.299 -2.276 19945 10792 1 11 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.435 -1.318 19945 10793 1 11 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.293 0.243 19945 10794 1 11 . 1 1 140 140 VAL H H 140 9.178 9.178 8.854 0.324 19945 10795 1 11 . 1 1 141 141 GLY N N 141 105.680 105.680 103.648 2.032 19945 10796 1 11 . 1 1 141 141 GLY C C 141 171.284 171.284 172.507 -1.223 19945 10797 1 11 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.155 0.566 19945 10798 1 11 . 1 1 141 141 GLY H H 141 6.837 6.837 7.520 -0.683 19945 10799 1 11 . 1 1 142 142 LEU N N 142 118.516 118.516 121.670 -3.154 19945 10800 1 11 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.598 -0.551 19945 10801 1 11 . 1 1 142 142 LEU C C 142 173.725 173.725 174.631 -0.906 19945 10802 1 11 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.229 1.475 19945 10803 1 11 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.786 -2.047 19945 10804 1 11 . 1 1 142 142 LEU H H 142 7.423 7.423 7.586 -0.163 19945 10805 1 11 . 1 1 143 143 ALA N N 143 128.382 128.382 129.776 -1.394 19945 10806 1 11 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.478 -0.004 19945 10807 1 11 . 1 1 143 143 ALA C C 143 175.685 175.685 178.473 -2.788 19945 10808 1 11 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.326 -0.695 19945 10809 1 11 . 1 1 143 143 ALA CB C 143 19.847 19.847 20.194 -0.347 19945 10810 1 11 . 1 1 143 143 ALA H H 143 5.414 5.414 8.029 -2.615 19945 10811 1 11 . 1 1 144 144 ILE N N 144 126.754 126.754 122.753 4.001 19945 10812 1 11 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.681 0.634 19945 10813 1 11 . 1 1 144 144 ILE C C 144 173.725 173.725 174.956 -1.231 19945 10814 1 11 . 1 1 144 144 ILE CA C 144 56.721 56.721 63.572 -6.851 19945 10815 1 11 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.645 -1.015 19945 10816 1 11 . 1 1 144 144 ILE H H 144 8.849 8.849 8.382 0.467 19945 10817 1 11 . 1 1 145 145 ASP N N 145 125.518 125.518 114.907 10.611 19945 10818 1 11 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.736 1.060 19945 10819 1 11 . 1 1 145 145 ASP C C 145 176.830 176.830 174.624 2.206 19945 10820 1 11 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.522 -0.969 19945 10821 1 11 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.032 0.470 19945 10822 1 11 . 1 1 145 145 ASP H H 145 8.088 8.088 8.012 0.076 19945 10823 1 11 . 1 1 146 146 GLU N N 146 125.475 125.475 119.160 6.315 19945 10824 1 11 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.629 0.034 19945 10825 1 11 . 1 1 146 146 GLU C C 146 177.132 177.132 174.714 2.418 19945 10826 1 11 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.162 0.111 19945 10827 1 11 . 1 1 146 146 GLU CB C 146 32.250 32.250 29.747 2.503 19945 10828 1 11 . 1 1 146 146 GLU H H 146 8.390 8.390 8.678 -0.288 19945 10829 1 11 . 1 1 147 147 ASP N N 147 120.137 120.137 118.587 1.550 19945 10830 1 11 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.699 -0.132 19945 10831 1 11 . 1 1 147 147 ASP C C 147 178.126 178.126 176.467 1.659 19945 10832 1 11 . 1 1 147 147 ASP CA C 147 58.001 58.001 52.731 5.269 19945 10833 1 11 . 1 1 147 147 ASP CB C 147 43.250 43.250 43.036 0.214 19945 10834 1 11 . 1 1 147 147 ASP H H 147 8.599 8.599 7.391 1.208 19945 10835 1 11 . 1 1 148 148 ARG N N 148 115.655 115.655 120.138 -4.483 19945 10836 1 11 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.079 0.619 19945 10837 1 11 . 1 1 148 148 ARG C C 148 177.704 177.704 176.268 1.436 19945 10838 1 11 . 1 1 148 148 ARG CA C 148 52.960 52.960 58.678 -5.718 19945 10839 1 11 . 1 1 148 148 ARG CB C 148 30.814 30.814 30.670 0.144 19945 10840 1 11 . 1 1 148 148 ARG H H 148 9.762 9.762 8.421 1.341 19945 10841 1 11 . 1 1 149 149 GLN N N 149 116.313 116.313 115.097 1.216 19945 10842 1 11 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.695 0.604 19945 10843 1 11 . 1 1 149 149 GLN C C 149 175.142 175.142 173.480 1.662 19945 10844 1 11 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.713 0.688 19945 10845 1 11 . 1 1 149 149 GLN CB C 149 30.841 30.841 31.247 -0.406 19945 10846 1 11 . 1 1 149 149 GLN H H 149 7.622 7.622 8.322 -0.700 19945 10847 1 11 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.448 0.233 19945 10848 1 11 . 1 1 150 150 PRO C C 150 179.483 179.483 175.580 3.903 19945 10849 1 11 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.603 1.723 19945 10850 1 11 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.205 -1.553 19945 10851 1 11 . 1 1 151 151 GLU N N 151 122.981 122.981 123.415 -0.434 19945 10852 1 11 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.598 -0.197 19945 10853 1 11 . 1 1 151 151 GLU C C 151 177.041 177.041 177.513 -0.472 19945 10854 1 11 . 1 1 151 151 GLU CA C 151 58.398 58.398 57.048 1.350 19945 10855 1 11 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.519 -3.937 19945 10856 1 11 . 1 1 151 151 GLU H H 151 10.520 10.520 9.478 1.042 19945 10857 1 11 . 1 1 152 152 LEU N N 152 120.119 120.119 119.183 0.936 19945 10858 1 11 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.722 -0.031 19945 10859 1 11 . 1 1 152 152 LEU C C 152 177.222 177.222 178.088 -0.866 19945 10860 1 11 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.592 -0.283 19945 10861 1 11 . 1 1 152 152 LEU CB C 152 41.935 41.935 43.007 -1.072 19945 10862 1 11 . 1 1 152 152 LEU H H 152 7.589 7.589 9.119 -1.530 19945 10863 1 11 . 1 1 153 153 THR N N 153 119.637 119.637 117.428 2.209 19945 10864 1 11 . 1 1 153 153 THR HA H 153 3.592 3.592 3.904 -0.312 19945 10865 1 11 . 1 1 153 153 THR C C 153 174.178 174.178 175.897 -1.719 19945 10866 1 11 . 1 1 153 153 THR CA C 153 67.960 67.960 67.237 0.723 19945 10867 1 11 . 1 1 153 153 THR CB C 153 69.023 69.023 68.770 0.253 19945 10868 1 11 . 1 1 153 153 THR H H 153 7.469 7.469 7.739 -0.270 19945 10869 1 11 . 1 1 154 154 ALA N N 154 123.665 123.665 121.177 2.488 19945 10870 1 11 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.130 -0.242 19945 10871 1 11 . 1 1 154 154 ALA C C 154 180.417 180.417 179.723 0.694 19945 10872 1 11 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.468 2.070 19945 10873 1 11 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.392 -1.170 19945 10874 1 11 . 1 1 154 154 ALA H H 154 9.077 9.077 8.399 0.678 19945 10875 1 11 . 1 1 155 155 GLU N N 155 119.661 119.661 118.990 0.671 19945 10876 1 11 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.139 0.113 19945 10877 1 11 . 1 1 155 155 GLU C C 155 178.518 178.518 179.219 -0.701 19945 10878 1 11 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.072 -0.254 19945 10879 1 11 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.584 0.123 19945 10880 1 11 . 1 1 155 155 GLU H H 155 8.647 8.647 7.922 0.725 19945 10881 1 11 . 1 1 156 156 ARG N N 156 120.739 120.739 119.852 0.887 19945 10882 1 11 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.267 -0.049 19945 10883 1 11 . 1 1 156 156 ARG C C 156 177.252 177.252 178.939 -1.687 19945 10884 1 11 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.507 0.963 19945 10885 1 11 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.455 0.568 19945 10886 1 11 . 1 1 156 156 ARG H H 156 8.129 8.129 8.172 -0.043 19945 10887 1 11 . 1 1 157 157 VAL N N 157 117.372 117.372 116.462 0.910 19945 10888 1 11 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.712 -0.393 19945 10889 1 11 . 1 1 157 157 VAL C C 157 177.192 177.192 177.685 -0.493 19945 10890 1 11 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.652 0.748 19945 10891 1 11 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.107 0.725 19945 10892 1 11 . 1 1 157 157 VAL H H 157 8.578 8.578 8.416 0.162 19945 10893 1 11 . 1 1 158 158 GLU N N 158 118.631 118.631 121.466 -2.835 19945 10894 1 11 . 1 1 158 158 GLU HA H 158 4.197 4.197 3.976 0.221 19945 10895 1 11 . 1 1 158 158 GLU C C 158 179.995 179.995 179.079 0.916 19945 10896 1 11 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.988 -0.250 19945 10897 1 11 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.142 0.035 19945 10898 1 11 . 1 1 158 158 GLU H H 158 8.046 8.046 7.790 0.256 19945 10899 1 11 . 1 1 159 159 LYS N N 159 118.860 118.860 119.528 -0.668 19945 10900 1 11 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.146 0.040 19945 10901 1 11 . 1 1 159 159 LYS C C 159 179.844 179.844 179.547 0.297 19945 10902 1 11 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.368 0.627 19945 10903 1 11 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.660 1.032 19945 10904 1 11 . 1 1 159 159 LYS H H 159 8.522 8.522 8.241 0.281 19945 10905 1 11 . 1 1 160 160 TRP N N 160 125.100 125.100 121.361 3.739 19945 10906 1 11 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.568 -0.198 19945 10907 1 11 . 1 1 160 160 TRP C C 160 178.006 178.006 177.741 0.265 19945 10908 1 11 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.416 1.397 19945 10909 1 11 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.387 -0.595 19945 10910 1 11 . 1 1 160 160 TRP H H 160 9.076 9.076 8.429 0.647 19945 10911 1 11 . 1 1 161 161 VAL N N 161 118.402 118.402 119.602 -1.200 19945 10912 1 11 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.143 0.227 19945 10913 1 11 . 1 1 161 161 VAL C C 161 179.392 179.392 178.177 1.215 19945 10914 1 11 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.512 0.492 19945 10915 1 11 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.335 -0.986 19945 10916 1 11 . 1 1 161 161 VAL H H 161 9.024 9.024 8.328 0.696 19945 10917 1 11 . 1 1 162 162 LYS N N 162 123.209 123.209 119.380 3.829 19945 10918 1 11 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.920 0.082 19945 10919 1 11 . 1 1 162 162 LYS C C 162 178.759 178.759 178.900 -0.141 19945 10920 1 11 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.817 0.555 19945 10921 1 11 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.005 0.359 19945 10922 1 11 . 1 1 162 162 LYS H H 162 7.820 7.820 8.076 -0.256 19945 10923 1 11 . 1 1 163 163 GLN N N 163 121.722 121.722 117.890 3.832 19945 10924 1 11 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.000 0.190 19945 10925 1 11 . 1 1 163 163 GLN C C 163 179.935 179.935 178.456 1.479 19945 10926 1 11 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.621 1.105 19945 10927 1 11 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.967 0.055 19945 10928 1 11 . 1 1 163 163 GLN H H 163 8.126 8.126 7.558 0.568 19945 10929 1 11 . 1 1 164 164 ILE N N 164 114.390 114.390 117.200 -2.810 19945 10930 1 11 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.606 0.384 19945 10931 1 11 . 1 1 164 164 ILE C C 164 178.156 178.156 177.649 0.507 19945 10932 1 11 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.164 1.012 19945 10933 1 11 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.259 0.419 19945 10934 1 11 . 1 1 164 164 ILE H H 164 9.110 9.110 7.318 1.792 19945 10935 1 11 . 1 1 165 165 SER N N 165 119.660 119.660 117.395 2.265 19945 10936 1 11 . 1 1 165 165 SER HA H 165 3.976 3.976 4.009 -0.033 19945 10937 1 11 . 1 1 165 165 SER C C 165 176.438 176.438 176.649 -0.211 19945 10938 1 11 . 1 1 165 165 SER CA C 165 63.180 63.180 62.893 0.287 19945 10939 1 11 . 1 1 165 165 SER CB C 165 62.383 62.383 62.392 -0.009 19945 10940 1 11 . 1 1 165 165 SER H H 165 8.278 8.278 8.539 -0.261 19945 10941 1 11 . 1 1 166 166 GLU N N 166 122.290 122.290 121.073 1.217 19945 10942 1 11 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.149 0.061 19945 10943 1 11 . 1 1 166 166 GLU C C 166 179.965 179.965 179.449 0.516 19945 10944 1 11 . 1 1 166 166 GLU CA C 166 59.195 59.195 59.196 -0.001 19945 10945 1 11 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.593 -0.349 19945 10946 1 11 . 1 1 166 166 GLU H H 166 7.345 7.345 7.711 -0.366 19945 10947 1 11 . 1 1 167 167 GLU N N 167 120.787 120.787 119.626 1.161 19945 10948 1 11 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.012 -0.073 19945 10949 1 11 . 1 1 167 167 GLU C C 167 178.518 178.518 178.286 0.232 19945 10950 1 11 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.581 1.419 19945 10951 1 11 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.566 1.234 19945 10952 1 11 . 1 1 167 167 GLU H H 167 8.413 8.413 7.664 0.749 19945 10953 1 11 . 1 1 168 168 LEU N N 168 115.420 115.420 116.545 -1.125 19945 10954 1 11 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.177 -0.040 19945 10955 1 11 . 1 1 168 168 LEU C C 168 175.896 175.896 175.971 -0.075 19945 10956 1 11 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.566 0.214 19945 10957 1 11 . 1 1 168 168 LEU CB C 168 43.300 43.300 41.773 1.528 19945 10958 1 11 . 1 1 168 168 LEU H H 168 8.553 8.553 7.847 0.706 19945 10959 1 11 . 1 1 169 169 HIS N N 169 113.347 113.347 113.179 0.168 19945 10960 1 11 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.294 0.057 19945 10961 1 11 . 1 1 169 169 HIS C C 169 175.835 175.835 175.454 0.381 19945 10962 1 11 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.940 -0.667 19945 10963 1 11 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.769 -1.047 19945 10964 1 11 . 1 1 169 169 HIS H H 169 7.550 7.550 7.507 0.043 19945 10965 1 11 . 1 1 170 170 LEU N N 170 117.250 117.250 118.057 -0.807 19945 10966 1 11 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.174 -0.171 19945 10967 1 11 . 1 1 170 170 LEU C C 170 178.096 178.096 177.886 0.210 19945 10968 1 11 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.934 1.034 19945 10969 1 11 . 1 1 170 170 LEU CB C 170 41.858 41.858 42.160 -0.302 19945 10970 1 11 . 1 1 170 170 LEU H H 170 8.069 8.069 8.256 -0.187 19945 10971 1 11 . 1 1 171 171 ASP N N 171 117.300 117.300 120.573 -3.273 19945 10972 1 11 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.283 0.052 19945 10973 1 11 . 1 1 171 171 ASP C C 171 177.915 177.915 178.190 -0.275 19945 10974 1 11 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.116 -1.426 19945 10975 1 11 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.744 -0.684 19945 10976 1 11 . 1 1 171 171 ASP H H 171 8.732 8.732 8.372 0.360 19945 10977 1 11 . 1 1 172 172 GLU N N 172 119.203 119.203 117.100 2.103 19945 10978 1 11 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.187 0.040 19945 10979 1 11 . 1 1 172 172 GLU C C 172 178.277 178.277 177.458 0.819 19945 10980 1 11 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.689 -0.557 19945 10981 1 11 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.291 0.709 19945 10982 1 11 . 1 1 172 172 GLU H H 172 7.804 7.804 8.688 -0.884 19945 10983 1 11 . 1 1 173 173 ILE N N 173 119.519 119.519 117.953 1.566 19945 10984 1 11 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.096 -0.043 19945 10985 1 11 . 1 1 173 173 ILE C C 173 178.006 178.006 178.171 -0.165 19945 10986 1 11 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.089 0.511 19945 10987 1 11 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.181 -0.181 19945 10988 1 11 . 1 1 173 173 ILE H H 173 7.787 7.787 7.610 0.177 19945 10989 1 11 . 1 1 174 174 LEU N N 174 121.260 121.260 118.888 2.372 19945 10990 1 11 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.221 0.065 19945 10991 1 11 . 1 1 174 174 LEU C C 174 177.704 177.704 177.805 -0.101 19945 10992 1 11 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.632 -1.359 19945 10993 1 11 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.231 0.228 19945 10994 1 11 . 1 1 174 174 LEU H H 174 8.241 8.241 8.421 -0.180 19945 10995 1 11 . 1 1 175 175 ASN N N 175 118.280 118.280 117.398 0.882 19945 10996 1 11 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.817 0.012 19945 10997 1 11 . 1 1 175 175 ASN C C 175 173.846 173.846 175.362 -1.516 19945 10998 1 11 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.697 1.525 19945 10999 1 11 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.283 -0.012 19945 11000 1 11 . 1 1 175 175 ASN H H 175 7.883 7.883 8.032 -0.149 19945 11001 1 12 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.536 -0.284 19945 11002 1 12 . 1 1 2 2 ALA C C 2 174.479 174.479 177.516 -3.037 19945 11003 1 12 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.742 0.726 19945 11004 1 12 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.540 -0.373 19945 11005 1 12 . 1 1 3 3 ILE N N 3 116.571 116.571 115.089 1.482 19945 11006 1 12 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.596 -0.051 19945 11007 1 12 . 1 1 3 3 ILE C C 3 175.806 175.806 175.427 0.379 19945 11008 1 12 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.354 1.841 19945 11009 1 12 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.170 0.240 19945 11010 1 12 . 1 1 3 3 ILE H H 3 8.456 8.456 8.547 -0.091 19945 11011 1 12 . 1 1 4 4 THR N N 4 115.734 115.734 118.425 -2.691 19945 11012 1 12 . 1 1 4 4 THR HA H 4 5.124 5.124 5.003 0.121 19945 11013 1 12 . 1 1 4 4 THR C C 4 172.410 172.410 173.463 -1.053 19945 11014 1 12 . 1 1 4 4 THR CA C 4 61.724 61.724 61.428 0.296 19945 11015 1 12 . 1 1 4 4 THR CB C 4 70.059 70.059 70.896 -0.837 19945 11016 1 12 . 1 1 4 4 THR H H 4 8.244 8.244 8.010 0.234 19945 11017 1 12 . 1 1 5 5 GLY N N 5 116.016 116.016 112.302 3.714 19945 11018 1 12 . 1 1 5 5 GLY C C 5 171.077 171.077 172.228 -1.151 19945 11019 1 12 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.011 0.498 19945 11020 1 12 . 1 1 5 5 GLY H H 5 8.554 8.554 8.400 0.154 19945 11021 1 12 . 1 1 6 6 ILE N N 6 126.504 126.504 126.553 -0.049 19945 11022 1 12 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.909 0.542 19945 11023 1 12 . 1 1 6 6 ILE C C 6 175.245 175.245 174.894 0.351 19945 11024 1 12 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.726 -0.808 19945 11025 1 12 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.187 0.021 19945 11026 1 12 . 1 1 6 6 ILE H H 6 8.719 8.719 9.071 -0.352 19945 11027 1 12 . 1 1 7 7 PHE N N 7 127.559 127.559 126.864 0.695 19945 11028 1 12 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.895 -0.282 19945 11029 1 12 . 1 1 7 7 PHE C C 7 174.634 174.634 175.634 -1.000 19945 11030 1 12 . 1 1 7 7 PHE CA C 7 55.663 55.663 54.215 1.448 19945 11031 1 12 . 1 1 7 7 PHE CB C 7 41.688 41.688 39.966 1.722 19945 11032 1 12 . 1 1 7 7 PHE H H 7 9.609 9.609 9.075 0.534 19945 11033 1 12 . 1 1 8 8 PHE N N 8 120.006 120.006 119.830 0.176 19945 11034 1 12 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.857 0.367 19945 11035 1 12 . 1 1 8 8 PHE C C 8 171.212 171.212 173.804 -2.592 19945 11036 1 12 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.303 -0.625 19945 11037 1 12 . 1 1 8 8 PHE CB C 8 43.521 43.521 43.081 0.440 19945 11038 1 12 . 1 1 8 8 PHE H H 8 8.545 8.545 8.922 -0.377 19945 11039 1 12 . 1 1 9 9 GLY N N 9 109.650 109.650 106.237 3.413 19945 11040 1 12 . 1 1 9 9 GLY C C 9 172.512 172.512 172.747 -0.235 19945 11041 1 12 . 1 1 9 9 GLY CA C 9 44.318 44.318 44.151 0.168 19945 11042 1 12 . 1 1 9 9 GLY H H 9 7.701 7.701 8.919 -1.218 19945 11043 1 12 . 1 1 10 10 SER N N 10 115.953 115.953 118.991 -3.038 19945 11044 1 12 . 1 1 10 10 SER HA H 10 5.001 5.001 5.167 -0.166 19945 11045 1 12 . 1 1 10 10 SER C C 10 173.439 173.439 173.232 0.207 19945 11046 1 12 . 1 1 10 10 SER CA C 10 58.308 58.308 57.407 0.901 19945 11047 1 12 . 1 1 10 10 SER CB C 10 66.423 66.423 67.263 -0.840 19945 11048 1 12 . 1 1 10 10 SER H H 10 8.634 8.634 8.467 0.167 19945 11049 1 12 . 1 1 11 11 ASP N N 11 104.000 104.000 120.111 -16.111 19945 11050 1 12 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.577 0.397 19945 11051 1 12 . 1 1 11 11 ASP C C 11 179.108 179.108 177.341 1.767 19945 11052 1 12 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.550 -0.001 19945 11053 1 12 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.453 -1.353 19945 11054 1 12 . 1 1 11 11 ASP H H 11 11.201 11.201 8.946 2.255 19945 11055 1 12 . 1 1 12 12 THR N N 12 112.000 112.000 113.547 -1.547 19945 11056 1 12 . 1 1 12 12 THR HA H 12 4.804 4.804 4.404 0.400 19945 11057 1 12 . 1 1 12 12 THR C C 12 175.080 175.080 176.284 -1.204 19945 11058 1 12 . 1 1 12 12 THR CA C 12 60.237 60.237 62.931 -2.694 19945 11059 1 12 . 1 1 12 12 THR CB C 12 68.567 68.567 69.089 -0.522 19945 11060 1 12 . 1 1 12 12 THR H H 12 9.311 9.311 8.311 1.000 19945 11061 1 12 . 1 1 13 13 GLY N N 13 112.221 112.221 110.909 1.312 19945 11062 1 12 . 1 1 13 13 GLY C C 13 176.690 176.690 174.755 1.935 19945 11063 1 12 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.874 1.426 19945 11064 1 12 . 1 1 13 13 GLY H H 13 8.000 8.000 8.570 -0.570 19945 11065 1 12 . 1 1 14 14 ASN N N 14 128.520 128.520 118.917 9.603 19945 11066 1 12 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.516 0.110 19945 11067 1 12 . 1 1 14 14 ASN C C 14 178.888 178.888 176.461 2.427 19945 11068 1 12 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.863 1.201 19945 11069 1 12 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.432 -1.598 19945 11070 1 12 . 1 1 14 14 ASN H H 14 11.112 11.112 8.585 2.527 19945 11071 1 12 . 1 1 15 15 THR N N 15 122.550 122.550 113.914 8.636 19945 11072 1 12 . 1 1 15 15 THR HA H 15 4.369 4.369 4.079 0.290 19945 11073 1 12 . 1 1 15 15 THR C C 15 176.786 176.786 176.471 0.315 19945 11074 1 12 . 1 1 15 15 THR CA C 15 67.325 67.325 65.915 1.410 19945 11075 1 12 . 1 1 15 15 THR CB C 15 67.961 67.961 68.370 -0.409 19945 11076 1 12 . 1 1 15 15 THR H H 15 11.327 11.327 8.199 3.128 19945 11077 1 12 . 1 1 16 16 GLU N N 16 120.578 120.578 121.437 -0.859 19945 11078 1 12 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.870 -0.583 19945 11079 1 12 . 1 1 16 16 GLU C C 16 176.642 176.642 178.018 -1.376 19945 11080 1 12 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.214 -0.145 19945 11081 1 12 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.094 -0.717 19945 11082 1 12 . 1 1 16 16 GLU H H 16 6.590 6.590 7.925 -1.335 19945 11083 1 12 . 1 1 17 17 ASN N N 17 118.000 118.000 118.349 -0.349 19945 11084 1 12 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.426 -0.116 19945 11085 1 12 . 1 1 17 17 ASN C C 17 178.255 178.255 177.815 0.440 19945 11086 1 12 . 1 1 17 17 ASN CA C 17 56.301 56.301 56.168 0.133 19945 11087 1 12 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.293 -0.655 19945 11088 1 12 . 1 1 17 17 ASN H H 17 7.705 7.705 7.454 0.251 19945 11089 1 12 . 1 1 18 18 ILE N N 18 119.430 119.430 120.380 -0.950 19945 11090 1 12 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.659 -0.007 19945 11091 1 12 . 1 1 18 18 ILE C C 18 177.564 177.564 177.553 0.011 19945 11092 1 12 . 1 1 18 18 ILE CA C 18 62.500 62.500 62.575 -0.076 19945 11093 1 12 . 1 1 18 18 ILE CB C 18 34.551 34.551 35.998 -1.447 19945 11094 1 12 . 1 1 18 18 ILE H H 18 8.141 8.141 7.873 0.268 19945 11095 1 12 . 1 1 19 19 ALA N N 19 123.208 123.208 122.543 0.665 19945 11096 1 12 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.837 -0.168 19945 11097 1 12 . 1 1 19 19 ALA C C 19 178.888 178.888 179.644 -0.756 19945 11098 1 12 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.498 0.157 19945 11099 1 12 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.115 0.700 19945 11100 1 12 . 1 1 19 19 ALA H H 19 8.304 8.304 8.467 -0.163 19945 11101 1 12 . 1 1 20 20 LYS N N 20 116.460 116.460 118.669 -2.209 19945 11102 1 12 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.961 -0.145 19945 11103 1 12 . 1 1 20 20 LYS C C 20 179.666 179.666 179.111 0.555 19945 11104 1 12 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.525 0.297 19945 11105 1 12 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.310 -0.212 19945 11106 1 12 . 1 1 20 20 LYS H H 20 7.722 7.722 8.124 -0.402 19945 11107 1 12 . 1 1 21 21 MET N N 21 123.880 123.880 118.806 5.074 19945 11108 1 12 . 1 1 21 21 MET HA H 21 3.946 3.946 4.027 -0.081 19945 11109 1 12 . 1 1 21 21 MET C C 21 179.435 179.435 178.395 1.040 19945 11110 1 12 . 1 1 21 21 MET CA C 21 59.662 59.662 59.532 0.130 19945 11111 1 12 . 1 1 21 21 MET CB C 21 34.262 34.262 32.506 1.756 19945 11112 1 12 . 1 1 21 21 MET H H 21 8.336 8.336 8.041 0.295 19945 11113 1 12 . 1 1 22 22 ILE N N 22 122.065 122.065 120.117 1.948 19945 11114 1 12 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.497 -0.252 19945 11115 1 12 . 1 1 22 22 ILE C C 22 177.592 177.592 177.659 -0.067 19945 11116 1 12 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.907 -0.183 19945 11117 1 12 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.403 0.274 19945 11118 1 12 . 1 1 22 22 ILE H H 22 8.500 8.500 8.331 0.169 19945 11119 1 12 . 1 1 23 23 GLN N N 23 119.264 119.264 119.740 -0.476 19945 11120 1 12 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.884 -0.440 19945 11121 1 12 . 1 1 23 23 GLN C C 23 177.017 177.017 178.333 -1.316 19945 11122 1 12 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.466 0.225 19945 11123 1 12 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.558 -0.710 19945 11124 1 12 . 1 1 23 23 GLN H H 23 7.985 7.985 8.308 -0.323 19945 11125 1 12 . 1 1 24 24 LYS N N 24 118.970 118.970 118.706 0.264 19945 11126 1 12 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.045 -0.125 19945 11127 1 12 . 1 1 24 24 LYS C C 24 178.427 178.427 179.228 -0.801 19945 11128 1 12 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.587 0.573 19945 11129 1 12 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.945 0.419 19945 11130 1 12 . 1 1 24 24 LYS H H 24 7.942 7.942 8.142 -0.200 19945 11131 1 12 . 1 1 25 25 GLN N N 25 118.400 118.400 117.943 0.457 19945 11132 1 12 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.147 -0.144 19945 11133 1 12 . 1 1 25 25 GLN C C 25 178.226 178.226 177.768 0.458 19945 11134 1 12 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.933 0.150 19945 11135 1 12 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.203 -0.294 19945 11136 1 12 . 1 1 25 25 GLN H H 25 7.636 7.636 7.907 -0.271 19945 11137 1 12 . 1 1 26 26 LEU N N 26 119.080 119.080 116.547 2.533 19945 11138 1 12 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.245 -0.226 19945 11139 1 12 . 1 1 26 26 LEU C C 26 177.247 177.247 176.698 0.549 19945 11140 1 12 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.520 1.548 19945 11141 1 12 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.118 0.031 19945 11142 1 12 . 1 1 26 26 LEU H H 26 8.098 8.098 7.977 0.121 19945 11143 1 12 . 1 1 27 27 GLY N N 27 107.750 107.750 105.440 2.310 19945 11144 1 12 . 1 1 27 27 GLY C C 27 175.231 175.231 173.652 1.579 19945 11145 1 12 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.618 -0.558 19945 11146 1 12 . 1 1 27 27 GLY H H 27 8.050 8.050 7.841 0.209 19945 11147 1 12 . 1 1 28 28 LYS N N 28 125.187 125.187 122.545 2.642 19945 11148 1 12 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.308 -0.085 19945 11149 1 12 . 1 1 28 28 LYS C C 28 176.372 176.372 177.223 -0.851 19945 11150 1 12 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.128 0.801 19945 11151 1 12 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.485 -0.387 19945 11152 1 12 . 1 1 28 28 LYS H H 28 8.786 8.786 8.604 0.182 19945 11153 1 12 . 1 1 29 29 ASP N N 29 115.960 115.960 113.416 2.544 19945 11154 1 12 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.605 -0.030 19945 11155 1 12 . 1 1 29 29 ASP C C 29 176.437 176.437 177.673 -1.236 19945 11156 1 12 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.476 -0.266 19945 11157 1 12 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.776 -0.974 19945 11158 1 12 . 1 1 29 29 ASP H H 29 8.919 8.919 8.279 0.640 19945 11159 1 12 . 1 1 30 30 VAL N N 30 120.609 120.609 120.223 0.386 19945 11160 1 12 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.109 -0.053 19945 11161 1 12 . 1 1 30 30 VAL C C 30 174.656 174.656 174.730 -0.074 19945 11162 1 12 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.274 0.446 19945 11163 1 12 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.539 -0.701 19945 11164 1 12 . 1 1 30 30 VAL H H 30 7.573 7.573 7.682 -0.109 19945 11165 1 12 . 1 1 31 31 ALA N N 31 123.100 123.100 119.523 3.577 19945 11166 1 12 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.237 0.294 19945 11167 1 12 . 1 1 31 31 ALA C C 31 175.174 175.174 174.835 0.339 19945 11168 1 12 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.348 -0.186 19945 11169 1 12 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.348 0.983 19945 11170 1 12 . 1 1 31 31 ALA H H 31 7.951 7.951 8.061 -0.110 19945 11171 1 12 . 1 1 32 32 ASP N N 32 121.576 121.576 121.292 0.284 19945 11172 1 12 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.098 -0.229 19945 11173 1 12 . 1 1 32 32 ASP C C 32 174.771 174.771 174.371 0.400 19945 11174 1 12 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.950 -0.538 19945 11175 1 12 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.144 -1.357 19945 11176 1 12 . 1 1 32 32 ASP H H 32 8.175 8.175 8.756 -0.581 19945 11177 1 12 . 1 1 33 33 VAL N N 33 120.428 120.428 123.893 -3.465 19945 11178 1 12 . 1 1 33 33 VAL HA H 33 4.657 4.657 5.014 -0.357 19945 11179 1 12 . 1 1 33 33 VAL C C 33 174.252 174.252 175.272 -1.020 19945 11180 1 12 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.646 -0.343 19945 11181 1 12 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.087 0.790 19945 11182 1 12 . 1 1 33 33 VAL H H 33 8.397 8.397 8.592 -0.195 19945 11183 1 12 . 1 1 34 34 HIS N N 34 125.285 125.285 125.947 -0.662 19945 11184 1 12 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.853 -0.300 19945 11185 1 12 . 1 1 34 34 HIS C C 34 171.920 171.920 172.941 -1.021 19945 11186 1 12 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.051 -1.480 19945 11187 1 12 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.139 -0.719 19945 11188 1 12 . 1 1 34 34 HIS H H 34 8.945 8.945 9.287 -0.342 19945 11189 1 12 . 1 1 35 35 ASP N N 35 124.120 124.120 121.552 2.568 19945 11190 1 12 . 1 1 35 35 ASP HA H 35 3.297 3.297 3.712 -0.415 19945 11191 1 12 . 1 1 35 35 ASP C C 35 179.780 179.780 177.276 2.504 19945 11192 1 12 . 1 1 35 35 ASP CA C 35 51.756 51.756 54.162 -2.406 19945 11193 1 12 . 1 1 35 35 ASP CB C 35 41.396 41.396 41.442 -0.046 19945 11194 1 12 . 1 1 35 35 ASP H H 35 8.589 8.589 8.560 0.029 19945 11195 1 12 . 1 1 36 36 ILE N N 36 106.681 106.681 127.436 -20.755 19945 11196 1 12 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.102 0.452 19945 11197 1 12 . 1 1 36 36 ILE C C 36 175.404 175.404 176.507 -1.103 19945 11198 1 12 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.545 -3.195 19945 11199 1 12 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.116 2.155 19945 11200 1 12 . 1 1 36 36 ILE H H 36 9.705 9.705 8.120 1.585 19945 11201 1 12 . 1 1 37 37 ALA N N 37 123.095 123.095 121.229 1.866 19945 11202 1 12 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.848 0.241 19945 11203 1 12 . 1 1 37 37 ALA C C 37 178.140 178.140 177.857 0.283 19945 11204 1 12 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.271 -0.655 19945 11205 1 12 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.614 0.732 19945 11206 1 12 . 1 1 37 37 ALA H H 37 8.261 8.261 7.986 0.275 19945 11207 1 12 . 1 1 38 38 LYS N N 38 115.312 115.312 115.499 -0.187 19945 11208 1 12 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.191 0.420 19945 11209 1 12 . 1 1 38 38 LYS C C 38 176.498 176.498 177.104 -0.606 19945 11210 1 12 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.240 -2.093 19945 11211 1 12 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.553 0.873 19945 11212 1 12 . 1 1 38 38 LYS H H 38 7.437 7.437 7.219 0.218 19945 11213 1 12 . 1 1 39 39 SER N N 39 115.623 115.623 117.758 -2.135 19945 11214 1 12 . 1 1 39 39 SER HA H 39 5.019 5.019 4.210 0.809 19945 11215 1 12 . 1 1 39 39 SER C C 39 171.402 171.402 174.453 -3.051 19945 11216 1 12 . 1 1 39 39 SER CA C 39 58.929 58.929 59.245 -0.315 19945 11217 1 12 . 1 1 39 39 SER CB C 39 65.538 65.538 63.108 2.430 19945 11218 1 12 . 1 1 39 39 SER H H 39 7.051 7.051 7.274 -0.223 19945 11219 1 12 . 1 1 40 40 SER N N 40 118.860 118.860 121.292 -2.432 19945 11220 1 12 . 1 1 40 40 SER HA H 40 5.025 5.025 4.596 0.429 19945 11221 1 12 . 1 1 40 40 SER C C 40 174.741 174.741 176.145 -1.404 19945 11222 1 12 . 1 1 40 40 SER CA C 40 56.003 56.003 58.078 -2.075 19945 11223 1 12 . 1 1 40 40 SER CB C 40 67.416 67.416 63.983 3.433 19945 11224 1 12 . 1 1 40 40 SER H H 40 9.377 9.377 8.518 0.859 19945 11225 1 12 . 1 1 41 41 LYS N N 41 122.504 122.504 123.057 -0.553 19945 11226 1 12 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.209 -0.471 19945 11227 1 12 . 1 1 41 41 LYS C C 41 177.391 177.391 178.339 -0.948 19945 11228 1 12 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.683 1.290 19945 11229 1 12 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.285 1.022 19945 11230 1 12 . 1 1 41 41 LYS H H 41 9.098 9.098 8.922 0.175 19945 11231 1 12 . 1 1 42 42 GLU N N 42 115.836 115.836 115.920 -0.084 19945 11232 1 12 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.377 -0.249 19945 11233 1 12 . 1 1 42 42 GLU C C 42 178.773 178.773 177.962 0.811 19945 11234 1 12 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.133 1.859 19945 11235 1 12 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.344 -0.700 19945 11236 1 12 . 1 1 42 42 GLU H H 42 8.839 8.839 8.598 0.241 19945 11237 1 12 . 1 1 43 43 ASP N N 43 119.589 119.589 121.045 -1.456 19945 11238 1 12 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.531 -0.045 19945 11239 1 12 . 1 1 43 43 ASP C C 43 177.564 177.564 178.330 -0.766 19945 11240 1 12 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.618 0.983 19945 11241 1 12 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.844 -0.038 19945 11242 1 12 . 1 1 43 43 ASP H H 43 7.794 7.794 7.849 -0.055 19945 11243 1 12 . 1 1 44 44 LEU N N 44 118.745 118.745 119.217 -0.472 19945 11244 1 12 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.504 -0.533 19945 11245 1 12 . 1 1 44 44 LEU C C 44 178.600 178.600 179.377 -0.777 19945 11246 1 12 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.144 1.738 19945 11247 1 12 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.726 0.998 19945 11248 1 12 . 1 1 44 44 LEU H H 44 6.854 6.854 7.635 -0.781 19945 11249 1 12 . 1 1 45 45 GLU N N 45 114.280 114.280 118.409 -4.129 19945 11250 1 12 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.008 -0.381 19945 11251 1 12 . 1 1 45 45 GLU C C 45 176.988 176.988 178.644 -1.656 19945 11252 1 12 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.921 -0.245 19945 11253 1 12 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.311 0.927 19945 11254 1 12 . 1 1 45 45 GLU H H 45 7.571 7.571 7.694 -0.123 19945 11255 1 12 . 1 1 46 46 ALA N N 46 118.860 118.860 120.987 -2.127 19945 11256 1 12 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.082 -0.044 19945 11257 1 12 . 1 1 46 46 ALA C C 46 176.901 176.901 177.792 -0.891 19945 11258 1 12 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.350 -0.031 19945 11259 1 12 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.910 0.171 19945 11260 1 12 . 1 1 46 46 ALA H H 46 7.026 7.026 7.524 -0.498 19945 11261 1 12 . 1 1 47 47 TYR N N 47 115.674 115.674 116.605 -0.931 19945 11262 1 12 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.507 0.224 19945 11263 1 12 . 1 1 47 47 TYR C C 47 175.807 175.807 175.749 0.058 19945 11264 1 12 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.232 -1.625 19945 11265 1 12 . 1 1 47 47 TYR CB C 47 41.662 41.662 40.173 1.489 19945 11266 1 12 . 1 1 47 47 TYR H H 47 7.277 7.277 7.412 -0.135 19945 11267 1 12 . 1 1 48 48 ASP N N 48 121.598 121.598 121.079 0.519 19945 11268 1 12 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.896 0.012 19945 11269 1 12 . 1 1 48 48 ASP C C 48 175.030 175.030 175.164 -0.134 19945 11270 1 12 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.722 0.486 19945 11271 1 12 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.593 -0.947 19945 11272 1 12 . 1 1 48 48 ASP H H 48 9.546 9.546 8.962 0.584 19945 11273 1 12 . 1 1 49 49 ILE N N 49 119.608 119.608 119.483 0.125 19945 11274 1 12 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.183 0.111 19945 11275 1 12 . 1 1 49 49 ILE C C 49 175.059 175.059 174.276 0.783 19945 11276 1 12 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.214 0.316 19945 11277 1 12 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.705 -0.637 19945 11278 1 12 . 1 1 49 49 ILE H H 49 7.331 7.331 7.429 -0.098 19945 11279 1 12 . 1 1 50 50 LEU N N 50 127.901 127.901 125.899 2.002 19945 11280 1 12 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.129 0.531 19945 11281 1 12 . 1 1 50 50 LEU C C 50 174.598 174.598 174.973 -0.375 19945 11282 1 12 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.453 -0.634 19945 11283 1 12 . 1 1 50 50 LEU CB C 50 48.037 48.037 46.199 1.838 19945 11284 1 12 . 1 1 50 50 LEU H H 50 9.095 9.095 8.850 0.245 19945 11285 1 12 . 1 1 51 51 LEU N N 51 123.440 123.440 123.600 -0.160 19945 11286 1 12 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.216 0.816 19945 11287 1 12 . 1 1 51 51 LEU C C 51 175.894 175.894 175.412 0.482 19945 11288 1 12 . 1 1 51 51 LEU CA C 51 53.311 53.311 53.936 -0.625 19945 11289 1 12 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.897 0.421 19945 11290 1 12 . 1 1 51 51 LEU H H 51 9.275 9.275 9.080 0.195 19945 11291 1 12 . 1 1 52 52 LEU N N 52 123.320 123.320 124.562 -1.242 19945 11292 1 12 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.475 0.181 19945 11293 1 12 . 1 1 52 52 LEU C C 52 173.763 173.763 175.961 -2.198 19945 11294 1 12 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.239 -0.362 19945 11295 1 12 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.838 -2.352 19945 11296 1 12 . 1 1 52 52 LEU H H 52 9.024 9.024 9.138 -0.114 19945 11297 1 12 . 1 1 53 53 GLY N N 53 110.739 110.739 112.250 -1.511 19945 11298 1 12 . 1 1 53 53 GLY C C 53 174.530 174.530 172.160 2.370 19945 11299 1 12 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.280 -0.291 19945 11300 1 12 . 1 1 53 53 GLY H H 53 9.283 9.283 9.264 0.019 19945 11301 1 12 . 1 1 54 54 ILE N N 54 126.032 126.032 125.379 0.653 19945 11302 1 12 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.515 0.691 19945 11303 1 12 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.631 -0.624 19945 11304 1 12 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.457 1.533 19945 11305 1 12 . 1 1 54 54 ILE H H 54 9.136 9.136 8.406 0.730 19945 11306 1 12 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.686 0.631 19945 11307 1 12 . 1 1 55 55 PRO C C 55 174.771 174.771 176.373 -1.602 19945 11308 1 12 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.969 -0.221 19945 11309 1 12 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.471 -0.457 19945 11310 1 12 . 1 1 56 56 THR N N 56 113.710 113.710 116.012 -2.302 19945 11311 1 12 . 1 1 56 56 THR HA H 56 4.582 4.582 4.966 -0.384 19945 11312 1 12 . 1 1 56 56 THR C C 56 171.719 171.719 173.853 -2.134 19945 11313 1 12 . 1 1 56 56 THR CA C 56 62.383 62.383 62.428 -0.045 19945 11314 1 12 . 1 1 56 56 THR CB C 56 69.692 69.692 70.269 -0.577 19945 11315 1 12 . 1 1 56 56 THR H H 56 6.599 6.599 8.133 -1.534 19945 11316 1 12 . 1 1 57 57 TRP N N 57 130.050 130.050 125.304 4.746 19945 11317 1 12 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.758 -2.132 19945 11318 1 12 . 1 1 57 57 TRP C C 57 172.611 172.611 175.473 -2.862 19945 11319 1 12 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.589 -0.314 19945 11320 1 12 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.800 1.954 19945 11321 1 12 . 1 1 57 57 TRP H H 57 8.865 8.865 8.868 -0.003 19945 11322 1 12 . 1 1 58 58 TYR N N 58 112.793 112.793 121.619 -8.826 19945 11323 1 12 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.094 0.122 19945 11324 1 12 . 1 1 58 58 TYR C C 58 173.619 173.619 174.722 -1.103 19945 11325 1 12 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.699 0.501 19945 11326 1 12 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.787 -1.587 19945 11327 1 12 . 1 1 58 58 TYR H H 58 5.730 5.730 8.721 -2.991 19945 11328 1 12 . 1 1 59 59 TYR N N 59 112.220 112.220 116.041 -3.821 19945 11329 1 12 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.799 -0.404 19945 11330 1 12 . 1 1 59 59 TYR C C 59 175.865 175.865 174.366 1.499 19945 11331 1 12 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.634 1.826 19945 11332 1 12 . 1 1 59 59 TYR CB C 59 33.610 33.610 34.646 -1.036 19945 11333 1 12 . 1 1 59 59 TYR H H 59 7.661 7.661 8.238 -0.577 19945 11334 1 12 . 1 1 60 60 GLY N N 60 104.550 104.550 106.807 -2.257 19945 11335 1 12 . 1 1 60 60 GLY C C 60 174.483 174.483 173.810 0.673 19945 11336 1 12 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.128 1.050 19945 11337 1 12 . 1 1 60 60 GLY H H 60 8.142 8.142 8.142 0.000 19945 11338 1 12 . 1 1 61 61 GLU N N 61 120.991 120.991 119.001 1.990 19945 11339 1 12 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.820 -0.382 19945 11340 1 12 . 1 1 61 61 GLU C C 61 175.548 175.548 174.549 0.999 19945 11341 1 12 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.017 1.458 19945 11342 1 12 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.450 -2.950 19945 11343 1 12 . 1 1 61 61 GLU H H 61 8.307 8.307 8.305 0.002 19945 11344 1 12 . 1 1 62 62 ALA N N 62 122.750 122.750 125.624 -2.874 19945 11345 1 12 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.600 -0.394 19945 11346 1 12 . 1 1 62 62 ALA C C 62 176.671 176.671 177.187 -0.516 19945 11347 1 12 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.706 0.104 19945 11348 1 12 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.956 1.250 19945 11349 1 12 . 1 1 62 62 ALA H H 62 8.722 8.722 8.578 0.144 19945 11350 1 12 . 1 1 63 63 GLN N N 63 120.579 120.579 120.664 -0.085 19945 11351 1 12 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.065 -0.179 19945 11352 1 12 . 1 1 63 63 GLN C C 63 176.757 176.757 177.097 -0.340 19945 11353 1 12 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.186 2.423 19945 11354 1 12 . 1 1 63 63 GLN H H 63 6.302 6.302 8.668 -2.366 19945 11355 1 12 . 1 1 64 64 CYS N N 64 125.487 125.487 124.437 1.050 19945 11356 1 12 . 1 1 64 64 CYS HA H 64 4.111 4.111 3.983 0.128 19945 11357 1 12 . 1 1 64 64 CYS C C 64 174.972 174.972 176.039 -1.067 19945 11358 1 12 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.018 -0.529 19945 11359 1 12 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.493 0.089 19945 11360 1 12 . 1 1 64 64 CYS H H 64 9.091 9.091 8.691 0.400 19945 11361 1 12 . 1 1 65 65 ASP N N 65 120.298 120.298 119.793 0.505 19945 11362 1 12 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.213 0.186 19945 11363 1 12 . 1 1 65 65 ASP C C 65 179.000 179.000 176.956 2.044 19945 11364 1 12 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.123 1.010 19945 11365 1 12 . 1 1 65 65 ASP CB C 65 41.223 41.223 39.974 1.249 19945 11366 1 12 . 1 1 65 65 ASP H H 65 7.093 7.093 8.411 -1.318 19945 11367 1 12 . 1 1 66 66 TRP N N 66 122.608 122.608 119.391 3.217 19945 11368 1 12 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.349 -0.133 19945 11369 1 12 . 1 1 66 66 TRP C C 66 176.930 176.930 177.390 -0.460 19945 11370 1 12 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.080 1.443 19945 11371 1 12 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.709 0.253 19945 11372 1 12 . 1 1 66 66 TRP H H 66 7.394 7.394 7.588 -0.194 19945 11373 1 12 . 1 1 67 67 ASP N N 67 118.860 118.860 118.782 0.078 19945 11374 1 12 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.533 -0.008 19945 11375 1 12 . 1 1 67 67 ASP C C 67 179.579 179.579 177.619 1.960 19945 11376 1 12 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.774 0.567 19945 11377 1 12 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.586 1.814 19945 11378 1 12 . 1 1 67 67 ASP H H 67 8.087 8.087 7.823 0.264 19945 11379 1 12 . 1 1 68 68 ASP N N 68 116.220 116.220 118.389 -2.169 19945 11380 1 12 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.398 -0.042 19945 11381 1 12 . 1 1 68 68 ASP C C 68 176.873 176.873 177.211 -0.338 19945 11382 1 12 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.276 -0.021 19945 11383 1 12 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.098 -0.291 19945 11384 1 12 . 1 1 68 68 ASP H H 68 8.056 8.056 7.970 0.086 19945 11385 1 12 . 1 1 69 69 PHE N N 69 120.493 120.493 119.145 1.348 19945 11386 1 12 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.377 -0.014 19945 11387 1 12 . 1 1 69 69 PHE C C 69 177.103 177.103 176.532 0.571 19945 11388 1 12 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.507 -0.578 19945 11389 1 12 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.756 1.774 19945 11390 1 12 . 1 1 69 69 PHE H H 69 7.659 7.659 7.530 0.129 19945 11391 1 12 . 1 1 70 70 PHE N N 70 122.293 122.293 119.676 2.617 19945 11392 1 12 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.340 0.678 19945 11393 1 12 . 1 1 70 70 PHE C C 70 174.396 174.396 174.675 -0.279 19945 11394 1 12 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.472 -2.349 19945 11395 1 12 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.450 -0.695 19945 11396 1 12 . 1 1 70 70 PHE H H 70 8.197 8.197 8.249 -0.052 19945 11397 1 12 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.539 -0.141 19945 11398 1 12 . 1 1 71 71 PRO C C 71 179.118 179.118 177.560 1.558 19945 11399 1 12 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.757 1.610 19945 11400 1 12 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.185 -0.255 19945 11401 1 12 . 1 1 72 72 THR N N 72 114.461 114.461 113.906 0.555 19945 11402 1 12 . 1 1 72 72 THR HA H 72 3.816 3.816 4.191 -0.375 19945 11403 1 12 . 1 1 72 72 THR C C 72 176.498 176.498 176.490 0.008 19945 11404 1 12 . 1 1 72 72 THR CA C 72 65.803 65.803 64.383 1.420 19945 11405 1 12 . 1 1 72 72 THR CB C 72 67.203 67.203 69.120 -1.917 19945 11406 1 12 . 1 1 72 72 THR H H 72 7.534 7.534 7.564 -0.030 19945 11407 1 12 . 1 1 73 73 LEU N N 73 124.812 124.812 123.940 0.872 19945 11408 1 12 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.172 -0.082 19945 11409 1 12 . 1 1 73 73 LEU C C 73 177.996 177.996 177.979 0.017 19945 11410 1 12 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.255 -0.104 19945 11411 1 12 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.099 1.687 19945 11412 1 12 . 1 1 73 73 LEU H H 73 8.123 8.123 8.042 0.081 19945 11413 1 12 . 1 1 74 74 GLU N N 74 111.877 111.877 117.128 -5.251 19945 11414 1 12 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.139 -0.314 19945 11415 1 12 . 1 1 74 74 GLU C C 74 176.930 176.930 178.016 -1.086 19945 11416 1 12 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.807 -1.132 19945 11417 1 12 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.962 1.059 19945 11418 1 12 . 1 1 74 74 GLU H H 74 7.933 7.933 8.327 -0.394 19945 11419 1 12 . 1 1 75 75 GLU N N 75 116.571 116.571 118.007 -1.436 19945 11420 1 12 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.346 0.001 19945 11421 1 12 . 1 1 75 75 GLU C C 75 177.045 177.045 176.675 0.370 19945 11422 1 12 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.959 0.067 19945 11423 1 12 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.263 0.246 19945 11424 1 12 . 1 1 75 75 GLU H H 75 7.659 7.659 7.891 -0.232 19945 11425 1 12 . 1 1 76 76 ILE N N 76 123.080 123.080 119.859 3.221 19945 11426 1 12 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.946 -0.169 19945 11427 1 12 . 1 1 76 76 ILE C C 76 174.656 174.656 174.556 0.100 19945 11428 1 12 . 1 1 76 76 ILE CA C 76 62.074 62.074 60.780 1.294 19945 11429 1 12 . 1 1 76 76 ILE CB C 76 39.005 39.005 39.057 -0.052 19945 11430 1 12 . 1 1 76 76 ILE H H 76 7.468 7.468 7.399 0.069 19945 11431 1 12 . 1 1 77 77 ASP N N 77 126.540 126.540 123.563 2.977 19945 11432 1 12 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.544 0.269 19945 11433 1 12 . 1 1 77 77 ASP C C 77 176.614 176.614 174.957 1.657 19945 11434 1 12 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.816 -0.675 19945 11435 1 12 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.958 -1.093 19945 11436 1 12 . 1 1 77 77 ASP H H 77 8.605 8.605 8.176 0.429 19945 11437 1 12 . 1 1 78 78 PHE N N 78 124.583 124.583 122.652 1.931 19945 11438 1 12 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.691 -0.531 19945 11439 1 12 . 1 1 78 78 PHE C C 78 175.347 175.347 175.065 0.282 19945 11440 1 12 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.862 2.280 19945 11441 1 12 . 1 1 78 78 PHE CB C 78 40.168 40.168 40.178 -0.010 19945 11442 1 12 . 1 1 78 78 PHE H H 78 8.053 8.053 8.294 -0.241 19945 11443 1 12 . 1 1 79 79 ASN N N 79 121.321 121.321 119.131 2.190 19945 11444 1 12 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.601 -0.084 19945 11445 1 12 . 1 1 79 79 ASN C C 79 176.815 176.815 176.766 0.049 19945 11446 1 12 . 1 1 79 79 ASN CA C 79 56.452 56.452 54.124 2.328 19945 11447 1 12 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.346 0.393 19945 11448 1 12 . 1 1 79 79 ASN H H 79 8.695 8.695 8.435 0.260 19945 11449 1 12 . 1 1 80 80 GLY N N 80 114.150 114.150 112.882 1.268 19945 11450 1 12 . 1 1 80 80 GLY C C 80 174.195 174.195 174.906 -0.711 19945 11451 1 12 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.552 0.094 19945 11452 1 12 . 1 1 80 80 GLY H H 80 8.646 8.646 8.271 0.375 19945 11453 1 12 . 1 1 81 81 LYS N N 81 119.318 119.318 121.053 -1.735 19945 11454 1 12 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.445 0.592 19945 11455 1 12 . 1 1 81 81 LYS C C 81 176.268 176.268 175.768 0.500 19945 11456 1 12 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.603 -0.607 19945 11457 1 12 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.998 -0.042 19945 11458 1 12 . 1 1 81 81 LYS H H 81 8.295 8.295 7.856 0.439 19945 11459 1 12 . 1 1 82 82 LEU N N 82 127.000 127.000 123.666 3.334 19945 11460 1 12 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.970 0.260 19945 11461 1 12 . 1 1 82 82 LEU C C 82 175.347 175.347 175.857 -0.510 19945 11462 1 12 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.224 -0.420 19945 11463 1 12 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.273 0.878 19945 11464 1 12 . 1 1 82 82 LEU H H 82 8.407 8.407 8.774 -0.367 19945 11465 1 12 . 1 1 83 83 VAL N N 83 121.665 121.665 122.021 -0.356 19945 11466 1 12 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.294 0.546 19945 11467 1 12 . 1 1 83 83 VAL C C 83 173.417 173.417 174.131 -0.714 19945 11468 1 12 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.014 -0.812 19945 11469 1 12 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.932 0.416 19945 11470 1 12 . 1 1 83 83 VAL H H 83 8.960 8.960 9.110 -0.150 19945 11471 1 12 . 1 1 84 84 ALA N N 84 128.017 128.017 126.932 1.085 19945 11472 1 12 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.615 -0.282 19945 11473 1 12 . 1 1 84 84 ALA C C 84 175.231 175.231 175.600 -0.369 19945 11474 1 12 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.461 0.967 19945 11475 1 12 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.196 0.932 19945 11476 1 12 . 1 1 84 84 ALA H H 84 9.021 9.021 9.030 -0.009 19945 11477 1 12 . 1 1 85 85 LEU N N 85 124.220 124.220 120.353 3.867 19945 11478 1 12 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.485 0.127 19945 11479 1 12 . 1 1 85 85 LEU C C 85 174.454 174.454 175.730 -1.276 19945 11480 1 12 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.253 -0.280 19945 11481 1 12 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.766 0.146 19945 11482 1 12 . 1 1 85 85 LEU H H 85 11.134 11.134 8.850 2.284 19945 11483 1 12 . 1 1 86 86 PHE N N 86 114.461 114.461 117.384 -2.923 19945 11484 1 12 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.412 -0.190 19945 11485 1 12 . 1 1 86 86 PHE C C 86 173.619 173.619 173.863 -0.244 19945 11486 1 12 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.108 -0.430 19945 11487 1 12 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.013 0.967 19945 11488 1 12 . 1 1 86 86 PHE H H 86 8.829 8.829 8.867 -0.038 19945 11489 1 12 . 1 1 87 87 GLY N N 87 104.437 104.437 106.264 -1.827 19945 11490 1 12 . 1 1 87 87 GLY C C 87 170.423 170.423 171.791 -1.368 19945 11491 1 12 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.424 0.506 19945 11492 1 12 . 1 1 87 87 GLY H H 87 8.496 8.496 8.541 -0.045 19945 11493 1 12 . 1 1 88 88 CYS N N 88 114.166 114.166 115.580 -1.414 19945 11494 1 12 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.759 1.244 19945 11495 1 12 . 1 1 88 88 CYS C C 88 174.425 174.425 173.206 1.219 19945 11496 1 12 . 1 1 88 88 CYS CA C 88 56.538 56.538 56.685 -0.147 19945 11497 1 12 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.246 0.055 19945 11498 1 12 . 1 1 88 88 CYS H H 88 5.354 5.354 8.425 -3.071 19945 11499 1 12 . 1 1 89 89 GLY N N 89 109.463 109.463 107.362 2.101 19945 11500 1 12 . 1 1 89 89 GLY C C 89 173.187 173.187 171.995 1.192 19945 11501 1 12 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.109 1.333 19945 11502 1 12 . 1 1 89 89 GLY H H 89 8.404 8.404 7.970 0.434 19945 11503 1 12 . 1 1 90 90 ASP N N 90 123.090 123.090 118.934 4.156 19945 11504 1 12 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.879 0.920 19945 11505 1 12 . 1 1 90 90 ASP C C 90 176.095 176.095 174.879 1.216 19945 11506 1 12 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.023 -0.470 19945 11507 1 12 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.665 -0.410 19945 11508 1 12 . 1 1 90 90 ASP H H 90 8.698 8.698 8.534 0.164 19945 11509 1 12 . 1 1 91 91 GLN N N 91 123.780 123.780 123.115 0.665 19945 11510 1 12 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.239 -0.543 19945 11511 1 12 . 1 1 91 91 GLN C C 91 173.639 173.639 174.822 -1.183 19945 11512 1 12 . 1 1 91 91 GLN CA C 91 57.060 57.060 54.700 2.360 19945 11513 1 12 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.692 0.749 19945 11514 1 12 . 1 1 91 91 GLN H H 91 9.675 9.675 8.522 1.153 19945 11515 1 12 . 1 1 92 92 GLU N N 92 118.631 118.631 119.612 -0.981 19945 11516 1 12 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.333 0.258 19945 11517 1 12 . 1 1 92 92 GLU C C 92 177.247 177.247 176.428 0.819 19945 11518 1 12 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.873 -0.537 19945 11519 1 12 . 1 1 92 92 GLU CB C 92 30.770 30.770 31.186 -0.416 19945 11520 1 12 . 1 1 92 92 GLU H H 92 8.396 8.396 8.540 -0.144 19945 11521 1 12 . 1 1 93 93 ASP N N 93 120.889 120.889 119.032 1.857 19945 11522 1 12 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.587 -0.305 19945 11523 1 12 . 1 1 93 93 ASP C C 93 175.986 175.986 177.350 -1.364 19945 11524 1 12 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.957 0.468 19945 11525 1 12 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.203 -1.953 19945 11526 1 12 . 1 1 93 93 ASP H H 93 7.779 7.779 8.688 -0.909 19945 11527 1 12 . 1 1 94 94 TYR N N 94 117.028 117.028 119.385 -2.357 19945 11528 1 12 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.876 -0.191 19945 11529 1 12 . 1 1 94 94 TYR C C 94 175.519 175.519 176.948 -1.429 19945 11530 1 12 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.569 -1.190 19945 11531 1 12 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.971 -1.129 19945 11532 1 12 . 1 1 94 94 TYR H H 94 6.693 6.693 8.632 -1.939 19945 11533 1 12 . 1 1 95 95 ALA N N 95 121.950 121.950 123.398 -1.448 19945 11534 1 12 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.087 0.069 19945 11535 1 12 . 1 1 95 95 ALA C C 95 179.723 179.723 178.328 1.395 19945 11536 1 12 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.672 1.251 19945 11537 1 12 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.355 2.200 19945 11538 1 12 . 1 1 95 95 ALA H H 95 6.962 6.962 8.420 -1.458 19945 11539 1 12 . 1 1 96 96 GLU N N 96 115.884 115.884 115.582 0.302 19945 11540 1 12 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.153 0.153 19945 11541 1 12 . 1 1 96 96 GLU C C 96 174.684 174.684 175.825 -1.141 19945 11542 1 12 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.142 -0.157 19945 11543 1 12 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.328 -0.152 19945 11544 1 12 . 1 1 96 96 GLU H H 96 9.327 9.327 8.618 0.709 19945 11545 1 12 . 1 1 97 97 TYR N N 97 121.836 121.836 113.825 8.011 19945 11546 1 12 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.810 0.599 19945 11547 1 12 . 1 1 97 97 TYR C C 97 179.953 179.953 175.068 4.885 19945 11548 1 12 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.187 0.255 19945 11549 1 12 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.939 2.353 19945 11550 1 12 . 1 1 97 97 TYR H H 97 8.175 8.175 7.724 0.451 19945 11551 1 12 . 1 1 98 98 PHE N N 98 124.580 124.580 124.490 0.090 19945 11552 1 12 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.522 0.615 19945 11553 1 12 . 1 1 98 98 PHE C C 98 174.742 174.742 175.567 -0.825 19945 11554 1 12 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.517 -0.854 19945 11555 1 12 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.196 -0.541 19945 11556 1 12 . 1 1 98 98 PHE H H 98 7.889 7.889 7.728 0.161 19945 11557 1 12 . 1 1 99 99 CYS N N 99 120.329 120.329 122.587 -2.258 19945 11558 1 12 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.743 -0.091 19945 11559 1 12 . 1 1 99 99 CYS C C 99 175.087 175.087 175.389 -0.302 19945 11560 1 12 . 1 1 99 99 CYS CA C 99 62.876 62.876 59.933 2.943 19945 11561 1 12 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.286 -1.286 19945 11562 1 12 . 1 1 99 99 CYS H H 99 8.617 8.617 8.719 -0.102 19945 11563 1 12 . 1 1 100 100 ASP N N 100 116.705 116.705 121.660 -4.955 19945 11564 1 12 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.332 -0.387 19945 11565 1 12 . 1 1 100 100 ASP C C 100 178.888 178.888 176.918 1.970 19945 11566 1 12 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.466 0.662 19945 11567 1 12 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.122 0.828 19945 11568 1 12 . 1 1 100 100 ASP H H 100 7.104 7.104 8.099 -0.995 19945 11569 1 12 . 1 1 101 101 ALA N N 101 118.631 118.631 121.133 -2.502 19945 11570 1 12 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.241 -0.090 19945 11571 1 12 . 1 1 101 101 ALA C C 101 178.600 178.600 179.209 -0.609 19945 11572 1 12 . 1 1 101 101 ALA CA C 101 54.397 54.397 53.891 0.506 19945 11573 1 12 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.649 0.161 19945 11574 1 12 . 1 1 101 101 ALA H H 101 8.716 8.716 7.670 1.046 19945 11575 1 12 . 1 1 102 102 LEU N N 102 115.083 115.083 118.673 -3.590 19945 11576 1 12 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.815 -0.201 19945 11577 1 12 . 1 1 102 102 LEU C C 102 179.573 179.573 178.951 0.622 19945 11578 1 12 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.337 0.507 19945 11579 1 12 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.507 1.207 19945 11580 1 12 . 1 1 102 102 LEU H H 102 7.171 7.171 7.677 -0.506 19945 11581 1 12 . 1 1 103 103 GLY N N 103 104.501 104.501 104.679 -0.178 19945 11582 1 12 . 1 1 103 103 GLY C C 103 175.145 175.145 175.283 -0.138 19945 11583 1 12 . 1 1 103 103 GLY CA C 103 46.708 46.708 46.954 -0.246 19945 11584 1 12 . 1 1 103 103 GLY H H 103 7.365 7.365 7.808 -0.443 19945 11585 1 12 . 1 1 104 104 THR N N 104 118.860 118.860 117.720 1.140 19945 11586 1 12 . 1 1 104 104 THR HA H 104 3.737 3.737 3.869 -0.132 19945 11587 1 12 . 1 1 104 104 THR C C 104 176.354 176.354 175.766 0.588 19945 11588 1 12 . 1 1 104 104 THR CA C 104 65.799 65.799 66.159 -0.360 19945 11589 1 12 . 1 1 104 104 THR CB C 104 67.961 67.961 68.668 -0.707 19945 11590 1 12 . 1 1 104 104 THR H H 104 7.343 7.343 7.375 -0.032 19945 11591 1 12 . 1 1 105 105 ILE N N 105 118.663 118.663 119.695 -1.032 19945 11592 1 12 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.546 -0.042 19945 11593 1 12 . 1 1 105 105 ILE C C 105 177.391 177.391 177.000 0.391 19945 11594 1 12 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.004 1.546 19945 11595 1 12 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.508 0.242 19945 11596 1 12 . 1 1 105 105 ILE H H 105 7.589 7.589 7.216 0.373 19945 11597 1 12 . 1 1 106 106 ARG N N 106 126.041 126.041 120.794 5.247 19945 11598 1 12 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.778 -0.198 19945 11599 1 12 . 1 1 106 106 ARG C C 106 176.614 176.614 178.019 -1.405 19945 11600 1 12 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.039 0.228 19945 11601 1 12 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.923 -2.607 19945 11602 1 12 . 1 1 106 106 ARG H H 106 7.307 7.307 7.478 -0.171 19945 11603 1 12 . 1 1 107 107 ASP N N 107 117.480 117.480 118.593 -1.113 19945 11604 1 12 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.430 -0.082 19945 11605 1 12 . 1 1 107 107 ASP C C 107 177.189 177.189 177.586 -0.397 19945 11606 1 12 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.688 -0.188 19945 11607 1 12 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.639 -0.965 19945 11608 1 12 . 1 1 107 107 ASP H H 107 8.202 8.202 8.013 0.189 19945 11609 1 12 . 1 1 108 108 ILE N N 108 117.715 117.715 117.808 -0.093 19945 11610 1 12 . 1 1 108 108 ILE HA H 108 3.856 3.856 4.018 -0.162 19945 11611 1 12 . 1 1 108 108 ILE C C 108 178.427 178.427 177.691 0.736 19945 11612 1 12 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.406 0.571 19945 11613 1 12 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.080 0.372 19945 11614 1 12 . 1 1 108 108 ILE H H 108 7.107 7.107 7.520 -0.413 19945 11615 1 12 . 1 1 109 109 ILE N N 109 111.534 111.534 117.843 -6.309 19945 11616 1 12 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.805 -0.070 19945 11617 1 12 . 1 1 109 109 ILE C C 109 177.305 177.305 177.352 -0.047 19945 11618 1 12 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.649 -0.044 19945 11619 1 12 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.719 -0.308 19945 11620 1 12 . 1 1 109 109 ILE H H 109 7.501 7.501 8.199 -0.698 19945 11621 1 12 . 1 1 110 110 GLU N N 110 127.123 127.123 122.690 4.433 19945 11622 1 12 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.540 -0.242 19945 11623 1 12 . 1 1 110 110 GLU C C 110 177.391 177.391 176.919 0.472 19945 11624 1 12 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.071 2.260 19945 11625 1 12 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.320 -0.472 19945 11626 1 12 . 1 1 110 110 GLU H H 110 8.867 8.867 8.485 0.382 19945 11627 1 12 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.304 0.312 19945 11628 1 12 . 1 1 111 111 PRO C C 111 177.417 177.417 178.134 -0.717 19945 11629 1 12 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.754 0.481 19945 11630 1 12 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.580 -0.545 19945 11631 1 12 . 1 1 112 112 ARG N N 112 114.612 114.612 115.830 -1.218 19945 11632 1 12 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.336 0.232 19945 11633 1 12 . 1 1 112 112 ARG C C 112 175.792 175.792 176.601 -0.809 19945 11634 1 12 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.495 0.246 19945 11635 1 12 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.813 0.691 19945 11636 1 12 . 1 1 112 112 ARG H H 112 6.542 6.542 7.627 -1.085 19945 11637 1 12 . 1 1 113 113 GLY N N 113 106.474 106.474 105.341 1.133 19945 11638 1 12 . 1 1 113 113 GLY C C 113 174.347 174.347 173.920 0.427 19945 11639 1 12 . 1 1 113 113 GLY CA C 113 45.640 45.640 44.961 0.679 19945 11640 1 12 . 1 1 113 113 GLY H H 113 7.845 7.845 8.056 -0.211 19945 11641 1 12 . 1 1 114 114 ALA N N 114 122.280 122.280 124.545 -2.265 19945 11642 1 12 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.753 -0.474 19945 11643 1 12 . 1 1 114 114 ALA C C 114 176.785 176.785 177.461 -0.676 19945 11644 1 12 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.457 0.934 19945 11645 1 12 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.431 0.181 19945 11646 1 12 . 1 1 114 114 ALA H H 114 7.535 7.535 8.062 -0.527 19945 11647 1 12 . 1 1 115 115 THR N N 115 120.909 120.909 120.340 0.569 19945 11648 1 12 . 1 1 115 115 THR HA H 115 4.478 4.478 4.584 -0.106 19945 11649 1 12 . 1 1 115 115 THR C C 115 172.963 172.963 173.236 -0.273 19945 11650 1 12 . 1 1 115 115 THR CA C 115 62.825 62.825 62.842 -0.017 19945 11651 1 12 . 1 1 115 115 THR CB C 115 69.501 69.501 69.312 0.189 19945 11652 1 12 . 1 1 115 115 THR H H 115 7.902 7.902 8.870 -0.968 19945 11653 1 12 . 1 1 116 116 ILE N N 116 129.162 129.162 128.422 0.740 19945 11654 1 12 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.089 0.208 19945 11655 1 12 . 1 1 116 116 ILE C C 116 177.056 177.056 176.100 0.956 19945 11656 1 12 . 1 1 116 116 ILE CA C 116 60.523 60.523 58.567 1.956 19945 11657 1 12 . 1 1 116 116 ILE CB C 116 38.300 38.300 37.841 0.459 19945 11658 1 12 . 1 1 116 116 ILE H H 116 8.784 8.784 8.835 -0.051 19945 11659 1 12 . 1 1 117 117 VAL N N 117 122.981 122.981 122.383 0.598 19945 11660 1 12 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.659 -0.065 19945 11661 1 12 . 1 1 117 117 VAL C C 117 175.190 175.190 175.994 -0.804 19945 11662 1 12 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.393 -0.464 19945 11663 1 12 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.617 -2.253 19945 11664 1 12 . 1 1 117 117 VAL H H 117 8.812 8.812 8.887 -0.075 19945 11665 1 12 . 1 1 118 118 GLY N N 118 108.558 108.558 105.777 2.781 19945 11666 1 12 . 1 1 118 118 GLY C C 118 175.792 175.792 174.359 1.433 19945 11667 1 12 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.697 2.049 19945 11668 1 12 . 1 1 118 118 GLY H H 118 9.297 9.297 8.615 0.682 19945 11669 1 12 . 1 1 119 119 HIS N N 119 118.402 118.402 118.963 -0.561 19945 11670 1 12 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.880 -0.108 19945 11671 1 12 . 1 1 119 119 HIS C C 119 175.866 175.866 175.029 0.837 19945 11672 1 12 . 1 1 119 119 HIS CA C 119 55.602 55.602 56.763 -1.161 19945 11673 1 12 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.215 -1.359 19945 11674 1 12 . 1 1 119 119 HIS H H 119 8.901 8.901 7.997 0.904 19945 11675 1 12 . 1 1 120 120 TRP N N 120 124.300 124.300 124.698 -0.398 19945 11676 1 12 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.276 1.017 19945 11677 1 12 . 1 1 120 120 TRP C C 120 173.113 173.113 173.211 -0.098 19945 11678 1 12 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.102 -0.598 19945 11679 1 12 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.788 2.498 19945 11680 1 12 . 1 1 120 120 TRP H H 120 8.455 8.455 8.783 -0.328 19945 11681 1 12 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.852 0.745 19945 11682 1 12 . 1 1 121 121 PRO C C 121 176.243 176.243 176.480 -0.237 19945 11683 1 12 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.884 0.566 19945 11684 1 12 . 1 1 121 121 PRO CB C 121 32.097 32.097 31.961 0.136 19945 11685 1 12 . 1 1 122 122 THR N N 122 110.568 110.568 112.315 -1.747 19945 11686 1 12 . 1 1 122 122 THR HA H 122 4.232 4.232 4.264 -0.032 19945 11687 1 12 . 1 1 122 122 THR C C 122 176.424 176.424 176.053 0.371 19945 11688 1 12 . 1 1 122 122 THR CA C 122 62.079 62.079 62.148 -0.069 19945 11689 1 12 . 1 1 122 122 THR CB C 122 68.758 68.758 68.852 -0.094 19945 11690 1 12 . 1 1 122 122 THR H H 122 7.560 7.560 8.112 -0.552 19945 11691 1 12 . 1 1 123 123 ALA N N 123 126.038 126.038 122.850 3.188 19945 11692 1 12 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.941 0.328 19945 11693 1 12 . 1 1 123 123 ALA C C 123 178.862 178.862 177.583 1.279 19945 11694 1 12 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.889 0.993 19945 11695 1 12 . 1 1 123 123 ALA CB C 123 18.284 18.284 16.682 1.602 19945 11696 1 12 . 1 1 123 123 ALA H H 123 7.144 7.144 8.288 -1.144 19945 11697 1 12 . 1 1 124 124 GLY N N 124 111.468 111.468 103.539 7.929 19945 11698 1 12 . 1 1 124 124 GLY C C 124 173.775 173.775 174.605 -0.830 19945 11699 1 12 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.622 0.759 19945 11700 1 12 . 1 1 124 124 GLY H H 124 9.058 9.058 8.258 0.800 19945 11701 1 12 . 1 1 125 125 TYR N N 125 119.088 119.088 119.797 -0.709 19945 11702 1 12 . 1 1 125 125 TYR HA H 125 4.942 4.942 2.788 2.154 19945 11703 1 12 . 1 1 125 125 TYR C C 125 175.581 175.581 176.502 -0.921 19945 11704 1 12 . 1 1 125 125 TYR CA C 125 56.762 56.762 60.027 -3.265 19945 11705 1 12 . 1 1 125 125 TYR CB C 125 40.550 40.550 37.449 3.101 19945 11706 1 12 . 1 1 125 125 TYR H H 125 8.008 8.008 7.238 0.770 19945 11707 1 12 . 1 1 126 126 HIS N N 126 121.799 121.799 118.016 3.783 19945 11708 1 12 . 1 1 126 126 HIS HA H 126 5.013 5.013 3.641 1.372 19945 11709 1 12 . 1 1 126 126 HIS C C 126 171.969 171.969 172.682 -0.713 19945 11710 1 12 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.285 -2.138 19945 11711 1 12 . 1 1 126 126 HIS CB C 126 28.387 28.387 28.788 -0.401 19945 11712 1 12 . 1 1 126 126 HIS H H 126 9.512 9.512 7.485 2.027 19945 11713 1 12 . 1 1 127 127 PHE N N 127 117.258 117.258 115.784 1.474 19945 11714 1 12 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.317 0.606 19945 11715 1 12 . 1 1 127 127 PHE C C 127 172.722 172.722 176.853 -4.131 19945 11716 1 12 . 1 1 127 127 PHE CA C 127 55.300 55.300 55.090 0.210 19945 11717 1 12 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.683 0.071 19945 11718 1 12 . 1 1 127 127 PHE H H 127 7.397 7.397 6.509 0.888 19945 11719 1 12 . 1 1 128 128 GLU N N 128 120.484 120.484 119.867 0.617 19945 11720 1 12 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.004 0.359 19945 11721 1 12 . 1 1 128 128 GLU C C 128 176.033 176.033 175.991 0.042 19945 11722 1 12 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.307 -1.239 19945 11723 1 12 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.145 1.687 19945 11724 1 12 . 1 1 128 128 GLU H H 128 8.492 8.492 8.738 -0.246 19945 11725 1 12 . 1 1 129 129 ALA N N 129 123.500 123.500 119.183 4.317 19945 11726 1 12 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.745 -0.047 19945 11727 1 12 . 1 1 129 129 ALA C C 129 174.016 174.016 175.351 -1.335 19945 11728 1 12 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.804 0.650 19945 11729 1 12 . 1 1 129 129 ALA CB C 129 22.003 22.003 22.007 -0.004 19945 11730 1 12 . 1 1 129 129 ALA H H 129 9.155 9.155 7.940 1.215 19945 11731 1 12 . 1 1 130 130 SER N N 130 110.807 110.807 115.878 -5.071 19945 11732 1 12 . 1 1 130 130 SER HA H 130 4.942 4.942 5.113 -0.171 19945 11733 1 12 . 1 1 130 130 SER C C 130 176.665 176.665 174.933 1.732 19945 11734 1 12 . 1 1 130 130 SER CA C 130 57.471 57.471 57.981 -0.510 19945 11735 1 12 . 1 1 130 130 SER CB C 130 67.205 67.205 66.722 0.482 19945 11736 1 12 . 1 1 130 130 SER H H 130 8.101 8.101 8.483 -0.382 19945 11737 1 12 . 1 1 131 131 LYS N N 131 129.963 129.963 124.541 5.422 19945 11738 1 12 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.641 -0.192 19945 11739 1 12 . 1 1 131 131 LYS C C 131 176.533 176.533 178.039 -1.506 19945 11740 1 12 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.434 0.467 19945 11741 1 12 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.900 -0.271 19945 11742 1 12 . 1 1 131 131 LYS H H 131 9.690 9.690 8.997 0.693 19945 11743 1 12 . 1 1 132 132 GLY N N 132 107.870 107.870 108.411 -0.541 19945 11744 1 12 . 1 1 132 132 GLY C C 132 173.354 173.354 173.350 0.004 19945 11745 1 12 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.975 0.671 19945 11746 1 12 . 1 1 132 132 GLY H H 132 9.187 9.187 8.534 0.653 19945 11747 1 12 . 1 1 133 133 LEU N N 133 119.088 119.088 121.089 -2.001 19945 11748 1 12 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.177 0.466 19945 11749 1 12 . 1 1 133 133 LEU C C 133 177.748 177.748 177.033 0.715 19945 11750 1 12 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.726 -0.250 19945 11751 1 12 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.478 -0.974 19945 11752 1 12 . 1 1 133 133 LEU H H 133 7.098 7.098 7.551 -0.453 19945 11753 1 12 . 1 1 134 134 ALA N N 134 125.720 125.720 127.724 -2.004 19945 11754 1 12 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.228 0.009 19945 11755 1 12 . 1 1 134 134 ALA C C 134 176.695 176.695 177.268 -0.573 19945 11756 1 12 . 1 1 134 134 ALA CA C 134 52.288 52.288 53.515 -1.227 19945 11757 1 12 . 1 1 134 134 ALA CB C 134 19.612 19.612 19.983 -0.371 19945 11758 1 12 . 1 1 134 134 ALA H H 134 9.154 9.154 9.022 0.132 19945 11759 1 12 . 1 1 135 135 ASP N N 135 114.952 114.952 115.168 -0.216 19945 11760 1 12 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.695 -0.166 19945 11761 1 12 . 1 1 135 135 ASP C C 135 175.130 175.130 175.376 -0.246 19945 11762 1 12 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.205 -0.245 19945 11763 1 12 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.444 -2.916 19945 11764 1 12 . 1 1 135 135 ASP H H 135 8.299 8.299 7.698 0.601 19945 11765 1 12 . 1 1 136 136 ASP N N 136 114.870 114.870 121.427 -6.557 19945 11766 1 12 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.157 0.178 19945 11767 1 12 . 1 1 136 136 ASP C C 136 176.303 176.303 176.935 -0.632 19945 11768 1 12 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.088 0.756 19945 11769 1 12 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.057 -0.193 19945 11770 1 12 . 1 1 136 136 ASP H H 136 8.433 8.433 8.604 -0.171 19945 11771 1 12 . 1 1 137 137 ASP N N 137 113.709 113.709 117.334 -3.625 19945 11772 1 12 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.725 0.106 19945 11773 1 12 . 1 1 137 137 ASP C C 137 176.514 176.514 175.243 1.271 19945 11774 1 12 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.600 -0.283 19945 11775 1 12 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.176 0.282 19945 11776 1 12 . 1 1 137 137 ASP H H 137 8.232 8.232 8.224 0.008 19945 11777 1 12 . 1 1 138 138 HIS N N 138 117.829 117.829 117.286 0.543 19945 11778 1 12 . 1 1 138 138 HIS HA H 138 5.282 5.282 4.963 0.319 19945 11779 1 12 . 1 1 138 138 HIS C C 138 175.130 175.130 173.712 1.418 19945 11780 1 12 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.626 0.973 19945 11781 1 12 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.305 -1.305 19945 11782 1 12 . 1 1 138 138 HIS H H 138 7.764 7.764 7.608 0.156 19945 11783 1 12 . 1 1 139 139 PHE N N 139 123.553 123.553 121.659 1.894 19945 11784 1 12 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.939 0.080 19945 11785 1 12 . 1 1 139 139 PHE C C 139 177.477 177.477 177.829 -0.352 19945 11786 1 12 . 1 1 139 139 PHE CA C 139 58.559 58.559 57.956 0.603 19945 11787 1 12 . 1 1 139 139 PHE CB C 139 42.872 42.872 40.316 2.556 19945 11788 1 12 . 1 1 139 139 PHE H H 139 9.955 9.955 9.604 0.351 19945 11789 1 12 . 1 1 140 140 VAL N N 140 119.420 119.420 115.813 3.607 19945 11790 1 12 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.549 -0.871 19945 11791 1 12 . 1 1 140 140 VAL C C 140 173.023 173.023 175.566 -2.543 19945 11792 1 12 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.641 -1.524 19945 11793 1 12 . 1 1 140 140 VAL CB C 140 32.536 32.536 31.601 0.935 19945 11794 1 12 . 1 1 140 140 VAL H H 140 9.178 9.178 8.924 0.254 19945 11795 1 12 . 1 1 141 141 GLY N N 141 105.680 105.680 105.815 -0.135 19945 11796 1 12 . 1 1 141 141 GLY C C 141 171.284 171.284 172.946 -1.662 19945 11797 1 12 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.146 0.575 19945 11798 1 12 . 1 1 141 141 GLY H H 141 6.837 6.837 7.425 -0.588 19945 11799 1 12 . 1 1 142 142 LEU N N 142 118.516 118.516 120.633 -2.117 19945 11800 1 12 . 1 1 142 142 LEU HA H 142 3.047 3.047 4.064 -1.017 19945 11801 1 12 . 1 1 142 142 LEU C C 142 173.725 173.725 174.895 -1.170 19945 11802 1 12 . 1 1 142 142 LEU CA C 142 55.704 55.704 55.129 0.575 19945 11803 1 12 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.986 -3.247 19945 11804 1 12 . 1 1 142 142 LEU H H 142 7.423 7.423 8.319 -0.896 19945 11805 1 12 . 1 1 143 143 ALA N N 143 128.382 128.382 127.795 0.587 19945 11806 1 12 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.493 -0.019 19945 11807 1 12 . 1 1 143 143 ALA C C 143 175.685 175.685 177.832 -2.147 19945 11808 1 12 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.898 -0.267 19945 11809 1 12 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.830 0.017 19945 11810 1 12 . 1 1 143 143 ALA H H 143 5.414 5.414 7.689 -2.275 19945 11811 1 12 . 1 1 144 144 ILE N N 144 126.754 126.754 115.548 11.206 19945 11812 1 12 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.810 0.505 19945 11813 1 12 . 1 1 144 144 ILE C C 144 173.725 173.725 175.274 -1.549 19945 11814 1 12 . 1 1 144 144 ILE CA C 144 56.721 56.721 62.469 -5.748 19945 11815 1 12 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.063 -0.433 19945 11816 1 12 . 1 1 144 144 ILE H H 144 8.849 8.849 8.102 0.747 19945 11817 1 12 . 1 1 145 145 ASP N N 145 125.518 125.518 118.556 6.962 19945 11818 1 12 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.760 1.036 19945 11819 1 12 . 1 1 145 145 ASP C C 145 176.830 176.830 175.873 0.957 19945 11820 1 12 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.536 -0.983 19945 11821 1 12 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.834 -0.332 19945 11822 1 12 . 1 1 145 145 ASP H H 145 8.088 8.088 7.850 0.238 19945 11823 1 12 . 1 1 146 146 GLU N N 146 125.475 125.475 120.340 5.135 19945 11824 1 12 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.891 -0.228 19945 11825 1 12 . 1 1 146 146 GLU C C 146 177.132 177.132 175.349 1.783 19945 11826 1 12 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.553 -0.280 19945 11827 1 12 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.768 0.482 19945 11828 1 12 . 1 1 146 146 GLU H H 146 8.390 8.390 8.819 -0.429 19945 11829 1 12 . 1 1 147 147 ASP N N 147 120.137 120.137 116.045 4.092 19945 11830 1 12 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.750 -0.183 19945 11831 1 12 . 1 1 147 147 ASP C C 147 178.126 178.126 174.960 3.166 19945 11832 1 12 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.907 3.094 19945 11833 1 12 . 1 1 147 147 ASP CB C 147 43.250 43.250 43.046 0.204 19945 11834 1 12 . 1 1 147 147 ASP H H 147 8.599 8.599 8.856 -0.257 19945 11835 1 12 . 1 1 148 148 ARG N N 148 115.655 115.655 117.147 -1.492 19945 11836 1 12 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.313 0.385 19945 11837 1 12 . 1 1 148 148 ARG C C 148 177.704 177.704 174.704 3.000 19945 11838 1 12 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.740 -3.780 19945 11839 1 12 . 1 1 148 148 ARG CB C 148 30.814 30.814 32.941 -2.127 19945 11840 1 12 . 1 1 148 148 ARG H H 148 9.762 9.762 8.546 1.216 19945 11841 1 12 . 1 1 149 149 GLN N N 149 116.313 116.313 116.598 -0.285 19945 11842 1 12 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.852 0.447 19945 11843 1 12 . 1 1 149 149 GLN C C 149 175.142 175.142 173.758 1.384 19945 11844 1 12 . 1 1 149 149 GLN CA C 149 53.401 53.401 53.142 0.259 19945 11845 1 12 . 1 1 149 149 GLN CB C 149 30.841 30.841 31.530 -0.689 19945 11846 1 12 . 1 1 149 149 GLN H H 149 7.622 7.622 7.817 -0.195 19945 11847 1 12 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.825 -0.144 19945 11848 1 12 . 1 1 150 150 PRO C C 150 179.483 179.483 176.807 2.676 19945 11849 1 12 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.938 2.388 19945 11850 1 12 . 1 1 150 150 PRO CB C 150 30.652 30.652 30.997 -0.345 19945 11851 1 12 . 1 1 151 151 GLU N N 151 122.981 122.981 121.777 1.204 19945 11852 1 12 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.129 0.272 19945 11853 1 12 . 1 1 151 151 GLU C C 151 177.041 177.041 177.242 -0.201 19945 11854 1 12 . 1 1 151 151 GLU CA C 151 58.398 58.398 58.763 -0.365 19945 11855 1 12 . 1 1 151 151 GLU CB C 151 27.582 27.582 29.094 -1.512 19945 11856 1 12 . 1 1 151 151 GLU H H 151 10.520 10.520 8.442 2.078 19945 11857 1 12 . 1 1 152 152 LEU N N 152 120.119 120.119 118.659 1.460 19945 11858 1 12 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.699 -0.008 19945 11859 1 12 . 1 1 152 152 LEU C C 152 177.222 177.222 177.527 -0.305 19945 11860 1 12 . 1 1 152 152 LEU CA C 152 54.309 54.309 53.668 0.641 19945 11861 1 12 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.997 0.938 19945 11862 1 12 . 1 1 152 152 LEU H H 152 7.589 7.589 7.995 -0.406 19945 11863 1 12 . 1 1 153 153 THR N N 153 119.637 119.637 117.854 1.783 19945 11864 1 12 . 1 1 153 153 THR HA H 153 3.592 3.592 3.801 -0.209 19945 11865 1 12 . 1 1 153 153 THR C C 153 174.178 174.178 175.880 -1.702 19945 11866 1 12 . 1 1 153 153 THR CA C 153 67.960 67.960 67.610 0.350 19945 11867 1 12 . 1 1 153 153 THR CB C 153 69.023 69.023 68.667 0.356 19945 11868 1 12 . 1 1 153 153 THR H H 153 7.469 7.469 7.609 -0.140 19945 11869 1 12 . 1 1 154 154 ALA N N 154 123.665 123.665 122.131 1.534 19945 11870 1 12 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.031 -0.143 19945 11871 1 12 . 1 1 154 154 ALA C C 154 180.417 180.417 179.349 1.068 19945 11872 1 12 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.157 1.381 19945 11873 1 12 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.417 -1.195 19945 11874 1 12 . 1 1 154 154 ALA H H 154 9.077 9.077 8.588 0.489 19945 11875 1 12 . 1 1 155 155 GLU N N 155 119.661 119.661 119.036 0.625 19945 11876 1 12 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.005 0.247 19945 11877 1 12 . 1 1 155 155 GLU C C 155 178.518 178.518 179.222 -0.704 19945 11878 1 12 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.557 -0.739 19945 11879 1 12 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.214 0.493 19945 11880 1 12 . 1 1 155 155 GLU H H 155 8.647 8.647 8.319 0.328 19945 11881 1 12 . 1 1 156 156 ARG N N 156 120.739 120.739 119.709 1.030 19945 11882 1 12 . 1 1 156 156 ARG HA H 156 4.218 4.218 3.899 0.319 19945 11883 1 12 . 1 1 156 156 ARG C C 156 177.252 177.252 178.843 -1.591 19945 11884 1 12 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.280 1.189 19945 11885 1 12 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.039 0.984 19945 11886 1 12 . 1 1 156 156 ARG H H 156 8.129 8.129 8.241 -0.112 19945 11887 1 12 . 1 1 157 157 VAL N N 157 117.372 117.372 119.509 -2.137 19945 11888 1 12 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.614 -0.295 19945 11889 1 12 . 1 1 157 157 VAL C C 157 177.192 177.192 178.043 -0.851 19945 11890 1 12 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.311 1.089 19945 11891 1 12 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.961 0.871 19945 11892 1 12 . 1 1 157 157 VAL H H 157 8.578 8.578 8.405 0.173 19945 11893 1 12 . 1 1 158 158 GLU N N 158 118.631 118.631 120.546 -1.915 19945 11894 1 12 . 1 1 158 158 GLU HA H 158 4.197 4.197 3.980 0.217 19945 11895 1 12 . 1 1 158 158 GLU C C 158 179.995 179.995 179.192 0.803 19945 11896 1 12 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.355 -0.617 19945 11897 1 12 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.371 -0.194 19945 11898 1 12 . 1 1 158 158 GLU H H 158 8.046 8.046 8.461 -0.415 19945 11899 1 12 . 1 1 159 159 LYS N N 159 118.860 118.860 119.750 -0.890 19945 11900 1 12 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.171 0.015 19945 11901 1 12 . 1 1 159 159 LYS C C 159 179.844 179.844 178.973 0.871 19945 11902 1 12 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.989 0.006 19945 11903 1 12 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.639 1.053 19945 11904 1 12 . 1 1 159 159 LYS H H 159 8.522 8.522 8.154 0.368 19945 11905 1 12 . 1 1 160 160 TRP N N 160 125.100 125.100 122.336 2.764 19945 11906 1 12 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.589 -0.219 19945 11907 1 12 . 1 1 160 160 TRP C C 160 178.006 178.006 177.904 0.102 19945 11908 1 12 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.969 0.845 19945 11909 1 12 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.414 -0.622 19945 11910 1 12 . 1 1 160 160 TRP H H 160 9.076 9.076 8.400 0.676 19945 11911 1 12 . 1 1 161 161 VAL N N 161 118.402 118.402 119.931 -1.529 19945 11912 1 12 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.194 0.176 19945 11913 1 12 . 1 1 161 161 VAL C C 161 179.392 179.392 178.307 1.085 19945 11914 1 12 . 1 1 161 161 VAL CA C 161 67.004 67.004 67.279 -0.275 19945 11915 1 12 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.341 -0.991 19945 11916 1 12 . 1 1 161 161 VAL H H 161 9.024 9.024 8.944 0.080 19945 11917 1 12 . 1 1 162 162 LYS N N 162 123.209 123.209 119.842 3.367 19945 11918 1 12 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.873 0.129 19945 11919 1 12 . 1 1 162 162 LYS C C 162 178.759 178.759 179.156 -0.397 19945 11920 1 12 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.171 0.201 19945 11921 1 12 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.152 0.212 19945 11922 1 12 . 1 1 162 162 LYS H H 162 7.820 7.820 8.108 -0.288 19945 11923 1 12 . 1 1 163 163 GLN N N 163 121.722 121.722 118.005 3.717 19945 11924 1 12 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.056 0.134 19945 11925 1 12 . 1 1 163 163 GLN C C 163 179.935 179.935 178.694 1.241 19945 11926 1 12 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.632 1.094 19945 11927 1 12 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.873 0.149 19945 11928 1 12 . 1 1 163 163 GLN H H 163 8.126 8.126 7.777 0.349 19945 11929 1 12 . 1 1 164 164 ILE N N 164 114.390 114.390 116.503 -2.113 19945 11930 1 12 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.582 0.408 19945 11931 1 12 . 1 1 164 164 ILE C C 164 178.156 178.156 177.691 0.465 19945 11932 1 12 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.587 0.589 19945 11933 1 12 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.999 0.679 19945 11934 1 12 . 1 1 164 164 ILE H H 164 9.110 9.110 8.169 0.940 19945 11935 1 12 . 1 1 165 165 SER N N 165 119.660 119.660 116.774 2.886 19945 11936 1 12 . 1 1 165 165 SER HA H 165 3.976 3.976 3.989 -0.013 19945 11937 1 12 . 1 1 165 165 SER C C 165 176.438 176.438 176.691 -0.253 19945 11938 1 12 . 1 1 165 165 SER CA C 165 63.180 63.180 62.872 0.308 19945 11939 1 12 . 1 1 165 165 SER CB C 165 62.383 62.383 62.693 -0.310 19945 11940 1 12 . 1 1 165 165 SER H H 165 8.278 8.278 8.296 -0.018 19945 11941 1 12 . 1 1 166 166 GLU N N 166 122.290 122.290 121.269 1.021 19945 11942 1 12 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.133 0.076 19945 11943 1 12 . 1 1 166 166 GLU C C 166 179.965 179.965 179.343 0.622 19945 11944 1 12 . 1 1 166 166 GLU CA C 166 59.195 59.195 59.114 0.081 19945 11945 1 12 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.530 -0.287 19945 11946 1 12 . 1 1 166 166 GLU H H 166 7.345 7.345 7.590 -0.245 19945 11947 1 12 . 1 1 167 167 GLU N N 167 120.787 120.787 119.671 1.116 19945 11948 1 12 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.996 -0.057 19945 11949 1 12 . 1 1 167 167 GLU C C 167 178.518 178.518 178.235 0.283 19945 11950 1 12 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.596 1.404 19945 11951 1 12 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.589 1.211 19945 11952 1 12 . 1 1 167 167 GLU H H 167 8.413 8.413 7.650 0.763 19945 11953 1 12 . 1 1 168 168 LEU N N 168 115.420 115.420 116.326 -0.906 19945 11954 1 12 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.196 -0.059 19945 11955 1 12 . 1 1 168 168 LEU C C 168 175.896 175.896 175.907 -0.011 19945 11956 1 12 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.572 0.208 19945 11957 1 12 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.120 1.180 19945 11958 1 12 . 1 1 168 168 LEU H H 168 8.553 8.553 7.844 0.709 19945 11959 1 12 . 1 1 169 169 HIS N N 169 113.347 113.347 112.197 1.150 19945 11960 1 12 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.222 0.129 19945 11961 1 12 . 1 1 169 169 HIS C C 169 175.835 175.835 175.786 0.049 19945 11962 1 12 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.199 -0.926 19945 11963 1 12 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.697 -0.975 19945 11964 1 12 . 1 1 169 169 HIS H H 169 7.550 7.550 7.288 0.262 19945 11965 1 12 . 1 1 170 170 LEU N N 170 117.250 117.250 117.416 -0.166 19945 11966 1 12 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.155 -0.152 19945 11967 1 12 . 1 1 170 170 LEU C C 170 178.096 178.096 177.734 0.362 19945 11968 1 12 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.469 1.499 19945 11969 1 12 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.715 0.143 19945 11970 1 12 . 1 1 170 170 LEU H H 170 8.069 8.069 7.894 0.175 19945 11971 1 12 . 1 1 171 171 ASP N N 171 117.300 117.300 120.437 -3.137 19945 11972 1 12 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.212 0.123 19945 11973 1 12 . 1 1 171 171 ASP C C 171 177.915 177.915 177.788 0.127 19945 11974 1 12 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.188 -1.498 19945 11975 1 12 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.779 -0.719 19945 11976 1 12 . 1 1 171 171 ASP H H 171 8.732 8.732 8.441 0.291 19945 11977 1 12 . 1 1 172 172 GLU N N 172 119.203 119.203 117.466 1.737 19945 11978 1 12 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.152 0.075 19945 11979 1 12 . 1 1 172 172 GLU C C 172 178.277 178.277 177.906 0.371 19945 11980 1 12 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.617 -0.485 19945 11981 1 12 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.452 0.548 19945 11982 1 12 . 1 1 172 172 GLU H H 172 7.804 7.804 8.390 -0.586 19945 11983 1 12 . 1 1 173 173 ILE N N 173 119.519 119.519 117.296 2.223 19945 11984 1 12 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.103 -0.050 19945 11985 1 12 . 1 1 173 173 ILE C C 173 178.006 178.006 178.221 -0.215 19945 11986 1 12 . 1 1 173 173 ILE CA C 173 63.600 63.600 62.070 1.530 19945 11987 1 12 . 1 1 173 173 ILE CB C 173 39.000 39.000 38.325 0.675 19945 11988 1 12 . 1 1 173 173 ILE H H 173 7.787 7.787 7.654 0.133 19945 11989 1 12 . 1 1 174 174 LEU N N 174 121.260 121.260 118.347 2.913 19945 11990 1 12 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.323 -0.037 19945 11991 1 12 . 1 1 174 174 LEU C C 174 177.704 177.704 178.414 -0.710 19945 11992 1 12 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.374 -1.101 19945 11993 1 12 . 1 1 174 174 LEU CB C 174 42.459 42.459 41.859 0.600 19945 11994 1 12 . 1 1 174 174 LEU H H 174 8.241 8.241 8.186 0.055 19945 11995 1 12 . 1 1 175 175 ASN N N 175 118.280 118.280 117.874 0.406 19945 11996 1 12 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.529 0.300 19945 11997 1 12 . 1 1 175 175 ASN C C 175 173.846 173.846 175.719 -1.873 19945 11998 1 12 . 1 1 175 175 ASN CA C 175 53.222 53.222 53.763 -0.541 19945 11999 1 12 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.209 0.062 19945 12000 1 12 . 1 1 175 175 ASN H H 175 7.883 7.883 8.477 -0.594 19945 12001 1 13 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.752 -0.500 19945 12002 1 13 . 1 1 2 2 ALA C C 2 174.479 174.479 177.982 -3.503 19945 12003 1 13 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.751 1.717 19945 12004 1 13 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.021 -0.854 19945 12005 1 13 . 1 1 3 3 ILE N N 3 116.571 116.571 115.498 1.073 19945 12006 1 13 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.423 0.122 19945 12007 1 13 . 1 1 3 3 ILE C C 3 175.806 175.806 175.976 -0.170 19945 12008 1 13 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.117 1.078 19945 12009 1 13 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.775 0.635 19945 12010 1 13 . 1 1 3 3 ILE H H 3 8.456 8.456 8.119 0.337 19945 12011 1 13 . 1 1 4 4 THR N N 4 115.734 115.734 118.521 -2.787 19945 12012 1 13 . 1 1 4 4 THR HA H 4 5.124 5.124 5.225 -0.101 19945 12013 1 13 . 1 1 4 4 THR C C 4 172.410 172.410 173.791 -1.381 19945 12014 1 13 . 1 1 4 4 THR CA C 4 61.724 61.724 61.563 0.161 19945 12015 1 13 . 1 1 4 4 THR CB C 4 70.059 70.059 70.416 -0.357 19945 12016 1 13 . 1 1 4 4 THR H H 4 8.244 8.244 8.251 -0.007 19945 12017 1 13 . 1 1 5 5 GLY N N 5 116.016 116.016 112.478 3.538 19945 12018 1 13 . 1 1 5 5 GLY C C 5 171.077 171.077 172.180 -1.103 19945 12019 1 13 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.181 0.328 19945 12020 1 13 . 1 1 5 5 GLY H H 5 8.554 8.554 8.943 -0.389 19945 12021 1 13 . 1 1 6 6 ILE N N 6 126.504 126.504 126.608 -0.104 19945 12022 1 13 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.927 0.524 19945 12023 1 13 . 1 1 6 6 ILE C C 6 175.245 175.245 174.950 0.295 19945 12024 1 13 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.499 -0.581 19945 12025 1 13 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.035 0.173 19945 12026 1 13 . 1 1 6 6 ILE H H 6 8.719 8.719 8.996 -0.277 19945 12027 1 13 . 1 1 7 7 PHE N N 7 127.559 127.559 126.766 0.793 19945 12028 1 13 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.148 0.465 19945 12029 1 13 . 1 1 7 7 PHE C C 7 174.634 174.634 175.352 -0.718 19945 12030 1 13 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.745 -1.082 19945 12031 1 13 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.191 1.497 19945 12032 1 13 . 1 1 7 7 PHE H H 7 9.609 9.609 9.607 0.002 19945 12033 1 13 . 1 1 8 8 PHE N N 8 120.006 120.006 120.236 -0.230 19945 12034 1 13 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.382 0.842 19945 12035 1 13 . 1 1 8 8 PHE C C 8 171.212 171.212 174.282 -3.070 19945 12036 1 13 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.183 -0.504 19945 12037 1 13 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.138 1.383 19945 12038 1 13 . 1 1 8 8 PHE H H 8 8.545 8.545 8.839 -0.294 19945 12039 1 13 . 1 1 9 9 GLY N N 9 109.650 109.650 110.004 -0.354 19945 12040 1 13 . 1 1 9 9 GLY C C 9 172.512 172.512 172.755 -0.243 19945 12041 1 13 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.696 0.622 19945 12042 1 13 . 1 1 9 9 GLY H H 9 7.701 7.701 7.708 -0.007 19945 12043 1 13 . 1 1 10 10 SER N N 10 115.953 115.953 115.539 0.414 19945 12044 1 13 . 1 1 10 10 SER HA H 10 5.001 5.001 4.696 0.305 19945 12045 1 13 . 1 1 10 10 SER C C 10 173.439 173.439 173.042 0.397 19945 12046 1 13 . 1 1 10 10 SER CA C 10 58.308 58.308 57.904 0.404 19945 12047 1 13 . 1 1 10 10 SER CB C 10 66.423 66.423 66.549 -0.126 19945 12048 1 13 . 1 1 10 10 SER H H 10 8.634 8.634 7.958 0.676 19945 12049 1 13 . 1 1 11 11 ASP N N 11 104.000 104.000 120.552 -16.552 19945 12050 1 13 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.609 0.365 19945 12051 1 13 . 1 1 11 11 ASP C C 11 179.108 179.108 176.778 2.330 19945 12052 1 13 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.348 0.201 19945 12053 1 13 . 1 1 11 11 ASP CB C 11 40.100 40.100 40.911 -0.811 19945 12054 1 13 . 1 1 11 11 ASP H H 11 11.201 11.201 8.660 2.541 19945 12055 1 13 . 1 1 12 12 THR N N 12 112.000 112.000 112.308 -0.308 19945 12056 1 13 . 1 1 12 12 THR HA H 12 4.804 4.804 4.432 0.372 19945 12057 1 13 . 1 1 12 12 THR C C 12 175.080 175.080 175.120 -0.040 19945 12058 1 13 . 1 1 12 12 THR CA C 12 60.237 60.237 61.650 -1.413 19945 12059 1 13 . 1 1 12 12 THR CB C 12 68.567 68.567 69.487 -0.921 19945 12060 1 13 . 1 1 12 12 THR H H 12 9.311 9.311 8.047 1.264 19945 12061 1 13 . 1 1 13 13 GLY N N 13 112.221 112.221 109.977 2.244 19945 12062 1 13 . 1 1 13 13 GLY C C 13 176.690 176.690 175.752 0.938 19945 12063 1 13 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.794 0.506 19945 12064 1 13 . 1 1 13 13 GLY H H 13 8.000 8.000 8.066 -0.066 19945 12065 1 13 . 1 1 14 14 ASN N N 14 128.520 128.520 118.767 9.753 19945 12066 1 13 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.389 0.237 19945 12067 1 13 . 1 1 14 14 ASN C C 14 178.888 178.888 176.771 2.117 19945 12068 1 13 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.162 1.902 19945 12069 1 13 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.477 -1.643 19945 12070 1 13 . 1 1 14 14 ASN H H 14 11.112 11.112 8.633 2.479 19945 12071 1 13 . 1 1 15 15 THR N N 15 122.550 122.550 116.773 5.777 19945 12072 1 13 . 1 1 15 15 THR HA H 15 4.369 4.369 4.045 0.324 19945 12073 1 13 . 1 1 15 15 THR C C 15 176.786 176.786 175.333 1.453 19945 12074 1 13 . 1 1 15 15 THR CA C 15 67.325 67.325 65.524 1.801 19945 12075 1 13 . 1 1 15 15 THR CB C 15 67.961 67.961 68.493 -0.532 19945 12076 1 13 . 1 1 15 15 THR H H 15 11.327 11.327 7.689 3.638 19945 12077 1 13 . 1 1 16 16 GLU N N 16 120.578 120.578 121.950 -1.372 19945 12078 1 13 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.439 -0.152 19945 12079 1 13 . 1 1 16 16 GLU C C 16 176.642 176.642 177.758 -1.116 19945 12080 1 13 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.338 -0.269 19945 12081 1 13 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.112 -0.735 19945 12082 1 13 . 1 1 16 16 GLU H H 16 6.590 6.590 7.865 -1.275 19945 12083 1 13 . 1 1 17 17 ASN N N 17 118.000 118.000 118.052 -0.052 19945 12084 1 13 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.426 -0.116 19945 12085 1 13 . 1 1 17 17 ASN C C 17 178.255 178.255 177.684 0.571 19945 12086 1 13 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.779 0.522 19945 12087 1 13 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.933 -0.295 19945 12088 1 13 . 1 1 17 17 ASN H H 17 7.705 7.705 7.560 0.145 19945 12089 1 13 . 1 1 18 18 ILE N N 18 119.430 119.430 120.020 -0.590 19945 12090 1 13 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.614 0.038 19945 12091 1 13 . 1 1 18 18 ILE C C 18 177.564 177.564 177.634 -0.070 19945 12092 1 13 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.352 -0.852 19945 12093 1 13 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.474 -1.923 19945 12094 1 13 . 1 1 18 18 ILE H H 18 8.141 8.141 7.336 0.805 19945 12095 1 13 . 1 1 19 19 ALA N N 19 123.208 123.208 122.942 0.266 19945 12096 1 13 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.768 -0.099 19945 12097 1 13 . 1 1 19 19 ALA C C 19 178.888 178.888 179.363 -0.475 19945 12098 1 13 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.461 0.194 19945 12099 1 13 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.167 0.648 19945 12100 1 13 . 1 1 19 19 ALA H H 19 8.304 8.304 8.376 -0.072 19945 12101 1 13 . 1 1 20 20 LYS N N 20 116.460 116.460 119.003 -2.543 19945 12102 1 13 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.974 -0.158 19945 12103 1 13 . 1 1 20 20 LYS C C 20 179.666 179.666 179.147 0.519 19945 12104 1 13 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.457 0.365 19945 12105 1 13 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.349 -0.251 19945 12106 1 13 . 1 1 20 20 LYS H H 20 7.722 7.722 8.099 -0.377 19945 12107 1 13 . 1 1 21 21 MET N N 21 123.880 123.880 118.373 5.507 19945 12108 1 13 . 1 1 21 21 MET HA H 21 3.946 3.946 4.033 -0.087 19945 12109 1 13 . 1 1 21 21 MET C C 21 179.435 179.435 178.491 0.944 19945 12110 1 13 . 1 1 21 21 MET CA C 21 59.662 59.662 59.422 0.240 19945 12111 1 13 . 1 1 21 21 MET CB C 21 34.262 34.262 32.559 1.703 19945 12112 1 13 . 1 1 21 21 MET H H 21 8.336 8.336 8.110 0.226 19945 12113 1 13 . 1 1 22 22 ILE N N 22 122.065 122.065 120.328 1.737 19945 12114 1 13 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.530 -0.285 19945 12115 1 13 . 1 1 22 22 ILE C C 22 177.592 177.592 177.569 0.023 19945 12116 1 13 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.870 -0.145 19945 12117 1 13 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.385 0.292 19945 12118 1 13 . 1 1 22 22 ILE H H 22 8.500 8.500 8.142 0.358 19945 12119 1 13 . 1 1 23 23 GLN N N 23 119.264 119.264 120.090 -0.826 19945 12120 1 13 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.856 -0.412 19945 12121 1 13 . 1 1 23 23 GLN C C 23 177.017 177.017 178.305 -1.288 19945 12122 1 13 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.431 0.260 19945 12123 1 13 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.627 -0.778 19945 12124 1 13 . 1 1 23 23 GLN H H 23 7.985 7.985 8.313 -0.328 19945 12125 1 13 . 1 1 24 24 LYS N N 24 118.970 118.970 118.409 0.561 19945 12126 1 13 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.033 -0.113 19945 12127 1 13 . 1 1 24 24 LYS C C 24 178.427 178.427 179.422 -0.995 19945 12128 1 13 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.635 0.525 19945 12129 1 13 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.887 0.477 19945 12130 1 13 . 1 1 24 24 LYS H H 24 7.942 7.942 8.214 -0.272 19945 12131 1 13 . 1 1 25 25 GLN N N 25 118.400 118.400 118.088 0.312 19945 12132 1 13 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.113 -0.110 19945 12133 1 13 . 1 1 25 25 GLN C C 25 178.226 178.226 178.186 0.040 19945 12134 1 13 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.983 0.100 19945 12135 1 13 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.881 0.029 19945 12136 1 13 . 1 1 25 25 GLN H H 25 7.636 7.636 7.514 0.122 19945 12137 1 13 . 1 1 26 26 LEU N N 26 119.080 119.080 116.373 2.707 19945 12138 1 13 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.142 -0.123 19945 12139 1 13 . 1 1 26 26 LEU C C 26 177.247 177.247 177.270 -0.023 19945 12140 1 13 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.164 0.904 19945 12141 1 13 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.739 0.410 19945 12142 1 13 . 1 1 26 26 LEU H H 26 8.098 8.098 8.048 0.050 19945 12143 1 13 . 1 1 27 27 GLY N N 27 107.750 107.750 104.852 2.898 19945 12144 1 13 . 1 1 27 27 GLY C C 27 175.231 175.231 174.577 0.654 19945 12145 1 13 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.451 -0.391 19945 12146 1 13 . 1 1 27 27 GLY H H 27 8.050 8.050 7.819 0.231 19945 12147 1 13 . 1 1 28 28 LYS N N 28 125.187 125.187 122.585 2.602 19945 12148 1 13 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.222 0.001 19945 12149 1 13 . 1 1 28 28 LYS C C 28 176.372 176.372 177.012 -0.640 19945 12150 1 13 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.063 0.866 19945 12151 1 13 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.450 -0.352 19945 12152 1 13 . 1 1 28 28 LYS H H 28 8.786 8.786 8.546 0.240 19945 12153 1 13 . 1 1 29 29 ASP N N 29 115.960 115.960 116.893 -0.933 19945 12154 1 13 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.499 0.076 19945 12155 1 13 . 1 1 29 29 ASP C C 29 176.437 176.437 177.241 -0.804 19945 12156 1 13 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.365 -1.155 19945 12157 1 13 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.931 -1.129 19945 12158 1 13 . 1 1 29 29 ASP H H 29 8.919 8.919 8.330 0.589 19945 12159 1 13 . 1 1 30 30 VAL N N 30 120.609 120.609 118.072 2.537 19945 12160 1 13 . 1 1 30 30 VAL HA H 30 4.056 4.056 3.972 0.084 19945 12161 1 13 . 1 1 30 30 VAL C C 30 174.656 174.656 174.805 -0.149 19945 12162 1 13 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.473 0.247 19945 12163 1 13 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.709 0.129 19945 12164 1 13 . 1 1 30 30 VAL H H 30 7.573 7.573 7.472 0.101 19945 12165 1 13 . 1 1 31 31 ALA N N 31 123.100 123.100 119.364 3.736 19945 12166 1 13 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.291 0.240 19945 12167 1 13 . 1 1 31 31 ALA C C 31 175.174 175.174 174.652 0.522 19945 12168 1 13 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.305 -0.143 19945 12169 1 13 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.746 0.585 19945 12170 1 13 . 1 1 31 31 ALA H H 31 7.951 7.951 8.071 -0.120 19945 12171 1 13 . 1 1 32 32 ASP N N 32 121.576 121.576 120.256 1.320 19945 12172 1 13 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.980 -0.111 19945 12173 1 13 . 1 1 32 32 ASP C C 32 174.771 174.771 174.684 0.087 19945 12174 1 13 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.946 0.466 19945 12175 1 13 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.977 -1.190 19945 12176 1 13 . 1 1 32 32 ASP H H 32 8.175 8.175 8.583 -0.408 19945 12177 1 13 . 1 1 33 33 VAL N N 33 120.428 120.428 123.588 -3.160 19945 12178 1 13 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.630 0.027 19945 12179 1 13 . 1 1 33 33 VAL C C 33 174.252 174.252 174.977 -0.725 19945 12180 1 13 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.489 -1.187 19945 12181 1 13 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.842 1.034 19945 12182 1 13 . 1 1 33 33 VAL H H 33 8.397 8.397 8.295 0.102 19945 12183 1 13 . 1 1 34 34 HIS N N 34 125.285 125.285 125.619 -0.334 19945 12184 1 13 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.844 -0.291 19945 12185 1 13 . 1 1 34 34 HIS C C 34 171.920 171.920 172.427 -0.507 19945 12186 1 13 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.088 -1.517 19945 12187 1 13 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.082 -0.662 19945 12188 1 13 . 1 1 34 34 HIS H H 34 8.945 8.945 9.212 -0.267 19945 12189 1 13 . 1 1 35 35 ASP N N 35 124.120 124.120 120.651 3.469 19945 12190 1 13 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.884 -1.587 19945 12191 1 13 . 1 1 35 35 ASP C C 35 179.780 179.780 176.082 3.698 19945 12192 1 13 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.713 -0.957 19945 12193 1 13 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.650 -1.254 19945 12194 1 13 . 1 1 35 35 ASP H H 35 8.589 8.589 8.738 -0.149 19945 12195 1 13 . 1 1 36 36 ILE N N 36 106.681 106.681 126.109 -19.428 19945 12196 1 13 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.399 0.155 19945 12197 1 13 . 1 1 36 36 ILE C C 36 175.404 175.404 176.032 -0.628 19945 12198 1 13 . 1 1 36 36 ILE CA C 36 59.350 59.350 61.944 -2.594 19945 12199 1 13 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.119 2.152 19945 12200 1 13 . 1 1 36 36 ILE H H 36 9.705 9.705 8.769 0.936 19945 12201 1 13 . 1 1 37 37 ALA N N 37 123.095 123.095 119.822 3.273 19945 12202 1 13 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.059 0.030 19945 12203 1 13 . 1 1 37 37 ALA C C 37 178.140 178.140 178.151 -0.011 19945 12204 1 13 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.216 -0.600 19945 12205 1 13 . 1 1 37 37 ALA CB C 37 19.346 19.346 19.026 0.320 19945 12206 1 13 . 1 1 37 37 ALA H H 37 8.261 8.261 7.825 0.436 19945 12207 1 13 . 1 1 38 38 LYS N N 38 115.312 115.312 116.422 -1.110 19945 12208 1 13 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.410 0.201 19945 12209 1 13 . 1 1 38 38 LYS C C 38 176.498 176.498 177.208 -0.710 19945 12210 1 13 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.105 -1.958 19945 12211 1 13 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.677 -0.251 19945 12212 1 13 . 1 1 38 38 LYS H H 38 7.437 7.437 8.024 -0.587 19945 12213 1 13 . 1 1 39 39 SER N N 39 115.623 115.623 117.076 -1.453 19945 12214 1 13 . 1 1 39 39 SER HA H 39 5.019 5.019 4.344 0.675 19945 12215 1 13 . 1 1 39 39 SER C C 39 171.402 171.402 174.217 -2.815 19945 12216 1 13 . 1 1 39 39 SER CA C 39 58.929 58.929 59.456 -0.527 19945 12217 1 13 . 1 1 39 39 SER CB C 39 65.538 65.538 63.566 1.972 19945 12218 1 13 . 1 1 39 39 SER H H 39 7.051 7.051 7.591 -0.540 19945 12219 1 13 . 1 1 40 40 SER N N 40 118.860 118.860 115.173 3.687 19945 12220 1 13 . 1 1 40 40 SER HA H 40 5.025 5.025 4.982 0.043 19945 12221 1 13 . 1 1 40 40 SER C C 40 174.741 174.741 174.880 -0.139 19945 12222 1 13 . 1 1 40 40 SER CA C 40 56.003 56.003 56.726 -0.723 19945 12223 1 13 . 1 1 40 40 SER CB C 40 67.416 67.416 66.472 0.944 19945 12224 1 13 . 1 1 40 40 SER H H 40 9.377 9.377 7.949 1.428 19945 12225 1 13 . 1 1 41 41 LYS N N 41 122.504 122.504 122.409 0.095 19945 12226 1 13 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.060 -0.322 19945 12227 1 13 . 1 1 41 41 LYS C C 41 177.391 177.391 178.536 -1.145 19945 12228 1 13 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.684 1.289 19945 12229 1 13 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.361 0.946 19945 12230 1 13 . 1 1 41 41 LYS H H 41 9.098 9.098 8.960 0.138 19945 12231 1 13 . 1 1 42 42 GLU N N 42 115.836 115.836 115.514 0.322 19945 12232 1 13 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.374 -0.246 19945 12233 1 13 . 1 1 42 42 GLU C C 42 178.773 178.773 178.069 0.704 19945 12234 1 13 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.271 1.721 19945 12235 1 13 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.469 -0.825 19945 12236 1 13 . 1 1 42 42 GLU H H 42 8.839 8.839 8.495 0.344 19945 12237 1 13 . 1 1 43 43 ASP N N 43 119.589 119.589 120.336 -0.747 19945 12238 1 13 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.517 -0.031 19945 12239 1 13 . 1 1 43 43 ASP C C 43 177.564 177.564 178.733 -1.169 19945 12240 1 13 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.785 0.817 19945 12241 1 13 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.897 -0.091 19945 12242 1 13 . 1 1 43 43 ASP H H 43 7.794 7.794 7.465 0.329 19945 12243 1 13 . 1 1 44 44 LEU N N 44 118.745 118.745 120.207 -1.462 19945 12244 1 13 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.377 -0.406 19945 12245 1 13 . 1 1 44 44 LEU C C 44 178.600 178.600 179.192 -0.592 19945 12246 1 13 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.244 1.638 19945 12247 1 13 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.533 1.191 19945 12248 1 13 . 1 1 44 44 LEU H H 44 6.854 6.854 8.239 -1.385 19945 12249 1 13 . 1 1 45 45 GLU N N 45 114.280 114.280 117.248 -2.968 19945 12250 1 13 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.073 -0.446 19945 12251 1 13 . 1 1 45 45 GLU C C 45 176.988 176.988 177.849 -0.861 19945 12252 1 13 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.447 0.229 19945 12253 1 13 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.168 1.070 19945 12254 1 13 . 1 1 45 45 GLU H H 45 7.571 7.571 7.914 -0.343 19945 12255 1 13 . 1 1 46 46 ALA N N 46 118.860 118.860 121.183 -2.323 19945 12256 1 13 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.104 -0.066 19945 12257 1 13 . 1 1 46 46 ALA C C 46 176.901 176.901 177.913 -1.012 19945 12258 1 13 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.027 0.292 19945 12259 1 13 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.843 0.238 19945 12260 1 13 . 1 1 46 46 ALA H H 46 7.026 7.026 7.308 -0.282 19945 12261 1 13 . 1 1 47 47 TYR N N 47 115.674 115.674 116.666 -0.992 19945 12262 1 13 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.476 0.255 19945 12263 1 13 . 1 1 47 47 TYR C C 47 175.807 175.807 175.738 0.069 19945 12264 1 13 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.546 -1.939 19945 12265 1 13 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.667 1.995 19945 12266 1 13 . 1 1 47 47 TYR H H 47 7.277 7.277 7.383 -0.106 19945 12267 1 13 . 1 1 48 48 ASP N N 48 121.598 121.598 120.544 1.054 19945 12268 1 13 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.973 -0.065 19945 12269 1 13 . 1 1 48 48 ASP C C 48 175.030 175.030 175.398 -0.368 19945 12270 1 13 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.704 0.504 19945 12271 1 13 . 1 1 48 48 ASP CB C 48 41.646 41.646 43.154 -1.508 19945 12272 1 13 . 1 1 48 48 ASP H H 48 9.546 9.546 8.701 0.845 19945 12273 1 13 . 1 1 49 49 ILE N N 49 119.608 119.608 120.713 -1.105 19945 12274 1 13 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.063 0.231 19945 12275 1 13 . 1 1 49 49 ILE C C 49 175.059 175.059 174.503 0.556 19945 12276 1 13 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.447 0.083 19945 12277 1 13 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.192 -0.124 19945 12278 1 13 . 1 1 49 49 ILE H H 49 7.331 7.331 8.167 -0.836 19945 12279 1 13 . 1 1 50 50 LEU N N 50 127.901 127.901 127.452 0.449 19945 12280 1 13 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.203 0.457 19945 12281 1 13 . 1 1 50 50 LEU C C 50 174.598 174.598 175.174 -0.576 19945 12282 1 13 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.422 -0.603 19945 12283 1 13 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.193 4.844 19945 12284 1 13 . 1 1 50 50 LEU H H 50 9.095 9.095 9.176 -0.081 19945 12285 1 13 . 1 1 51 51 LEU N N 51 123.440 123.440 126.213 -2.773 19945 12286 1 13 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.441 0.591 19945 12287 1 13 . 1 1 51 51 LEU C C 51 175.894 175.894 175.451 0.443 19945 12288 1 13 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.168 -0.857 19945 12289 1 13 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.482 -0.164 19945 12290 1 13 . 1 1 51 51 LEU H H 51 9.275 9.275 9.529 -0.254 19945 12291 1 13 . 1 1 52 52 LEU N N 52 123.320 123.320 125.298 -1.978 19945 12292 1 13 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.303 0.353 19945 12293 1 13 . 1 1 52 52 LEU C C 52 173.763 173.763 175.831 -2.068 19945 12294 1 13 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.566 -0.688 19945 12295 1 13 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.728 -2.242 19945 12296 1 13 . 1 1 52 52 LEU H H 52 9.024 9.024 9.091 -0.067 19945 12297 1 13 . 1 1 53 53 GLY N N 53 110.739 110.739 111.745 -1.006 19945 12298 1 13 . 1 1 53 53 GLY C C 53 174.530 174.530 171.407 3.123 19945 12299 1 13 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.868 0.121 19945 12300 1 13 . 1 1 53 53 GLY H H 53 9.283 9.283 9.164 0.119 19945 12301 1 13 . 1 1 54 54 ILE N N 54 126.032 126.032 123.350 2.682 19945 12302 1 13 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.151 1.055 19945 12303 1 13 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.958 -0.951 19945 12304 1 13 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.993 0.997 19945 12305 1 13 . 1 1 54 54 ILE H H 54 9.136 9.136 8.520 0.616 19945 12306 1 13 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.758 0.559 19945 12307 1 13 . 1 1 55 55 PRO C C 55 174.771 174.771 176.506 -1.735 19945 12308 1 13 . 1 1 55 55 PRO CA C 55 61.748 61.748 62.065 -0.317 19945 12309 1 13 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.327 0.687 19945 12310 1 13 . 1 1 56 56 THR N N 56 113.710 113.710 119.016 -5.306 19945 12311 1 13 . 1 1 56 56 THR HA H 56 4.582 4.582 4.719 -0.137 19945 12312 1 13 . 1 1 56 56 THR C C 56 171.719 171.719 173.944 -2.225 19945 12313 1 13 . 1 1 56 56 THR CA C 56 62.383 62.383 63.054 -0.671 19945 12314 1 13 . 1 1 56 56 THR CB C 56 69.692 69.692 70.423 -0.731 19945 12315 1 13 . 1 1 56 56 THR H H 56 6.599 6.599 8.027 -1.428 19945 12316 1 13 . 1 1 57 57 TRP N N 57 130.050 130.050 125.254 4.796 19945 12317 1 13 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.494 -1.868 19945 12318 1 13 . 1 1 57 57 TRP C C 57 172.611 172.611 175.628 -3.017 19945 12319 1 13 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.873 -0.598 19945 12320 1 13 . 1 1 57 57 TRP CB C 57 34.754 34.754 31.742 3.012 19945 12321 1 13 . 1 1 57 57 TRP H H 57 8.865 8.865 8.898 -0.033 19945 12322 1 13 . 1 1 58 58 TYR N N 58 112.793 112.793 114.224 -1.431 19945 12323 1 13 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.856 0.360 19945 12324 1 13 . 1 1 58 58 TYR C C 58 173.619 173.619 174.041 -0.422 19945 12325 1 13 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.995 -1.795 19945 12326 1 13 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.079 -0.879 19945 12327 1 13 . 1 1 58 58 TYR H H 58 5.730 5.730 7.869 -2.139 19945 12328 1 13 . 1 1 59 59 TYR N N 59 112.220 112.220 119.535 -7.315 19945 12329 1 13 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.146 -0.751 19945 12330 1 13 . 1 1 59 59 TYR C C 59 175.865 175.865 175.101 0.764 19945 12331 1 13 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.323 2.137 19945 12332 1 13 . 1 1 59 59 TYR CB C 59 33.610 33.610 39.144 -5.534 19945 12333 1 13 . 1 1 59 59 TYR H H 59 7.661 7.661 7.763 -0.102 19945 12334 1 13 . 1 1 60 60 GLY N N 60 104.550 104.550 110.672 -6.122 19945 12335 1 13 . 1 1 60 60 GLY C C 60 174.483 174.483 174.026 0.457 19945 12336 1 13 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.591 0.587 19945 12337 1 13 . 1 1 60 60 GLY H H 60 8.142 8.142 8.442 -0.300 19945 12338 1 13 . 1 1 61 61 GLU N N 61 120.991 120.991 118.410 2.581 19945 12339 1 13 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.858 -0.420 19945 12340 1 13 . 1 1 61 61 GLU C C 61 175.548 175.548 175.227 0.321 19945 12341 1 13 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.179 1.297 19945 12342 1 13 . 1 1 61 61 GLU CB C 61 30.500 30.500 34.066 -3.566 19945 12343 1 13 . 1 1 61 61 GLU H H 61 8.307 8.307 8.014 0.293 19945 12344 1 13 . 1 1 62 62 ALA N N 62 122.750 122.750 124.414 -1.664 19945 12345 1 13 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.508 -0.302 19945 12346 1 13 . 1 1 62 62 ALA C C 62 176.671 176.671 177.481 -0.810 19945 12347 1 13 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.975 -0.165 19945 12348 1 13 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.078 1.128 19945 12349 1 13 . 1 1 62 62 ALA H H 62 8.722 8.722 8.613 0.109 19945 12350 1 13 . 1 1 63 63 GLN N N 63 120.579 120.579 117.871 2.708 19945 12351 1 13 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.298 -0.412 19945 12352 1 13 . 1 1 63 63 GLN C C 63 176.757 176.757 177.367 -0.610 19945 12353 1 13 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.679 1.930 19945 12354 1 13 . 1 1 63 63 GLN H H 63 6.302 6.302 8.621 -2.319 19945 12355 1 13 . 1 1 64 64 CYS N N 64 125.487 125.487 121.235 4.252 19945 12356 1 13 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.047 0.064 19945 12357 1 13 . 1 1 64 64 CYS C C 64 174.972 174.972 176.488 -1.516 19945 12358 1 13 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.352 -0.863 19945 12359 1 13 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.740 -0.158 19945 12360 1 13 . 1 1 64 64 CYS H H 64 9.091 9.091 8.739 0.352 19945 12361 1 13 . 1 1 65 65 ASP N N 65 120.298 120.298 119.145 1.153 19945 12362 1 13 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.427 -0.028 19945 12363 1 13 . 1 1 65 65 ASP C C 65 179.000 179.000 178.281 0.719 19945 12364 1 13 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.754 0.378 19945 12365 1 13 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.468 0.755 19945 12366 1 13 . 1 1 65 65 ASP H H 65 7.093 7.093 8.571 -1.478 19945 12367 1 13 . 1 1 66 66 TRP N N 66 122.608 122.608 120.803 1.805 19945 12368 1 13 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.071 0.145 19945 12369 1 13 . 1 1 66 66 TRP C C 66 176.930 176.930 177.604 -0.674 19945 12370 1 13 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.026 1.497 19945 12371 1 13 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.416 0.545 19945 12372 1 13 . 1 1 66 66 TRP H H 66 7.394 7.394 7.606 -0.212 19945 12373 1 13 . 1 1 67 67 ASP N N 67 118.860 118.860 118.340 0.520 19945 12374 1 13 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.756 -0.231 19945 12375 1 13 . 1 1 67 67 ASP C C 67 179.579 179.579 177.701 1.878 19945 12376 1 13 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.014 0.327 19945 12377 1 13 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.740 1.660 19945 12378 1 13 . 1 1 67 67 ASP H H 67 8.087 8.087 7.931 0.156 19945 12379 1 13 . 1 1 68 68 ASP N N 68 116.220 116.220 118.462 -2.242 19945 12380 1 13 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.439 -0.083 19945 12381 1 13 . 1 1 68 68 ASP C C 68 176.873 176.873 176.955 -0.082 19945 12382 1 13 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.991 0.264 19945 12383 1 13 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.136 -0.329 19945 12384 1 13 . 1 1 68 68 ASP H H 68 8.056 8.056 8.062 -0.006 19945 12385 1 13 . 1 1 69 69 PHE N N 69 120.493 120.493 117.897 2.596 19945 12386 1 13 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.352 0.011 19945 12387 1 13 . 1 1 69 69 PHE C C 69 177.103 177.103 176.184 0.919 19945 12388 1 13 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.286 -0.357 19945 12389 1 13 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.051 1.479 19945 12390 1 13 . 1 1 69 69 PHE H H 69 7.659 7.659 7.337 0.322 19945 12391 1 13 . 1 1 70 70 PHE N N 70 122.293 122.293 119.839 2.454 19945 12392 1 13 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.246 0.772 19945 12393 1 13 . 1 1 70 70 PHE C C 70 174.396 174.396 174.656 -0.260 19945 12394 1 13 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.428 -2.305 19945 12395 1 13 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.445 -0.690 19945 12396 1 13 . 1 1 70 70 PHE H H 70 8.197 8.197 8.170 0.027 19945 12397 1 13 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.355 0.043 19945 12398 1 13 . 1 1 71 71 PRO C C 71 179.118 179.118 177.409 1.709 19945 12399 1 13 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.932 1.435 19945 12400 1 13 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.100 -0.170 19945 12401 1 13 . 1 1 72 72 THR N N 72 114.461 114.461 114.005 0.456 19945 12402 1 13 . 1 1 72 72 THR HA H 72 3.816 3.816 4.025 -0.209 19945 12403 1 13 . 1 1 72 72 THR C C 72 176.498 176.498 176.619 -0.121 19945 12404 1 13 . 1 1 72 72 THR CA C 72 65.803 65.803 64.487 1.316 19945 12405 1 13 . 1 1 72 72 THR CB C 72 67.203 67.203 68.423 -1.220 19945 12406 1 13 . 1 1 72 72 THR H H 72 7.534 7.534 7.650 -0.116 19945 12407 1 13 . 1 1 73 73 LEU N N 73 124.812 124.812 123.437 1.375 19945 12408 1 13 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.108 -0.018 19945 12409 1 13 . 1 1 73 73 LEU C C 73 177.996 177.996 177.319 0.677 19945 12410 1 13 . 1 1 73 73 LEU CA C 73 58.151 58.151 57.797 0.354 19945 12411 1 13 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.162 1.624 19945 12412 1 13 . 1 1 73 73 LEU H H 73 8.123 8.123 8.092 0.031 19945 12413 1 13 . 1 1 74 74 GLU N N 74 111.877 111.877 114.596 -2.719 19945 12414 1 13 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.222 -0.397 19945 12415 1 13 . 1 1 74 74 GLU C C 74 176.930 176.930 177.170 -0.240 19945 12416 1 13 . 1 1 74 74 GLU CA C 74 57.675 57.675 57.813 -0.138 19945 12417 1 13 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.372 0.649 19945 12418 1 13 . 1 1 74 74 GLU H H 74 7.933 7.933 7.649 0.284 19945 12419 1 13 . 1 1 75 75 GLU N N 75 116.571 116.571 118.056 -1.485 19945 12420 1 13 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.305 0.042 19945 12421 1 13 . 1 1 75 75 GLU C C 75 177.045 177.045 176.840 0.205 19945 12422 1 13 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.483 -0.456 19945 12423 1 13 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.710 -0.201 19945 12424 1 13 . 1 1 75 75 GLU H H 75 7.659 7.659 7.908 -0.249 19945 12425 1 13 . 1 1 76 76 ILE N N 76 123.080 123.080 120.941 2.139 19945 12426 1 13 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.714 0.063 19945 12427 1 13 . 1 1 76 76 ILE C C 76 174.656 174.656 174.173 0.483 19945 12428 1 13 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.272 -0.198 19945 12429 1 13 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.574 0.431 19945 12430 1 13 . 1 1 76 76 ILE H H 76 7.468 7.468 7.492 -0.024 19945 12431 1 13 . 1 1 77 77 ASP N N 77 126.540 126.540 122.374 4.166 19945 12432 1 13 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.607 0.206 19945 12433 1 13 . 1 1 77 77 ASP C C 77 176.614 176.614 174.756 1.858 19945 12434 1 13 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.258 -0.117 19945 12435 1 13 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.898 -2.033 19945 12436 1 13 . 1 1 77 77 ASP H H 77 8.605 8.605 8.205 0.400 19945 12437 1 13 . 1 1 78 78 PHE N N 78 124.583 124.583 121.621 2.962 19945 12438 1 13 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.700 -0.540 19945 12439 1 13 . 1 1 78 78 PHE C C 78 175.347 175.347 175.287 0.060 19945 12440 1 13 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.542 2.600 19945 12441 1 13 . 1 1 78 78 PHE CB C 78 40.168 40.168 40.087 0.082 19945 12442 1 13 . 1 1 78 78 PHE H H 78 8.053 8.053 8.157 -0.104 19945 12443 1 13 . 1 1 79 79 ASN N N 79 121.321 121.321 120.684 0.637 19945 12444 1 13 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.508 0.009 19945 12445 1 13 . 1 1 79 79 ASN C C 79 176.815 176.815 176.634 0.181 19945 12446 1 13 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.314 1.138 19945 12447 1 13 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.188 0.551 19945 12448 1 13 . 1 1 79 79 ASN H H 79 8.695 8.695 8.523 0.172 19945 12449 1 13 . 1 1 80 80 GLY N N 80 114.150 114.150 112.534 1.616 19945 12450 1 13 . 1 1 80 80 GLY C C 80 174.195 174.195 174.642 -0.447 19945 12451 1 13 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.392 0.255 19945 12452 1 13 . 1 1 80 80 GLY H H 80 8.646 8.646 8.403 0.243 19945 12453 1 13 . 1 1 81 81 LYS N N 81 119.318 119.318 121.505 -2.187 19945 12454 1 13 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.492 0.545 19945 12455 1 13 . 1 1 81 81 LYS C C 81 176.268 176.268 175.561 0.707 19945 12456 1 13 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.588 -0.592 19945 12457 1 13 . 1 1 81 81 LYS CB C 81 33.955 33.955 34.062 -0.107 19945 12458 1 13 . 1 1 81 81 LYS H H 81 8.295 8.295 7.978 0.317 19945 12459 1 13 . 1 1 82 82 LEU N N 82 127.000 127.000 123.450 3.550 19945 12460 1 13 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.919 0.311 19945 12461 1 13 . 1 1 82 82 LEU C C 82 175.347 175.347 175.792 -0.445 19945 12462 1 13 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.467 -0.662 19945 12463 1 13 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.329 0.822 19945 12464 1 13 . 1 1 82 82 LEU H H 82 8.407 8.407 8.793 -0.386 19945 12465 1 13 . 1 1 83 83 VAL N N 83 121.665 121.665 122.298 -0.633 19945 12466 1 13 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.279 0.561 19945 12467 1 13 . 1 1 83 83 VAL C C 83 173.417 173.417 174.151 -0.734 19945 12468 1 13 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.274 -1.072 19945 12469 1 13 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.001 1.347 19945 12470 1 13 . 1 1 83 83 VAL H H 83 8.960 8.960 9.130 -0.170 19945 12471 1 13 . 1 1 84 84 ALA N N 84 128.017 128.017 129.075 -1.058 19945 12472 1 13 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.594 -0.261 19945 12473 1 13 . 1 1 84 84 ALA C C 84 175.231 175.231 175.698 -0.467 19945 12474 1 13 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.813 0.615 19945 12475 1 13 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.242 0.886 19945 12476 1 13 . 1 1 84 84 ALA H H 84 9.021 9.021 9.152 -0.131 19945 12477 1 13 . 1 1 85 85 LEU N N 85 124.220 124.220 121.624 2.596 19945 12478 1 13 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.566 0.046 19945 12479 1 13 . 1 1 85 85 LEU C C 85 174.454 174.454 175.968 -1.514 19945 12480 1 13 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.132 -0.159 19945 12481 1 13 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.779 1.133 19945 12482 1 13 . 1 1 85 85 LEU H H 85 11.134 11.134 8.790 2.344 19945 12483 1 13 . 1 1 86 86 PHE N N 86 114.461 114.461 117.016 -2.555 19945 12484 1 13 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.346 -0.124 19945 12485 1 13 . 1 1 86 86 PHE C C 86 173.619 173.619 173.993 -0.374 19945 12486 1 13 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.080 -0.402 19945 12487 1 13 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.998 0.982 19945 12488 1 13 . 1 1 86 86 PHE H H 86 8.829 8.829 8.711 0.118 19945 12489 1 13 . 1 1 87 87 GLY N N 87 104.437 104.437 106.114 -1.677 19945 12490 1 13 . 1 1 87 87 GLY C C 87 170.423 170.423 171.635 -1.212 19945 12491 1 13 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.237 0.693 19945 12492 1 13 . 1 1 87 87 GLY H H 87 8.496 8.496 8.743 -0.247 19945 12493 1 13 . 1 1 88 88 CYS N N 88 114.166 114.166 117.525 -3.359 19945 12494 1 13 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.707 1.296 19945 12495 1 13 . 1 1 88 88 CYS C C 88 174.425 174.425 173.472 0.953 19945 12496 1 13 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.698 -1.160 19945 12497 1 13 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.152 0.148 19945 12498 1 13 . 1 1 88 88 CYS H H 88 5.354 5.354 7.814 -2.460 19945 12499 1 13 . 1 1 89 89 GLY N N 89 109.463 109.463 109.962 -0.499 19945 12500 1 13 . 1 1 89 89 GLY C C 89 173.187 173.187 171.613 1.574 19945 12501 1 13 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.935 1.508 19945 12502 1 13 . 1 1 89 89 GLY H H 89 8.404 8.404 8.153 0.251 19945 12503 1 13 . 1 1 90 90 ASP N N 90 123.090 123.090 118.446 4.644 19945 12504 1 13 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.200 0.599 19945 12505 1 13 . 1 1 90 90 ASP C C 90 176.095 176.095 175.574 0.521 19945 12506 1 13 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.045 -0.492 19945 12507 1 13 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.961 -0.706 19945 12508 1 13 . 1 1 90 90 ASP H H 90 8.698 8.698 8.566 0.132 19945 12509 1 13 . 1 1 91 91 GLN N N 91 123.780 123.780 122.140 1.640 19945 12510 1 13 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.219 -0.523 19945 12511 1 13 . 1 1 91 91 GLN C C 91 173.639 173.639 175.709 -2.070 19945 12512 1 13 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.330 1.730 19945 12513 1 13 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.232 0.209 19945 12514 1 13 . 1 1 91 91 GLN H H 91 9.675 9.675 8.482 1.193 19945 12515 1 13 . 1 1 92 92 GLU N N 92 118.631 118.631 119.849 -1.218 19945 12516 1 13 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.164 0.427 19945 12517 1 13 . 1 1 92 92 GLU C C 92 177.247 177.247 176.783 0.464 19945 12518 1 13 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.810 -1.474 19945 12519 1 13 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.296 0.474 19945 12520 1 13 . 1 1 92 92 GLU H H 92 8.396 8.396 8.423 -0.027 19945 12521 1 13 . 1 1 93 93 ASP N N 93 120.889 120.889 117.246 3.643 19945 12522 1 13 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.621 -0.339 19945 12523 1 13 . 1 1 93 93 ASP C C 93 175.986 175.986 177.391 -1.405 19945 12524 1 13 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.833 0.592 19945 12525 1 13 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.433 -2.183 19945 12526 1 13 . 1 1 93 93 ASP H H 93 7.779 7.779 8.430 -0.651 19945 12527 1 13 . 1 1 94 94 TYR N N 94 117.028 117.028 120.006 -2.978 19945 12528 1 13 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.773 -0.088 19945 12529 1 13 . 1 1 94 94 TYR C C 94 175.519 175.519 177.320 -1.801 19945 12530 1 13 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.858 -1.480 19945 12531 1 13 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.500 -0.658 19945 12532 1 13 . 1 1 94 94 TYR H H 94 6.693 6.693 8.817 -2.124 19945 12533 1 13 . 1 1 95 95 ALA N N 95 121.950 121.950 124.330 -2.380 19945 12534 1 13 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.239 -0.083 19945 12535 1 13 . 1 1 95 95 ALA C C 95 179.723 179.723 179.492 0.231 19945 12536 1 13 . 1 1 95 95 ALA CA C 95 55.923 55.923 55.011 0.912 19945 12537 1 13 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.436 2.119 19945 12538 1 13 . 1 1 95 95 ALA H H 95 6.962 6.962 8.436 -1.474 19945 12539 1 13 . 1 1 96 96 GLU N N 96 115.884 115.884 116.974 -1.090 19945 12540 1 13 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.062 0.244 19945 12541 1 13 . 1 1 96 96 GLU C C 96 174.684 174.684 176.997 -2.313 19945 12542 1 13 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.973 -0.988 19945 12543 1 13 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.414 -0.238 19945 12544 1 13 . 1 1 96 96 GLU H H 96 9.327 9.327 8.798 0.529 19945 12545 1 13 . 1 1 97 97 TYR N N 97 121.836 121.836 114.325 7.511 19945 12546 1 13 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.758 0.651 19945 12547 1 13 . 1 1 97 97 TYR C C 97 179.953 179.953 175.059 4.894 19945 12548 1 13 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.502 -0.060 19945 12549 1 13 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.517 2.775 19945 12550 1 13 . 1 1 97 97 TYR H H 97 8.175 8.175 7.777 0.398 19945 12551 1 13 . 1 1 98 98 PHE N N 98 124.580 124.580 124.520 0.060 19945 12552 1 13 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.528 0.609 19945 12553 1 13 . 1 1 98 98 PHE C C 98 174.742 174.742 175.985 -1.243 19945 12554 1 13 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.413 -0.750 19945 12555 1 13 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.208 -0.553 19945 12556 1 13 . 1 1 98 98 PHE H H 98 7.889 7.889 8.037 -0.148 19945 12557 1 13 . 1 1 99 99 CYS N N 99 120.329 120.329 123.907 -3.578 19945 12558 1 13 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.724 -0.072 19945 12559 1 13 . 1 1 99 99 CYS C C 99 175.087 175.087 175.689 -0.602 19945 12560 1 13 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.253 2.623 19945 12561 1 13 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.265 -1.265 19945 12562 1 13 . 1 1 99 99 CYS H H 99 8.617 8.617 8.656 -0.039 19945 12563 1 13 . 1 1 100 100 ASP N N 100 116.705 116.705 121.650 -4.945 19945 12564 1 13 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.326 -0.381 19945 12565 1 13 . 1 1 100 100 ASP C C 100 178.888 178.888 177.068 1.820 19945 12566 1 13 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.498 0.630 19945 12567 1 13 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.179 0.771 19945 12568 1 13 . 1 1 100 100 ASP H H 100 7.104 7.104 8.217 -1.113 19945 12569 1 13 . 1 1 101 101 ALA N N 101 118.631 118.631 121.759 -3.128 19945 12570 1 13 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.254 -0.103 19945 12571 1 13 . 1 1 101 101 ALA C C 101 178.600 178.600 179.410 -0.810 19945 12572 1 13 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.107 0.290 19945 12573 1 13 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.614 0.195 19945 12574 1 13 . 1 1 101 101 ALA H H 101 8.716 8.716 7.680 1.036 19945 12575 1 13 . 1 1 102 102 LEU N N 102 115.083 115.083 119.211 -4.128 19945 12576 1 13 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.905 -0.291 19945 12577 1 13 . 1 1 102 102 LEU C C 102 179.573 179.573 179.097 0.476 19945 12578 1 13 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.575 0.269 19945 12579 1 13 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.488 1.226 19945 12580 1 13 . 1 1 102 102 LEU H H 102 7.171 7.171 7.846 -0.675 19945 12581 1 13 . 1 1 103 103 GLY N N 103 104.501 104.501 105.189 -0.688 19945 12582 1 13 . 1 1 103 103 GLY C C 103 175.145 175.145 175.420 -0.275 19945 12583 1 13 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.307 -0.599 19945 12584 1 13 . 1 1 103 103 GLY H H 103 7.365 7.365 8.253 -0.888 19945 12585 1 13 . 1 1 104 104 THR N N 104 118.860 118.860 119.257 -0.397 19945 12586 1 13 . 1 1 104 104 THR HA H 104 3.737 3.737 3.833 -0.096 19945 12587 1 13 . 1 1 104 104 THR C C 104 176.354 176.354 176.531 -0.177 19945 12588 1 13 . 1 1 104 104 THR CA C 104 65.799 65.799 66.581 -0.782 19945 12589 1 13 . 1 1 104 104 THR CB C 104 67.961 67.961 68.661 -0.700 19945 12590 1 13 . 1 1 104 104 THR H H 104 7.343 7.343 7.331 0.012 19945 12591 1 13 . 1 1 105 105 ILE N N 105 118.663 118.663 121.283 -2.620 19945 12592 1 13 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.473 0.031 19945 12593 1 13 . 1 1 105 105 ILE C C 105 177.391 177.391 177.186 0.205 19945 12594 1 13 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.778 0.772 19945 12595 1 13 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.411 0.339 19945 12596 1 13 . 1 1 105 105 ILE H H 105 7.589 7.589 7.460 0.129 19945 12597 1 13 . 1 1 106 106 ARG N N 106 126.041 126.041 120.647 5.394 19945 12598 1 13 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.814 -0.234 19945 12599 1 13 . 1 1 106 106 ARG C C 106 176.614 176.614 178.054 -1.440 19945 12600 1 13 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.224 0.043 19945 12601 1 13 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.052 -2.736 19945 12602 1 13 . 1 1 106 106 ARG H H 106 7.307 7.307 8.133 -0.826 19945 12603 1 13 . 1 1 107 107 ASP N N 107 117.480 117.480 116.789 0.691 19945 12604 1 13 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.500 -0.151 19945 12605 1 13 . 1 1 107 107 ASP C C 107 177.189 177.189 177.878 -0.689 19945 12606 1 13 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.694 -0.194 19945 12607 1 13 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.730 -1.056 19945 12608 1 13 . 1 1 107 107 ASP H H 107 8.202 8.202 8.196 0.006 19945 12609 1 13 . 1 1 108 108 ILE N N 108 117.715 117.715 118.578 -0.863 19945 12610 1 13 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.887 -0.031 19945 12611 1 13 . 1 1 108 108 ILE C C 108 178.427 178.427 177.758 0.669 19945 12612 1 13 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.715 0.262 19945 12613 1 13 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.754 0.697 19945 12614 1 13 . 1 1 108 108 ILE H H 108 7.107 7.107 7.300 -0.193 19945 12615 1 13 . 1 1 109 109 ILE N N 109 111.534 111.534 117.616 -6.082 19945 12616 1 13 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.817 -0.082 19945 12617 1 13 . 1 1 109 109 ILE C C 109 177.305 177.305 177.232 0.073 19945 12618 1 13 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.240 0.365 19945 12619 1 13 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.669 -0.258 19945 12620 1 13 . 1 1 109 109 ILE H H 109 7.501 7.501 8.194 -0.693 19945 12621 1 13 . 1 1 110 110 GLU N N 110 127.123 127.123 123.037 4.086 19945 12622 1 13 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.258 0.040 19945 12623 1 13 . 1 1 110 110 GLU C C 110 177.391 177.391 176.840 0.551 19945 12624 1 13 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.604 1.727 19945 12625 1 13 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.135 -0.287 19945 12626 1 13 . 1 1 110 110 GLU H H 110 8.867 8.867 8.296 0.571 19945 12627 1 13 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.259 0.357 19945 12628 1 13 . 1 1 111 111 PRO C C 111 177.417 177.417 177.863 -0.446 19945 12629 1 13 . 1 1 111 111 PRO CA C 111 65.235 65.235 65.085 0.150 19945 12630 1 13 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.305 -0.270 19945 12631 1 13 . 1 1 112 112 ARG N N 112 114.612 114.612 114.765 -0.153 19945 12632 1 13 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.541 0.027 19945 12633 1 13 . 1 1 112 112 ARG C C 112 175.792 175.792 176.682 -0.890 19945 12634 1 13 . 1 1 112 112 ARG CA C 112 55.741 55.741 54.616 1.125 19945 12635 1 13 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.710 0.794 19945 12636 1 13 . 1 1 112 112 ARG H H 112 6.542 6.542 7.634 -1.092 19945 12637 1 13 . 1 1 113 113 GLY N N 113 106.474 106.474 106.773 -0.299 19945 12638 1 13 . 1 1 113 113 GLY C C 113 174.347 174.347 173.961 0.386 19945 12639 1 13 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.344 0.296 19945 12640 1 13 . 1 1 113 113 GLY H H 113 7.845 7.845 8.214 -0.369 19945 12641 1 13 . 1 1 114 114 ALA N N 114 122.280 122.280 123.775 -1.495 19945 12642 1 13 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.830 -0.551 19945 12643 1 13 . 1 1 114 114 ALA C C 114 176.785 176.785 177.561 -0.776 19945 12644 1 13 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.526 0.865 19945 12645 1 13 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.493 0.119 19945 12646 1 13 . 1 1 114 114 ALA H H 114 7.535 7.535 7.706 -0.171 19945 12647 1 13 . 1 1 115 115 THR N N 115 120.909 120.909 119.671 1.238 19945 12648 1 13 . 1 1 115 115 THR HA H 115 4.478 4.478 4.547 -0.069 19945 12649 1 13 . 1 1 115 115 THR C C 115 172.963 172.963 173.493 -0.530 19945 12650 1 13 . 1 1 115 115 THR CA C 115 62.825 62.825 62.588 0.237 19945 12651 1 13 . 1 1 115 115 THR CB C 115 69.501 69.501 69.228 0.272 19945 12652 1 13 . 1 1 115 115 THR H H 115 7.902 7.902 8.754 -0.852 19945 12653 1 13 . 1 1 116 116 ILE N N 116 129.162 129.162 128.689 0.473 19945 12654 1 13 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.130 0.167 19945 12655 1 13 . 1 1 116 116 ILE C C 116 177.056 177.056 175.704 1.352 19945 12656 1 13 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.420 0.103 19945 12657 1 13 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.062 -0.762 19945 12658 1 13 . 1 1 116 116 ILE H H 116 8.784 8.784 8.859 -0.075 19945 12659 1 13 . 1 1 117 117 VAL N N 117 122.981 122.981 121.184 1.797 19945 12660 1 13 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.667 -0.073 19945 12661 1 13 . 1 1 117 117 VAL C C 117 175.190 175.190 175.960 -0.770 19945 12662 1 13 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.429 -0.500 19945 12663 1 13 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.741 -2.377 19945 12664 1 13 . 1 1 117 117 VAL H H 117 8.812 8.812 8.778 0.034 19945 12665 1 13 . 1 1 118 118 GLY N N 118 108.558 108.558 106.785 1.773 19945 12666 1 13 . 1 1 118 118 GLY C C 118 175.792 175.792 174.630 1.162 19945 12667 1 13 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.587 2.159 19945 12668 1 13 . 1 1 118 118 GLY H H 118 9.297 9.297 8.912 0.385 19945 12669 1 13 . 1 1 119 119 HIS N N 119 118.402 118.402 119.099 -0.697 19945 12670 1 13 . 1 1 119 119 HIS HA H 119 4.772 4.772 5.008 -0.236 19945 12671 1 13 . 1 1 119 119 HIS C C 119 175.866 175.866 175.107 0.759 19945 12672 1 13 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.089 -1.487 19945 12673 1 13 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.107 -1.251 19945 12674 1 13 . 1 1 119 119 HIS H H 119 8.901 8.901 8.068 0.833 19945 12675 1 13 . 1 1 120 120 TRP N N 120 124.300 124.300 126.550 -2.250 19945 12676 1 13 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.421 0.872 19945 12677 1 13 . 1 1 120 120 TRP C C 120 173.113 173.113 173.870 -0.757 19945 12678 1 13 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.991 -0.487 19945 12679 1 13 . 1 1 120 120 TRP CB C 120 35.286 35.286 33.063 2.223 19945 12680 1 13 . 1 1 120 120 TRP H H 120 8.455 8.455 9.413 -0.958 19945 12681 1 13 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.030 0.567 19945 12682 1 13 . 1 1 121 121 PRO C C 121 176.243 176.243 176.767 -0.524 19945 12683 1 13 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.421 1.029 19945 12684 1 13 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.170 -0.073 19945 12685 1 13 . 1 1 122 122 THR N N 122 110.568 110.568 113.301 -2.733 19945 12686 1 13 . 1 1 122 122 THR HA H 122 4.232 4.232 4.260 -0.028 19945 12687 1 13 . 1 1 122 122 THR C C 122 176.424 176.424 175.561 0.863 19945 12688 1 13 . 1 1 122 122 THR CA C 122 62.079 62.079 63.137 -1.058 19945 12689 1 13 . 1 1 122 122 THR CB C 122 68.758 68.758 69.016 -0.258 19945 12690 1 13 . 1 1 122 122 THR H H 122 7.560 7.560 8.127 -0.567 19945 12691 1 13 . 1 1 123 123 ALA N N 123 126.038 126.038 123.704 2.334 19945 12692 1 13 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.927 0.342 19945 12693 1 13 . 1 1 123 123 ALA C C 123 178.862 178.862 177.956 0.906 19945 12694 1 13 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.520 1.362 19945 12695 1 13 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.204 1.080 19945 12696 1 13 . 1 1 123 123 ALA H H 123 7.144 7.144 8.144 -1.000 19945 12697 1 13 . 1 1 124 124 GLY N N 124 111.468 111.468 105.762 5.706 19945 12698 1 13 . 1 1 124 124 GLY C C 124 173.775 173.775 173.860 -0.085 19945 12699 1 13 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.916 0.465 19945 12700 1 13 . 1 1 124 124 GLY H H 124 9.058 9.058 8.416 0.642 19945 12701 1 13 . 1 1 125 125 TYR N N 125 119.088 119.088 119.159 -0.071 19945 12702 1 13 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.329 0.613 19945 12703 1 13 . 1 1 125 125 TYR C C 125 175.581 175.581 174.934 0.647 19945 12704 1 13 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.543 -2.781 19945 12705 1 13 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.127 1.423 19945 12706 1 13 . 1 1 125 125 TYR H H 125 8.008 8.008 8.162 -0.154 19945 12707 1 13 . 1 1 126 126 HIS N N 126 121.799 121.799 123.841 -2.042 19945 12708 1 13 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.624 0.389 19945 12709 1 13 . 1 1 126 126 HIS C C 126 171.969 171.969 173.203 -1.234 19945 12710 1 13 . 1 1 126 126 HIS CA C 126 54.147 54.147 55.203 -1.056 19945 12711 1 13 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.833 -2.446 19945 12712 1 13 . 1 1 126 126 HIS H H 126 9.512 9.512 7.824 1.688 19945 12713 1 13 . 1 1 127 127 PHE N N 127 117.258 117.258 117.567 -0.309 19945 12714 1 13 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.283 0.640 19945 12715 1 13 . 1 1 127 127 PHE C C 127 172.722 172.722 176.974 -4.252 19945 12716 1 13 . 1 1 127 127 PHE CA C 127 55.300 55.300 57.332 -2.032 19945 12717 1 13 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.792 -0.038 19945 12718 1 13 . 1 1 127 127 PHE H H 127 7.397 7.397 7.025 0.372 19945 12719 1 13 . 1 1 128 128 GLU N N 128 120.484 120.484 119.849 0.635 19945 12720 1 13 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.025 0.338 19945 12721 1 13 . 1 1 128 128 GLU C C 128 176.033 176.033 176.225 -0.192 19945 12722 1 13 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.874 -1.806 19945 12723 1 13 . 1 1 128 128 GLU CB C 128 31.832 31.832 29.923 1.909 19945 12724 1 13 . 1 1 128 128 GLU H H 128 8.492 8.492 8.969 -0.477 19945 12725 1 13 . 1 1 129 129 ALA N N 129 123.500 123.500 119.282 4.218 19945 12726 1 13 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.716 -0.018 19945 12727 1 13 . 1 1 129 129 ALA C C 129 174.016 174.016 175.527 -1.511 19945 12728 1 13 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.686 0.768 19945 12729 1 13 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.501 0.502 19945 12730 1 13 . 1 1 129 129 ALA H H 129 9.155 9.155 7.560 1.595 19945 12731 1 13 . 1 1 130 130 SER N N 130 110.807 110.807 114.169 -3.362 19945 12732 1 13 . 1 1 130 130 SER HA H 130 4.942 4.942 4.909 0.033 19945 12733 1 13 . 1 1 130 130 SER C C 130 176.665 176.665 173.325 3.340 19945 12734 1 13 . 1 1 130 130 SER CA C 130 57.471 57.471 57.579 -0.108 19945 12735 1 13 . 1 1 130 130 SER CB C 130 67.205 67.205 65.486 1.719 19945 12736 1 13 . 1 1 130 130 SER H H 130 8.101 8.101 8.425 -0.324 19945 12737 1 13 . 1 1 131 131 LYS N N 131 129.963 129.963 122.646 7.317 19945 12738 1 13 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.769 -0.320 19945 12739 1 13 . 1 1 131 131 LYS C C 131 176.533 176.533 177.219 -0.686 19945 12740 1 13 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.799 1.101 19945 12741 1 13 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.748 -1.119 19945 12742 1 13 . 1 1 131 131 LYS H H 131 9.690 9.690 8.340 1.350 19945 12743 1 13 . 1 1 132 132 GLY N N 132 107.870 107.870 109.080 -1.210 19945 12744 1 13 . 1 1 132 132 GLY C C 132 173.354 173.354 173.488 -0.134 19945 12745 1 13 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.288 0.358 19945 12746 1 13 . 1 1 132 132 GLY H H 132 9.187 9.187 7.784 1.403 19945 12747 1 13 . 1 1 133 133 LEU N N 133 119.088 119.088 118.880 0.208 19945 12748 1 13 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.131 0.512 19945 12749 1 13 . 1 1 133 133 LEU C C 133 177.748 177.748 176.357 1.391 19945 12750 1 13 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.360 0.116 19945 12751 1 13 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.778 -1.274 19945 12752 1 13 . 1 1 133 133 LEU H H 133 7.098 7.098 7.669 -0.571 19945 12753 1 13 . 1 1 134 134 ALA N N 134 125.720 125.720 127.709 -1.989 19945 12754 1 13 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.486 -0.249 19945 12755 1 13 . 1 1 134 134 ALA C C 134 176.695 176.695 177.038 -0.343 19945 12756 1 13 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.568 -0.280 19945 12757 1 13 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.831 -1.220 19945 12758 1 13 . 1 1 134 134 ALA H H 134 9.154 9.154 8.885 0.269 19945 12759 1 13 . 1 1 135 135 ASP N N 135 114.952 114.952 116.513 -1.561 19945 12760 1 13 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.783 -0.254 19945 12761 1 13 . 1 1 135 135 ASP C C 135 175.130 175.130 175.254 -0.124 19945 12762 1 13 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.313 -0.353 19945 12763 1 13 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.573 -3.045 19945 12764 1 13 . 1 1 135 135 ASP H H 135 8.299 8.299 7.907 0.392 19945 12765 1 13 . 1 1 136 136 ASP N N 136 114.870 114.870 121.402 -6.532 19945 12766 1 13 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.267 0.068 19945 12767 1 13 . 1 1 136 136 ASP C C 136 176.303 176.303 176.819 -0.516 19945 12768 1 13 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.948 0.896 19945 12769 1 13 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.916 -0.052 19945 12770 1 13 . 1 1 136 136 ASP H H 136 8.433 8.433 8.753 -0.320 19945 12771 1 13 . 1 1 137 137 ASP N N 137 113.709 113.709 118.141 -4.432 19945 12772 1 13 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.651 0.180 19945 12773 1 13 . 1 1 137 137 ASP C C 137 176.514 176.514 175.268 1.246 19945 12774 1 13 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.198 -0.881 19945 12775 1 13 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.132 0.326 19945 12776 1 13 . 1 1 137 137 ASP H H 137 8.232 8.232 8.332 -0.100 19945 12777 1 13 . 1 1 138 138 HIS N N 138 117.829 117.829 117.244 0.585 19945 12778 1 13 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.041 0.241 19945 12779 1 13 . 1 1 138 138 HIS C C 138 175.130 175.130 173.841 1.289 19945 12780 1 13 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.546 1.053 19945 12781 1 13 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.644 -0.644 19945 12782 1 13 . 1 1 138 138 HIS H H 138 7.764 7.764 7.746 0.018 19945 12783 1 13 . 1 1 139 139 PHE N N 139 123.553 123.553 122.615 0.938 19945 12784 1 13 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.744 0.275 19945 12785 1 13 . 1 1 139 139 PHE C C 139 177.477 177.477 177.144 0.333 19945 12786 1 13 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.527 -0.968 19945 12787 1 13 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.779 3.092 19945 12788 1 13 . 1 1 139 139 PHE H H 139 9.955 9.955 9.665 0.290 19945 12789 1 13 . 1 1 140 140 VAL N N 140 119.420 119.420 120.629 -1.209 19945 12790 1 13 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.341 -0.663 19945 12791 1 13 . 1 1 140 140 VAL C C 140 173.023 173.023 175.302 -2.279 19945 12792 1 13 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.664 -1.547 19945 12793 1 13 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.796 -0.260 19945 12794 1 13 . 1 1 140 140 VAL H H 140 9.178 9.178 8.754 0.424 19945 12795 1 13 . 1 1 141 141 GLY N N 141 105.680 105.680 103.728 1.952 19945 12796 1 13 . 1 1 141 141 GLY C C 141 171.284 171.284 173.029 -1.745 19945 12797 1 13 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.929 0.792 19945 12798 1 13 . 1 1 141 141 GLY H H 141 6.837 6.837 7.503 -0.666 19945 12799 1 13 . 1 1 142 142 LEU N N 142 118.516 118.516 121.617 -3.101 19945 12800 1 13 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.336 -0.289 19945 12801 1 13 . 1 1 142 142 LEU C C 142 173.725 173.725 174.638 -0.913 19945 12802 1 13 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.838 0.866 19945 12803 1 13 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.520 -2.780 19945 12804 1 13 . 1 1 142 142 LEU H H 142 7.423 7.423 7.629 -0.206 19945 12805 1 13 . 1 1 143 143 ALA N N 143 128.382 128.382 129.232 -0.850 19945 12806 1 13 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.700 -0.226 19945 12807 1 13 . 1 1 143 143 ALA C C 143 175.685 175.685 176.768 -1.083 19945 12808 1 13 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.911 -0.280 19945 12809 1 13 . 1 1 143 143 ALA CB C 143 19.847 19.847 20.248 -0.401 19945 12810 1 13 . 1 1 143 143 ALA H H 143 5.414 5.414 7.518 -2.104 19945 12811 1 13 . 1 1 144 144 ILE N N 144 126.754 126.754 121.352 5.402 19945 12812 1 13 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.219 0.096 19945 12813 1 13 . 1 1 144 144 ILE C C 144 173.725 173.725 175.168 -1.443 19945 12814 1 13 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.125 -4.404 19945 12815 1 13 . 1 1 144 144 ILE CB C 144 37.630 37.630 39.108 -1.478 19945 12816 1 13 . 1 1 144 144 ILE H H 144 8.849 8.849 8.095 0.754 19945 12817 1 13 . 1 1 145 145 ASP N N 145 125.518 125.518 119.782 5.736 19945 12818 1 13 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.368 1.428 19945 12819 1 13 . 1 1 145 145 ASP C C 145 176.830 176.830 175.388 1.442 19945 12820 1 13 . 1 1 145 145 ASP CA C 145 52.553 52.553 55.438 -2.885 19945 12821 1 13 . 1 1 145 145 ASP CB C 145 43.502 43.502 41.581 1.921 19945 12822 1 13 . 1 1 145 145 ASP H H 145 8.088 8.088 8.813 -0.725 19945 12823 1 13 . 1 1 146 146 GLU N N 146 125.475 125.475 119.465 6.010 19945 12824 1 13 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.544 0.119 19945 12825 1 13 . 1 1 146 146 GLU C C 146 177.132 177.132 174.887 2.245 19945 12826 1 13 . 1 1 146 146 GLU CA C 146 56.273 56.273 55.937 0.336 19945 12827 1 13 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.631 0.619 19945 12828 1 13 . 1 1 146 146 GLU H H 146 8.390 8.390 8.806 -0.416 19945 12829 1 13 . 1 1 147 147 ASP N N 147 120.137 120.137 117.362 2.775 19945 12830 1 13 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.562 0.005 19945 12831 1 13 . 1 1 147 147 ASP C C 147 178.126 178.126 174.411 3.715 19945 12832 1 13 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.607 2.394 19945 12833 1 13 . 1 1 147 147 ASP CB C 147 43.250 43.250 43.300 -0.050 19945 12834 1 13 . 1 1 147 147 ASP H H 147 8.599 8.599 8.860 -0.261 19945 12835 1 13 . 1 1 148 148 ARG N N 148 115.655 115.655 116.730 -1.075 19945 12836 1 13 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.837 -0.139 19945 12837 1 13 . 1 1 148 148 ARG C C 148 177.704 177.704 175.016 2.688 19945 12838 1 13 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.597 -3.637 19945 12839 1 13 . 1 1 148 148 ARG CB C 148 30.814 30.814 32.761 -1.947 19945 12840 1 13 . 1 1 148 148 ARG H H 148 9.762 9.762 8.504 1.258 19945 12841 1 13 . 1 1 149 149 GLN N N 149 116.313 116.313 118.519 -2.206 19945 12842 1 13 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.791 0.508 19945 12843 1 13 . 1 1 149 149 GLN C C 149 175.142 175.142 173.623 1.519 19945 12844 1 13 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.788 0.613 19945 12845 1 13 . 1 1 149 149 GLN CB C 149 30.841 30.841 30.597 0.244 19945 12846 1 13 . 1 1 149 149 GLN H H 149 7.622 7.622 7.939 -0.317 19945 12847 1 13 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.401 0.280 19945 12848 1 13 . 1 1 150 150 PRO C C 150 179.483 179.483 175.610 3.873 19945 12849 1 13 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.175 2.151 19945 12850 1 13 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.040 -1.388 19945 12851 1 13 . 1 1 151 151 GLU N N 151 122.981 122.981 122.316 0.665 19945 12852 1 13 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.408 -0.007 19945 12853 1 13 . 1 1 151 151 GLU C C 151 177.041 177.041 175.591 1.450 19945 12854 1 13 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.007 3.391 19945 12855 1 13 . 1 1 151 151 GLU CB C 151 27.582 27.582 32.304 -4.722 19945 12856 1 13 . 1 1 151 151 GLU H H 151 10.520 10.520 8.019 2.501 19945 12857 1 13 . 1 1 152 152 LEU N N 152 120.119 120.119 119.242 0.877 19945 12858 1 13 . 1 1 152 152 LEU HA H 152 4.691 4.691 3.985 0.706 19945 12859 1 13 . 1 1 152 152 LEU C C 152 177.222 177.222 177.089 0.133 19945 12860 1 13 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.453 -1.144 19945 12861 1 13 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.552 1.383 19945 12862 1 13 . 1 1 152 152 LEU H H 152 7.589 7.589 8.845 -1.256 19945 12863 1 13 . 1 1 153 153 THR N N 153 119.637 119.637 115.572 4.065 19945 12864 1 13 . 1 1 153 153 THR HA H 153 3.592 3.592 4.004 -0.412 19945 12865 1 13 . 1 1 153 153 THR C C 153 174.178 174.178 176.062 -1.884 19945 12866 1 13 . 1 1 153 153 THR CA C 153 67.960 67.960 66.483 1.477 19945 12867 1 13 . 1 1 153 153 THR CB C 153 69.023 69.023 68.519 0.504 19945 12868 1 13 . 1 1 153 153 THR H H 153 7.469 7.469 8.297 -0.828 19945 12869 1 13 . 1 1 154 154 ALA N N 154 123.665 123.665 122.349 1.316 19945 12870 1 13 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.191 -0.303 19945 12871 1 13 . 1 1 154 154 ALA C C 154 180.417 180.417 179.659 0.758 19945 12872 1 13 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.854 1.684 19945 12873 1 13 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.175 -0.953 19945 12874 1 13 . 1 1 154 154 ALA H H 154 9.077 9.077 8.283 0.794 19945 12875 1 13 . 1 1 155 155 GLU N N 155 119.661 119.661 119.158 0.503 19945 12876 1 13 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.081 0.171 19945 12877 1 13 . 1 1 155 155 GLU C C 155 178.518 178.518 179.386 -0.868 19945 12878 1 13 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.388 -0.570 19945 12879 1 13 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.112 0.595 19945 12880 1 13 . 1 1 155 155 GLU H H 155 8.647 8.647 7.975 0.672 19945 12881 1 13 . 1 1 156 156 ARG N N 156 120.739 120.739 119.642 1.097 19945 12882 1 13 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.335 -0.117 19945 12883 1 13 . 1 1 156 156 ARG C C 156 177.252 177.252 179.028 -1.776 19945 12884 1 13 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.575 0.894 19945 12885 1 13 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.558 0.465 19945 12886 1 13 . 1 1 156 156 ARG H H 156 8.129 8.129 8.463 -0.334 19945 12887 1 13 . 1 1 157 157 VAL N N 157 117.372 117.372 116.961 0.411 19945 12888 1 13 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.642 -0.323 19945 12889 1 13 . 1 1 157 157 VAL C C 157 177.192 177.192 177.457 -0.265 19945 12890 1 13 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.333 1.067 19945 12891 1 13 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.242 0.590 19945 12892 1 13 . 1 1 157 157 VAL H H 157 8.578 8.578 8.313 0.265 19945 12893 1 13 . 1 1 158 158 GLU N N 158 118.631 118.631 121.713 -3.082 19945 12894 1 13 . 1 1 158 158 GLU HA H 158 4.197 4.197 3.921 0.276 19945 12895 1 13 . 1 1 158 158 GLU C C 158 179.995 179.995 179.005 0.990 19945 12896 1 13 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.345 -0.607 19945 12897 1 13 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.547 -0.370 19945 12898 1 13 . 1 1 158 158 GLU H H 158 8.046 8.046 8.045 0.001 19945 12899 1 13 . 1 1 159 159 LYS N N 159 118.860 118.860 119.553 -0.693 19945 12900 1 13 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.093 0.093 19945 12901 1 13 . 1 1 159 159 LYS C C 159 179.844 179.844 179.210 0.634 19945 12902 1 13 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.521 0.474 19945 12903 1 13 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.539 1.153 19945 12904 1 13 . 1 1 159 159 LYS H H 159 8.522 8.522 8.308 0.214 19945 12905 1 13 . 1 1 160 160 TRP N N 160 125.100 125.100 121.904 3.196 19945 12906 1 13 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.910 -0.540 19945 12907 1 13 . 1 1 160 160 TRP C C 160 178.006 178.006 178.336 -0.330 19945 12908 1 13 . 1 1 160 160 TRP CA C 160 62.814 62.814 60.964 1.850 19945 12909 1 13 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.504 -0.712 19945 12910 1 13 . 1 1 160 160 TRP H H 160 9.076 9.076 8.183 0.893 19945 12911 1 13 . 1 1 161 161 VAL N N 161 118.402 118.402 119.689 -1.287 19945 12912 1 13 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.199 0.171 19945 12913 1 13 . 1 1 161 161 VAL C C 161 179.392 179.392 178.252 1.140 19945 12914 1 13 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.634 0.370 19945 12915 1 13 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.260 -0.910 19945 12916 1 13 . 1 1 161 161 VAL H H 161 9.024 9.024 8.715 0.309 19945 12917 1 13 . 1 1 162 162 LYS N N 162 123.209 123.209 119.549 3.660 19945 12918 1 13 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.919 0.083 19945 12919 1 13 . 1 1 162 162 LYS C C 162 178.759 178.759 178.842 -0.083 19945 12920 1 13 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.859 0.513 19945 12921 1 13 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.062 0.302 19945 12922 1 13 . 1 1 162 162 LYS H H 162 7.820 7.820 8.263 -0.443 19945 12923 1 13 . 1 1 163 163 GLN N N 163 121.722 121.722 118.135 3.587 19945 12924 1 13 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.052 0.138 19945 12925 1 13 . 1 1 163 163 GLN C C 163 179.935 179.935 178.715 1.220 19945 12926 1 13 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.672 1.054 19945 12927 1 13 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.599 0.423 19945 12928 1 13 . 1 1 163 163 GLN H H 163 8.126 8.126 7.434 0.692 19945 12929 1 13 . 1 1 164 164 ILE N N 164 114.390 114.390 117.391 -3.001 19945 12930 1 13 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.726 0.264 19945 12931 1 13 . 1 1 164 164 ILE C C 164 178.156 178.156 177.521 0.635 19945 12932 1 13 . 1 1 164 164 ILE CA C 164 65.176 65.176 63.922 1.254 19945 12933 1 13 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.339 0.339 19945 12934 1 13 . 1 1 164 164 ILE H H 164 9.110 9.110 7.589 1.521 19945 12935 1 13 . 1 1 165 165 SER N N 165 119.660 119.660 116.976 2.684 19945 12936 1 13 . 1 1 165 165 SER HA H 165 3.976 3.976 3.993 -0.017 19945 12937 1 13 . 1 1 165 165 SER C C 165 176.438 176.438 176.133 0.305 19945 12938 1 13 . 1 1 165 165 SER CA C 165 63.180 63.180 62.851 0.329 19945 12939 1 13 . 1 1 165 165 SER CB C 165 62.383 62.383 62.624 -0.241 19945 12940 1 13 . 1 1 165 165 SER H H 165 8.278 8.278 8.605 -0.327 19945 12941 1 13 . 1 1 166 166 GLU N N 166 122.290 122.290 118.268 4.022 19945 12942 1 13 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.236 -0.026 19945 12943 1 13 . 1 1 166 166 GLU C C 166 179.965 179.965 176.889 3.076 19945 12944 1 13 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.502 1.693 19945 12945 1 13 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.498 -0.254 19945 12946 1 13 . 1 1 166 166 GLU H H 166 7.345 7.345 7.804 -0.459 19945 12947 1 13 . 1 1 167 167 GLU N N 167 120.787 120.787 118.524 2.263 19945 12948 1 13 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.020 -0.081 19945 12949 1 13 . 1 1 167 167 GLU C C 167 178.518 178.518 177.522 0.996 19945 12950 1 13 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.329 1.671 19945 12951 1 13 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.168 0.632 19945 12952 1 13 . 1 1 167 167 GLU H H 167 8.413 8.413 7.386 1.027 19945 12953 1 13 . 1 1 168 168 LEU N N 168 115.420 115.420 116.166 -0.746 19945 12954 1 13 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.326 -0.189 19945 12955 1 13 . 1 1 168 168 LEU C C 168 175.896 175.896 176.799 -0.903 19945 12956 1 13 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.209 0.571 19945 12957 1 13 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.191 1.109 19945 12958 1 13 . 1 1 168 168 LEU H H 168 8.553 8.553 7.903 0.650 19945 12959 1 13 . 1 1 169 169 HIS N N 169 113.347 113.347 113.495 -0.148 19945 12960 1 13 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.339 0.012 19945 12961 1 13 . 1 1 169 169 HIS C C 169 175.835 175.835 176.432 -0.597 19945 12962 1 13 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.944 -0.671 19945 12963 1 13 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.531 -0.809 19945 12964 1 13 . 1 1 169 169 HIS H H 169 7.550 7.550 7.892 -0.342 19945 12965 1 13 . 1 1 170 170 LEU N N 170 117.250 117.250 119.330 -2.080 19945 12966 1 13 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.104 -0.101 19945 12967 1 13 . 1 1 170 170 LEU C C 170 178.096 178.096 177.764 0.332 19945 12968 1 13 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.522 1.446 19945 12969 1 13 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.011 0.847 19945 12970 1 13 . 1 1 170 170 LEU H H 170 8.069 8.069 7.745 0.324 19945 12971 1 13 . 1 1 171 171 ASP N N 171 117.300 117.300 120.318 -3.018 19945 12972 1 13 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.263 0.072 19945 12973 1 13 . 1 1 171 171 ASP C C 171 177.915 177.915 178.029 -0.114 19945 12974 1 13 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.029 -1.339 19945 12975 1 13 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.839 -0.779 19945 12976 1 13 . 1 1 171 171 ASP H H 171 8.732 8.732 8.463 0.269 19945 12977 1 13 . 1 1 172 172 GLU N N 172 119.203 119.203 116.499 2.704 19945 12978 1 13 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.208 0.019 19945 12979 1 13 . 1 1 172 172 GLU C C 172 178.277 178.277 177.311 0.966 19945 12980 1 13 . 1 1 172 172 GLU CA C 172 58.132 58.132 57.728 0.404 19945 12981 1 13 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.760 0.240 19945 12982 1 13 . 1 1 172 172 GLU H H 172 7.804 7.804 7.806 -0.002 19945 12983 1 13 . 1 1 173 173 ILE N N 173 119.519 119.519 117.161 2.358 19945 12984 1 13 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.145 -0.092 19945 12985 1 13 . 1 1 173 173 ILE C C 173 178.006 178.006 177.935 0.071 19945 12986 1 13 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.239 0.361 19945 12987 1 13 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.515 -0.515 19945 12988 1 13 . 1 1 173 173 ILE H H 173 7.787 7.787 7.674 0.113 19945 12989 1 13 . 1 1 174 174 LEU N N 174 121.260 121.260 118.143 3.117 19945 12990 1 13 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.316 -0.030 19945 12991 1 13 . 1 1 174 174 LEU C C 174 177.704 177.704 177.419 0.285 19945 12992 1 13 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.376 -1.103 19945 12993 1 13 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.459 -0.000 19945 12994 1 13 . 1 1 174 174 LEU H H 174 8.241 8.241 8.502 -0.261 19945 12995 1 13 . 1 1 175 175 ASN N N 175 118.280 118.280 117.682 0.598 19945 12996 1 13 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.827 0.002 19945 12997 1 13 . 1 1 175 175 ASN C C 175 173.846 173.846 174.902 -1.056 19945 12998 1 13 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.630 1.592 19945 12999 1 13 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.260 0.012 19945 13000 1 13 . 1 1 175 175 ASN H H 175 7.883 7.883 8.017 -0.134 19945 13001 1 14 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.744 -0.492 19945 13002 1 14 . 1 1 2 2 ALA C C 2 174.479 174.479 178.244 -3.765 19945 13003 1 14 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.605 1.863 19945 13004 1 14 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.259 -1.092 19945 13005 1 14 . 1 1 3 3 ILE N N 3 116.571 116.571 114.794 1.777 19945 13006 1 14 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.203 0.342 19945 13007 1 14 . 1 1 3 3 ILE C C 3 175.806 175.806 175.984 -0.178 19945 13008 1 14 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.906 0.289 19945 13009 1 14 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.465 0.945 19945 13010 1 14 . 1 1 3 3 ILE H H 3 8.456 8.456 8.322 0.134 19945 13011 1 14 . 1 1 4 4 THR N N 4 115.734 115.734 117.209 -1.475 19945 13012 1 14 . 1 1 4 4 THR HA H 4 5.124 5.124 5.122 0.002 19945 13013 1 14 . 1 1 4 4 THR C C 4 172.410 172.410 173.729 -1.319 19945 13014 1 14 . 1 1 4 4 THR CA C 4 61.724 61.724 61.517 0.207 19945 13015 1 14 . 1 1 4 4 THR CB C 4 70.059 70.059 70.824 -0.765 19945 13016 1 14 . 1 1 4 4 THR H H 4 8.244 8.244 8.040 0.204 19945 13017 1 14 . 1 1 5 5 GLY N N 5 116.016 116.016 111.878 4.138 19945 13018 1 14 . 1 1 5 5 GLY C C 5 171.077 171.077 172.225 -1.148 19945 13019 1 14 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.175 0.334 19945 13020 1 14 . 1 1 5 5 GLY H H 5 8.554 8.554 8.845 -0.291 19945 13021 1 14 . 1 1 6 6 ILE N N 6 126.504 126.504 126.199 0.305 19945 13022 1 14 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.990 0.461 19945 13023 1 14 . 1 1 6 6 ILE C C 6 175.245 175.245 174.539 0.706 19945 13024 1 14 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.108 -1.190 19945 13025 1 14 . 1 1 6 6 ILE CB C 6 38.208 38.208 39.330 -1.122 19945 13026 1 14 . 1 1 6 6 ILE H H 6 8.719 8.719 8.972 -0.253 19945 13027 1 14 . 1 1 7 7 PHE N N 7 127.559 127.559 126.337 1.222 19945 13028 1 14 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.660 -0.047 19945 13029 1 14 . 1 1 7 7 PHE C C 7 174.634 174.634 174.944 -0.310 19945 13030 1 14 . 1 1 7 7 PHE CA C 7 55.663 55.663 55.900 -0.237 19945 13031 1 14 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.938 -0.250 19945 13032 1 14 . 1 1 7 7 PHE H H 7 9.609 9.609 9.517 0.092 19945 13033 1 14 . 1 1 8 8 PHE N N 8 120.006 120.006 120.504 -0.498 19945 13034 1 14 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.291 0.933 19945 13035 1 14 . 1 1 8 8 PHE C C 8 171.212 171.212 174.400 -3.188 19945 13036 1 14 . 1 1 8 8 PHE CA C 8 54.679 54.679 54.978 -0.299 19945 13037 1 14 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.365 2.156 19945 13038 1 14 . 1 1 8 8 PHE H H 8 8.545 8.545 8.759 -0.214 19945 13039 1 14 . 1 1 9 9 GLY N N 9 109.650 109.650 110.464 -0.814 19945 13040 1 14 . 1 1 9 9 GLY C C 9 172.512 172.512 172.637 -0.125 19945 13041 1 14 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.690 0.628 19945 13042 1 14 . 1 1 9 9 GLY H H 9 7.701 7.701 8.048 -0.347 19945 13043 1 14 . 1 1 10 10 SER N N 10 115.953 115.953 116.619 -0.666 19945 13044 1 14 . 1 1 10 10 SER HA H 10 5.001 5.001 4.783 0.218 19945 13045 1 14 . 1 1 10 10 SER C C 10 173.439 173.439 173.202 0.237 19945 13046 1 14 . 1 1 10 10 SER CA C 10 58.308 58.308 57.873 0.435 19945 13047 1 14 . 1 1 10 10 SER CB C 10 66.423 66.423 66.971 -0.548 19945 13048 1 14 . 1 1 10 10 SER H H 10 8.634 8.634 8.162 0.472 19945 13049 1 14 . 1 1 11 11 ASP N N 11 104.000 104.000 120.509 -16.509 19945 13050 1 14 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.532 0.442 19945 13051 1 14 . 1 1 11 11 ASP C C 11 179.108 179.108 177.115 1.993 19945 13052 1 14 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.881 -0.332 19945 13053 1 14 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.320 -1.220 19945 13054 1 14 . 1 1 11 11 ASP H H 11 11.201 11.201 8.831 2.370 19945 13055 1 14 . 1 1 12 12 THR N N 12 112.000 112.000 114.095 -2.095 19945 13056 1 14 . 1 1 12 12 THR HA H 12 4.804 4.804 4.341 0.463 19945 13057 1 14 . 1 1 12 12 THR C C 12 175.080 175.080 175.909 -0.829 19945 13058 1 14 . 1 1 12 12 THR CA C 12 60.237 60.237 62.684 -2.447 19945 13059 1 14 . 1 1 12 12 THR CB C 12 68.567 68.567 69.056 -0.489 19945 13060 1 14 . 1 1 12 12 THR H H 12 9.311 9.311 8.178 1.133 19945 13061 1 14 . 1 1 13 13 GLY N N 13 112.221 112.221 110.050 2.171 19945 13062 1 14 . 1 1 13 13 GLY C C 13 176.690 176.690 174.610 2.080 19945 13063 1 14 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.865 1.435 19945 13064 1 14 . 1 1 13 13 GLY H H 13 8.000 8.000 8.358 -0.358 19945 13065 1 14 . 1 1 14 14 ASN N N 14 128.520 128.520 118.105 10.415 19945 13066 1 14 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.622 0.004 19945 13067 1 14 . 1 1 14 14 ASN C C 14 178.888 178.888 177.246 1.642 19945 13068 1 14 . 1 1 14 14 ASN CA C 14 57.064 57.064 54.991 2.073 19945 13069 1 14 . 1 1 14 14 ASN CB C 14 36.834 36.834 39.130 -2.296 19945 13070 1 14 . 1 1 14 14 ASN H H 14 11.112 11.112 8.653 2.459 19945 13071 1 14 . 1 1 15 15 THR N N 15 122.550 122.550 117.280 5.270 19945 13072 1 14 . 1 1 15 15 THR HA H 15 4.369 4.369 4.006 0.363 19945 13073 1 14 . 1 1 15 15 THR C C 15 176.786 176.786 175.837 0.949 19945 13074 1 14 . 1 1 15 15 THR CA C 15 67.325 67.325 65.978 1.347 19945 13075 1 14 . 1 1 15 15 THR CB C 15 67.961 67.961 68.531 -0.570 19945 13076 1 14 . 1 1 15 15 THR H H 15 11.327 11.327 7.992 3.335 19945 13077 1 14 . 1 1 16 16 GLU N N 16 120.578 120.578 121.125 -0.547 19945 13078 1 14 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.631 -0.344 19945 13079 1 14 . 1 1 16 16 GLU C C 16 176.642 176.642 178.008 -1.366 19945 13080 1 14 . 1 1 16 16 GLU CA C 16 59.069 59.069 58.880 0.189 19945 13081 1 14 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.300 0.077 19945 13082 1 14 . 1 1 16 16 GLU H H 16 6.590 6.590 7.991 -1.401 19945 13083 1 14 . 1 1 17 17 ASN N N 17 118.000 118.000 118.808 -0.808 19945 13084 1 14 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.460 -0.150 19945 13085 1 14 . 1 1 17 17 ASN C C 17 178.255 178.255 177.468 0.787 19945 13086 1 14 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.503 0.798 19945 13087 1 14 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.291 -0.653 19945 13088 1 14 . 1 1 17 17 ASN H H 17 7.705 7.705 7.680 0.025 19945 13089 1 14 . 1 1 18 18 ILE N N 18 119.430 119.430 120.389 -0.959 19945 13090 1 14 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.790 -0.138 19945 13091 1 14 . 1 1 18 18 ILE C C 18 177.564 177.564 177.915 -0.351 19945 13092 1 14 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.020 -0.520 19945 13093 1 14 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.380 -1.829 19945 13094 1 14 . 1 1 18 18 ILE H H 18 8.141 8.141 7.399 0.742 19945 13095 1 14 . 1 1 19 19 ALA N N 19 123.208 123.208 122.451 0.757 19945 13096 1 14 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.934 -0.266 19945 13097 1 14 . 1 1 19 19 ALA C C 19 178.888 178.888 179.568 -0.680 19945 13098 1 14 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.573 0.082 19945 13099 1 14 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.058 0.757 19945 13100 1 14 . 1 1 19 19 ALA H H 19 8.304 8.304 8.580 -0.276 19945 13101 1 14 . 1 1 20 20 LYS N N 20 116.460 116.460 118.668 -2.208 19945 13102 1 14 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.970 -0.154 19945 13103 1 14 . 1 1 20 20 LYS C C 20 179.666 179.666 179.056 0.610 19945 13104 1 14 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.425 0.397 19945 13105 1 14 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.314 -0.216 19945 13106 1 14 . 1 1 20 20 LYS H H 20 7.722 7.722 7.617 0.105 19945 13107 1 14 . 1 1 21 21 MET N N 21 123.880 123.880 118.769 5.111 19945 13108 1 14 . 1 1 21 21 MET HA H 21 3.946 3.946 4.073 -0.127 19945 13109 1 14 . 1 1 21 21 MET C C 21 179.435 179.435 178.855 0.580 19945 13110 1 14 . 1 1 21 21 MET CA C 21 59.662 59.662 59.110 0.552 19945 13111 1 14 . 1 1 21 21 MET CB C 21 34.262 34.262 32.537 1.725 19945 13112 1 14 . 1 1 21 21 MET H H 21 8.336 8.336 8.152 0.184 19945 13113 1 14 . 1 1 22 22 ILE N N 22 122.065 122.065 120.660 1.405 19945 13114 1 14 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.536 -0.291 19945 13115 1 14 . 1 1 22 22 ILE C C 22 177.592 177.592 177.557 0.035 19945 13116 1 14 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.519 0.205 19945 13117 1 14 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.622 0.055 19945 13118 1 14 . 1 1 22 22 ILE H H 22 8.500 8.500 8.125 0.375 19945 13119 1 14 . 1 1 23 23 GLN N N 23 119.264 119.264 119.899 -0.635 19945 13120 1 14 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.853 -0.409 19945 13121 1 14 . 1 1 23 23 GLN C C 23 177.017 177.017 178.408 -1.391 19945 13122 1 14 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.375 0.316 19945 13123 1 14 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.516 -0.668 19945 13124 1 14 . 1 1 23 23 GLN H H 23 7.985 7.985 8.417 -0.432 19945 13125 1 14 . 1 1 24 24 LYS N N 24 118.970 118.970 117.735 1.235 19945 13126 1 14 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.058 -0.138 19945 13127 1 14 . 1 1 24 24 LYS C C 24 178.427 178.427 178.994 -0.567 19945 13128 1 14 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.526 0.634 19945 13129 1 14 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.964 0.400 19945 13130 1 14 . 1 1 24 24 LYS H H 24 7.942 7.942 8.347 -0.405 19945 13131 1 14 . 1 1 25 25 GLN N N 25 118.400 118.400 117.200 1.200 19945 13132 1 14 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.129 -0.126 19945 13133 1 14 . 1 1 25 25 GLN C C 25 178.226 178.226 177.894 0.332 19945 13134 1 14 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.702 0.381 19945 13135 1 14 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.967 -0.057 19945 13136 1 14 . 1 1 25 25 GLN H H 25 7.636 7.636 7.625 0.011 19945 13137 1 14 . 1 1 26 26 LEU N N 26 119.080 119.080 118.624 0.456 19945 13138 1 14 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.216 -0.197 19945 13139 1 14 . 1 1 26 26 LEU C C 26 177.247 177.247 177.868 -0.621 19945 13140 1 14 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.298 0.771 19945 13141 1 14 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.728 0.420 19945 13142 1 14 . 1 1 26 26 LEU H H 26 8.098 8.098 7.939 0.159 19945 13143 1 14 . 1 1 27 27 GLY N N 27 107.750 107.750 106.648 1.102 19945 13144 1 14 . 1 1 27 27 GLY C C 27 175.231 175.231 173.842 1.389 19945 13145 1 14 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.565 -0.505 19945 13146 1 14 . 1 1 27 27 GLY H H 27 8.050 8.050 7.955 0.095 19945 13147 1 14 . 1 1 28 28 LYS N N 28 125.187 125.187 123.358 1.829 19945 13148 1 14 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.302 -0.079 19945 13149 1 14 . 1 1 28 28 LYS C C 28 176.372 176.372 177.020 -0.648 19945 13150 1 14 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.320 0.609 19945 13151 1 14 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.502 -0.404 19945 13152 1 14 . 1 1 28 28 LYS H H 28 8.786 8.786 8.647 0.139 19945 13153 1 14 . 1 1 29 29 ASP N N 29 115.960 115.960 116.059 -0.099 19945 13154 1 14 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.551 0.024 19945 13155 1 14 . 1 1 29 29 ASP C C 29 176.437 176.437 177.481 -1.044 19945 13156 1 14 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.554 -1.344 19945 13157 1 14 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.758 -0.956 19945 13158 1 14 . 1 1 29 29 ASP H H 29 8.919 8.919 8.403 0.516 19945 13159 1 14 . 1 1 30 30 VAL N N 30 120.609 120.609 118.295 2.314 19945 13160 1 14 . 1 1 30 30 VAL HA H 30 4.056 4.056 3.981 0.075 19945 13161 1 14 . 1 1 30 30 VAL C C 30 174.656 174.656 174.944 -0.288 19945 13162 1 14 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.886 -0.166 19945 13163 1 14 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.663 0.175 19945 13164 1 14 . 1 1 30 30 VAL H H 30 7.573 7.573 7.535 0.038 19945 13165 1 14 . 1 1 31 31 ALA N N 31 123.100 123.100 118.983 4.117 19945 13166 1 14 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.134 0.397 19945 13167 1 14 . 1 1 31 31 ALA C C 31 175.174 175.174 174.995 0.179 19945 13168 1 14 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.572 -0.410 19945 13169 1 14 . 1 1 31 31 ALA CB C 31 23.331 23.331 21.910 1.421 19945 13170 1 14 . 1 1 31 31 ALA H H 31 7.951 7.951 8.063 -0.112 19945 13171 1 14 . 1 1 32 32 ASP N N 32 121.576 121.576 122.460 -0.884 19945 13172 1 14 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.026 -0.157 19945 13173 1 14 . 1 1 32 32 ASP C C 32 174.771 174.771 174.520 0.251 19945 13174 1 14 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.972 0.440 19945 13175 1 14 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.759 -0.972 19945 13176 1 14 . 1 1 32 32 ASP H H 32 8.175 8.175 8.701 -0.526 19945 13177 1 14 . 1 1 33 33 VAL N N 33 120.428 120.428 120.764 -0.336 19945 13178 1 14 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.676 -0.019 19945 13179 1 14 . 1 1 33 33 VAL C C 33 174.252 174.252 174.665 -0.413 19945 13180 1 14 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.450 -0.147 19945 13181 1 14 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.345 -0.469 19945 13182 1 14 . 1 1 33 33 VAL H H 33 8.397 8.397 8.098 0.299 19945 13183 1 14 . 1 1 34 34 HIS N N 34 125.285 125.285 124.492 0.793 19945 13184 1 14 . 1 1 34 34 HIS HA H 34 4.553 4.553 5.060 -0.507 19945 13185 1 14 . 1 1 34 34 HIS C C 34 171.920 171.920 172.574 -0.654 19945 13186 1 14 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.790 -1.219 19945 13187 1 14 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.154 -0.734 19945 13188 1 14 . 1 1 34 34 HIS H H 34 8.945 8.945 9.113 -0.168 19945 13189 1 14 . 1 1 35 35 ASP N N 35 124.120 124.120 118.754 5.366 19945 13190 1 14 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.803 -1.506 19945 13191 1 14 . 1 1 35 35 ASP C C 35 179.780 179.780 176.801 2.979 19945 13192 1 14 . 1 1 35 35 ASP CA C 35 51.756 51.756 51.888 -0.132 19945 13193 1 14 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.129 -1.733 19945 13194 1 14 . 1 1 35 35 ASP H H 35 8.589 8.589 8.742 -0.153 19945 13195 1 14 . 1 1 36 36 ILE N N 36 106.681 106.681 126.951 -20.270 19945 13196 1 14 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.425 0.129 19945 13197 1 14 . 1 1 36 36 ILE C C 36 175.404 175.404 177.032 -1.628 19945 13198 1 14 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.958 -3.608 19945 13199 1 14 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.261 2.010 19945 13200 1 14 . 1 1 36 36 ILE H H 36 9.705 9.705 8.930 0.775 19945 13201 1 14 . 1 1 37 37 ALA N N 37 123.095 123.095 123.224 -0.129 19945 13202 1 14 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.002 0.087 19945 13203 1 14 . 1 1 37 37 ALA C C 37 178.140 178.140 178.043 0.097 19945 13204 1 14 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.790 -1.174 19945 13205 1 14 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.668 0.678 19945 13206 1 14 . 1 1 37 37 ALA H H 37 8.261 8.261 8.582 -0.321 19945 13207 1 14 . 1 1 38 38 LYS N N 38 115.312 115.312 115.016 0.296 19945 13208 1 14 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.395 0.216 19945 13209 1 14 . 1 1 38 38 LYS C C 38 176.498 176.498 176.279 0.219 19945 13210 1 14 . 1 1 38 38 LYS CA C 38 54.147 54.147 55.667 -1.520 19945 13211 1 14 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.006 0.420 19945 13212 1 14 . 1 1 38 38 LYS H H 38 7.437 7.437 7.868 -0.431 19945 13213 1 14 . 1 1 39 39 SER N N 39 115.623 115.623 116.843 -1.220 19945 13214 1 14 . 1 1 39 39 SER HA H 39 5.019 5.019 4.496 0.523 19945 13215 1 14 . 1 1 39 39 SER C C 39 171.402 171.402 173.553 -2.151 19945 13216 1 14 . 1 1 39 39 SER CA C 39 58.929 58.929 58.164 0.765 19945 13217 1 14 . 1 1 39 39 SER CB C 39 65.538 65.538 64.131 1.407 19945 13218 1 14 . 1 1 39 39 SER H H 39 7.051 7.051 7.495 -0.444 19945 13219 1 14 . 1 1 40 40 SER N N 40 118.860 118.860 115.572 3.288 19945 13220 1 14 . 1 1 40 40 SER HA H 40 5.025 5.025 4.858 0.167 19945 13221 1 14 . 1 1 40 40 SER C C 40 174.741 174.741 174.605 0.136 19945 13222 1 14 . 1 1 40 40 SER CA C 40 56.003 56.003 57.296 -1.293 19945 13223 1 14 . 1 1 40 40 SER CB C 40 67.416 67.416 66.321 1.095 19945 13224 1 14 . 1 1 40 40 SER H H 40 9.377 9.377 7.879 1.498 19945 13225 1 14 . 1 1 41 41 LYS N N 41 122.504 122.504 123.372 -0.868 19945 13226 1 14 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.006 -0.268 19945 13227 1 14 . 1 1 41 41 LYS C C 41 177.391 177.391 177.948 -0.557 19945 13228 1 14 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.475 0.498 19945 13229 1 14 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.356 0.951 19945 13230 1 14 . 1 1 41 41 LYS H H 41 9.098 9.098 8.897 0.201 19945 13231 1 14 . 1 1 42 42 GLU N N 42 115.836 115.836 115.476 0.360 19945 13232 1 14 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.288 -0.160 19945 13233 1 14 . 1 1 42 42 GLU C C 42 178.773 178.773 178.533 0.240 19945 13234 1 14 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.696 1.296 19945 13235 1 14 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.333 -0.689 19945 13236 1 14 . 1 1 42 42 GLU H H 42 8.839 8.839 8.665 0.174 19945 13237 1 14 . 1 1 43 43 ASP N N 43 119.589 119.589 120.442 -0.853 19945 13238 1 14 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.472 0.014 19945 13239 1 14 . 1 1 43 43 ASP C C 43 177.564 177.564 178.186 -0.622 19945 13240 1 14 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.644 0.957 19945 13241 1 14 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.033 -0.227 19945 13242 1 14 . 1 1 43 43 ASP H H 43 7.794 7.794 7.672 0.122 19945 13243 1 14 . 1 1 44 44 LEU N N 44 118.745 118.745 119.924 -1.179 19945 13244 1 14 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.273 -0.302 19945 13245 1 14 . 1 1 44 44 LEU C C 44 178.600 178.600 179.356 -0.756 19945 13246 1 14 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.031 1.851 19945 13247 1 14 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.800 0.924 19945 13248 1 14 . 1 1 44 44 LEU H H 44 6.854 6.854 8.174 -1.320 19945 13249 1 14 . 1 1 45 45 GLU N N 45 114.280 114.280 117.763 -3.483 19945 13250 1 14 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.136 -0.509 19945 13251 1 14 . 1 1 45 45 GLU C C 45 176.988 176.988 177.849 -0.861 19945 13252 1 14 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.738 -0.062 19945 13253 1 14 . 1 1 45 45 GLU CB C 45 30.238 30.238 28.841 1.397 19945 13254 1 14 . 1 1 45 45 GLU H H 45 7.571 7.571 8.058 -0.487 19945 13255 1 14 . 1 1 46 46 ALA N N 46 118.860 118.860 121.615 -2.755 19945 13256 1 14 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.078 -0.040 19945 13257 1 14 . 1 1 46 46 ALA C C 46 176.901 176.901 177.918 -1.017 19945 13258 1 14 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.186 0.133 19945 13259 1 14 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.571 0.510 19945 13260 1 14 . 1 1 46 46 ALA H H 46 7.026 7.026 7.631 -0.605 19945 13261 1 14 . 1 1 47 47 TYR N N 47 115.674 115.674 116.632 -0.958 19945 13262 1 14 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.415 0.316 19945 13263 1 14 . 1 1 47 47 TYR C C 47 175.807 175.807 175.999 -0.192 19945 13264 1 14 . 1 1 47 47 TYR CA C 47 57.607 57.607 60.006 -2.399 19945 13265 1 14 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.446 2.216 19945 13266 1 14 . 1 1 47 47 TYR H H 47 7.277 7.277 7.457 -0.180 19945 13267 1 14 . 1 1 48 48 ASP N N 48 121.598 121.598 120.179 1.419 19945 13268 1 14 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.978 -0.070 19945 13269 1 14 . 1 1 48 48 ASP C C 48 175.030 175.030 175.192 -0.162 19945 13270 1 14 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.521 0.687 19945 13271 1 14 . 1 1 48 48 ASP CB C 48 41.646 41.646 43.062 -1.416 19945 13272 1 14 . 1 1 48 48 ASP H H 48 9.546 9.546 8.500 1.046 19945 13273 1 14 . 1 1 49 49 ILE N N 49 119.608 119.608 119.836 -0.228 19945 13274 1 14 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.096 0.198 19945 13275 1 14 . 1 1 49 49 ILE C C 49 175.059 175.059 174.387 0.672 19945 13276 1 14 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.274 0.256 19945 13277 1 14 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.856 -0.788 19945 13278 1 14 . 1 1 49 49 ILE H H 49 7.331 7.331 7.745 -0.414 19945 13279 1 14 . 1 1 50 50 LEU N N 50 127.901 127.901 126.609 1.292 19945 13280 1 14 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.316 0.344 19945 13281 1 14 . 1 1 50 50 LEU C C 50 174.598 174.598 175.152 -0.554 19945 13282 1 14 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.765 -0.946 19945 13283 1 14 . 1 1 50 50 LEU CB C 50 48.037 48.037 45.360 2.677 19945 13284 1 14 . 1 1 50 50 LEU H H 50 9.095 9.095 9.095 -0.000 19945 13285 1 14 . 1 1 51 51 LEU N N 51 123.440 123.440 125.238 -1.798 19945 13286 1 14 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.379 0.653 19945 13287 1 14 . 1 1 51 51 LEU C C 51 175.894 175.894 175.443 0.451 19945 13288 1 14 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.093 -0.781 19945 13289 1 14 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.762 0.556 19945 13290 1 14 . 1 1 51 51 LEU H H 51 9.275 9.275 9.394 -0.119 19945 13291 1 14 . 1 1 52 52 LEU N N 52 123.320 123.320 125.400 -2.080 19945 13292 1 14 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.358 0.298 19945 13293 1 14 . 1 1 52 52 LEU C C 52 173.763 173.763 176.105 -2.342 19945 13294 1 14 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.614 -0.737 19945 13295 1 14 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.251 -1.765 19945 13296 1 14 . 1 1 52 52 LEU H H 52 9.024 9.024 9.251 -0.227 19945 13297 1 14 . 1 1 53 53 GLY N N 53 110.739 110.739 111.983 -1.244 19945 13298 1 14 . 1 1 53 53 GLY C C 53 174.530 174.530 171.442 3.088 19945 13299 1 14 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.031 -0.042 19945 13300 1 14 . 1 1 53 53 GLY H H 53 9.283 9.283 9.277 0.006 19945 13301 1 14 . 1 1 54 54 ILE N N 54 126.032 126.032 123.886 2.146 19945 13302 1 14 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.134 1.072 19945 13303 1 14 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.784 -0.777 19945 13304 1 14 . 1 1 54 54 ILE CB C 54 42.990 42.990 42.045 0.945 19945 13305 1 14 . 1 1 54 54 ILE H H 54 9.136 9.136 8.676 0.460 19945 13306 1 14 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.663 0.654 19945 13307 1 14 . 1 1 55 55 PRO C C 55 174.771 174.771 176.097 -1.326 19945 13308 1 14 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.785 -0.037 19945 13309 1 14 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.043 -0.029 19945 13310 1 14 . 1 1 56 56 THR N N 56 113.710 113.710 117.797 -4.087 19945 13311 1 14 . 1 1 56 56 THR HA H 56 4.582 4.582 4.802 -0.220 19945 13312 1 14 . 1 1 56 56 THR C C 56 171.719 171.719 173.858 -2.139 19945 13313 1 14 . 1 1 56 56 THR CA C 56 62.383 62.383 63.122 -0.739 19945 13314 1 14 . 1 1 56 56 THR CB C 56 69.692 69.692 70.657 -0.965 19945 13315 1 14 . 1 1 56 56 THR H H 56 6.599 6.599 7.603 -1.004 19945 13316 1 14 . 1 1 57 57 TRP N N 57 130.050 130.050 124.985 5.065 19945 13317 1 14 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.533 -1.907 19945 13318 1 14 . 1 1 57 57 TRP C C 57 172.611 172.611 174.799 -2.188 19945 13319 1 14 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.355 -0.079 19945 13320 1 14 . 1 1 57 57 TRP CB C 57 34.754 34.754 33.276 1.478 19945 13321 1 14 . 1 1 57 57 TRP H H 57 8.865 8.865 8.875 -0.010 19945 13322 1 14 . 1 1 58 58 TYR N N 58 112.793 112.793 119.553 -6.760 19945 13323 1 14 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.875 0.341 19945 13324 1 14 . 1 1 58 58 TYR C C 58 173.619 173.619 174.862 -1.243 19945 13325 1 14 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.593 0.607 19945 13326 1 14 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.463 -0.263 19945 13327 1 14 . 1 1 58 58 TYR H H 58 5.730 5.730 8.080 -2.350 19945 13328 1 14 . 1 1 59 59 TYR N N 59 112.220 112.220 117.449 -5.229 19945 13329 1 14 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.538 -0.143 19945 13330 1 14 . 1 1 59 59 TYR C C 59 175.865 175.865 175.902 -0.037 19945 13331 1 14 . 1 1 59 59 TYR CA C 59 59.460 59.460 58.301 1.159 19945 13332 1 14 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.626 -2.016 19945 13333 1 14 . 1 1 59 59 TYR H H 59 7.661 7.661 7.794 -0.133 19945 13334 1 14 . 1 1 60 60 GLY N N 60 104.550 104.550 103.948 0.602 19945 13335 1 14 . 1 1 60 60 GLY C C 60 174.483 174.483 174.215 0.268 19945 13336 1 14 . 1 1 60 60 GLY CA C 60 46.178 46.178 44.875 1.303 19945 13337 1 14 . 1 1 60 60 GLY H H 60 8.142 8.142 8.093 0.049 19945 13338 1 14 . 1 1 61 61 GLU N N 61 120.991 120.991 120.501 0.490 19945 13339 1 14 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.423 0.015 19945 13340 1 14 . 1 1 61 61 GLU C C 61 175.548 175.548 175.905 -0.357 19945 13341 1 14 . 1 1 61 61 GLU CA C 61 55.476 55.476 56.033 -0.557 19945 13342 1 14 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.337 -0.838 19945 13343 1 14 . 1 1 61 61 GLU H H 61 8.307 8.307 8.170 0.137 19945 13344 1 14 . 1 1 62 62 ALA N N 62 122.750 122.750 124.372 -1.622 19945 13345 1 14 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.486 -0.280 19945 13346 1 14 . 1 1 62 62 ALA C C 62 176.671 176.671 177.407 -0.736 19945 13347 1 14 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.874 -0.064 19945 13348 1 14 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.172 1.034 19945 13349 1 14 . 1 1 62 62 ALA H H 62 8.722 8.722 8.604 0.118 19945 13350 1 14 . 1 1 63 63 GLN N N 63 120.579 120.579 118.210 2.369 19945 13351 1 14 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.155 -0.269 19945 13352 1 14 . 1 1 63 63 GLN C C 63 176.757 176.757 177.138 -0.381 19945 13353 1 14 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.978 1.631 19945 13354 1 14 . 1 1 63 63 GLN H H 63 6.302 6.302 8.651 -2.349 19945 13355 1 14 . 1 1 64 64 CYS N N 64 125.487 125.487 124.326 1.161 19945 13356 1 14 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.046 0.065 19945 13357 1 14 . 1 1 64 64 CYS C C 64 174.972 174.972 176.567 -1.595 19945 13358 1 14 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.007 -0.518 19945 13359 1 14 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.833 -0.251 19945 13360 1 14 . 1 1 64 64 CYS H H 64 9.091 9.091 8.820 0.271 19945 13361 1 14 . 1 1 65 65 ASP N N 65 120.298 120.298 120.656 -0.358 19945 13362 1 14 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.463 -0.064 19945 13363 1 14 . 1 1 65 65 ASP C C 65 179.000 179.000 178.554 0.446 19945 13364 1 14 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.348 0.784 19945 13365 1 14 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.500 0.723 19945 13366 1 14 . 1 1 65 65 ASP H H 65 7.093 7.093 8.443 -1.350 19945 13367 1 14 . 1 1 66 66 TRP N N 66 122.608 122.608 121.256 1.352 19945 13368 1 14 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.047 0.169 19945 13369 1 14 . 1 1 66 66 TRP C C 66 176.930 176.930 177.592 -0.662 19945 13370 1 14 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.688 0.835 19945 13371 1 14 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.397 0.564 19945 13372 1 14 . 1 1 66 66 TRP H H 66 7.394 7.394 8.621 -1.227 19945 13373 1 14 . 1 1 67 67 ASP N N 67 118.860 118.860 118.138 0.722 19945 13374 1 14 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.733 -0.208 19945 13375 1 14 . 1 1 67 67 ASP C C 67 179.579 179.579 177.624 1.955 19945 13376 1 14 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.100 0.241 19945 13377 1 14 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.724 1.676 19945 13378 1 14 . 1 1 67 67 ASP H H 67 8.087 8.087 8.024 0.063 19945 13379 1 14 . 1 1 68 68 ASP N N 68 116.220 116.220 118.811 -2.591 19945 13380 1 14 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.407 -0.051 19945 13381 1 14 . 1 1 68 68 ASP C C 68 176.873 176.873 177.472 -0.599 19945 13382 1 14 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.447 -0.192 19945 13383 1 14 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.164 -0.357 19945 13384 1 14 . 1 1 68 68 ASP H H 68 8.056 8.056 7.833 0.223 19945 13385 1 14 . 1 1 69 69 PHE N N 69 120.493 120.493 118.887 1.606 19945 13386 1 14 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.268 0.095 19945 13387 1 14 . 1 1 69 69 PHE C C 69 177.103 177.103 176.428 0.675 19945 13388 1 14 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.480 -0.550 19945 13389 1 14 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.440 2.090 19945 13390 1 14 . 1 1 69 69 PHE H H 69 7.659 7.659 7.571 0.088 19945 13391 1 14 . 1 1 70 70 PHE N N 70 122.293 122.293 119.730 2.563 19945 13392 1 14 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.220 0.798 19945 13393 1 14 . 1 1 70 70 PHE C C 70 174.396 174.396 174.633 -0.237 19945 13394 1 14 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.843 -2.720 19945 13395 1 14 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.418 -0.663 19945 13396 1 14 . 1 1 70 70 PHE H H 70 8.197 8.197 8.218 -0.021 19945 13397 1 14 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.543 -0.145 19945 13398 1 14 . 1 1 71 71 PRO C C 71 179.118 179.118 177.426 1.692 19945 13399 1 14 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.910 1.457 19945 13400 1 14 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.097 -0.167 19945 13401 1 14 . 1 1 72 72 THR N N 72 114.461 114.461 113.690 0.771 19945 13402 1 14 . 1 1 72 72 THR HA H 72 3.816 3.816 4.089 -0.273 19945 13403 1 14 . 1 1 72 72 THR C C 72 176.498 176.498 176.498 0.000 19945 13404 1 14 . 1 1 72 72 THR CA C 72 65.803 65.803 64.159 1.645 19945 13405 1 14 . 1 1 72 72 THR CB C 72 67.203 67.203 68.870 -1.667 19945 13406 1 14 . 1 1 72 72 THR H H 72 7.534 7.534 7.807 -0.273 19945 13407 1 14 . 1 1 73 73 LEU N N 73 124.812 124.812 123.884 0.928 19945 13408 1 14 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.003 0.087 19945 13409 1 14 . 1 1 73 73 LEU C C 73 177.996 177.996 178.009 -0.013 19945 13410 1 14 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.061 0.090 19945 13411 1 14 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.205 1.581 19945 13412 1 14 . 1 1 73 73 LEU H H 73 8.123 8.123 7.976 0.147 19945 13413 1 14 . 1 1 74 74 GLU N N 74 111.877 111.877 116.259 -4.382 19945 13414 1 14 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.150 -0.325 19945 13415 1 14 . 1 1 74 74 GLU C C 74 176.930 176.930 177.708 -0.778 19945 13416 1 14 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.496 -0.821 19945 13417 1 14 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.031 0.990 19945 13418 1 14 . 1 1 74 74 GLU H H 74 7.933 7.933 8.219 -0.286 19945 13419 1 14 . 1 1 75 75 GLU N N 75 116.571 116.571 118.051 -1.480 19945 13420 1 14 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.289 0.058 19945 13421 1 14 . 1 1 75 75 GLU C C 75 177.045 177.045 175.937 1.108 19945 13422 1 14 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.816 0.210 19945 13423 1 14 . 1 1 75 75 GLU CB C 75 30.509 30.509 29.777 0.732 19945 13424 1 14 . 1 1 75 75 GLU H H 75 7.659 7.659 7.785 -0.126 19945 13425 1 14 . 1 1 76 76 ILE N N 76 123.080 123.080 119.546 3.534 19945 13426 1 14 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.817 -0.040 19945 13427 1 14 . 1 1 76 76 ILE C C 76 174.656 174.656 174.610 0.046 19945 13428 1 14 . 1 1 76 76 ILE CA C 76 62.074 62.074 60.782 1.292 19945 13429 1 14 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.813 0.192 19945 13430 1 14 . 1 1 76 76 ILE H H 76 7.468 7.468 7.057 0.411 19945 13431 1 14 . 1 1 77 77 ASP N N 77 126.540 126.540 123.937 2.603 19945 13432 1 14 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.441 0.372 19945 13433 1 14 . 1 1 77 77 ASP C C 77 176.614 176.614 175.202 1.412 19945 13434 1 14 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.785 -0.644 19945 13435 1 14 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.016 -0.151 19945 13436 1 14 . 1 1 77 77 ASP H H 77 8.605 8.605 8.238 0.367 19945 13437 1 14 . 1 1 78 78 PHE N N 78 124.583 124.583 123.556 1.027 19945 13438 1 14 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.670 -0.510 19945 13439 1 14 . 1 1 78 78 PHE C C 78 175.347 175.347 175.558 -0.211 19945 13440 1 14 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.126 3.016 19945 13441 1 14 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.302 0.866 19945 13442 1 14 . 1 1 78 78 PHE H H 78 8.053 8.053 7.687 0.366 19945 13443 1 14 . 1 1 79 79 ASN N N 79 121.321 121.321 120.382 0.939 19945 13444 1 14 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.512 0.005 19945 13445 1 14 . 1 1 79 79 ASN C C 79 176.815 176.815 176.677 0.138 19945 13446 1 14 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.260 1.192 19945 13447 1 14 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.166 0.573 19945 13448 1 14 . 1 1 79 79 ASN H H 79 8.695 8.695 8.451 0.244 19945 13449 1 14 . 1 1 80 80 GLY N N 80 114.150 114.150 113.463 0.687 19945 13450 1 14 . 1 1 80 80 GLY C C 80 174.195 174.195 174.690 -0.495 19945 13451 1 14 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.612 0.034 19945 13452 1 14 . 1 1 80 80 GLY H H 80 8.646 8.646 8.920 -0.274 19945 13453 1 14 . 1 1 81 81 LYS N N 81 119.318 119.318 121.828 -2.510 19945 13454 1 14 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.389 0.648 19945 13455 1 14 . 1 1 81 81 LYS C C 81 176.268 176.268 176.273 -0.005 19945 13456 1 14 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.894 -0.898 19945 13457 1 14 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.600 0.355 19945 13458 1 14 . 1 1 81 81 LYS H H 81 8.295 8.295 7.918 0.377 19945 13459 1 14 . 1 1 82 82 LEU N N 82 127.000 127.000 124.293 2.707 19945 13460 1 14 . 1 1 82 82 LEU HA H 82 5.230 5.230 4.931 0.299 19945 13461 1 14 . 1 1 82 82 LEU C C 82 175.347 175.347 175.969 -0.622 19945 13462 1 14 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.659 -0.855 19945 13463 1 14 . 1 1 82 82 LEU CB C 82 44.151 44.151 42.922 1.229 19945 13464 1 14 . 1 1 82 82 LEU H H 82 8.407 8.407 8.778 -0.371 19945 13465 1 14 . 1 1 83 83 VAL N N 83 121.665 121.665 122.326 -0.661 19945 13466 1 14 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.259 0.581 19945 13467 1 14 . 1 1 83 83 VAL C C 83 173.417 173.417 174.154 -0.737 19945 13468 1 14 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.248 -1.046 19945 13469 1 14 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.285 1.063 19945 13470 1 14 . 1 1 83 83 VAL H H 83 8.960 8.960 9.063 -0.103 19945 13471 1 14 . 1 1 84 84 ALA N N 84 128.017 128.017 128.695 -0.678 19945 13472 1 14 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.606 -0.273 19945 13473 1 14 . 1 1 84 84 ALA C C 84 175.231 175.231 175.712 -0.481 19945 13474 1 14 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.924 0.504 19945 13475 1 14 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.281 0.847 19945 13476 1 14 . 1 1 84 84 ALA H H 84 9.021 9.021 9.207 -0.186 19945 13477 1 14 . 1 1 85 85 LEU N N 85 124.220 124.220 121.401 2.819 19945 13478 1 14 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.667 -0.055 19945 13479 1 14 . 1 1 85 85 LEU C C 85 174.454 174.454 175.837 -1.383 19945 13480 1 14 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.065 -0.091 19945 13481 1 14 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.058 0.854 19945 13482 1 14 . 1 1 85 85 LEU H H 85 11.134 11.134 8.985 2.149 19945 13483 1 14 . 1 1 86 86 PHE N N 86 114.461 114.461 116.498 -2.037 19945 13484 1 14 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.247 -0.025 19945 13485 1 14 . 1 1 86 86 PHE C C 86 173.619 173.619 173.797 -0.178 19945 13486 1 14 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.181 -0.503 19945 13487 1 14 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.824 1.156 19945 13488 1 14 . 1 1 86 86 PHE H H 86 8.829 8.829 8.619 0.210 19945 13489 1 14 . 1 1 87 87 GLY N N 87 104.437 104.437 105.839 -1.402 19945 13490 1 14 . 1 1 87 87 GLY C C 87 170.423 170.423 171.940 -1.517 19945 13491 1 14 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.206 0.724 19945 13492 1 14 . 1 1 87 87 GLY H H 87 8.496 8.496 8.405 0.091 19945 13493 1 14 . 1 1 88 88 CYS N N 88 114.166 114.166 116.549 -2.383 19945 13494 1 14 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.714 0.289 19945 13495 1 14 . 1 1 88 88 CYS C C 88 174.425 174.425 173.926 0.499 19945 13496 1 14 . 1 1 88 88 CYS CA C 88 56.538 56.538 55.374 1.163 19945 13497 1 14 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.784 -0.483 19945 13498 1 14 . 1 1 88 88 CYS H H 88 5.354 5.354 8.352 -2.998 19945 13499 1 14 . 1 1 89 89 GLY N N 89 109.463 109.463 107.307 2.156 19945 13500 1 14 . 1 1 89 89 GLY C C 89 173.187 173.187 171.350 1.837 19945 13501 1 14 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.003 1.440 19945 13502 1 14 . 1 1 89 89 GLY H H 89 8.404 8.404 8.211 0.193 19945 13503 1 14 . 1 1 90 90 ASP N N 90 123.090 123.090 117.587 5.503 19945 13504 1 14 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.780 1.019 19945 13505 1 14 . 1 1 90 90 ASP C C 90 176.095 176.095 175.005 1.090 19945 13506 1 14 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.055 -0.502 19945 13507 1 14 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.921 -0.666 19945 13508 1 14 . 1 1 90 90 ASP H H 90 8.698 8.698 8.406 0.292 19945 13509 1 14 . 1 1 91 91 GLN N N 91 123.780 123.780 120.643 3.137 19945 13510 1 14 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.587 -0.891 19945 13511 1 14 . 1 1 91 91 GLN C C 91 173.639 173.639 176.019 -2.380 19945 13512 1 14 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.563 1.497 19945 13513 1 14 . 1 1 91 91 GLN CB C 91 29.441 29.441 30.186 -0.745 19945 13514 1 14 . 1 1 91 91 GLN H H 91 9.675 9.675 8.171 1.504 19945 13515 1 14 . 1 1 92 92 GLU N N 92 118.631 118.631 121.779 -3.148 19945 13516 1 14 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.107 0.484 19945 13517 1 14 . 1 1 92 92 GLU C C 92 177.247 177.247 176.789 0.458 19945 13518 1 14 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.799 -1.463 19945 13519 1 14 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.021 0.749 19945 13520 1 14 . 1 1 92 92 GLU H H 92 8.396 8.396 8.410 -0.014 19945 13521 1 14 . 1 1 93 93 ASP N N 93 120.889 120.889 116.523 4.366 19945 13522 1 14 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.613 -0.331 19945 13523 1 14 . 1 1 93 93 ASP C C 93 175.986 175.986 177.007 -1.021 19945 13524 1 14 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.005 0.420 19945 13525 1 14 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.446 -2.196 19945 13526 1 14 . 1 1 93 93 ASP H H 93 7.779 7.779 8.335 -0.556 19945 13527 1 14 . 1 1 94 94 TYR N N 94 117.028 117.028 119.789 -2.761 19945 13528 1 14 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.785 -0.100 19945 13529 1 14 . 1 1 94 94 TYR C C 94 175.519 175.519 176.811 -1.292 19945 13530 1 14 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.167 -0.788 19945 13531 1 14 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.017 -0.176 19945 13532 1 14 . 1 1 94 94 TYR H H 94 6.693 6.693 8.707 -2.014 19945 13533 1 14 . 1 1 95 95 ALA N N 95 121.950 121.950 123.316 -1.366 19945 13534 1 14 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.149 0.007 19945 13535 1 14 . 1 1 95 95 ALA C C 95 179.723 179.723 178.907 0.816 19945 13536 1 14 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.795 1.128 19945 13537 1 14 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.818 1.737 19945 13538 1 14 . 1 1 95 95 ALA H H 95 6.962 6.962 7.492 -0.530 19945 13539 1 14 . 1 1 96 96 GLU N N 96 115.884 115.884 115.460 0.424 19945 13540 1 14 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.226 0.080 19945 13541 1 14 . 1 1 96 96 GLU C C 96 174.684 174.684 175.836 -1.152 19945 13542 1 14 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.199 -0.214 19945 13543 1 14 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.368 -0.192 19945 13544 1 14 . 1 1 96 96 GLU H H 96 9.327 9.327 8.673 0.654 19945 13545 1 14 . 1 1 97 97 TYR N N 97 121.836 121.836 114.196 7.640 19945 13546 1 14 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.789 0.620 19945 13547 1 14 . 1 1 97 97 TYR C C 97 179.953 179.953 175.173 4.780 19945 13548 1 14 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.291 0.151 19945 13549 1 14 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.030 2.262 19945 13550 1 14 . 1 1 97 97 TYR H H 97 8.175 8.175 7.739 0.436 19945 13551 1 14 . 1 1 98 98 PHE N N 98 124.580 124.580 124.551 0.029 19945 13552 1 14 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.633 0.504 19945 13553 1 14 . 1 1 98 98 PHE C C 98 174.742 174.742 175.922 -1.180 19945 13554 1 14 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.421 0.242 19945 13555 1 14 . 1 1 98 98 PHE CB C 98 38.655 38.655 38.575 0.080 19945 13556 1 14 . 1 1 98 98 PHE H H 98 7.889 7.889 8.115 -0.226 19945 13557 1 14 . 1 1 99 99 CYS N N 99 120.329 120.329 124.760 -4.431 19945 13558 1 14 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.739 -0.087 19945 13559 1 14 . 1 1 99 99 CYS C C 99 175.087 175.087 175.427 -0.340 19945 13560 1 14 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.160 2.716 19945 13561 1 14 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.060 -1.060 19945 13562 1 14 . 1 1 99 99 CYS H H 99 8.617 8.617 8.967 -0.350 19945 13563 1 14 . 1 1 100 100 ASP N N 100 116.705 116.705 121.900 -5.195 19945 13564 1 14 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.310 -0.365 19945 13565 1 14 . 1 1 100 100 ASP C C 100 178.888 178.888 177.038 1.850 19945 13566 1 14 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.552 0.576 19945 13567 1 14 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.160 0.790 19945 13568 1 14 . 1 1 100 100 ASP H H 100 7.104 7.104 8.141 -1.037 19945 13569 1 14 . 1 1 101 101 ALA N N 101 118.631 118.631 121.094 -2.463 19945 13570 1 14 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.280 -0.129 19945 13571 1 14 . 1 1 101 101 ALA C C 101 178.600 178.600 179.482 -0.882 19945 13572 1 14 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.093 0.304 19945 13573 1 14 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.636 0.174 19945 13574 1 14 . 1 1 101 101 ALA H H 101 8.716 8.716 7.625 1.091 19945 13575 1 14 . 1 1 102 102 LEU N N 102 115.083 115.083 119.244 -4.161 19945 13576 1 14 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.920 -0.306 19945 13577 1 14 . 1 1 102 102 LEU C C 102 179.573 179.573 179.008 0.565 19945 13578 1 14 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.432 0.412 19945 13579 1 14 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.497 1.217 19945 13580 1 14 . 1 1 102 102 LEU H H 102 7.171 7.171 7.672 -0.501 19945 13581 1 14 . 1 1 103 103 GLY N N 103 104.501 104.501 105.483 -0.982 19945 13582 1 14 . 1 1 103 103 GLY C C 103 175.145 175.145 175.445 -0.300 19945 13583 1 14 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.511 -0.803 19945 13584 1 14 . 1 1 103 103 GLY H H 103 7.365 7.365 8.493 -1.128 19945 13585 1 14 . 1 1 104 104 THR N N 104 118.860 118.860 118.686 0.174 19945 13586 1 14 . 1 1 104 104 THR HA H 104 3.737 3.737 3.901 -0.164 19945 13587 1 14 . 1 1 104 104 THR C C 104 176.354 176.354 176.261 0.093 19945 13588 1 14 . 1 1 104 104 THR CA C 104 65.799 65.799 66.951 -1.152 19945 13589 1 14 . 1 1 104 104 THR CB C 104 67.961 67.961 68.428 -0.467 19945 13590 1 14 . 1 1 104 104 THR H H 104 7.343 7.343 7.416 -0.073 19945 13591 1 14 . 1 1 105 105 ILE N N 105 118.663 118.663 121.307 -2.644 19945 13592 1 14 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.566 -0.062 19945 13593 1 14 . 1 1 105 105 ILE C C 105 177.391 177.391 177.254 0.137 19945 13594 1 14 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.604 0.946 19945 13595 1 14 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.466 0.284 19945 13596 1 14 . 1 1 105 105 ILE H H 105 7.589 7.589 7.443 0.146 19945 13597 1 14 . 1 1 106 106 ARG N N 106 126.041 126.041 120.841 5.200 19945 13598 1 14 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.838 -0.258 19945 13599 1 14 . 1 1 106 106 ARG C C 106 176.614 176.614 178.067 -1.453 19945 13600 1 14 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.271 -0.004 19945 13601 1 14 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.037 -2.721 19945 13602 1 14 . 1 1 106 106 ARG H H 106 7.307 7.307 8.274 -0.967 19945 13603 1 14 . 1 1 107 107 ASP N N 107 117.480 117.480 117.546 -0.066 19945 13604 1 14 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.442 -0.094 19945 13605 1 14 . 1 1 107 107 ASP C C 107 177.189 177.189 177.237 -0.048 19945 13606 1 14 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.794 -0.294 19945 13607 1 14 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.717 -1.043 19945 13608 1 14 . 1 1 107 107 ASP H H 107 8.202 8.202 8.181 0.021 19945 13609 1 14 . 1 1 108 108 ILE N N 108 117.715 117.715 117.244 0.471 19945 13610 1 14 . 1 1 108 108 ILE HA H 108 3.856 3.856 4.012 -0.156 19945 13611 1 14 . 1 1 108 108 ILE C C 108 178.427 178.427 177.795 0.632 19945 13612 1 14 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.474 0.503 19945 13613 1 14 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.263 0.188 19945 13614 1 14 . 1 1 108 108 ILE H H 108 7.107 7.107 7.402 -0.295 19945 13615 1 14 . 1 1 109 109 ILE N N 109 111.534 111.534 117.996 -6.462 19945 13616 1 14 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.921 -0.186 19945 13617 1 14 . 1 1 109 109 ILE C C 109 177.305 177.305 177.356 -0.051 19945 13618 1 14 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.863 -0.258 19945 13619 1 14 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.788 -0.377 19945 13620 1 14 . 1 1 109 109 ILE H H 109 7.501 7.501 8.379 -0.878 19945 13621 1 14 . 1 1 110 110 GLU N N 110 127.123 127.123 122.639 4.484 19945 13622 1 14 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.375 -0.077 19945 13623 1 14 . 1 1 110 110 GLU C C 110 177.391 177.391 177.075 0.316 19945 13624 1 14 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.220 2.111 19945 13625 1 14 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.374 -0.526 19945 13626 1 14 . 1 1 110 110 GLU H H 110 8.867 8.867 8.457 0.410 19945 13627 1 14 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.336 0.280 19945 13628 1 14 . 1 1 111 111 PRO C C 111 177.417 177.417 178.059 -0.642 19945 13629 1 14 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.909 0.326 19945 13630 1 14 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.605 -0.570 19945 13631 1 14 . 1 1 112 112 ARG N N 112 114.612 114.612 116.132 -1.520 19945 13632 1 14 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.460 0.108 19945 13633 1 14 . 1 1 112 112 ARG C C 112 175.792 175.792 176.708 -0.916 19945 13634 1 14 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.240 0.501 19945 13635 1 14 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.591 0.913 19945 13636 1 14 . 1 1 112 112 ARG H H 112 6.542 6.542 7.800 -1.258 19945 13637 1 14 . 1 1 113 113 GLY N N 113 106.474 106.474 105.807 0.667 19945 13638 1 14 . 1 1 113 113 GLY C C 113 174.347 174.347 174.172 0.175 19945 13639 1 14 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.170 0.469 19945 13640 1 14 . 1 1 113 113 GLY H H 113 7.845 7.845 7.971 -0.126 19945 13641 1 14 . 1 1 114 114 ALA N N 114 122.280 122.280 123.799 -1.519 19945 13642 1 14 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.907 -0.628 19945 13643 1 14 . 1 1 114 114 ALA C C 114 176.785 176.785 177.619 -0.834 19945 13644 1 14 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.353 1.038 19945 13645 1 14 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.564 0.048 19945 13646 1 14 . 1 1 114 114 ALA H H 114 7.535 7.535 7.993 -0.458 19945 13647 1 14 . 1 1 115 115 THR N N 115 120.909 120.909 119.983 0.926 19945 13648 1 14 . 1 1 115 115 THR HA H 115 4.478 4.478 4.502 -0.024 19945 13649 1 14 . 1 1 115 115 THR C C 115 172.963 172.963 173.685 -0.722 19945 13650 1 14 . 1 1 115 115 THR CA C 115 62.825 62.825 62.699 0.126 19945 13651 1 14 . 1 1 115 115 THR CB C 115 69.501 69.501 68.977 0.524 19945 13652 1 14 . 1 1 115 115 THR H H 115 7.902 7.902 8.865 -0.963 19945 13653 1 14 . 1 1 116 116 ILE N N 116 129.162 129.162 129.367 -0.205 19945 13654 1 14 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.034 0.263 19945 13655 1 14 . 1 1 116 116 ILE C C 116 177.056 177.056 175.936 1.120 19945 13656 1 14 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.776 -0.253 19945 13657 1 14 . 1 1 116 116 ILE CB C 116 38.300 38.300 38.750 -0.450 19945 13658 1 14 . 1 1 116 116 ILE H H 116 8.784 8.784 8.905 -0.121 19945 13659 1 14 . 1 1 117 117 VAL N N 117 122.981 122.981 120.711 2.270 19945 13660 1 14 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.760 -0.166 19945 13661 1 14 . 1 1 117 117 VAL C C 117 175.190 175.190 176.023 -0.833 19945 13662 1 14 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.246 -0.317 19945 13663 1 14 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.676 -2.312 19945 13664 1 14 . 1 1 117 117 VAL H H 117 8.812 8.812 8.793 0.019 19945 13665 1 14 . 1 1 118 118 GLY N N 118 108.558 108.558 108.195 0.363 19945 13666 1 14 . 1 1 118 118 GLY C C 118 175.792 175.792 175.139 0.653 19945 13667 1 14 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.570 2.176 19945 13668 1 14 . 1 1 118 118 GLY H H 118 9.297 9.297 9.252 0.045 19945 13669 1 14 . 1 1 119 119 HIS N N 119 118.402 118.402 119.933 -1.531 19945 13670 1 14 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.781 -0.009 19945 13671 1 14 . 1 1 119 119 HIS C C 119 175.866 175.866 175.384 0.482 19945 13672 1 14 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.624 -2.022 19945 13673 1 14 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.883 -1.027 19945 13674 1 14 . 1 1 119 119 HIS H H 119 8.901 8.901 8.078 0.823 19945 13675 1 14 . 1 1 120 120 TRP N N 120 124.300 124.300 126.532 -2.232 19945 13676 1 14 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.380 0.912 19945 13677 1 14 . 1 1 120 120 TRP C C 120 173.113 173.113 173.978 -0.865 19945 13678 1 14 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.046 -0.542 19945 13679 1 14 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.549 2.737 19945 13680 1 14 . 1 1 120 120 TRP H H 120 8.455 8.455 9.183 -0.728 19945 13681 1 14 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.868 0.729 19945 13682 1 14 . 1 1 121 121 PRO C C 121 176.243 176.243 176.722 -0.479 19945 13683 1 14 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.403 1.047 19945 13684 1 14 . 1 1 121 121 PRO CB C 121 32.097 32.097 31.922 0.175 19945 13685 1 14 . 1 1 122 122 THR N N 122 110.568 110.568 113.363 -2.795 19945 13686 1 14 . 1 1 122 122 THR HA H 122 4.232 4.232 4.183 0.049 19945 13687 1 14 . 1 1 122 122 THR C C 122 176.424 176.424 175.695 0.729 19945 13688 1 14 . 1 1 122 122 THR CA C 122 62.079 62.079 62.527 -0.448 19945 13689 1 14 . 1 1 122 122 THR CB C 122 68.758 68.758 69.089 -0.331 19945 13690 1 14 . 1 1 122 122 THR H H 122 7.560 7.560 8.138 -0.578 19945 13691 1 14 . 1 1 123 123 ALA N N 123 126.038 126.038 122.873 3.165 19945 13692 1 14 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.889 0.380 19945 13693 1 14 . 1 1 123 123 ALA C C 123 178.862 178.862 177.399 1.463 19945 13694 1 14 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.558 1.324 19945 13695 1 14 . 1 1 123 123 ALA CB C 123 18.284 18.284 16.825 1.460 19945 13696 1 14 . 1 1 123 123 ALA H H 123 7.144 7.144 7.974 -0.830 19945 13697 1 14 . 1 1 124 124 GLY N N 124 111.468 111.468 104.939 6.529 19945 13698 1 14 . 1 1 124 124 GLY C C 124 173.775 173.775 173.927 -0.152 19945 13699 1 14 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.567 0.814 19945 13700 1 14 . 1 1 124 124 GLY H H 124 9.058 9.058 8.126 0.932 19945 13701 1 14 . 1 1 125 125 TYR N N 125 119.088 119.088 123.058 -3.970 19945 13702 1 14 . 1 1 125 125 TYR HA H 125 4.942 4.942 3.897 1.045 19945 13703 1 14 . 1 1 125 125 TYR C C 125 175.581 175.581 175.683 -0.102 19945 13704 1 14 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.661 -2.900 19945 13705 1 14 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.093 1.458 19945 13706 1 14 . 1 1 125 125 TYR H H 125 8.008 8.008 7.643 0.365 19945 13707 1 14 . 1 1 126 126 HIS N N 126 121.799 121.799 125.524 -3.725 19945 13708 1 14 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.409 0.604 19945 13709 1 14 . 1 1 126 126 HIS C C 126 171.969 171.969 172.915 -0.946 19945 13710 1 14 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.843 -0.696 19945 13711 1 14 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.353 -0.966 19945 13712 1 14 . 1 1 126 126 HIS H H 126 9.512 9.512 7.249 2.263 19945 13713 1 14 . 1 1 127 127 PHE N N 127 117.258 117.258 116.395 0.863 19945 13714 1 14 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.480 0.443 19945 13715 1 14 . 1 1 127 127 PHE C C 127 172.722 172.722 175.971 -3.249 19945 13716 1 14 . 1 1 127 127 PHE CA C 127 55.300 55.300 55.130 0.170 19945 13717 1 14 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.744 -0.990 19945 13718 1 14 . 1 1 127 127 PHE H H 127 7.397 7.397 6.449 0.948 19945 13719 1 14 . 1 1 128 128 GLU N N 128 120.484 120.484 119.702 0.782 19945 13720 1 14 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.361 0.002 19945 13721 1 14 . 1 1 128 128 GLU C C 128 176.033 176.033 176.219 -0.186 19945 13722 1 14 . 1 1 128 128 GLU CA C 128 57.068 57.068 57.680 -0.612 19945 13723 1 14 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.976 0.856 19945 13724 1 14 . 1 1 128 128 GLU H H 128 8.492 8.492 8.892 -0.400 19945 13725 1 14 . 1 1 129 129 ALA N N 129 123.500 123.500 120.205 3.295 19945 13726 1 14 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.751 -0.053 19945 13727 1 14 . 1 1 129 129 ALA C C 129 174.016 174.016 175.004 -0.988 19945 13728 1 14 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.199 0.255 19945 13729 1 14 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.560 0.443 19945 13730 1 14 . 1 1 129 129 ALA H H 129 9.155 9.155 8.067 1.088 19945 13731 1 14 . 1 1 130 130 SER N N 130 110.807 110.807 116.742 -5.935 19945 13732 1 14 . 1 1 130 130 SER HA H 130 4.942 4.942 5.074 -0.132 19945 13733 1 14 . 1 1 130 130 SER C C 130 176.665 176.665 174.849 1.816 19945 13734 1 14 . 1 1 130 130 SER CA C 130 57.471 57.471 57.953 -0.482 19945 13735 1 14 . 1 1 130 130 SER CB C 130 67.205 67.205 65.926 1.279 19945 13736 1 14 . 1 1 130 130 SER H H 130 8.101 8.101 8.483 -0.382 19945 13737 1 14 . 1 1 131 131 LYS N N 131 129.963 129.963 126.364 3.599 19945 13738 1 14 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.296 0.153 19945 13739 1 14 . 1 1 131 131 LYS C C 131 176.533 176.533 178.110 -1.577 19945 13740 1 14 . 1 1 131 131 LYS CA C 131 56.900 56.900 57.504 -0.604 19945 13741 1 14 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.136 0.493 19945 13742 1 14 . 1 1 131 131 LYS H H 131 9.690 9.690 8.787 0.903 19945 13743 1 14 . 1 1 132 132 GLY N N 132 107.870 107.870 106.830 1.040 19945 13744 1 14 . 1 1 132 132 GLY C C 132 173.354 173.354 173.840 -0.486 19945 13745 1 14 . 1 1 132 132 GLY CA C 132 45.646 45.646 44.913 0.733 19945 13746 1 14 . 1 1 132 132 GLY H H 132 9.187 9.187 8.223 0.964 19945 13747 1 14 . 1 1 133 133 LEU N N 133 119.088 119.088 121.833 -2.745 19945 13748 1 14 . 1 1 133 133 LEU HA H 133 4.643 4.643 3.987 0.656 19945 13749 1 14 . 1 1 133 133 LEU C C 133 177.748 177.748 176.392 1.356 19945 13750 1 14 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.599 -0.123 19945 13751 1 14 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.856 -1.352 19945 13752 1 14 . 1 1 133 133 LEU H H 133 7.098 7.098 7.490 -0.392 19945 13753 1 14 . 1 1 134 134 ALA N N 134 125.720 125.720 126.882 -1.162 19945 13754 1 14 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.386 -0.149 19945 13755 1 14 . 1 1 134 134 ALA C C 134 176.695 176.695 177.241 -0.546 19945 13756 1 14 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.901 -0.613 19945 13757 1 14 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.347 -0.735 19945 13758 1 14 . 1 1 134 134 ALA H H 134 9.154 9.154 8.921 0.233 19945 13759 1 14 . 1 1 135 135 ASP N N 135 114.952 114.952 116.080 -1.128 19945 13760 1 14 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.747 -0.218 19945 13761 1 14 . 1 1 135 135 ASP C C 135 175.130 175.130 175.476 -0.346 19945 13762 1 14 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.259 -0.299 19945 13763 1 14 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.693 -3.165 19945 13764 1 14 . 1 1 135 135 ASP H H 135 8.299 8.299 7.823 0.476 19945 13765 1 14 . 1 1 136 136 ASP N N 136 114.870 114.870 121.925 -7.055 19945 13766 1 14 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.177 0.158 19945 13767 1 14 . 1 1 136 136 ASP C C 136 176.303 176.303 176.993 -0.690 19945 13768 1 14 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.870 0.974 19945 13769 1 14 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.028 -0.164 19945 13770 1 14 . 1 1 136 136 ASP H H 136 8.433 8.433 8.622 -0.189 19945 13771 1 14 . 1 1 137 137 ASP N N 137 113.709 113.709 117.984 -4.275 19945 13772 1 14 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.628 0.203 19945 13773 1 14 . 1 1 137 137 ASP C C 137 176.514 176.514 175.185 1.329 19945 13774 1 14 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.147 -0.830 19945 13775 1 14 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.277 0.181 19945 13776 1 14 . 1 1 137 137 ASP H H 137 8.232 8.232 8.323 -0.091 19945 13777 1 14 . 1 1 138 138 HIS N N 138 117.829 117.829 117.278 0.551 19945 13778 1 14 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.047 0.235 19945 13779 1 14 . 1 1 138 138 HIS C C 138 175.130 175.130 173.831 1.299 19945 13780 1 14 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.528 1.071 19945 13781 1 14 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.673 -0.673 19945 13782 1 14 . 1 1 138 138 HIS H H 138 7.764 7.764 7.645 0.119 19945 13783 1 14 . 1 1 139 139 PHE N N 139 123.553 123.553 122.603 0.950 19945 13784 1 14 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.829 0.190 19945 13785 1 14 . 1 1 139 139 PHE C C 139 177.477 177.477 177.389 0.088 19945 13786 1 14 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.821 -0.262 19945 13787 1 14 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.896 2.976 19945 13788 1 14 . 1 1 139 139 PHE H H 139 9.955 9.955 9.631 0.324 19945 13789 1 14 . 1 1 140 140 VAL N N 140 119.420 119.420 120.859 -1.439 19945 13790 1 14 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.203 -0.525 19945 13791 1 14 . 1 1 140 140 VAL C C 140 173.023 173.023 175.702 -2.679 19945 13792 1 14 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.520 -2.403 19945 13793 1 14 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.306 0.230 19945 13794 1 14 . 1 1 140 140 VAL H H 140 9.178 9.178 8.944 0.234 19945 13795 1 14 . 1 1 141 141 GLY N N 141 105.680 105.680 103.753 1.927 19945 13796 1 14 . 1 1 141 141 GLY C C 141 171.284 171.284 173.193 -1.909 19945 13797 1 14 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.942 0.779 19945 13798 1 14 . 1 1 141 141 GLY H H 141 6.837 6.837 7.551 -0.714 19945 13799 1 14 . 1 1 142 142 LEU N N 142 118.516 118.516 121.113 -2.597 19945 13800 1 14 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.553 -0.506 19945 13801 1 14 . 1 1 142 142 LEU C C 142 173.725 173.725 174.651 -0.926 19945 13802 1 14 . 1 1 142 142 LEU CA C 142 55.704 55.704 55.564 0.140 19945 13803 1 14 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.380 -2.641 19945 13804 1 14 . 1 1 142 142 LEU H H 142 7.423 7.423 7.866 -0.443 19945 13805 1 14 . 1 1 143 143 ALA N N 143 128.382 128.382 129.671 -1.289 19945 13806 1 14 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.682 -0.208 19945 13807 1 14 . 1 1 143 143 ALA C C 143 175.685 175.685 175.665 0.020 19945 13808 1 14 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.338 -0.707 19945 13809 1 14 . 1 1 143 143 ALA CB C 143 19.847 19.847 20.456 -0.609 19945 13810 1 14 . 1 1 143 143 ALA H H 143 5.414 5.414 7.781 -2.367 19945 13811 1 14 . 1 1 144 144 ILE N N 144 126.754 126.754 119.231 7.523 19945 13812 1 14 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.966 -0.651 19945 13813 1 14 . 1 1 144 144 ILE C C 144 173.725 173.725 173.871 -0.146 19945 13814 1 14 . 1 1 144 144 ILE CA C 144 56.721 56.721 59.783 -3.062 19945 13815 1 14 . 1 1 144 144 ILE CB C 144 37.630 37.630 40.225 -2.595 19945 13816 1 14 . 1 1 144 144 ILE H H 144 8.849 8.849 8.373 0.476 19945 13817 1 14 . 1 1 145 145 ASP N N 145 125.518 125.518 125.449 0.069 19945 13818 1 14 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.647 1.149 19945 13819 1 14 . 1 1 145 145 ASP C C 145 176.830 176.830 174.423 2.407 19945 13820 1 14 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.715 -1.163 19945 13821 1 14 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.787 -0.285 19945 13822 1 14 . 1 1 145 145 ASP H H 145 8.088 8.088 8.625 -0.537 19945 13823 1 14 . 1 1 146 146 GLU N N 146 125.475 125.475 120.382 5.093 19945 13824 1 14 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.447 0.216 19945 13825 1 14 . 1 1 146 146 GLU C C 146 177.132 177.132 175.502 1.630 19945 13826 1 14 . 1 1 146 146 GLU CA C 146 56.273 56.273 57.118 -0.845 19945 13827 1 14 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.097 0.153 19945 13828 1 14 . 1 1 146 146 GLU H H 146 8.390 8.390 8.387 0.003 19945 13829 1 14 . 1 1 147 147 ASP N N 147 120.137 120.137 117.382 2.755 19945 13830 1 14 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.470 0.097 19945 13831 1 14 . 1 1 147 147 ASP C C 147 178.126 178.126 173.908 4.218 19945 13832 1 14 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.560 2.441 19945 13833 1 14 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.412 0.838 19945 13834 1 14 . 1 1 147 147 ASP H H 147 8.599 8.599 8.323 0.276 19945 13835 1 14 . 1 1 148 148 ARG N N 148 115.655 115.655 120.761 -5.106 19945 13836 1 14 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.690 0.008 19945 13837 1 14 . 1 1 148 148 ARG C C 148 177.704 177.704 174.365 3.339 19945 13838 1 14 . 1 1 148 148 ARG CA C 148 52.960 52.960 55.441 -2.481 19945 13839 1 14 . 1 1 148 148 ARG CB C 148 30.814 30.814 30.868 -0.054 19945 13840 1 14 . 1 1 148 148 ARG H H 148 9.762 9.762 7.962 1.800 19945 13841 1 14 . 1 1 149 149 GLN N N 149 116.313 116.313 119.981 -3.668 19945 13842 1 14 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.072 1.227 19945 13843 1 14 . 1 1 149 149 GLN C C 149 175.142 175.142 173.436 1.706 19945 13844 1 14 . 1 1 149 149 GLN CA C 149 53.401 53.401 55.803 -2.402 19945 13845 1 14 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.497 3.344 19945 13846 1 14 . 1 1 149 149 GLN H H 149 7.622 7.622 8.201 -0.579 19945 13847 1 14 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.418 0.263 19945 13848 1 14 . 1 1 150 150 PRO C C 150 179.483 179.483 175.398 4.085 19945 13849 1 14 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.593 2.733 19945 13850 1 14 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.069 -1.417 19945 13851 1 14 . 1 1 151 151 GLU N N 151 122.981 122.981 119.194 3.787 19945 13852 1 14 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.461 -0.060 19945 13853 1 14 . 1 1 151 151 GLU C C 151 177.041 177.041 176.239 0.802 19945 13854 1 14 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.053 3.345 19945 13855 1 14 . 1 1 151 151 GLU CB C 151 27.582 27.582 32.530 -4.948 19945 13856 1 14 . 1 1 151 151 GLU H H 151 10.520 10.520 8.125 2.395 19945 13857 1 14 . 1 1 152 152 LEU N N 152 120.119 120.119 117.504 2.615 19945 13858 1 14 . 1 1 152 152 LEU HA H 152 4.691 4.691 3.980 0.711 19945 13859 1 14 . 1 1 152 152 LEU C C 152 177.222 177.222 176.755 0.467 19945 13860 1 14 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.505 -1.196 19945 13861 1 14 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.237 1.698 19945 13862 1 14 . 1 1 152 152 LEU H H 152 7.589 7.589 8.834 -1.245 19945 13863 1 14 . 1 1 153 153 THR N N 153 119.637 119.637 115.569 4.068 19945 13864 1 14 . 1 1 153 153 THR HA H 153 3.592 3.592 4.002 -0.410 19945 13865 1 14 . 1 1 153 153 THR C C 153 174.178 174.178 176.074 -1.896 19945 13866 1 14 . 1 1 153 153 THR CA C 153 67.960 67.960 66.426 1.534 19945 13867 1 14 . 1 1 153 153 THR CB C 153 69.023 69.023 68.486 0.537 19945 13868 1 14 . 1 1 153 153 THR H H 153 7.469 7.469 8.313 -0.844 19945 13869 1 14 . 1 1 154 154 ALA N N 154 123.665 123.665 122.261 1.404 19945 13870 1 14 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.099 -0.211 19945 13871 1 14 . 1 1 154 154 ALA C C 154 180.417 180.417 179.721 0.696 19945 13872 1 14 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.099 1.439 19945 13873 1 14 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.241 -1.019 19945 13874 1 14 . 1 1 154 154 ALA H H 154 9.077 9.077 8.372 0.705 19945 13875 1 14 . 1 1 155 155 GLU N N 155 119.661 119.661 119.495 0.166 19945 13876 1 14 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.021 0.231 19945 13877 1 14 . 1 1 155 155 GLU C C 155 178.518 178.518 179.395 -0.877 19945 13878 1 14 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.831 -1.013 19945 13879 1 14 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.413 0.294 19945 13880 1 14 . 1 1 155 155 GLU H H 155 8.647 8.647 8.035 0.612 19945 13881 1 14 . 1 1 156 156 ARG N N 156 120.739 120.739 120.019 0.720 19945 13882 1 14 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.297 -0.079 19945 13883 1 14 . 1 1 156 156 ARG C C 156 177.252 177.252 179.037 -1.785 19945 13884 1 14 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.655 0.814 19945 13885 1 14 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.348 0.675 19945 13886 1 14 . 1 1 156 156 ARG H H 156 8.129 8.129 8.301 -0.172 19945 13887 1 14 . 1 1 157 157 VAL N N 157 117.372 117.372 119.932 -2.560 19945 13888 1 14 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.576 -0.257 19945 13889 1 14 . 1 1 157 157 VAL C C 157 177.192 177.192 177.828 -0.636 19945 13890 1 14 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.825 0.575 19945 13891 1 14 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.351 0.481 19945 13892 1 14 . 1 1 157 157 VAL H H 157 8.578 8.578 8.522 0.056 19945 13893 1 14 . 1 1 158 158 GLU N N 158 118.631 118.631 121.070 -2.439 19945 13894 1 14 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.161 0.036 19945 13895 1 14 . 1 1 158 158 GLU C C 158 179.995 179.995 179.382 0.613 19945 13896 1 14 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.863 -0.125 19945 13897 1 14 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.460 -0.283 19945 13898 1 14 . 1 1 158 158 GLU H H 158 8.046 8.046 8.320 -0.274 19945 13899 1 14 . 1 1 159 159 LYS N N 159 118.860 118.860 119.954 -1.094 19945 13900 1 14 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.117 0.069 19945 13901 1 14 . 1 1 159 159 LYS C C 159 179.844 179.844 178.992 0.852 19945 13902 1 14 . 1 1 159 159 LYS CA C 159 59.995 59.995 60.130 -0.135 19945 13903 1 14 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.596 1.096 19945 13904 1 14 . 1 1 159 159 LYS H H 159 8.522 8.522 8.287 0.235 19945 13905 1 14 . 1 1 160 160 TRP N N 160 125.100 125.100 121.460 3.640 19945 13906 1 14 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.507 -0.137 19945 13907 1 14 . 1 1 160 160 TRP C C 160 178.006 178.006 177.959 0.047 19945 13908 1 14 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.670 1.144 19945 13909 1 14 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.406 -0.614 19945 13910 1 14 . 1 1 160 160 TRP H H 160 9.076 9.076 8.362 0.714 19945 13911 1 14 . 1 1 161 161 VAL N N 161 118.402 118.402 118.930 -0.528 19945 13912 1 14 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.196 0.174 19945 13913 1 14 . 1 1 161 161 VAL C C 161 179.392 179.392 178.430 0.962 19945 13914 1 14 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.886 0.118 19945 13915 1 14 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.102 -0.752 19945 13916 1 14 . 1 1 161 161 VAL H H 161 9.024 9.024 8.803 0.221 19945 13917 1 14 . 1 1 162 162 LYS N N 162 123.209 123.209 119.875 3.334 19945 13918 1 14 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.951 0.051 19945 13919 1 14 . 1 1 162 162 LYS C C 162 178.759 178.759 179.218 -0.459 19945 13920 1 14 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.840 0.532 19945 13921 1 14 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.192 0.172 19945 13922 1 14 . 1 1 162 162 LYS H H 162 7.820 7.820 8.326 -0.506 19945 13923 1 14 . 1 1 163 163 GLN N N 163 121.722 121.722 118.622 3.100 19945 13924 1 14 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.067 0.123 19945 13925 1 14 . 1 1 163 163 GLN C C 163 179.935 179.935 178.574 1.361 19945 13926 1 14 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.525 1.201 19945 13927 1 14 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.753 0.269 19945 13928 1 14 . 1 1 163 163 GLN H H 163 8.126 8.126 7.951 0.175 19945 13929 1 14 . 1 1 164 164 ILE N N 164 114.390 114.390 116.840 -2.450 19945 13930 1 14 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.548 0.442 19945 13931 1 14 . 1 1 164 164 ILE C C 164 178.156 178.156 177.697 0.459 19945 13932 1 14 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.695 0.481 19945 13933 1 14 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.900 0.778 19945 13934 1 14 . 1 1 164 164 ILE H H 164 9.110 9.110 8.126 0.984 19945 13935 1 14 . 1 1 165 165 SER N N 165 119.660 119.660 116.829 2.831 19945 13936 1 14 . 1 1 165 165 SER HA H 165 3.976 3.976 3.931 0.045 19945 13937 1 14 . 1 1 165 165 SER C C 165 176.438 176.438 176.094 0.344 19945 13938 1 14 . 1 1 165 165 SER CA C 165 63.180 63.180 63.362 -0.182 19945 13939 1 14 . 1 1 165 165 SER CB C 165 62.383 62.383 62.882 -0.499 19945 13940 1 14 . 1 1 165 165 SER H H 165 8.278 8.278 8.351 -0.073 19945 13941 1 14 . 1 1 166 166 GLU N N 166 122.290 122.290 119.714 2.576 19945 13942 1 14 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.090 0.120 19945 13943 1 14 . 1 1 166 166 GLU C C 166 179.965 179.965 178.855 1.110 19945 13944 1 14 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.284 0.911 19945 13945 1 14 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.114 0.130 19945 13946 1 14 . 1 1 166 166 GLU H H 166 7.345 7.345 7.672 -0.327 19945 13947 1 14 . 1 1 167 167 GLU N N 167 120.787 120.787 120.406 0.381 19945 13948 1 14 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.932 0.007 19945 13949 1 14 . 1 1 167 167 GLU C C 167 178.518 178.518 177.753 0.765 19945 13950 1 14 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.659 1.341 19945 13951 1 14 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.721 1.079 19945 13952 1 14 . 1 1 167 167 GLU H H 167 8.413 8.413 7.804 0.609 19945 13953 1 14 . 1 1 168 168 LEU N N 168 115.420 115.420 115.948 -0.528 19945 13954 1 14 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.293 -0.156 19945 13955 1 14 . 1 1 168 168 LEU C C 168 175.896 175.896 176.368 -0.472 19945 13956 1 14 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.595 0.185 19945 13957 1 14 . 1 1 168 168 LEU CB C 168 43.300 43.300 41.616 1.684 19945 13958 1 14 . 1 1 168 168 LEU H H 168 8.553 8.553 8.018 0.535 19945 13959 1 14 . 1 1 169 169 HIS N N 169 113.347 113.347 113.980 -0.633 19945 13960 1 14 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.290 0.061 19945 13961 1 14 . 1 1 169 169 HIS C C 169 175.835 175.835 176.649 -0.814 19945 13962 1 14 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.069 -0.796 19945 13963 1 14 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.748 -1.026 19945 13964 1 14 . 1 1 169 169 HIS H H 169 7.550 7.550 7.419 0.131 19945 13965 1 14 . 1 1 170 170 LEU N N 170 117.250 117.250 118.859 -1.609 19945 13966 1 14 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.069 -0.066 19945 13967 1 14 . 1 1 170 170 LEU C C 170 178.096 178.096 178.092 0.004 19945 13968 1 14 . 1 1 170 170 LEU CA C 170 57.968 57.968 57.668 0.300 19945 13969 1 14 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.220 0.638 19945 13970 1 14 . 1 1 170 170 LEU H H 170 8.069 8.069 8.288 -0.219 19945 13971 1 14 . 1 1 171 171 ASP N N 171 117.300 117.300 119.322 -2.022 19945 13972 1 14 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.303 0.032 19945 13973 1 14 . 1 1 171 171 ASP C C 171 177.915 177.915 178.202 -0.287 19945 13974 1 14 . 1 1 171 171 ASP CA C 171 56.690 56.690 57.775 -1.085 19945 13975 1 14 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.701 -0.641 19945 13976 1 14 . 1 1 171 171 ASP H H 171 8.732 8.732 8.500 0.232 19945 13977 1 14 . 1 1 172 172 GLU N N 172 119.203 119.203 117.884 1.319 19945 13978 1 14 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.159 0.068 19945 13979 1 14 . 1 1 172 172 GLU C C 172 178.277 178.277 177.826 0.451 19945 13980 1 14 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.449 -0.317 19945 13981 1 14 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.526 0.474 19945 13982 1 14 . 1 1 172 172 GLU H H 172 7.804 7.804 7.787 0.017 19945 13983 1 14 . 1 1 173 173 ILE N N 173 119.519 119.519 116.770 2.749 19945 13984 1 14 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.068 -0.015 19945 13985 1 14 . 1 1 173 173 ILE C C 173 178.006 178.006 178.786 -0.780 19945 13986 1 14 . 1 1 173 173 ILE CA C 173 63.600 63.600 61.737 1.863 19945 13987 1 14 . 1 1 173 173 ILE CB C 173 39.000 39.000 38.174 0.826 19945 13988 1 14 . 1 1 173 173 ILE H H 173 7.787 7.787 7.594 0.193 19945 13989 1 14 . 1 1 174 174 LEU N N 174 121.260 121.260 119.656 1.604 19945 13990 1 14 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.180 0.106 19945 13991 1 14 . 1 1 174 174 LEU C C 174 177.704 177.704 178.253 -0.549 19945 13992 1 14 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.907 -1.634 19945 13993 1 14 . 1 1 174 174 LEU CB C 174 42.459 42.459 41.800 0.659 19945 13994 1 14 . 1 1 174 174 LEU H H 174 8.241 8.241 8.332 -0.091 19945 13995 1 14 . 1 1 175 175 ASN N N 175 118.280 118.280 117.811 0.469 19945 13996 1 14 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.778 0.051 19945 13997 1 14 . 1 1 175 175 ASN C C 175 173.846 173.846 175.129 -1.283 19945 13998 1 14 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.921 1.301 19945 13999 1 14 . 1 1 175 175 ASN CB C 175 39.271 39.271 38.907 0.364 19945 14000 1 14 . 1 1 175 175 ASN H H 175 7.883 7.883 8.158 -0.275 19945 14001 1 15 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.626 -0.374 19945 14002 1 15 . 1 1 2 2 ALA C C 2 174.479 174.479 177.345 -2.866 19945 14003 1 15 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.763 0.705 19945 14004 1 15 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.572 -0.405 19945 14005 1 15 . 1 1 3 3 ILE N N 3 116.571 116.571 116.227 0.344 19945 14006 1 15 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.646 -0.101 19945 14007 1 15 . 1 1 3 3 ILE C C 3 175.806 175.806 176.000 -0.194 19945 14008 1 15 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.727 1.468 19945 14009 1 15 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.359 0.051 19945 14010 1 15 . 1 1 3 3 ILE H H 3 8.456 8.456 8.616 -0.160 19945 14011 1 15 . 1 1 4 4 THR N N 4 115.734 115.734 118.694 -2.960 19945 14012 1 15 . 1 1 4 4 THR HA H 4 5.124 5.124 5.037 0.087 19945 14013 1 15 . 1 1 4 4 THR C C 4 172.410 172.410 173.444 -1.034 19945 14014 1 15 . 1 1 4 4 THR CA C 4 61.724 61.724 61.664 0.060 19945 14015 1 15 . 1 1 4 4 THR CB C 4 70.059 70.059 70.256 -0.197 19945 14016 1 15 . 1 1 4 4 THR H H 4 8.244 8.244 8.211 0.033 19945 14017 1 15 . 1 1 5 5 GLY N N 5 116.016 116.016 113.414 2.602 19945 14018 1 15 . 1 1 5 5 GLY C C 5 171.077 171.077 172.448 -1.371 19945 14019 1 15 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.078 0.431 19945 14020 1 15 . 1 1 5 5 GLY H H 5 8.554 8.554 8.993 -0.439 19945 14021 1 15 . 1 1 6 6 ILE N N 6 126.504 126.504 126.491 0.013 19945 14022 1 15 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.853 0.598 19945 14023 1 15 . 1 1 6 6 ILE C C 6 175.245 175.245 174.506 0.739 19945 14024 1 15 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.135 -1.217 19945 14025 1 15 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.930 -0.722 19945 14026 1 15 . 1 1 6 6 ILE H H 6 8.719 8.719 8.918 -0.199 19945 14027 1 15 . 1 1 7 7 PHE N N 7 127.559 127.559 126.854 0.705 19945 14028 1 15 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.491 0.122 19945 14029 1 15 . 1 1 7 7 PHE C C 7 174.634 174.634 175.011 -0.377 19945 14030 1 15 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.066 -0.403 19945 14031 1 15 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.726 -0.038 19945 14032 1 15 . 1 1 7 7 PHE H H 7 9.609 9.609 9.572 0.037 19945 14033 1 15 . 1 1 8 8 PHE N N 8 120.006 120.006 120.843 -0.837 19945 14034 1 15 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.426 0.798 19945 14035 1 15 . 1 1 8 8 PHE C C 8 171.212 171.212 174.411 -3.199 19945 14036 1 15 . 1 1 8 8 PHE CA C 8 54.679 54.679 54.877 -0.198 19945 14037 1 15 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.764 1.757 19945 14038 1 15 . 1 1 8 8 PHE H H 8 8.545 8.545 8.908 -0.363 19945 14039 1 15 . 1 1 9 9 GLY N N 9 109.650 109.650 109.981 -0.331 19945 14040 1 15 . 1 1 9 9 GLY C C 9 172.512 172.512 172.618 -0.106 19945 14041 1 15 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.778 0.540 19945 14042 1 15 . 1 1 9 9 GLY H H 9 7.701 7.701 7.998 -0.297 19945 14043 1 15 . 1 1 10 10 SER N N 10 115.953 115.953 116.352 -0.399 19945 14044 1 15 . 1 1 10 10 SER HA H 10 5.001 5.001 4.782 0.219 19945 14045 1 15 . 1 1 10 10 SER C C 10 173.439 173.439 173.294 0.145 19945 14046 1 15 . 1 1 10 10 SER CA C 10 58.308 58.308 58.133 0.175 19945 14047 1 15 . 1 1 10 10 SER CB C 10 66.423 66.423 66.723 -0.300 19945 14048 1 15 . 1 1 10 10 SER H H 10 8.634 8.634 8.118 0.516 19945 14049 1 15 . 1 1 11 11 ASP N N 11 104.000 104.000 120.562 -16.562 19945 14050 1 15 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.713 0.261 19945 14051 1 15 . 1 1 11 11 ASP C C 11 179.108 179.108 177.263 1.845 19945 14052 1 15 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.370 0.179 19945 14053 1 15 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.365 -1.265 19945 14054 1 15 . 1 1 11 11 ASP H H 11 11.201 11.201 8.696 2.505 19945 14055 1 15 . 1 1 12 12 THR N N 12 112.000 112.000 111.082 0.918 19945 14056 1 15 . 1 1 12 12 THR HA H 12 4.804 4.804 4.520 0.284 19945 14057 1 15 . 1 1 12 12 THR C C 12 175.080 175.080 175.039 0.041 19945 14058 1 15 . 1 1 12 12 THR CA C 12 60.237 60.237 63.348 -3.111 19945 14059 1 15 . 1 1 12 12 THR CB C 12 68.567 68.567 69.743 -1.176 19945 14060 1 15 . 1 1 12 12 THR H H 12 9.311 9.311 8.344 0.967 19945 14061 1 15 . 1 1 13 13 GLY N N 13 112.221 112.221 110.648 1.573 19945 14062 1 15 . 1 1 13 13 GLY C C 13 176.690 176.690 174.959 1.731 19945 14063 1 15 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.068 1.232 19945 14064 1 15 . 1 1 13 13 GLY H H 13 8.000 8.000 8.238 -0.238 19945 14065 1 15 . 1 1 14 14 ASN N N 14 128.520 128.520 119.073 9.447 19945 14066 1 15 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.453 0.173 19945 14067 1 15 . 1 1 14 14 ASN C C 14 178.888 178.888 177.222 1.666 19945 14068 1 15 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.466 1.598 19945 14069 1 15 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.687 -1.853 19945 14070 1 15 . 1 1 14 14 ASN H H 14 11.112 11.112 8.588 2.524 19945 14071 1 15 . 1 1 15 15 THR N N 15 122.550 122.550 116.689 5.861 19945 14072 1 15 . 1 1 15 15 THR HA H 15 4.369 4.369 4.074 0.295 19945 14073 1 15 . 1 1 15 15 THR C C 15 176.786 176.786 175.213 1.573 19945 14074 1 15 . 1 1 15 15 THR CA C 15 67.325 67.325 65.276 2.049 19945 14075 1 15 . 1 1 15 15 THR CB C 15 67.961 67.961 68.554 -0.593 19945 14076 1 15 . 1 1 15 15 THR H H 15 11.327 11.327 7.847 3.480 19945 14077 1 15 . 1 1 16 16 GLU N N 16 120.578 120.578 122.392 -1.814 19945 14078 1 15 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.296 -0.009 19945 14079 1 15 . 1 1 16 16 GLU C C 16 176.642 176.642 177.792 -1.150 19945 14080 1 15 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.356 -0.287 19945 14081 1 15 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.043 -0.666 19945 14082 1 15 . 1 1 16 16 GLU H H 16 6.590 6.590 8.068 -1.478 19945 14083 1 15 . 1 1 17 17 ASN N N 17 118.000 118.000 117.762 0.238 19945 14084 1 15 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.431 -0.121 19945 14085 1 15 . 1 1 17 17 ASN C C 17 178.255 178.255 177.714 0.541 19945 14086 1 15 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.635 0.666 19945 14087 1 15 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.950 -0.312 19945 14088 1 15 . 1 1 17 17 ASN H H 17 7.705 7.705 7.555 0.150 19945 14089 1 15 . 1 1 18 18 ILE N N 18 119.430 119.430 120.151 -0.721 19945 14090 1 15 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.758 -0.106 19945 14091 1 15 . 1 1 18 18 ILE C C 18 177.564 177.564 177.759 -0.195 19945 14092 1 15 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.063 -0.563 19945 14093 1 15 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.476 -1.925 19945 14094 1 15 . 1 1 18 18 ILE H H 18 8.141 8.141 7.250 0.891 19945 14095 1 15 . 1 1 19 19 ALA N N 19 123.208 123.208 122.473 0.735 19945 14096 1 15 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.881 -0.212 19945 14097 1 15 . 1 1 19 19 ALA C C 19 178.888 178.888 179.554 -0.666 19945 14098 1 15 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.484 0.171 19945 14099 1 15 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.071 0.744 19945 14100 1 15 . 1 1 19 19 ALA H H 19 8.304 8.304 8.412 -0.108 19945 14101 1 15 . 1 1 20 20 LYS N N 20 116.460 116.460 118.912 -2.452 19945 14102 1 15 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.975 -0.159 19945 14103 1 15 . 1 1 20 20 LYS C C 20 179.666 179.666 179.026 0.640 19945 14104 1 15 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.400 0.422 19945 14105 1 15 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.313 -0.215 19945 14106 1 15 . 1 1 20 20 LYS H H 20 7.722 7.722 7.822 -0.100 19945 14107 1 15 . 1 1 21 21 MET N N 21 123.880 123.880 118.831 5.049 19945 14108 1 15 . 1 1 21 21 MET HA H 21 3.946 3.946 4.023 -0.077 19945 14109 1 15 . 1 1 21 21 MET C C 21 179.435 179.435 178.856 0.579 19945 14110 1 15 . 1 1 21 21 MET CA C 21 59.662 59.662 59.199 0.463 19945 14111 1 15 . 1 1 21 21 MET CB C 21 34.262 34.262 32.487 1.775 19945 14112 1 15 . 1 1 21 21 MET H H 21 8.336 8.336 8.201 0.135 19945 14113 1 15 . 1 1 22 22 ILE N N 22 122.065 122.065 120.146 1.919 19945 14114 1 15 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.555 -0.310 19945 14115 1 15 . 1 1 22 22 ILE C C 22 177.592 177.592 177.620 -0.028 19945 14116 1 15 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.466 0.258 19945 14117 1 15 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.651 0.026 19945 14118 1 15 . 1 1 22 22 ILE H H 22 8.500 8.500 7.856 0.644 19945 14119 1 15 . 1 1 23 23 GLN N N 23 119.264 119.264 119.943 -0.679 19945 14120 1 15 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.846 -0.402 19945 14121 1 15 . 1 1 23 23 GLN C C 23 177.017 177.017 178.298 -1.281 19945 14122 1 15 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.281 0.410 19945 14123 1 15 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.629 -0.781 19945 14124 1 15 . 1 1 23 23 GLN H H 23 7.985 7.985 8.377 -0.392 19945 14125 1 15 . 1 1 24 24 LYS N N 24 118.970 118.970 117.628 1.342 19945 14126 1 15 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.027 -0.107 19945 14127 1 15 . 1 1 24 24 LYS C C 24 178.427 178.427 179.185 -0.758 19945 14128 1 15 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.716 0.444 19945 14129 1 15 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.927 0.437 19945 14130 1 15 . 1 1 24 24 LYS H H 24 7.942 7.942 8.342 -0.400 19945 14131 1 15 . 1 1 25 25 GLN N N 25 118.400 118.400 117.470 0.930 19945 14132 1 15 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.110 -0.107 19945 14133 1 15 . 1 1 25 25 GLN C C 25 178.226 178.226 177.958 0.268 19945 14134 1 15 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.794 0.289 19945 14135 1 15 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.845 0.065 19945 14136 1 15 . 1 1 25 25 GLN H H 25 7.636 7.636 7.547 0.089 19945 14137 1 15 . 1 1 26 26 LEU N N 26 119.080 119.080 118.561 0.519 19945 14138 1 15 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.195 -0.176 19945 14139 1 15 . 1 1 26 26 LEU C C 26 177.247 177.247 177.830 -0.583 19945 14140 1 15 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.152 0.917 19945 14141 1 15 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.566 0.583 19945 14142 1 15 . 1 1 26 26 LEU H H 26 8.098 8.098 7.813 0.285 19945 14143 1 15 . 1 1 27 27 GLY N N 27 107.750 107.750 106.380 1.370 19945 14144 1 15 . 1 1 27 27 GLY C C 27 175.231 175.231 174.932 0.299 19945 14145 1 15 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.479 -0.419 19945 14146 1 15 . 1 1 27 27 GLY H H 27 8.050 8.050 8.101 -0.051 19945 14147 1 15 . 1 1 28 28 LYS N N 28 125.187 125.187 122.568 2.619 19945 14148 1 15 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.119 0.104 19945 14149 1 15 . 1 1 28 28 LYS C C 28 176.372 176.372 176.977 -0.605 19945 14150 1 15 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.305 0.624 19945 14151 1 15 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.472 -0.374 19945 14152 1 15 . 1 1 28 28 LYS H H 28 8.786 8.786 8.546 0.240 19945 14153 1 15 . 1 1 29 29 ASP N N 29 115.960 115.960 115.789 0.171 19945 14154 1 15 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.584 -0.009 19945 14155 1 15 . 1 1 29 29 ASP C C 29 176.437 176.437 177.545 -1.108 19945 14156 1 15 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.900 -0.690 19945 14157 1 15 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.606 -0.804 19945 14158 1 15 . 1 1 29 29 ASP H H 29 8.919 8.919 8.118 0.801 19945 14159 1 15 . 1 1 30 30 VAL N N 30 120.609 120.609 118.525 2.084 19945 14160 1 15 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.157 -0.101 19945 14161 1 15 . 1 1 30 30 VAL C C 30 174.656 174.656 175.047 -0.391 19945 14162 1 15 . 1 1 30 30 VAL CA C 30 63.720 63.720 62.790 0.930 19945 14163 1 15 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.050 -0.212 19945 14164 1 15 . 1 1 30 30 VAL H H 30 7.573 7.573 7.680 -0.107 19945 14165 1 15 . 1 1 31 31 ALA N N 31 123.100 123.100 120.422 2.678 19945 14166 1 15 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.206 0.325 19945 14167 1 15 . 1 1 31 31 ALA C C 31 175.174 175.174 174.791 0.383 19945 14168 1 15 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.361 -0.199 19945 14169 1 15 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.512 0.819 19945 14170 1 15 . 1 1 31 31 ALA H H 31 7.951 7.951 8.155 -0.204 19945 14171 1 15 . 1 1 32 32 ASP N N 32 121.576 121.576 120.149 1.427 19945 14172 1 15 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.983 -0.114 19945 14173 1 15 . 1 1 32 32 ASP C C 32 174.771 174.771 174.184 0.587 19945 14174 1 15 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.627 0.785 19945 14175 1 15 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.972 -1.185 19945 14176 1 15 . 1 1 32 32 ASP H H 32 8.175 8.175 8.577 -0.402 19945 14177 1 15 . 1 1 33 33 VAL N N 33 120.428 120.428 121.462 -1.034 19945 14178 1 15 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.810 -0.153 19945 14179 1 15 . 1 1 33 33 VAL C C 33 174.252 174.252 174.969 -0.717 19945 14180 1 15 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.128 0.175 19945 14181 1 15 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.873 0.003 19945 14182 1 15 . 1 1 33 33 VAL H H 33 8.397 8.397 8.124 0.273 19945 14183 1 15 . 1 1 34 34 HIS N N 34 125.285 125.285 124.306 0.979 19945 14184 1 15 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.966 -0.413 19945 14185 1 15 . 1 1 34 34 HIS C C 34 171.920 171.920 172.711 -0.791 19945 14186 1 15 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.933 -1.362 19945 14187 1 15 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.064 -0.644 19945 14188 1 15 . 1 1 34 34 HIS H H 34 8.945 8.945 9.220 -0.275 19945 14189 1 15 . 1 1 35 35 ASP N N 35 124.120 124.120 118.929 5.191 19945 14190 1 15 . 1 1 35 35 ASP HA H 35 3.297 3.297 5.033 -1.736 19945 14191 1 15 . 1 1 35 35 ASP C C 35 179.780 179.780 176.743 3.037 19945 14192 1 15 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.398 -0.642 19945 14193 1 15 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.983 -1.587 19945 14194 1 15 . 1 1 35 35 ASP H H 35 8.589 8.589 8.743 -0.154 19945 14195 1 15 . 1 1 36 36 ILE N N 36 106.681 106.681 127.121 -20.440 19945 14196 1 15 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.487 0.067 19945 14197 1 15 . 1 1 36 36 ILE C C 36 175.404 175.404 177.121 -1.717 19945 14198 1 15 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.801 -3.451 19945 14199 1 15 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.291 1.980 19945 14200 1 15 . 1 1 36 36 ILE H H 36 9.705 9.705 9.010 0.695 19945 14201 1 15 . 1 1 37 37 ALA N N 37 123.095 123.095 122.820 0.275 19945 14202 1 15 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.003 0.086 19945 14203 1 15 . 1 1 37 37 ALA C C 37 178.140 178.140 178.494 -0.354 19945 14204 1 15 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.564 -0.948 19945 14205 1 15 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.465 0.881 19945 14206 1 15 . 1 1 37 37 ALA H H 37 8.261 8.261 8.726 -0.465 19945 14207 1 15 . 1 1 38 38 LYS N N 38 115.312 115.312 117.388 -2.076 19945 14208 1 15 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.237 0.374 19945 14209 1 15 . 1 1 38 38 LYS C C 38 176.498 176.498 176.964 -0.466 19945 14210 1 15 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.899 -2.752 19945 14211 1 15 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.968 0.458 19945 14212 1 15 . 1 1 38 38 LYS H H 38 7.437 7.437 7.958 -0.521 19945 14213 1 15 . 1 1 39 39 SER N N 39 115.623 115.623 116.574 -0.951 19945 14214 1 15 . 1 1 39 39 SER HA H 39 5.019 5.019 4.518 0.501 19945 14215 1 15 . 1 1 39 39 SER C C 39 171.402 171.402 173.567 -2.165 19945 14216 1 15 . 1 1 39 39 SER CA C 39 58.929 58.929 59.563 -0.634 19945 14217 1 15 . 1 1 39 39 SER CB C 39 65.538 65.538 63.842 1.696 19945 14218 1 15 . 1 1 39 39 SER H H 39 7.051 7.051 7.430 -0.379 19945 14219 1 15 . 1 1 40 40 SER N N 40 118.860 118.860 116.277 2.583 19945 14220 1 15 . 1 1 40 40 SER HA H 40 5.025 5.025 4.878 0.147 19945 14221 1 15 . 1 1 40 40 SER C C 40 174.741 174.741 175.033 -0.292 19945 14222 1 15 . 1 1 40 40 SER CA C 40 56.003 56.003 57.027 -1.024 19945 14223 1 15 . 1 1 40 40 SER CB C 40 67.416 67.416 65.293 2.123 19945 14224 1 15 . 1 1 40 40 SER H H 40 9.377 9.377 8.182 1.195 19945 14225 1 15 . 1 1 41 41 LYS N N 41 122.504 122.504 122.782 -0.278 19945 14226 1 15 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.941 -0.203 19945 14227 1 15 . 1 1 41 41 LYS C C 41 177.391 177.391 178.005 -0.614 19945 14228 1 15 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.879 1.095 19945 14229 1 15 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.160 1.147 19945 14230 1 15 . 1 1 41 41 LYS H H 41 9.098 9.098 8.843 0.255 19945 14231 1 15 . 1 1 42 42 GLU N N 42 115.836 115.836 115.625 0.211 19945 14232 1 15 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.154 -0.026 19945 14233 1 15 . 1 1 42 42 GLU C C 42 178.773 178.773 177.598 1.175 19945 14234 1 15 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.703 2.289 19945 14235 1 15 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.311 -0.667 19945 14236 1 15 . 1 1 42 42 GLU H H 42 8.839 8.839 8.519 0.320 19945 14237 1 15 . 1 1 43 43 ASP N N 43 119.589 119.589 121.128 -1.539 19945 14238 1 15 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.445 0.041 19945 14239 1 15 . 1 1 43 43 ASP C C 43 177.564 177.564 177.887 -0.323 19945 14240 1 15 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.647 0.955 19945 14241 1 15 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.893 -0.087 19945 14242 1 15 . 1 1 43 43 ASP H H 43 7.794 7.794 7.804 -0.010 19945 14243 1 15 . 1 1 44 44 LEU N N 44 118.745 118.745 118.432 0.313 19945 14244 1 15 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.226 -0.255 19945 14245 1 15 . 1 1 44 44 LEU C C 44 178.600 178.600 179.118 -0.518 19945 14246 1 15 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.833 2.049 19945 14247 1 15 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.843 0.881 19945 14248 1 15 . 1 1 44 44 LEU H H 44 6.854 6.854 7.619 -0.765 19945 14249 1 15 . 1 1 45 45 GLU N N 45 114.280 114.280 117.254 -2.974 19945 14250 1 15 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.138 -0.511 19945 14251 1 15 . 1 1 45 45 GLU C C 45 176.988 176.988 177.241 -0.253 19945 14252 1 15 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.250 0.426 19945 14253 1 15 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.269 0.969 19945 14254 1 15 . 1 1 45 45 GLU H H 45 7.571 7.571 7.715 -0.144 19945 14255 1 15 . 1 1 46 46 ALA N N 46 118.860 118.860 120.862 -2.002 19945 14256 1 15 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.080 -0.042 19945 14257 1 15 . 1 1 46 46 ALA C C 46 176.901 176.901 177.840 -0.939 19945 14258 1 15 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.358 -0.039 19945 14259 1 15 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.046 0.035 19945 14260 1 15 . 1 1 46 46 ALA H H 46 7.026 7.026 7.490 -0.464 19945 14261 1 15 . 1 1 47 47 TYR N N 47 115.674 115.674 116.313 -0.639 19945 14262 1 15 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.552 0.179 19945 14263 1 15 . 1 1 47 47 TYR C C 47 175.807 175.807 175.180 0.627 19945 14264 1 15 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.816 -1.209 19945 14265 1 15 . 1 1 47 47 TYR CB C 47 41.662 41.662 40.141 1.521 19945 14266 1 15 . 1 1 47 47 TYR H H 47 7.277 7.277 7.532 -0.255 19945 14267 1 15 . 1 1 48 48 ASP N N 48 121.598 121.598 120.064 1.534 19945 14268 1 15 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.851 0.057 19945 14269 1 15 . 1 1 48 48 ASP C C 48 175.030 175.030 175.790 -0.760 19945 14270 1 15 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.926 0.282 19945 14271 1 15 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.931 -1.285 19945 14272 1 15 . 1 1 48 48 ASP H H 48 9.546 9.546 8.564 0.982 19945 14273 1 15 . 1 1 49 49 ILE N N 49 119.608 119.608 120.039 -0.431 19945 14274 1 15 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.001 0.293 19945 14275 1 15 . 1 1 49 49 ILE C C 49 175.059 175.059 174.444 0.615 19945 14276 1 15 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.384 0.146 19945 14277 1 15 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.500 -0.432 19945 14278 1 15 . 1 1 49 49 ILE H H 49 7.331 7.331 8.016 -0.685 19945 14279 1 15 . 1 1 50 50 LEU N N 50 127.901 127.901 127.138 0.763 19945 14280 1 15 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.355 0.305 19945 14281 1 15 . 1 1 50 50 LEU C C 50 174.598 174.598 175.259 -0.661 19945 14282 1 15 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.326 -0.507 19945 14283 1 15 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.704 4.333 19945 14284 1 15 . 1 1 50 50 LEU H H 50 9.095 9.095 9.061 0.034 19945 14285 1 15 . 1 1 51 51 LEU N N 51 123.440 123.440 125.841 -2.401 19945 14286 1 15 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.354 0.678 19945 14287 1 15 . 1 1 51 51 LEU C C 51 175.894 175.894 175.499 0.395 19945 14288 1 15 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.218 -0.907 19945 14289 1 15 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.186 0.132 19945 14290 1 15 . 1 1 51 51 LEU H H 51 9.275 9.275 9.409 -0.134 19945 14291 1 15 . 1 1 52 52 LEU N N 52 123.320 123.320 125.709 -2.389 19945 14292 1 15 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.404 0.252 19945 14293 1 15 . 1 1 52 52 LEU C C 52 173.763 173.763 175.832 -2.069 19945 14294 1 15 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.585 -0.708 19945 14295 1 15 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.707 -2.221 19945 14296 1 15 . 1 1 52 52 LEU H H 52 9.024 9.024 9.221 -0.197 19945 14297 1 15 . 1 1 53 53 GLY N N 53 110.739 110.739 112.011 -1.272 19945 14298 1 15 . 1 1 53 53 GLY C C 53 174.530 174.530 171.377 3.153 19945 14299 1 15 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.801 0.188 19945 14300 1 15 . 1 1 53 53 GLY H H 53 9.283 9.283 9.299 -0.016 19945 14301 1 15 . 1 1 54 54 ILE N N 54 126.032 126.032 123.578 2.454 19945 14302 1 15 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.160 1.046 19945 14303 1 15 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.533 -0.526 19945 14304 1 15 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.895 1.095 19945 14305 1 15 . 1 1 54 54 ILE H H 54 9.136 9.136 8.493 0.643 19945 14306 1 15 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.837 0.480 19945 14307 1 15 . 1 1 55 55 PRO C C 55 174.771 174.771 176.242 -1.471 19945 14308 1 15 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.885 -0.137 19945 14309 1 15 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.568 0.446 19945 14310 1 15 . 1 1 56 56 THR N N 56 113.710 113.710 118.898 -5.188 19945 14311 1 15 . 1 1 56 56 THR HA H 56 4.582 4.582 4.837 -0.255 19945 14312 1 15 . 1 1 56 56 THR C C 56 171.719 171.719 173.964 -2.245 19945 14313 1 15 . 1 1 56 56 THR CA C 56 62.383 62.383 62.727 -0.344 19945 14314 1 15 . 1 1 56 56 THR CB C 56 69.692 69.692 70.677 -0.985 19945 14315 1 15 . 1 1 56 56 THR H H 56 6.599 6.599 8.088 -1.489 19945 14316 1 15 . 1 1 57 57 TRP N N 57 130.050 130.050 124.495 5.555 19945 14317 1 15 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.737 -2.111 19945 14318 1 15 . 1 1 57 57 TRP C C 57 172.611 172.611 175.550 -2.939 19945 14319 1 15 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.461 -0.186 19945 14320 1 15 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.528 2.226 19945 14321 1 15 . 1 1 57 57 TRP H H 57 8.865 8.865 8.975 -0.110 19945 14322 1 15 . 1 1 58 58 TYR N N 58 112.793 112.793 120.475 -7.682 19945 14323 1 15 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.039 0.177 19945 14324 1 15 . 1 1 58 58 TYR C C 58 173.619 173.619 174.682 -1.063 19945 14325 1 15 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.474 0.727 19945 14326 1 15 . 1 1 58 58 TYR CB C 58 36.200 36.200 37.626 -1.426 19945 14327 1 15 . 1 1 58 58 TYR H H 58 5.730 5.730 8.895 -3.165 19945 14328 1 15 . 1 1 59 59 TYR N N 59 112.220 112.220 118.240 -6.020 19945 14329 1 15 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.510 -0.115 19945 14330 1 15 . 1 1 59 59 TYR C C 59 175.865 175.865 175.298 0.567 19945 14331 1 15 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.786 1.674 19945 14332 1 15 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.304 -1.694 19945 14333 1 15 . 1 1 59 59 TYR H H 59 7.661 7.661 7.671 -0.011 19945 14334 1 15 . 1 1 60 60 GLY N N 60 104.550 104.550 105.632 -1.082 19945 14335 1 15 . 1 1 60 60 GLY C C 60 174.483 174.483 174.477 0.006 19945 14336 1 15 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.344 0.834 19945 14337 1 15 . 1 1 60 60 GLY H H 60 8.142 8.142 7.968 0.174 19945 14338 1 15 . 1 1 61 61 GLU N N 61 120.991 120.991 119.315 1.676 19945 14339 1 15 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.934 -0.496 19945 14340 1 15 . 1 1 61 61 GLU C C 61 175.548 175.548 175.375 0.173 19945 14341 1 15 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.786 0.690 19945 14342 1 15 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.611 -3.111 19945 14343 1 15 . 1 1 61 61 GLU H H 61 8.307 8.307 8.423 -0.116 19945 14344 1 15 . 1 1 62 62 ALA N N 62 122.750 122.750 123.987 -1.237 19945 14345 1 15 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.538 -0.332 19945 14346 1 15 . 1 1 62 62 ALA C C 62 176.671 176.671 177.332 -0.661 19945 14347 1 15 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.854 -0.044 19945 14348 1 15 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.934 1.272 19945 14349 1 15 . 1 1 62 62 ALA H H 62 8.722 8.722 8.592 0.130 19945 14350 1 15 . 1 1 63 63 GLN N N 63 120.579 120.579 118.855 1.724 19945 14351 1 15 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.105 -0.219 19945 14352 1 15 . 1 1 63 63 GLN C C 63 176.757 176.757 177.113 -0.356 19945 14353 1 15 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.516 2.093 19945 14354 1 15 . 1 1 63 63 GLN H H 63 6.302 6.302 8.605 -2.303 19945 14355 1 15 . 1 1 64 64 CYS N N 64 125.487 125.487 124.662 0.825 19945 14356 1 15 . 1 1 64 64 CYS HA H 64 4.111 4.111 3.954 0.157 19945 14357 1 15 . 1 1 64 64 CYS C C 64 174.972 174.972 176.102 -1.130 19945 14358 1 15 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.126 -0.637 19945 14359 1 15 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.412 0.171 19945 14360 1 15 . 1 1 64 64 CYS H H 64 9.091 9.091 8.636 0.455 19945 14361 1 15 . 1 1 65 65 ASP N N 65 120.298 120.298 119.160 1.138 19945 14362 1 15 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.374 0.025 19945 14363 1 15 . 1 1 65 65 ASP C C 65 179.000 179.000 177.856 1.144 19945 14364 1 15 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.835 0.297 19945 14365 1 15 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.381 0.842 19945 14366 1 15 . 1 1 65 65 ASP H H 65 7.093 7.093 8.448 -1.355 19945 14367 1 15 . 1 1 66 66 TRP N N 66 122.608 122.608 120.391 2.217 19945 14368 1 15 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.296 -0.080 19945 14369 1 15 . 1 1 66 66 TRP C C 66 176.930 176.930 177.658 -0.728 19945 14370 1 15 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.519 2.004 19945 14371 1 15 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.845 0.116 19945 14372 1 15 . 1 1 66 66 TRP H H 66 7.394 7.394 7.764 -0.370 19945 14373 1 15 . 1 1 67 67 ASP N N 67 118.860 118.860 118.655 0.205 19945 14374 1 15 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.449 0.076 19945 14375 1 15 . 1 1 67 67 ASP C C 67 179.579 179.579 177.675 1.904 19945 14376 1 15 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.898 0.443 19945 14377 1 15 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.622 1.778 19945 14378 1 15 . 1 1 67 67 ASP H H 67 8.087 8.087 7.858 0.229 19945 14379 1 15 . 1 1 68 68 ASP N N 68 116.220 116.220 118.456 -2.236 19945 14380 1 15 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.453 -0.097 19945 14381 1 15 . 1 1 68 68 ASP C C 68 176.873 176.873 176.893 -0.020 19945 14382 1 15 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.972 0.283 19945 14383 1 15 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.187 -0.380 19945 14384 1 15 . 1 1 68 68 ASP H H 68 8.056 8.056 8.040 0.016 19945 14385 1 15 . 1 1 69 69 PHE N N 69 120.493 120.493 117.460 3.033 19945 14386 1 15 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.495 -0.132 19945 14387 1 15 . 1 1 69 69 PHE C C 69 177.103 177.103 176.044 1.059 19945 14388 1 15 . 1 1 69 69 PHE CA C 69 58.929 58.929 58.608 0.321 19945 14389 1 15 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.532 0.998 19945 14390 1 15 . 1 1 69 69 PHE H H 69 7.659 7.659 7.566 0.093 19945 14391 1 15 . 1 1 70 70 PHE N N 70 122.293 122.293 120.422 1.871 19945 14392 1 15 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.246 0.772 19945 14393 1 15 . 1 1 70 70 PHE C C 70 174.396 174.396 174.704 -0.308 19945 14394 1 15 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.259 -2.136 19945 14395 1 15 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.461 -0.706 19945 14396 1 15 . 1 1 70 70 PHE H H 70 8.197 8.197 8.344 -0.147 19945 14397 1 15 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.329 0.069 19945 14398 1 15 . 1 1 71 71 PRO C C 71 179.118 179.118 177.316 1.802 19945 14399 1 15 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.984 1.383 19945 14400 1 15 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.166 -0.235 19945 14401 1 15 . 1 1 72 72 THR N N 72 114.461 114.461 113.091 1.370 19945 14402 1 15 . 1 1 72 72 THR HA H 72 3.816 3.816 4.219 -0.403 19945 14403 1 15 . 1 1 72 72 THR C C 72 176.498 176.498 176.722 -0.224 19945 14404 1 15 . 1 1 72 72 THR CA C 72 65.803 65.803 64.428 1.375 19945 14405 1 15 . 1 1 72 72 THR CB C 72 67.203 67.203 68.753 -1.550 19945 14406 1 15 . 1 1 72 72 THR H H 72 7.534 7.534 7.665 -0.131 19945 14407 1 15 . 1 1 73 73 LEU N N 73 124.812 124.812 122.267 2.545 19945 14408 1 15 . 1 1 73 73 LEU HA H 73 4.090 4.090 3.980 0.110 19945 14409 1 15 . 1 1 73 73 LEU C C 73 177.996 177.996 177.883 0.113 19945 14410 1 15 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.049 0.102 19945 14411 1 15 . 1 1 73 73 LEU CB C 73 43.786 43.786 41.525 2.261 19945 14412 1 15 . 1 1 73 73 LEU H H 73 8.123 8.123 8.077 0.046 19945 14413 1 15 . 1 1 74 74 GLU N N 74 111.877 111.877 113.880 -2.003 19945 14414 1 15 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.203 -0.378 19945 14415 1 15 . 1 1 74 74 GLU C C 74 176.930 176.930 177.113 -0.183 19945 14416 1 15 . 1 1 74 74 GLU CA C 74 57.675 57.675 57.575 0.099 19945 14417 1 15 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.295 0.726 19945 14418 1 15 . 1 1 74 74 GLU H H 74 7.933 7.933 7.551 0.382 19945 14419 1 15 . 1 1 75 75 GLU N N 75 116.571 116.571 118.269 -1.698 19945 14420 1 15 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.236 0.111 19945 14421 1 15 . 1 1 75 75 GLU C C 75 177.045 177.045 176.821 0.224 19945 14422 1 15 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.588 -0.562 19945 14423 1 15 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.750 -0.241 19945 14424 1 15 . 1 1 75 75 GLU H H 75 7.659 7.659 7.764 -0.105 19945 14425 1 15 . 1 1 76 76 ILE N N 76 123.080 123.080 121.326 1.754 19945 14426 1 15 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.702 0.075 19945 14427 1 15 . 1 1 76 76 ILE C C 76 174.656 174.656 174.488 0.168 19945 14428 1 15 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.893 -0.819 19945 14429 1 15 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.545 0.460 19945 14430 1 15 . 1 1 76 76 ILE H H 76 7.468 7.468 7.558 -0.089 19945 14431 1 15 . 1 1 77 77 ASP N N 77 126.540 126.540 125.065 1.475 19945 14432 1 15 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.520 0.293 19945 14433 1 15 . 1 1 77 77 ASP C C 77 176.614 176.614 174.837 1.777 19945 14434 1 15 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.749 -0.608 19945 14435 1 15 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.059 -1.194 19945 14436 1 15 . 1 1 77 77 ASP H H 77 8.605 8.605 8.644 -0.039 19945 14437 1 15 . 1 1 78 78 PHE N N 78 124.583 124.583 122.303 2.280 19945 14438 1 15 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.690 -0.530 19945 14439 1 15 . 1 1 78 78 PHE C C 78 175.347 175.347 175.308 0.039 19945 14440 1 15 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.264 2.877 19945 14441 1 15 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.673 0.495 19945 14442 1 15 . 1 1 78 78 PHE H H 78 8.053 8.053 7.727 0.326 19945 14443 1 15 . 1 1 79 79 ASN N N 79 121.321 121.321 121.071 0.250 19945 14444 1 15 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.560 -0.043 19945 14445 1 15 . 1 1 79 79 ASN C C 79 176.815 176.815 176.148 0.667 19945 14446 1 15 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.419 1.033 19945 14447 1 15 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.253 0.486 19945 14448 1 15 . 1 1 79 79 ASN H H 79 8.695 8.695 8.524 0.171 19945 14449 1 15 . 1 1 80 80 GLY N N 80 114.150 114.150 112.527 1.623 19945 14450 1 15 . 1 1 80 80 GLY C C 80 174.195 174.195 174.938 -0.743 19945 14451 1 15 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.468 0.178 19945 14452 1 15 . 1 1 80 80 GLY H H 80 8.646 8.646 8.624 0.022 19945 14453 1 15 . 1 1 81 81 LYS N N 81 119.318 119.318 120.585 -1.267 19945 14454 1 15 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.516 0.521 19945 14455 1 15 . 1 1 81 81 LYS C C 81 176.268 176.268 175.441 0.827 19945 14456 1 15 . 1 1 81 81 LYS CA C 81 55.996 55.996 55.380 0.616 19945 14457 1 15 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.551 0.404 19945 14458 1 15 . 1 1 81 81 LYS H H 81 8.295 8.295 7.953 0.342 19945 14459 1 15 . 1 1 82 82 LEU N N 82 127.000 127.000 122.171 4.829 19945 14460 1 15 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.134 0.096 19945 14461 1 15 . 1 1 82 82 LEU C C 82 175.347 175.347 176.205 -0.858 19945 14462 1 15 . 1 1 82 82 LEU CA C 82 53.804 53.804 53.974 -0.170 19945 14463 1 15 . 1 1 82 82 LEU CB C 82 44.151 44.151 42.844 1.307 19945 14464 1 15 . 1 1 82 82 LEU H H 82 8.407 8.407 8.634 -0.227 19945 14465 1 15 . 1 1 83 83 VAL N N 83 121.665 121.665 122.249 -0.584 19945 14466 1 15 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.200 0.640 19945 14467 1 15 . 1 1 83 83 VAL C C 83 173.417 173.417 173.982 -0.565 19945 14468 1 15 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.528 -1.326 19945 14469 1 15 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.018 0.330 19945 14470 1 15 . 1 1 83 83 VAL H H 83 8.960 8.960 9.129 -0.169 19945 14471 1 15 . 1 1 84 84 ALA N N 84 128.017 128.017 126.002 2.015 19945 14472 1 15 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.584 -0.251 19945 14473 1 15 . 1 1 84 84 ALA C C 84 175.231 175.231 175.566 -0.335 19945 14474 1 15 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.152 0.276 19945 14475 1 15 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.043 1.085 19945 14476 1 15 . 1 1 84 84 ALA H H 84 9.021 9.021 9.031 -0.010 19945 14477 1 15 . 1 1 85 85 LEU N N 85 124.220 124.220 121.324 2.896 19945 14478 1 15 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.621 -0.009 19945 14479 1 15 . 1 1 85 85 LEU C C 85 174.454 174.454 176.008 -1.554 19945 14480 1 15 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.189 -0.216 19945 14481 1 15 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.676 1.236 19945 14482 1 15 . 1 1 85 85 LEU H H 85 11.134 11.134 8.885 2.249 19945 14483 1 15 . 1 1 86 86 PHE N N 86 114.461 114.461 117.992 -3.531 19945 14484 1 15 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.194 0.028 19945 14485 1 15 . 1 1 86 86 PHE C C 86 173.619 173.619 173.858 -0.239 19945 14486 1 15 . 1 1 86 86 PHE CA C 86 54.678 54.678 54.935 -0.257 19945 14487 1 15 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.873 1.107 19945 14488 1 15 . 1 1 86 86 PHE H H 86 8.829 8.829 8.974 -0.145 19945 14489 1 15 . 1 1 87 87 GLY N N 87 104.437 104.437 106.516 -2.079 19945 14490 1 15 . 1 1 87 87 GLY C C 87 170.423 170.423 171.626 -1.203 19945 14491 1 15 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.052 0.878 19945 14492 1 15 . 1 1 87 87 GLY H H 87 8.496 8.496 8.950 -0.454 19945 14493 1 15 . 1 1 88 88 CYS N N 88 114.166 114.166 119.289 -5.123 19945 14494 1 15 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.741 1.262 19945 14495 1 15 . 1 1 88 88 CYS C C 88 174.425 174.425 173.588 0.837 19945 14496 1 15 . 1 1 88 88 CYS CA C 88 56.538 56.538 58.011 -1.474 19945 14497 1 15 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.386 -0.085 19945 14498 1 15 . 1 1 88 88 CYS H H 88 5.354 5.354 8.286 -2.932 19945 14499 1 15 . 1 1 89 89 GLY N N 89 109.463 109.463 110.183 -0.720 19945 14500 1 15 . 1 1 89 89 GLY C C 89 173.187 173.187 172.390 0.797 19945 14501 1 15 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.953 1.490 19945 14502 1 15 . 1 1 89 89 GLY H H 89 8.404 8.404 8.054 0.350 19945 14503 1 15 . 1 1 90 90 ASP N N 90 123.090 123.090 118.610 4.480 19945 14504 1 15 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.651 1.148 19945 14505 1 15 . 1 1 90 90 ASP C C 90 176.095 176.095 175.356 0.739 19945 14506 1 15 . 1 1 90 90 ASP CA C 90 52.553 52.553 52.873 -0.320 19945 14507 1 15 . 1 1 90 90 ASP CB C 90 43.255 43.255 42.647 0.609 19945 14508 1 15 . 1 1 90 90 ASP H H 90 8.698 8.698 8.411 0.287 19945 14509 1 15 . 1 1 91 91 GLN N N 91 123.780 123.780 123.262 0.518 19945 14510 1 15 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.275 -0.579 19945 14511 1 15 . 1 1 91 91 GLN C C 91 173.639 173.639 174.718 -1.079 19945 14512 1 15 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.003 2.057 19945 14513 1 15 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.542 0.899 19945 14514 1 15 . 1 1 91 91 GLN H H 91 9.675 9.675 8.576 1.099 19945 14515 1 15 . 1 1 92 92 GLU N N 92 118.631 118.631 120.546 -1.915 19945 14516 1 15 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.446 0.145 19945 14517 1 15 . 1 1 92 92 GLU C C 92 177.247 177.247 177.100 0.147 19945 14518 1 15 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.196 -0.860 19945 14519 1 15 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.977 -0.206 19945 14520 1 15 . 1 1 92 92 GLU H H 92 8.396 8.396 8.869 -0.473 19945 14521 1 15 . 1 1 93 93 ASP N N 93 120.889 120.889 118.788 2.101 19945 14522 1 15 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.674 -0.392 19945 14523 1 15 . 1 1 93 93 ASP C C 93 175.986 175.986 177.276 -1.290 19945 14524 1 15 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.995 0.430 19945 14525 1 15 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.373 -2.123 19945 14526 1 15 . 1 1 93 93 ASP H H 93 7.779 7.779 8.716 -0.937 19945 14527 1 15 . 1 1 94 94 TYR N N 94 117.028 117.028 119.731 -2.703 19945 14528 1 15 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.796 -0.111 19945 14529 1 15 . 1 1 94 94 TYR C C 94 175.519 175.519 177.237 -1.718 19945 14530 1 15 . 1 1 94 94 TYR CA C 94 56.379 56.379 58.021 -1.642 19945 14531 1 15 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.897 -1.055 19945 14532 1 15 . 1 1 94 94 TYR H H 94 6.693 6.693 8.828 -2.135 19945 14533 1 15 . 1 1 95 95 ALA N N 95 121.950 121.950 124.121 -2.171 19945 14534 1 15 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.193 -0.037 19945 14535 1 15 . 1 1 95 95 ALA C C 95 179.723 179.723 178.971 0.752 19945 14536 1 15 . 1 1 95 95 ALA CA C 95 55.923 55.923 55.228 0.695 19945 14537 1 15 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.640 1.915 19945 14538 1 15 . 1 1 95 95 ALA H H 95 6.962 6.962 8.411 -1.449 19945 14539 1 15 . 1 1 96 96 GLU N N 96 115.884 115.884 118.785 -2.901 19945 14540 1 15 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.048 0.258 19945 14541 1 15 . 1 1 96 96 GLU C C 96 174.684 174.684 177.850 -3.166 19945 14542 1 15 . 1 1 96 96 GLU CA C 96 56.985 56.985 58.908 -1.923 19945 14543 1 15 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.248 -0.072 19945 14544 1 15 . 1 1 96 96 GLU H H 96 9.327 9.327 8.908 0.419 19945 14545 1 15 . 1 1 97 97 TYR N N 97 121.836 121.836 114.515 7.321 19945 14546 1 15 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.715 0.694 19945 14547 1 15 . 1 1 97 97 TYR C C 97 179.953 179.953 175.495 4.458 19945 14548 1 15 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.054 0.388 19945 14549 1 15 . 1 1 97 97 TYR CB C 97 41.292 41.292 37.908 3.384 19945 14550 1 15 . 1 1 97 97 TYR H H 97 8.175 8.175 7.733 0.442 19945 14551 1 15 . 1 1 98 98 PHE N N 98 124.580 124.580 123.739 0.841 19945 14552 1 15 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.522 0.615 19945 14553 1 15 . 1 1 98 98 PHE C C 98 174.742 174.742 175.413 -0.671 19945 14554 1 15 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.570 -0.907 19945 14555 1 15 . 1 1 98 98 PHE CB C 98 38.655 38.655 38.864 -0.209 19945 14556 1 15 . 1 1 98 98 PHE H H 98 7.889 7.889 7.702 0.187 19945 14557 1 15 . 1 1 99 99 CYS N N 99 120.329 120.329 122.999 -2.670 19945 14558 1 15 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.772 -0.120 19945 14559 1 15 . 1 1 99 99 CYS C C 99 175.087 175.087 175.607 -0.520 19945 14560 1 15 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.177 2.699 19945 14561 1 15 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.242 -1.242 19945 14562 1 15 . 1 1 99 99 CYS H H 99 8.617 8.617 8.888 -0.271 19945 14563 1 15 . 1 1 100 100 ASP N N 100 116.705 116.705 121.798 -5.093 19945 14564 1 15 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.330 -0.385 19945 14565 1 15 . 1 1 100 100 ASP C C 100 178.888 178.888 176.892 1.996 19945 14566 1 15 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.475 0.653 19945 14567 1 15 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.111 0.839 19945 14568 1 15 . 1 1 100 100 ASP H H 100 7.104 7.104 8.268 -1.164 19945 14569 1 15 . 1 1 101 101 ALA N N 101 118.631 118.631 121.442 -2.811 19945 14570 1 15 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.300 -0.149 19945 14571 1 15 . 1 1 101 101 ALA C C 101 178.600 178.600 179.370 -0.770 19945 14572 1 15 . 1 1 101 101 ALA CA C 101 54.397 54.397 53.900 0.497 19945 14573 1 15 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.658 0.152 19945 14574 1 15 . 1 1 101 101 ALA H H 101 8.716 8.716 7.620 1.096 19945 14575 1 15 . 1 1 102 102 LEU N N 102 115.083 115.083 119.370 -4.287 19945 14576 1 15 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.916 -0.302 19945 14577 1 15 . 1 1 102 102 LEU C C 102 179.573 179.573 179.074 0.499 19945 14578 1 15 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.620 0.224 19945 14579 1 15 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.592 1.122 19945 14580 1 15 . 1 1 102 102 LEU H H 102 7.171 7.171 7.896 -0.725 19945 14581 1 15 . 1 1 103 103 GLY N N 103 104.501 104.501 104.946 -0.445 19945 14582 1 15 . 1 1 103 103 GLY C C 103 175.145 175.145 175.376 -0.231 19945 14583 1 15 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.656 -0.948 19945 14584 1 15 . 1 1 103 103 GLY H H 103 7.365 7.365 7.887 -0.522 19945 14585 1 15 . 1 1 104 104 THR N N 104 118.860 118.860 118.342 0.518 19945 14586 1 15 . 1 1 104 104 THR HA H 104 3.737 3.737 3.908 -0.171 19945 14587 1 15 . 1 1 104 104 THR C C 104 176.354 176.354 176.314 0.040 19945 14588 1 15 . 1 1 104 104 THR CA C 104 65.799 65.799 66.220 -0.421 19945 14589 1 15 . 1 1 104 104 THR CB C 104 67.961 67.961 68.722 -0.761 19945 14590 1 15 . 1 1 104 104 THR H H 104 7.343 7.343 7.325 0.018 19945 14591 1 15 . 1 1 105 105 ILE N N 105 118.663 118.663 121.264 -2.601 19945 14592 1 15 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.472 0.032 19945 14593 1 15 . 1 1 105 105 ILE C C 105 177.391 177.391 177.123 0.268 19945 14594 1 15 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.536 1.014 19945 14595 1 15 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.410 0.341 19945 14596 1 15 . 1 1 105 105 ILE H H 105 7.589 7.589 7.422 0.167 19945 14597 1 15 . 1 1 106 106 ARG N N 106 126.041 126.041 120.625 5.416 19945 14598 1 15 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.828 -0.248 19945 14599 1 15 . 1 1 106 106 ARG C C 106 176.614 176.614 177.997 -1.383 19945 14600 1 15 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.241 0.026 19945 14601 1 15 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.956 -2.639 19945 14602 1 15 . 1 1 106 106 ARG H H 106 7.307 7.307 7.648 -0.341 19945 14603 1 15 . 1 1 107 107 ASP N N 107 117.480 117.480 118.527 -1.047 19945 14604 1 15 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.439 -0.091 19945 14605 1 15 . 1 1 107 107 ASP C C 107 177.189 177.189 177.801 -0.612 19945 14606 1 15 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.811 -0.311 19945 14607 1 15 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.660 -0.986 19945 14608 1 15 . 1 1 107 107 ASP H H 107 8.202 8.202 8.106 0.096 19945 14609 1 15 . 1 1 108 108 ILE N N 108 117.715 117.715 118.163 -0.448 19945 14610 1 15 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.888 -0.032 19945 14611 1 15 . 1 1 108 108 ILE C C 108 178.427 178.427 177.490 0.937 19945 14612 1 15 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.579 0.398 19945 14613 1 15 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.762 0.689 19945 14614 1 15 . 1 1 108 108 ILE H H 108 7.107 7.107 7.276 -0.169 19945 14615 1 15 . 1 1 109 109 ILE N N 109 111.534 111.534 115.244 -3.710 19945 14616 1 15 . 1 1 109 109 ILE HA H 109 3.735 3.735 4.122 -0.387 19945 14617 1 15 . 1 1 109 109 ILE C C 109 177.305 177.305 177.362 -0.057 19945 14618 1 15 . 1 1 109 109 ILE CA C 109 64.605 64.605 63.469 1.136 19945 14619 1 15 . 1 1 109 109 ILE CB C 109 37.411 37.411 38.464 -1.053 19945 14620 1 15 . 1 1 109 109 ILE H H 109 7.501 7.501 8.076 -0.575 19945 14621 1 15 . 1 1 110 110 GLU N N 110 127.123 127.123 122.956 4.167 19945 14622 1 15 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.283 0.015 19945 14623 1 15 . 1 1 110 110 GLU C C 110 177.391 177.391 176.572 0.819 19945 14624 1 15 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.493 1.838 19945 14625 1 15 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.298 -0.450 19945 14626 1 15 . 1 1 110 110 GLU H H 110 8.867 8.867 8.513 0.354 19945 14627 1 15 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.324 0.292 19945 14628 1 15 . 1 1 111 111 PRO C C 111 177.417 177.417 177.480 -0.063 19945 14629 1 15 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.697 0.538 19945 14630 1 15 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.357 -0.322 19945 14631 1 15 . 1 1 112 112 ARG N N 112 114.612 114.612 115.454 -0.842 19945 14632 1 15 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.501 0.067 19945 14633 1 15 . 1 1 112 112 ARG C C 112 175.792 175.792 176.835 -1.043 19945 14634 1 15 . 1 1 112 112 ARG CA C 112 55.741 55.741 54.867 0.874 19945 14635 1 15 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.954 0.550 19945 14636 1 15 . 1 1 112 112 ARG H H 112 6.542 6.542 7.734 -1.192 19945 14637 1 15 . 1 1 113 113 GLY N N 113 106.474 106.474 106.936 -0.462 19945 14638 1 15 . 1 1 113 113 GLY C C 113 174.347 174.347 174.030 0.317 19945 14639 1 15 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.364 0.276 19945 14640 1 15 . 1 1 113 113 GLY H H 113 7.845 7.845 8.040 -0.195 19945 14641 1 15 . 1 1 114 114 ALA N N 114 122.280 122.280 123.804 -1.524 19945 14642 1 15 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.733 -0.454 19945 14643 1 15 . 1 1 114 114 ALA C C 114 176.785 176.785 177.134 -0.349 19945 14644 1 15 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.404 0.987 19945 14645 1 15 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.532 0.080 19945 14646 1 15 . 1 1 114 114 ALA H H 114 7.535 7.535 7.431 0.104 19945 14647 1 15 . 1 1 115 115 THR N N 115 120.909 120.909 120.499 0.410 19945 14648 1 15 . 1 1 115 115 THR HA H 115 4.478 4.478 4.654 -0.176 19945 14649 1 15 . 1 1 115 115 THR C C 115 172.963 172.963 173.521 -0.558 19945 14650 1 15 . 1 1 115 115 THR CA C 115 62.825 62.825 62.864 -0.039 19945 14651 1 15 . 1 1 115 115 THR CB C 115 69.501 69.501 69.638 -0.137 19945 14652 1 15 . 1 1 115 115 THR H H 115 7.902 7.902 8.834 -0.932 19945 14653 1 15 . 1 1 116 116 ILE N N 116 129.162 129.162 128.137 1.025 19945 14654 1 15 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.088 0.209 19945 14655 1 15 . 1 1 116 116 ILE C C 116 177.056 177.056 176.130 0.926 19945 14656 1 15 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.398 0.125 19945 14657 1 15 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.899 -1.599 19945 14658 1 15 . 1 1 116 116 ILE H H 116 8.784 8.784 8.559 0.225 19945 14659 1 15 . 1 1 117 117 VAL N N 117 122.981 122.981 121.455 1.526 19945 14660 1 15 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.696 -0.102 19945 14661 1 15 . 1 1 117 117 VAL C C 117 175.190 175.190 175.584 -0.394 19945 14662 1 15 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.946 -1.017 19945 14663 1 15 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.368 -2.005 19945 14664 1 15 . 1 1 117 117 VAL H H 117 8.812 8.812 8.784 0.028 19945 14665 1 15 . 1 1 118 118 GLY N N 118 108.558 108.558 106.614 1.944 19945 14666 1 15 . 1 1 118 118 GLY C C 118 175.792 175.792 174.636 1.156 19945 14667 1 15 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.849 1.897 19945 14668 1 15 . 1 1 118 118 GLY H H 118 9.297 9.297 9.037 0.260 19945 14669 1 15 . 1 1 119 119 HIS N N 119 118.402 118.402 119.231 -0.829 19945 14670 1 15 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.794 -0.022 19945 14671 1 15 . 1 1 119 119 HIS C C 119 175.866 175.866 175.490 0.376 19945 14672 1 15 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.614 -2.013 19945 14673 1 15 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.871 -1.015 19945 14674 1 15 . 1 1 119 119 HIS H H 119 8.901 8.901 8.363 0.538 19945 14675 1 15 . 1 1 120 120 TRP N N 120 124.300 124.300 127.672 -3.372 19945 14676 1 15 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.168 1.125 19945 14677 1 15 . 1 1 120 120 TRP C C 120 173.113 173.113 173.750 -0.637 19945 14678 1 15 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.831 -0.327 19945 14679 1 15 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.191 3.095 19945 14680 1 15 . 1 1 120 120 TRP H H 120 8.455 8.455 9.013 -0.558 19945 14681 1 15 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.833 -0.236 19945 14682 1 15 . 1 1 121 121 PRO C C 121 176.243 176.243 177.024 -0.781 19945 14683 1 15 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.750 0.700 19945 14684 1 15 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.854 -0.757 19945 14685 1 15 . 1 1 122 122 THR N N 122 110.568 110.568 114.154 -3.586 19945 14686 1 15 . 1 1 122 122 THR HA H 122 4.232 4.232 4.313 -0.081 19945 14687 1 15 . 1 1 122 122 THR C C 122 176.424 176.424 175.568 0.856 19945 14688 1 15 . 1 1 122 122 THR CA C 122 62.079 62.079 63.218 -1.139 19945 14689 1 15 . 1 1 122 122 THR CB C 122 68.758 68.758 69.503 -0.745 19945 14690 1 15 . 1 1 122 122 THR H H 122 7.560 7.560 8.473 -0.913 19945 14691 1 15 . 1 1 123 123 ALA N N 123 126.038 126.038 124.604 1.434 19945 14692 1 15 . 1 1 123 123 ALA HA H 123 4.269 4.269 4.017 0.252 19945 14693 1 15 . 1 1 123 123 ALA C C 123 178.862 178.862 177.400 1.462 19945 14694 1 15 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.691 1.191 19945 14695 1 15 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.255 1.029 19945 14696 1 15 . 1 1 123 123 ALA H H 123 7.144 7.144 8.302 -1.158 19945 14697 1 15 . 1 1 124 124 GLY N N 124 111.468 111.468 106.661 4.807 19945 14698 1 15 . 1 1 124 124 GLY C C 124 173.775 173.775 174.100 -0.325 19945 14699 1 15 . 1 1 124 124 GLY CA C 124 45.381 45.381 45.400 -0.019 19945 14700 1 15 . 1 1 124 124 GLY H H 124 9.058 9.058 8.078 0.980 19945 14701 1 15 . 1 1 125 125 TYR N N 125 119.088 119.088 122.919 -3.831 19945 14702 1 15 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.374 0.568 19945 14703 1 15 . 1 1 125 125 TYR C C 125 175.581 175.581 176.261 -0.680 19945 14704 1 15 . 1 1 125 125 TYR CA C 125 56.762 56.762 60.351 -3.589 19945 14705 1 15 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.772 0.778 19945 14706 1 15 . 1 1 125 125 TYR H H 125 8.008 8.008 8.336 -0.328 19945 14707 1 15 . 1 1 126 126 HIS N N 126 121.799 121.799 116.536 5.263 19945 14708 1 15 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.260 0.753 19945 14709 1 15 . 1 1 126 126 HIS C C 126 171.969 171.969 173.914 -1.945 19945 14710 1 15 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.477 -2.330 19945 14711 1 15 . 1 1 126 126 HIS CB C 126 28.387 28.387 28.357 0.030 19945 14712 1 15 . 1 1 126 126 HIS H H 126 9.512 9.512 8.607 0.905 19945 14713 1 15 . 1 1 127 127 PHE N N 127 117.258 117.258 117.727 -0.469 19945 14714 1 15 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.031 0.892 19945 14715 1 15 . 1 1 127 127 PHE C C 127 172.722 172.722 176.034 -3.312 19945 14716 1 15 . 1 1 127 127 PHE CA C 127 55.300 55.300 59.509 -4.209 19945 14717 1 15 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.443 0.312 19945 14718 1 15 . 1 1 127 127 PHE H H 127 7.397 7.397 7.390 0.007 19945 14719 1 15 . 1 1 128 128 GLU N N 128 120.484 120.484 117.804 2.680 19945 14720 1 15 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.310 0.053 19945 14721 1 15 . 1 1 128 128 GLU C C 128 176.033 176.033 175.058 0.975 19945 14722 1 15 . 1 1 128 128 GLU CA C 128 57.068 57.068 56.228 0.840 19945 14723 1 15 . 1 1 128 128 GLU CB C 128 31.832 31.832 31.918 -0.086 19945 14724 1 15 . 1 1 128 128 GLU H H 128 8.492 8.492 8.569 -0.077 19945 14725 1 15 . 1 1 129 129 ALA N N 129 123.500 123.500 120.959 2.541 19945 14726 1 15 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.683 0.015 19945 14727 1 15 . 1 1 129 129 ALA C C 129 174.016 174.016 175.873 -1.857 19945 14728 1 15 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.905 0.549 19945 14729 1 15 . 1 1 129 129 ALA CB C 129 22.003 22.003 19.474 2.529 19945 14730 1 15 . 1 1 129 129 ALA H H 129 9.155 9.155 8.018 1.137 19945 14731 1 15 . 1 1 130 130 SER N N 130 110.807 110.807 115.902 -5.095 19945 14732 1 15 . 1 1 130 130 SER HA H 130 4.942 4.942 4.656 0.286 19945 14733 1 15 . 1 1 130 130 SER C C 130 176.665 176.665 176.226 0.439 19945 14734 1 15 . 1 1 130 130 SER CA C 130 57.471 57.471 58.961 -1.490 19945 14735 1 15 . 1 1 130 130 SER CB C 130 67.205 67.205 63.729 3.476 19945 14736 1 15 . 1 1 130 130 SER H H 130 8.101 8.101 8.263 -0.162 19945 14737 1 15 . 1 1 131 131 LYS N N 131 129.963 129.963 127.339 2.624 19945 14738 1 15 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.237 0.212 19945 14739 1 15 . 1 1 131 131 LYS C C 131 176.533 176.533 177.841 -1.308 19945 14740 1 15 . 1 1 131 131 LYS CA C 131 56.900 56.900 57.864 -0.964 19945 14741 1 15 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.152 0.477 19945 14742 1 15 . 1 1 131 131 LYS H H 131 9.690 9.690 8.094 1.596 19945 14743 1 15 . 1 1 132 132 GLY N N 132 107.870 107.870 106.528 1.342 19945 14744 1 15 . 1 1 132 132 GLY C C 132 173.354 173.354 174.294 -0.940 19945 14745 1 15 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.520 0.126 19945 14746 1 15 . 1 1 132 132 GLY H H 132 9.187 9.187 7.645 1.542 19945 14747 1 15 . 1 1 133 133 LEU N N 133 119.088 119.088 120.814 -1.726 19945 14748 1 15 . 1 1 133 133 LEU HA H 133 4.643 4.643 3.664 0.979 19945 14749 1 15 . 1 1 133 133 LEU C C 133 177.748 177.748 176.119 1.629 19945 14750 1 15 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.294 0.182 19945 14751 1 15 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.894 -1.390 19945 14752 1 15 . 1 1 133 133 LEU H H 133 7.098 7.098 7.495 -0.397 19945 14753 1 15 . 1 1 134 134 ALA N N 134 125.720 125.720 126.674 -0.954 19945 14754 1 15 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.335 -0.098 19945 14755 1 15 . 1 1 134 134 ALA C C 134 176.695 176.695 177.079 -0.384 19945 14756 1 15 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.761 -0.473 19945 14757 1 15 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.787 -1.175 19945 14758 1 15 . 1 1 134 134 ALA H H 134 9.154 9.154 8.650 0.504 19945 14759 1 15 . 1 1 135 135 ASP N N 135 114.952 114.952 116.418 -1.466 19945 14760 1 15 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.701 -0.172 19945 14761 1 15 . 1 1 135 135 ASP C C 135 175.130 175.130 175.643 -0.513 19945 14762 1 15 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.066 -0.106 19945 14763 1 15 . 1 1 135 135 ASP CB C 135 40.528 40.528 42.957 -2.429 19945 14764 1 15 . 1 1 135 135 ASP H H 135 8.299 8.299 7.463 0.836 19945 14765 1 15 . 1 1 136 136 ASP N N 136 114.870 114.870 120.713 -5.843 19945 14766 1 15 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.287 0.048 19945 14767 1 15 . 1 1 136 136 ASP C C 136 176.303 176.303 176.810 -0.507 19945 14768 1 15 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.854 0.990 19945 14769 1 15 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.867 -0.003 19945 14770 1 15 . 1 1 136 136 ASP H H 136 8.433 8.433 8.685 -0.252 19945 14771 1 15 . 1 1 137 137 ASP N N 137 113.709 113.709 116.989 -3.280 19945 14772 1 15 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.669 0.162 19945 14773 1 15 . 1 1 137 137 ASP C C 137 176.514 176.514 175.153 1.361 19945 14774 1 15 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.600 -1.283 19945 14775 1 15 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.498 -0.040 19945 14776 1 15 . 1 1 137 137 ASP H H 137 8.232 8.232 8.248 -0.016 19945 14777 1 15 . 1 1 138 138 HIS N N 138 117.829 117.829 112.465 5.364 19945 14778 1 15 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.139 0.143 19945 14779 1 15 . 1 1 138 138 HIS C C 138 175.130 175.130 173.751 1.379 19945 14780 1 15 . 1 1 138 138 HIS CA C 138 56.599 56.599 54.474 2.125 19945 14781 1 15 . 1 1 138 138 HIS CB C 138 32.000 32.000 31.625 0.375 19945 14782 1 15 . 1 1 138 138 HIS H H 138 7.764 7.764 7.256 0.508 19945 14783 1 15 . 1 1 139 139 PHE N N 139 123.553 123.553 119.335 4.218 19945 14784 1 15 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.828 0.191 19945 14785 1 15 . 1 1 139 139 PHE C C 139 177.477 177.477 177.076 0.401 19945 14786 1 15 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.470 0.089 19945 14787 1 15 . 1 1 139 139 PHE CB C 139 42.872 42.872 40.118 2.754 19945 14788 1 15 . 1 1 139 139 PHE H H 139 9.955 9.955 9.546 0.409 19945 14789 1 15 . 1 1 140 140 VAL N N 140 119.420 119.420 120.616 -1.196 19945 14790 1 15 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.133 -0.455 19945 14791 1 15 . 1 1 140 140 VAL C C 140 173.023 173.023 175.158 -2.135 19945 14792 1 15 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.494 -1.377 19945 14793 1 15 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.669 -0.133 19945 14794 1 15 . 1 1 140 140 VAL H H 140 9.178 9.178 8.614 0.564 19945 14795 1 15 . 1 1 141 141 GLY N N 141 105.680 105.680 103.377 2.303 19945 14796 1 15 . 1 1 141 141 GLY C C 141 171.284 171.284 172.432 -1.148 19945 14797 1 15 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.904 0.817 19945 14798 1 15 . 1 1 141 141 GLY H H 141 6.837 6.837 7.428 -0.591 19945 14799 1 15 . 1 1 142 142 LEU N N 142 118.516 118.516 121.705 -3.189 19945 14800 1 15 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.741 -0.694 19945 14801 1 15 . 1 1 142 142 LEU C C 142 173.725 173.725 174.893 -1.168 19945 14802 1 15 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.062 1.642 19945 14803 1 15 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.616 -1.877 19945 14804 1 15 . 1 1 142 142 LEU H H 142 7.423 7.423 7.833 -0.410 19945 14805 1 15 . 1 1 143 143 ALA N N 143 128.382 128.382 129.912 -1.530 19945 14806 1 15 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.315 0.159 19945 14807 1 15 . 1 1 143 143 ALA C C 143 175.685 175.685 177.479 -1.794 19945 14808 1 15 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.899 -1.268 19945 14809 1 15 . 1 1 143 143 ALA CB C 143 19.847 19.847 18.968 0.879 19945 14810 1 15 . 1 1 143 143 ALA H H 143 5.414 5.414 7.637 -2.223 19945 14811 1 15 . 1 1 144 144 ILE N N 144 126.754 126.754 114.747 12.007 19945 14812 1 15 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.652 0.663 19945 14813 1 15 . 1 1 144 144 ILE C C 144 173.725 173.725 175.304 -1.579 19945 14814 1 15 . 1 1 144 144 ILE CA C 144 56.721 56.721 62.872 -6.151 19945 14815 1 15 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.051 -0.421 19945 14816 1 15 . 1 1 144 144 ILE H H 144 8.849 8.849 7.940 0.909 19945 14817 1 15 . 1 1 145 145 ASP N N 145 125.518 125.518 117.990 7.528 19945 14818 1 15 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.786 1.010 19945 14819 1 15 . 1 1 145 145 ASP C C 145 176.830 176.830 175.424 1.406 19945 14820 1 15 . 1 1 145 145 ASP CA C 145 52.553 52.553 52.741 -0.188 19945 14821 1 15 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.924 -0.422 19945 14822 1 15 . 1 1 145 145 ASP H H 145 8.088 8.088 7.736 0.352 19945 14823 1 15 . 1 1 146 146 GLU N N 146 125.475 125.475 119.140 6.335 19945 14824 1 15 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.623 0.040 19945 14825 1 15 . 1 1 146 146 GLU C C 146 177.132 177.132 174.827 2.305 19945 14826 1 15 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.075 0.198 19945 14827 1 15 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.236 0.014 19945 14828 1 15 . 1 1 146 146 GLU H H 146 8.390 8.390 8.665 -0.275 19945 14829 1 15 . 1 1 147 147 ASP N N 147 120.137 120.137 121.723 -1.586 19945 14830 1 15 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.489 0.078 19945 14831 1 15 . 1 1 147 147 ASP C C 147 178.126 178.126 174.952 3.174 19945 14832 1 15 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.154 3.847 19945 14833 1 15 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.055 1.195 19945 14834 1 15 . 1 1 147 147 ASP H H 147 8.599 8.599 8.359 0.240 19945 14835 1 15 . 1 1 148 148 ARG N N 148 115.655 115.655 124.271 -8.616 19945 14836 1 15 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.975 0.723 19945 14837 1 15 . 1 1 148 148 ARG C C 148 177.704 177.704 175.563 2.141 19945 14838 1 15 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.875 -3.915 19945 14839 1 15 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.668 2.146 19945 14840 1 15 . 1 1 148 148 ARG H H 148 9.762 9.762 8.117 1.645 19945 14841 1 15 . 1 1 149 149 GLN N N 149 116.313 116.313 115.743 0.570 19945 14842 1 15 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.889 1.410 19945 14843 1 15 . 1 1 149 149 GLN C C 149 175.142 175.142 173.504 1.638 19945 14844 1 15 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.130 -2.729 19945 14845 1 15 . 1 1 149 149 GLN CB C 149 30.841 30.841 28.012 2.829 19945 14846 1 15 . 1 1 149 149 GLN H H 149 7.622 7.622 7.872 -0.250 19945 14847 1 15 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.330 0.351 19945 14848 1 15 . 1 1 150 150 PRO C C 150 179.483 179.483 175.770 3.713 19945 14849 1 15 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.331 1.995 19945 14850 1 15 . 1 1 150 150 PRO CB C 150 30.652 30.652 31.538 -0.886 19945 14851 1 15 . 1 1 151 151 GLU N N 151 122.981 122.981 123.638 -0.657 19945 14852 1 15 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.475 -0.074 19945 14853 1 15 . 1 1 151 151 GLU C C 151 177.041 177.041 175.562 1.479 19945 14854 1 15 . 1 1 151 151 GLU CA C 151 58.398 58.398 55.424 2.974 19945 14855 1 15 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.973 -4.391 19945 14856 1 15 . 1 1 151 151 GLU H H 151 10.520 10.520 8.395 2.125 19945 14857 1 15 . 1 1 152 152 LEU N N 152 120.119 120.119 119.764 0.355 19945 14858 1 15 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.079 0.612 19945 14859 1 15 . 1 1 152 152 LEU C C 152 177.222 177.222 177.028 0.194 19945 14860 1 15 . 1 1 152 152 LEU CA C 152 54.309 54.309 55.575 -1.266 19945 14861 1 15 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.023 1.912 19945 14862 1 15 . 1 1 152 152 LEU H H 152 7.589 7.589 8.858 -1.269 19945 14863 1 15 . 1 1 153 153 THR N N 153 119.637 119.637 115.439 4.198 19945 14864 1 15 . 1 1 153 153 THR HA H 153 3.592 3.592 4.151 -0.559 19945 14865 1 15 . 1 1 153 153 THR C C 153 174.178 174.178 176.393 -2.215 19945 14866 1 15 . 1 1 153 153 THR CA C 153 67.960 67.960 66.106 1.854 19945 14867 1 15 . 1 1 153 153 THR CB C 153 69.023 69.023 68.861 0.162 19945 14868 1 15 . 1 1 153 153 THR H H 153 7.469 7.469 8.194 -0.725 19945 14869 1 15 . 1 1 154 154 ALA N N 154 123.665 123.665 123.070 0.595 19945 14870 1 15 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.232 -0.344 19945 14871 1 15 . 1 1 154 154 ALA C C 154 180.417 180.417 179.532 0.885 19945 14872 1 15 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.909 1.629 19945 14873 1 15 . 1 1 154 154 ALA CB C 154 17.222 17.222 17.975 -0.753 19945 14874 1 15 . 1 1 154 154 ALA H H 154 9.077 9.077 8.290 0.787 19945 14875 1 15 . 1 1 155 155 GLU N N 155 119.661 119.661 118.793 0.868 19945 14876 1 15 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.048 0.204 19945 14877 1 15 . 1 1 155 155 GLU C C 155 178.518 178.518 179.217 -0.699 19945 14878 1 15 . 1 1 155 155 GLU CA C 155 58.818 58.818 60.160 -1.342 19945 14879 1 15 . 1 1 155 155 GLU CB C 155 29.707 29.707 28.881 0.826 19945 14880 1 15 . 1 1 155 155 GLU H H 155 8.647 8.647 8.870 -0.223 19945 14881 1 15 . 1 1 156 156 ARG N N 156 120.739 120.739 119.718 1.021 19945 14882 1 15 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.091 0.127 19945 14883 1 15 . 1 1 156 156 ARG C C 156 177.252 177.252 178.618 -1.366 19945 14884 1 15 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.098 1.371 19945 14885 1 15 . 1 1 156 156 ARG CB C 156 31.023 31.023 29.819 1.204 19945 14886 1 15 . 1 1 156 156 ARG H H 156 8.129 8.129 7.465 0.664 19945 14887 1 15 . 1 1 157 157 VAL N N 157 117.372 117.372 119.785 -2.413 19945 14888 1 15 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.462 -0.142 19945 14889 1 15 . 1 1 157 157 VAL C C 157 177.192 177.192 177.887 -0.695 19945 14890 1 15 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.500 0.900 19945 14891 1 15 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.246 0.586 19945 14892 1 15 . 1 1 157 157 VAL H H 157 8.578 8.578 7.898 0.680 19945 14893 1 15 . 1 1 158 158 GLU N N 158 118.631 118.631 121.077 -2.446 19945 14894 1 15 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.207 -0.010 19945 14895 1 15 . 1 1 158 158 GLU C C 158 179.995 179.995 179.328 0.667 19945 14896 1 15 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.795 -0.058 19945 14897 1 15 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.464 -0.287 19945 14898 1 15 . 1 1 158 158 GLU H H 158 8.046 8.046 8.518 -0.472 19945 14899 1 15 . 1 1 159 159 LYS N N 159 118.860 118.860 119.876 -1.016 19945 14900 1 15 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.070 0.116 19945 14901 1 15 . 1 1 159 159 LYS C C 159 179.844 179.844 179.036 0.808 19945 14902 1 15 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.571 0.424 19945 14903 1 15 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.537 1.155 19945 14904 1 15 . 1 1 159 159 LYS H H 159 8.522 8.522 8.124 0.398 19945 14905 1 15 . 1 1 160 160 TRP N N 160 125.100 125.100 121.796 3.304 19945 14906 1 15 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.495 -0.125 19945 14907 1 15 . 1 1 160 160 TRP C C 160 178.006 178.006 177.860 0.146 19945 14908 1 15 . 1 1 160 160 TRP CA C 160 62.814 62.814 62.117 0.697 19945 14909 1 15 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.406 -0.614 19945 14910 1 15 . 1 1 160 160 TRP H H 160 9.076 9.076 8.508 0.568 19945 14911 1 15 . 1 1 161 161 VAL N N 161 118.402 118.402 119.361 -0.959 19945 14912 1 15 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.077 0.293 19945 14913 1 15 . 1 1 161 161 VAL C C 161 179.392 179.392 178.018 1.374 19945 14914 1 15 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.947 0.057 19945 14915 1 15 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.491 -1.141 19945 14916 1 15 . 1 1 161 161 VAL H H 161 9.024 9.024 8.702 0.322 19945 14917 1 15 . 1 1 162 162 LYS N N 162 123.209 123.209 119.929 3.280 19945 14918 1 15 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.852 0.150 19945 14919 1 15 . 1 1 162 162 LYS C C 162 178.759 178.759 179.028 -0.269 19945 14920 1 15 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.230 0.142 19945 14921 1 15 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.171 0.193 19945 14922 1 15 . 1 1 162 162 LYS H H 162 7.820 7.820 8.137 -0.317 19945 14923 1 15 . 1 1 163 163 GLN N N 163 121.722 121.722 118.412 3.310 19945 14924 1 15 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.235 -0.045 19945 14925 1 15 . 1 1 163 163 GLN C C 163 179.935 179.935 178.836 1.099 19945 14926 1 15 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.802 0.924 19945 14927 1 15 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.918 0.104 19945 14928 1 15 . 1 1 163 163 GLN H H 163 8.126 8.126 7.934 0.192 19945 14929 1 15 . 1 1 164 164 ILE N N 164 114.390 114.390 116.026 -1.636 19945 14930 1 15 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.730 0.260 19945 14931 1 15 . 1 1 164 164 ILE C C 164 178.156 178.156 177.761 0.395 19945 14932 1 15 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.288 0.888 19945 14933 1 15 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.009 0.669 19945 14934 1 15 . 1 1 164 164 ILE H H 164 9.110 9.110 8.313 0.797 19945 14935 1 15 . 1 1 165 165 SER N N 165 119.660 119.660 117.707 1.953 19945 14936 1 15 . 1 1 165 165 SER HA H 165 3.976 3.976 3.991 -0.015 19945 14937 1 15 . 1 1 165 165 SER C C 165 176.438 176.438 176.852 -0.414 19945 14938 1 15 . 1 1 165 165 SER CA C 165 63.180 63.180 62.829 0.351 19945 14939 1 15 . 1 1 165 165 SER CB C 165 62.383 62.383 62.645 -0.263 19945 14940 1 15 . 1 1 165 165 SER H H 165 8.278 8.278 8.111 0.167 19945 14941 1 15 . 1 1 166 166 GLU N N 166 122.290 122.290 121.723 0.567 19945 14942 1 15 . 1 1 166 166 GLU HA H 166 4.210 4.210 3.933 0.277 19945 14943 1 15 . 1 1 166 166 GLU C C 166 179.965 179.965 179.008 0.957 19945 14944 1 15 . 1 1 166 166 GLU CA C 166 59.195 59.195 59.333 -0.138 19945 14945 1 15 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.375 -0.131 19945 14946 1 15 . 1 1 166 166 GLU H H 166 7.345 7.345 7.741 -0.396 19945 14947 1 15 . 1 1 167 167 GLU N N 167 120.787 120.787 119.655 1.132 19945 14948 1 15 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.938 0.001 19945 14949 1 15 . 1 1 167 167 GLU C C 167 178.518 178.518 178.109 0.409 19945 14950 1 15 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.737 1.263 19945 14951 1 15 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.825 0.975 19945 14952 1 15 . 1 1 167 167 GLU H H 167 8.413 8.413 7.960 0.453 19945 14953 1 15 . 1 1 168 168 LEU N N 168 115.420 115.420 115.916 -0.496 19945 14954 1 15 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.269 -0.132 19945 14955 1 15 . 1 1 168 168 LEU C C 168 175.896 175.896 176.515 -0.619 19945 14956 1 15 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.779 0.000 19945 14957 1 15 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.269 1.031 19945 14958 1 15 . 1 1 168 168 LEU H H 168 8.553 8.553 7.847 0.706 19945 14959 1 15 . 1 1 169 169 HIS N N 169 113.347 113.347 112.914 0.433 19945 14960 1 15 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.251 0.100 19945 14961 1 15 . 1 1 169 169 HIS C C 169 175.835 175.835 175.332 0.503 19945 14962 1 15 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.386 -1.113 19945 14963 1 15 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.738 -1.016 19945 14964 1 15 . 1 1 169 169 HIS H H 169 7.550 7.550 7.416 0.134 19945 14965 1 15 . 1 1 170 170 LEU N N 170 117.250 117.250 116.750 0.500 19945 14966 1 15 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.212 -0.209 19945 14967 1 15 . 1 1 170 170 LEU C C 170 178.096 178.096 177.763 0.333 19945 14968 1 15 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.516 1.452 19945 14969 1 15 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.805 0.053 19945 14970 1 15 . 1 1 170 170 LEU H H 170 8.069 8.069 8.021 0.049 19945 14971 1 15 . 1 1 171 171 ASP N N 171 117.300 117.300 120.324 -3.024 19945 14972 1 15 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.262 0.073 19945 14973 1 15 . 1 1 171 171 ASP C C 171 177.915 177.915 177.936 -0.021 19945 14974 1 15 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.110 -1.420 19945 14975 1 15 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.694 -0.634 19945 14976 1 15 . 1 1 171 171 ASP H H 171 8.732 8.732 8.286 0.446 19945 14977 1 15 . 1 1 172 172 GLU N N 172 119.203 119.203 117.476 1.727 19945 14978 1 15 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.146 0.081 19945 14979 1 15 . 1 1 172 172 GLU C C 172 178.277 178.277 178.083 0.194 19945 14980 1 15 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.760 -0.628 19945 14981 1 15 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.323 0.677 19945 14982 1 15 . 1 1 172 172 GLU H H 172 7.804 7.804 8.840 -1.036 19945 14983 1 15 . 1 1 173 173 ILE N N 173 119.519 119.519 117.314 2.205 19945 14984 1 15 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.038 0.015 19945 14985 1 15 . 1 1 173 173 ILE C C 173 178.006 178.006 178.380 -0.374 19945 14986 1 15 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.848 -0.248 19945 14987 1 15 . 1 1 173 173 ILE CB C 173 39.000 39.000 38.953 0.048 19945 14988 1 15 . 1 1 173 173 ILE H H 173 7.787 7.787 7.557 0.230 19945 14989 1 15 . 1 1 174 174 LEU N N 174 121.260 121.260 118.638 2.622 19945 14990 1 15 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.179 0.107 19945 14991 1 15 . 1 1 174 174 LEU C C 174 177.704 177.704 178.164 -0.460 19945 14992 1 15 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.657 -1.384 19945 14993 1 15 . 1 1 174 174 LEU CB C 174 42.459 42.459 41.677 0.782 19945 14994 1 15 . 1 1 174 174 LEU H H 174 8.241 8.241 8.178 0.063 19945 14995 1 15 . 1 1 175 175 ASN N N 175 118.280 118.280 117.738 0.542 19945 14996 1 15 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.553 0.276 19945 14997 1 15 . 1 1 175 175 ASN C C 175 173.846 173.846 175.619 -1.773 19945 14998 1 15 . 1 1 175 175 ASN CA C 175 53.222 53.222 53.640 -0.418 19945 14999 1 15 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.339 -0.068 19945 15000 1 15 . 1 1 175 175 ASN H H 175 7.883 7.883 8.483 -0.600 19945 15001 1 16 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.497 -0.245 19945 15002 1 16 . 1 1 2 2 ALA C C 2 174.479 174.479 177.556 -3.077 19945 15003 1 16 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.732 0.736 19945 15004 1 16 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.622 -0.455 19945 15005 1 16 . 1 1 3 3 ILE N N 3 116.571 116.571 114.709 1.862 19945 15006 1 16 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.750 -0.205 19945 15007 1 16 . 1 1 3 3 ILE C C 3 175.806 175.806 175.830 -0.024 19945 15008 1 16 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.361 1.833 19945 15009 1 16 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.751 -0.341 19945 15010 1 16 . 1 1 3 3 ILE H H 3 8.456 8.456 8.716 -0.260 19945 15011 1 16 . 1 1 4 4 THR N N 4 115.734 115.734 118.847 -3.113 19945 15012 1 16 . 1 1 4 4 THR HA H 4 5.124 5.124 5.017 0.107 19945 15013 1 16 . 1 1 4 4 THR C C 4 172.410 172.410 173.259 -0.849 19945 15014 1 16 . 1 1 4 4 THR CA C 4 61.724 61.724 61.385 0.339 19945 15015 1 16 . 1 1 4 4 THR CB C 4 70.059 70.059 70.362 -0.303 19945 15016 1 16 . 1 1 4 4 THR H H 4 8.244 8.244 8.203 0.041 19945 15017 1 16 . 1 1 5 5 GLY N N 5 116.016 116.016 113.033 2.983 19945 15018 1 16 . 1 1 5 5 GLY C C 5 171.077 171.077 172.516 -1.439 19945 15019 1 16 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.183 0.326 19945 15020 1 16 . 1 1 5 5 GLY H H 5 8.554 8.554 8.996 -0.442 19945 15021 1 16 . 1 1 6 6 ILE N N 6 126.504 126.504 126.900 -0.396 19945 15022 1 16 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.625 0.826 19945 15023 1 16 . 1 1 6 6 ILE C C 6 175.245 175.245 174.502 0.743 19945 15024 1 16 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.531 -0.613 19945 15025 1 16 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.704 0.504 19945 15026 1 16 . 1 1 6 6 ILE H H 6 8.719 8.719 8.884 -0.165 19945 15027 1 16 . 1 1 7 7 PHE N N 7 127.559 127.559 126.827 0.732 19945 15028 1 16 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.175 0.438 19945 15029 1 16 . 1 1 7 7 PHE C C 7 174.634 174.634 174.999 -0.365 19945 15030 1 16 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.796 -1.133 19945 15031 1 16 . 1 1 7 7 PHE CB C 7 41.688 41.688 39.700 1.988 19945 15032 1 16 . 1 1 7 7 PHE H H 7 9.609 9.609 9.499 0.110 19945 15033 1 16 . 1 1 8 8 PHE N N 8 120.006 120.006 124.132 -4.126 19945 15034 1 16 . 1 1 8 8 PHE HA H 8 6.224 6.224 4.931 1.293 19945 15035 1 16 . 1 1 8 8 PHE C C 8 171.212 171.212 175.393 -4.181 19945 15036 1 16 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.896 -1.217 19945 15037 1 16 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.740 0.781 19945 15038 1 16 . 1 1 8 8 PHE H H 8 8.545 8.545 9.135 -0.590 19945 15039 1 16 . 1 1 9 9 GLY N N 9 109.650 109.650 111.874 -2.224 19945 15040 1 16 . 1 1 9 9 GLY C C 9 172.512 172.512 172.599 -0.087 19945 15041 1 16 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.932 0.386 19945 15042 1 16 . 1 1 9 9 GLY H H 9 7.701 7.701 8.085 -0.384 19945 15043 1 16 . 1 1 10 10 SER N N 10 115.953 115.953 118.706 -2.753 19945 15044 1 16 . 1 1 10 10 SER HA H 10 5.001 5.001 4.916 0.085 19945 15045 1 16 . 1 1 10 10 SER C C 10 173.439 173.439 173.270 0.169 19945 15046 1 16 . 1 1 10 10 SER CA C 10 58.308 58.308 57.480 0.828 19945 15047 1 16 . 1 1 10 10 SER CB C 10 66.423 66.423 66.907 -0.484 19945 15048 1 16 . 1 1 10 10 SER H H 10 8.634 8.634 8.238 0.396 19945 15049 1 16 . 1 1 11 11 ASP N N 11 104.000 104.000 121.342 -17.342 19945 15050 1 16 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.627 0.347 19945 15051 1 16 . 1 1 11 11 ASP C C 11 179.108 179.108 176.827 2.281 19945 15052 1 16 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.116 0.433 19945 15053 1 16 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.125 -1.025 19945 15054 1 16 . 1 1 11 11 ASP H H 11 11.201 11.201 8.725 2.476 19945 15055 1 16 . 1 1 12 12 THR N N 12 112.000 112.000 113.320 -1.320 19945 15056 1 16 . 1 1 12 12 THR HA H 12 4.804 4.804 4.447 0.357 19945 15057 1 16 . 1 1 12 12 THR C C 12 175.080 175.080 175.984 -0.904 19945 15058 1 16 . 1 1 12 12 THR CA C 12 60.237 60.237 62.800 -2.563 19945 15059 1 16 . 1 1 12 12 THR CB C 12 68.567 68.567 69.178 -0.611 19945 15060 1 16 . 1 1 12 12 THR H H 12 9.311 9.311 8.586 0.725 19945 15061 1 16 . 1 1 13 13 GLY N N 13 112.221 112.221 110.116 2.105 19945 15062 1 16 . 1 1 13 13 GLY C C 13 176.690 176.690 174.818 1.872 19945 15063 1 16 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.847 1.453 19945 15064 1 16 . 1 1 13 13 GLY H H 13 8.000 8.000 8.582 -0.582 19945 15065 1 16 . 1 1 14 14 ASN N N 14 128.520 128.520 118.855 9.665 19945 15066 1 16 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.490 0.136 19945 15067 1 16 . 1 1 14 14 ASN C C 14 178.888 178.888 176.911 1.977 19945 15068 1 16 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.146 1.918 19945 15069 1 16 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.419 -1.585 19945 15070 1 16 . 1 1 14 14 ASN H H 14 11.112 11.112 8.709 2.403 19945 15071 1 16 . 1 1 15 15 THR N N 15 122.550 122.550 115.675 6.875 19945 15072 1 16 . 1 1 15 15 THR HA H 15 4.369 4.369 3.990 0.379 19945 15073 1 16 . 1 1 15 15 THR C C 15 176.786 176.786 176.474 0.312 19945 15074 1 16 . 1 1 15 15 THR CA C 15 67.325 67.325 66.023 1.302 19945 15075 1 16 . 1 1 15 15 THR CB C 15 67.961 67.961 68.438 -0.477 19945 15076 1 16 . 1 1 15 15 THR H H 15 11.327 11.327 8.412 2.915 19945 15077 1 16 . 1 1 16 16 GLU N N 16 120.578 120.578 120.334 0.244 19945 15078 1 16 . 1 1 16 16 GLU HA H 16 2.287 2.287 3.896 -1.609 19945 15079 1 16 . 1 1 16 16 GLU C C 16 176.642 176.642 178.377 -1.735 19945 15080 1 16 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.187 -0.118 19945 15081 1 16 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.648 -0.271 19945 15082 1 16 . 1 1 16 16 GLU H H 16 6.590 6.590 8.350 -1.760 19945 15083 1 16 . 1 1 17 17 ASN N N 17 118.000 118.000 118.300 -0.300 19945 15084 1 16 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.498 -0.188 19945 15085 1 16 . 1 1 17 17 ASN C C 17 178.255 178.255 177.300 0.955 19945 15086 1 16 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.754 0.547 19945 15087 1 16 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.354 -0.716 19945 15088 1 16 . 1 1 17 17 ASN H H 17 7.705 7.705 7.704 0.001 19945 15089 1 16 . 1 1 18 18 ILE N N 18 119.430 119.430 119.998 -0.568 19945 15090 1 16 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.698 -0.046 19945 15091 1 16 . 1 1 18 18 ILE C C 18 177.564 177.564 177.388 0.176 19945 15092 1 16 . 1 1 18 18 ILE CA C 18 62.500 62.500 62.837 -0.337 19945 15093 1 16 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.447 -1.896 19945 15094 1 16 . 1 1 18 18 ILE H H 18 8.141 8.141 7.574 0.567 19945 15095 1 16 . 1 1 19 19 ALA N N 19 123.208 123.208 122.604 0.604 19945 15096 1 16 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.224 0.445 19945 15097 1 16 . 1 1 19 19 ALA C C 19 178.888 178.888 179.386 -0.498 19945 15098 1 16 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.185 0.470 19945 15099 1 16 . 1 1 19 19 ALA CB C 19 18.815 18.815 17.623 1.192 19945 15100 1 16 . 1 1 19 19 ALA H H 19 8.304 8.304 8.202 0.102 19945 15101 1 16 . 1 1 20 20 LYS N N 20 116.460 116.460 118.572 -2.112 19945 15102 1 16 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.953 -0.137 19945 15103 1 16 . 1 1 20 20 LYS C C 20 179.666 179.666 179.050 0.616 19945 15104 1 16 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.365 0.457 19945 15105 1 16 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.322 -0.224 19945 15106 1 16 . 1 1 20 20 LYS H H 20 7.722 7.722 7.760 -0.038 19945 15107 1 16 . 1 1 21 21 MET N N 21 123.880 123.880 118.797 5.083 19945 15108 1 16 . 1 1 21 21 MET HA H 21 3.946 3.946 4.088 -0.142 19945 15109 1 16 . 1 1 21 21 MET C C 21 179.435 179.435 178.768 0.667 19945 15110 1 16 . 1 1 21 21 MET CA C 21 59.662 59.662 59.001 0.661 19945 15111 1 16 . 1 1 21 21 MET CB C 21 34.262 34.262 32.591 1.671 19945 15112 1 16 . 1 1 21 21 MET H H 21 8.336 8.336 7.563 0.773 19945 15113 1 16 . 1 1 22 22 ILE N N 22 122.065 122.065 121.117 0.948 19945 15114 1 16 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.527 -0.282 19945 15115 1 16 . 1 1 22 22 ILE C C 22 177.592 177.592 177.527 0.065 19945 15116 1 16 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.778 -0.054 19945 15117 1 16 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.572 0.105 19945 15118 1 16 . 1 1 22 22 ILE H H 22 8.500 8.500 8.448 0.052 19945 15119 1 16 . 1 1 23 23 GLN N N 23 119.264 119.264 119.782 -0.518 19945 15120 1 16 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.768 -0.324 19945 15121 1 16 . 1 1 23 23 GLN C C 23 177.017 177.017 178.064 -1.047 19945 15122 1 16 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.299 0.392 19945 15123 1 16 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.574 -0.726 19945 15124 1 16 . 1 1 23 23 GLN H H 23 7.985 7.985 8.316 -0.331 19945 15125 1 16 . 1 1 24 24 LYS N N 24 118.970 118.970 118.968 0.002 19945 15126 1 16 . 1 1 24 24 LYS HA H 24 3.920 3.920 3.966 -0.045 19945 15127 1 16 . 1 1 24 24 LYS C C 24 178.427 178.427 179.117 -0.690 19945 15128 1 16 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.733 0.426 19945 15129 1 16 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.021 0.343 19945 15130 1 16 . 1 1 24 24 LYS H H 24 7.942 7.942 8.202 -0.260 19945 15131 1 16 . 1 1 25 25 GLN N N 25 118.400 118.400 117.339 1.061 19945 15132 1 16 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.075 -0.072 19945 15133 1 16 . 1 1 25 25 GLN C C 25 178.226 178.226 177.680 0.546 19945 15134 1 16 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.109 -0.026 19945 15135 1 16 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.911 -0.001 19945 15136 1 16 . 1 1 25 25 GLN H H 25 7.636 7.636 7.507 0.129 19945 15137 1 16 . 1 1 26 26 LEU N N 26 119.080 119.080 117.001 2.079 19945 15138 1 16 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.128 -0.109 19945 15139 1 16 . 1 1 26 26 LEU C C 26 177.247 177.247 176.850 0.397 19945 15140 1 16 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.966 1.103 19945 15141 1 16 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.968 0.181 19945 15142 1 16 . 1 1 26 26 LEU H H 26 8.098 8.098 7.826 0.272 19945 15143 1 16 . 1 1 27 27 GLY N N 27 107.750 107.750 104.469 3.281 19945 15144 1 16 . 1 1 27 27 GLY C C 27 175.231 175.231 174.645 0.586 19945 15145 1 16 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.547 -0.487 19945 15146 1 16 . 1 1 27 27 GLY H H 27 8.050 8.050 7.769 0.281 19945 15147 1 16 . 1 1 28 28 LYS N N 28 125.187 125.187 122.422 2.765 19945 15148 1 16 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.115 0.108 19945 15149 1 16 . 1 1 28 28 LYS C C 28 176.372 176.372 176.547 -0.175 19945 15150 1 16 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.973 0.956 19945 15151 1 16 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.484 -0.386 19945 15152 1 16 . 1 1 28 28 LYS H H 28 8.786 8.786 8.540 0.246 19945 15153 1 16 . 1 1 29 29 ASP N N 29 115.960 115.960 115.378 0.582 19945 15154 1 16 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.568 0.007 19945 15155 1 16 . 1 1 29 29 ASP C C 29 176.437 176.437 177.499 -1.062 19945 15156 1 16 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.455 -0.245 19945 15157 1 16 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.648 -0.846 19945 15158 1 16 . 1 1 29 29 ASP H H 29 8.919 8.919 8.279 0.640 19945 15159 1 16 . 1 1 30 30 VAL N N 30 120.609 120.609 118.666 1.943 19945 15160 1 16 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.087 -0.031 19945 15161 1 16 . 1 1 30 30 VAL C C 30 174.656 174.656 174.673 -0.017 19945 15162 1 16 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.126 0.594 19945 15163 1 16 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.407 -0.569 19945 15164 1 16 . 1 1 30 30 VAL H H 30 7.573 7.573 7.677 -0.104 19945 15165 1 16 . 1 1 31 31 ALA N N 31 123.100 123.100 119.588 3.512 19945 15166 1 16 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.207 0.324 19945 15167 1 16 . 1 1 31 31 ALA C C 31 175.174 175.174 174.556 0.618 19945 15168 1 16 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.097 0.065 19945 15169 1 16 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.645 0.686 19945 15170 1 16 . 1 1 31 31 ALA H H 31 7.951 7.951 8.035 -0.084 19945 15171 1 16 . 1 1 32 32 ASP N N 32 121.576 121.576 119.421 2.155 19945 15172 1 16 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.847 0.022 19945 15173 1 16 . 1 1 32 32 ASP C C 32 174.771 174.771 173.995 0.776 19945 15174 1 16 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.659 0.753 19945 15175 1 16 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.116 -1.329 19945 15176 1 16 . 1 1 32 32 ASP H H 32 8.175 8.175 8.367 -0.192 19945 15177 1 16 . 1 1 33 33 VAL N N 33 120.428 120.428 121.595 -1.167 19945 15178 1 16 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.471 0.186 19945 15179 1 16 . 1 1 33 33 VAL C C 33 174.252 174.252 174.848 -0.596 19945 15180 1 16 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.365 -0.062 19945 15181 1 16 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.570 0.306 19945 15182 1 16 . 1 1 33 33 VAL H H 33 8.397 8.397 7.939 0.458 19945 15183 1 16 . 1 1 34 34 HIS N N 34 125.285 125.285 124.292 0.993 19945 15184 1 16 . 1 1 34 34 HIS HA H 34 4.553 4.553 5.047 -0.494 19945 15185 1 16 . 1 1 34 34 HIS C C 34 171.920 171.920 172.719 -0.799 19945 15186 1 16 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.859 -1.288 19945 15187 1 16 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.785 -0.365 19945 15188 1 16 . 1 1 34 34 HIS H H 34 8.945 8.945 9.027 -0.082 19945 15189 1 16 . 1 1 35 35 ASP N N 35 124.120 124.120 119.632 4.488 19945 15190 1 16 . 1 1 35 35 ASP HA H 35 3.297 3.297 5.339 -2.042 19945 15191 1 16 . 1 1 35 35 ASP C C 35 179.780 179.780 176.488 3.292 19945 15192 1 16 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.379 -0.623 19945 15193 1 16 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.922 -2.526 19945 15194 1 16 . 1 1 35 35 ASP H H 35 8.589 8.589 8.850 -0.261 19945 15195 1 16 . 1 1 36 36 ILE N N 36 106.681 106.681 125.901 -19.220 19945 15196 1 16 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.495 0.059 19945 15197 1 16 . 1 1 36 36 ILE C C 36 175.404 175.404 175.479 -0.075 19945 15198 1 16 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.092 -2.742 19945 15199 1 16 . 1 1 36 36 ILE CB C 36 39.271 39.271 36.971 2.300 19945 15200 1 16 . 1 1 36 36 ILE H H 36 9.705 9.705 8.786 0.919 19945 15201 1 16 . 1 1 37 37 ALA N N 37 123.095 123.095 120.140 2.955 19945 15202 1 16 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.082 0.007 19945 15203 1 16 . 1 1 37 37 ALA C C 37 178.140 178.140 178.683 -0.543 19945 15204 1 16 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.025 -0.409 19945 15205 1 16 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.866 0.481 19945 15206 1 16 . 1 1 37 37 ALA H H 37 8.261 8.261 8.207 0.054 19945 15207 1 16 . 1 1 38 38 LYS N N 38 115.312 115.312 117.864 -2.552 19945 15208 1 16 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.271 0.340 19945 15209 1 16 . 1 1 38 38 LYS C C 38 176.498 176.498 177.137 -0.639 19945 15210 1 16 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.972 -2.825 19945 15211 1 16 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.997 0.429 19945 15212 1 16 . 1 1 38 38 LYS H H 38 7.437 7.437 7.879 -0.442 19945 15213 1 16 . 1 1 39 39 SER N N 39 115.623 115.623 115.974 -0.351 19945 15214 1 16 . 1 1 39 39 SER HA H 39 5.019 5.019 4.444 0.575 19945 15215 1 16 . 1 1 39 39 SER C C 39 171.402 171.402 173.451 -2.049 19945 15216 1 16 . 1 1 39 39 SER CA C 39 58.929 58.929 59.118 -0.189 19945 15217 1 16 . 1 1 39 39 SER CB C 39 65.538 65.538 64.080 1.458 19945 15218 1 16 . 1 1 39 39 SER H H 39 7.051 7.051 7.509 -0.458 19945 15219 1 16 . 1 1 40 40 SER N N 40 118.860 118.860 115.493 3.367 19945 15220 1 16 . 1 1 40 40 SER HA H 40 5.025 5.025 4.806 0.219 19945 15221 1 16 . 1 1 40 40 SER C C 40 174.741 174.741 175.237 -0.496 19945 15222 1 16 . 1 1 40 40 SER CA C 40 56.003 56.003 56.986 -0.984 19945 15223 1 16 . 1 1 40 40 SER CB C 40 67.416 67.416 65.464 1.952 19945 15224 1 16 . 1 1 40 40 SER H H 40 9.377 9.377 8.206 1.171 19945 15225 1 16 . 1 1 41 41 LYS N N 41 122.504 122.504 123.432 -0.928 19945 15226 1 16 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.021 -0.283 19945 15227 1 16 . 1 1 41 41 LYS C C 41 177.391 177.391 177.943 -0.552 19945 15228 1 16 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.740 1.233 19945 15229 1 16 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.280 1.027 19945 15230 1 16 . 1 1 41 41 LYS H H 41 9.098 9.098 8.894 0.204 19945 15231 1 16 . 1 1 42 42 GLU N N 42 115.836 115.836 115.241 0.595 19945 15232 1 16 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.165 -0.037 19945 15233 1 16 . 1 1 42 42 GLU C C 42 178.773 178.773 177.262 1.511 19945 15234 1 16 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.660 2.332 19945 15235 1 16 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.337 -0.693 19945 15236 1 16 . 1 1 42 42 GLU H H 42 8.839 8.839 8.488 0.351 19945 15237 1 16 . 1 1 43 43 ASP N N 43 119.589 119.589 120.307 -0.718 19945 15238 1 16 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.510 -0.024 19945 15239 1 16 . 1 1 43 43 ASP C C 43 177.564 177.564 178.646 -1.082 19945 15240 1 16 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.532 1.069 19945 15241 1 16 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.059 -0.253 19945 15242 1 16 . 1 1 43 43 ASP H H 43 7.794 7.794 7.655 0.139 19945 15243 1 16 . 1 1 44 44 LEU N N 44 118.745 118.745 120.262 -1.517 19945 15244 1 16 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.197 -0.226 19945 15245 1 16 . 1 1 44 44 LEU C C 44 178.600 178.600 178.870 -0.270 19945 15246 1 16 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.294 1.588 19945 15247 1 16 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.964 0.760 19945 15248 1 16 . 1 1 44 44 LEU H H 44 6.854 6.854 7.701 -0.847 19945 15249 1 16 . 1 1 45 45 GLU N N 45 114.280 114.280 116.978 -2.698 19945 15250 1 16 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.129 -0.502 19945 15251 1 16 . 1 1 45 45 GLU C C 45 176.988 176.988 176.892 0.096 19945 15252 1 16 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.119 0.557 19945 15253 1 16 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.231 1.007 19945 15254 1 16 . 1 1 45 45 GLU H H 45 7.571 7.571 8.329 -0.758 19945 15255 1 16 . 1 1 46 46 ALA N N 46 118.860 118.860 120.899 -2.039 19945 15256 1 16 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.091 -0.053 19945 15257 1 16 . 1 1 46 46 ALA C C 46 176.901 176.901 177.922 -1.021 19945 15258 1 16 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.218 0.101 19945 15259 1 16 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.089 -0.008 19945 15260 1 16 . 1 1 46 46 ALA H H 46 7.026 7.026 7.247 -0.222 19945 15261 1 16 . 1 1 47 47 TYR N N 47 115.674 115.674 116.772 -1.098 19945 15262 1 16 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.541 0.190 19945 15263 1 16 . 1 1 47 47 TYR C C 47 175.807 175.807 175.385 0.422 19945 15264 1 16 . 1 1 47 47 TYR CA C 47 57.607 57.607 58.636 -1.029 19945 15265 1 16 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.710 1.952 19945 15266 1 16 . 1 1 47 47 TYR H H 47 7.277 7.277 7.394 -0.117 19945 15267 1 16 . 1 1 48 48 ASP N N 48 121.598 121.598 120.742 0.856 19945 15268 1 16 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.765 0.143 19945 15269 1 16 . 1 1 48 48 ASP C C 48 175.030 175.030 176.145 -1.115 19945 15270 1 16 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.442 -0.234 19945 15271 1 16 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.599 -0.953 19945 15272 1 16 . 1 1 48 48 ASP H H 48 9.546 9.546 8.489 1.057 19945 15273 1 16 . 1 1 49 49 ILE N N 49 119.608 119.608 119.611 -0.003 19945 15274 1 16 . 1 1 49 49 ILE HA H 49 5.294 5.294 4.962 0.332 19945 15275 1 16 . 1 1 49 49 ILE C C 49 175.059 175.059 174.649 0.410 19945 15276 1 16 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.503 0.027 19945 15277 1 16 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.901 0.167 19945 15278 1 16 . 1 1 49 49 ILE H H 49 7.331 7.331 7.977 -0.646 19945 15279 1 16 . 1 1 50 50 LEU N N 50 127.901 127.901 126.690 1.211 19945 15280 1 16 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.345 0.315 19945 15281 1 16 . 1 1 50 50 LEU C C 50 174.598 174.598 175.322 -0.724 19945 15282 1 16 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.718 -0.899 19945 15283 1 16 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.981 3.056 19945 15284 1 16 . 1 1 50 50 LEU H H 50 9.095 9.095 9.061 0.034 19945 15285 1 16 . 1 1 51 51 LEU N N 51 123.440 123.440 125.525 -2.085 19945 15286 1 16 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.314 0.718 19945 15287 1 16 . 1 1 51 51 LEU C C 51 175.894 175.894 175.537 0.357 19945 15288 1 16 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.133 -0.822 19945 15289 1 16 . 1 1 51 51 LEU CB C 51 44.318 44.318 43.567 0.751 19945 15290 1 16 . 1 1 51 51 LEU H H 51 9.275 9.275 9.361 -0.086 19945 15291 1 16 . 1 1 52 52 LEU N N 52 123.320 123.320 125.856 -2.536 19945 15292 1 16 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.651 0.005 19945 15293 1 16 . 1 1 52 52 LEU C C 52 173.763 173.763 176.308 -2.545 19945 15294 1 16 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.420 -0.543 19945 15295 1 16 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.381 -1.895 19945 15296 1 16 . 1 1 52 52 LEU H H 52 9.024 9.024 9.112 -0.088 19945 15297 1 16 . 1 1 53 53 GLY N N 53 110.739 110.739 112.302 -1.563 19945 15298 1 16 . 1 1 53 53 GLY C C 53 174.530 174.530 171.817 2.713 19945 15299 1 16 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.352 -0.363 19945 15300 1 16 . 1 1 53 53 GLY H H 53 9.283 9.283 9.232 0.051 19945 15301 1 16 . 1 1 54 54 ILE N N 54 126.032 126.032 124.905 1.127 19945 15302 1 16 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.105 1.101 19945 15303 1 16 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.751 -0.744 19945 15304 1 16 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.752 1.238 19945 15305 1 16 . 1 1 54 54 ILE H H 54 9.136 9.136 8.712 0.424 19945 15306 1 16 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.799 0.518 19945 15307 1 16 . 1 1 55 55 PRO C C 55 174.771 174.771 176.605 -1.834 19945 15308 1 16 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.839 -0.091 19945 15309 1 16 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.895 0.119 19945 15310 1 16 . 1 1 56 56 THR N N 56 113.710 113.710 118.286 -4.576 19945 15311 1 16 . 1 1 56 56 THR HA H 56 4.582 4.582 4.735 -0.153 19945 15312 1 16 . 1 1 56 56 THR C C 56 171.719 171.719 173.769 -2.050 19945 15313 1 16 . 1 1 56 56 THR CA C 56 62.383 62.383 62.829 -0.446 19945 15314 1 16 . 1 1 56 56 THR CB C 56 69.692 69.692 70.273 -0.581 19945 15315 1 16 . 1 1 56 56 THR H H 56 6.599 6.599 7.752 -1.153 19945 15316 1 16 . 1 1 57 57 TRP N N 57 130.050 130.050 125.212 4.838 19945 15317 1 16 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.382 -1.756 19945 15318 1 16 . 1 1 57 57 TRP C C 57 172.611 172.611 175.848 -3.237 19945 15319 1 16 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.047 -0.772 19945 15320 1 16 . 1 1 57 57 TRP CB C 57 34.754 34.754 31.857 2.897 19945 15321 1 16 . 1 1 57 57 TRP H H 57 8.865 8.865 8.822 0.043 19945 15322 1 16 . 1 1 58 58 TYR N N 58 112.793 112.793 114.813 -2.020 19945 15323 1 16 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.777 0.439 19945 15324 1 16 . 1 1 58 58 TYR C C 58 173.619 173.619 175.025 -1.406 19945 15325 1 16 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.613 -1.413 19945 15326 1 16 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.328 -0.128 19945 15327 1 16 . 1 1 58 58 TYR H H 58 5.730 5.730 8.538 -2.808 19945 15328 1 16 . 1 1 59 59 TYR N N 59 112.220 112.220 117.917 -5.697 19945 15329 1 16 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.622 -1.227 19945 15330 1 16 . 1 1 59 59 TYR C C 59 175.865 175.865 174.893 0.972 19945 15331 1 16 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.447 2.013 19945 15332 1 16 . 1 1 59 59 TYR CB C 59 33.610 33.610 39.446 -5.836 19945 15333 1 16 . 1 1 59 59 TYR H H 59 7.661 7.661 8.145 -0.484 19945 15334 1 16 . 1 1 60 60 GLY N N 60 104.550 104.550 108.107 -3.557 19945 15335 1 16 . 1 1 60 60 GLY C C 60 174.483 174.483 174.465 0.018 19945 15336 1 16 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.492 0.686 19945 15337 1 16 . 1 1 60 60 GLY H H 60 8.142 8.142 7.581 0.561 19945 15338 1 16 . 1 1 61 61 GLU N N 61 120.991 120.991 118.206 2.785 19945 15339 1 16 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.848 -0.410 19945 15340 1 16 . 1 1 61 61 GLU C C 61 175.548 175.548 175.255 0.293 19945 15341 1 16 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.066 1.410 19945 15342 1 16 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.834 -3.334 19945 15343 1 16 . 1 1 61 61 GLU H H 61 8.307 8.307 8.072 0.235 19945 15344 1 16 . 1 1 62 62 ALA N N 62 122.750 122.750 122.103 0.647 19945 15345 1 16 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.579 -0.373 19945 15346 1 16 . 1 1 62 62 ALA C C 62 176.671 176.671 177.172 -0.501 19945 15347 1 16 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.636 0.174 19945 15348 1 16 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.248 0.958 19945 15349 1 16 . 1 1 62 62 ALA H H 62 8.722 8.722 8.655 0.067 19945 15350 1 16 . 1 1 63 63 GLN N N 63 120.579 120.579 119.177 1.402 19945 15351 1 16 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.008 -0.122 19945 15352 1 16 . 1 1 63 63 GLN C C 63 176.757 176.757 177.515 -0.758 19945 15353 1 16 . 1 1 63 63 GLN CA C 63 57.609 57.609 56.457 1.152 19945 15354 1 16 . 1 1 63 63 GLN H H 63 6.302 6.302 8.551 -2.249 19945 15355 1 16 . 1 1 64 64 CYS N N 64 125.487 125.487 124.757 0.730 19945 15356 1 16 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.101 0.010 19945 15357 1 16 . 1 1 64 64 CYS C C 64 174.972 174.972 176.320 -1.348 19945 15358 1 16 . 1 1 64 64 CYS CA C 64 61.489 61.489 63.716 -2.227 19945 15359 1 16 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.609 -0.027 19945 15360 1 16 . 1 1 64 64 CYS H H 64 9.091 9.091 8.955 0.136 19945 15361 1 16 . 1 1 65 65 ASP N N 65 120.298 120.298 119.079 1.219 19945 15362 1 16 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.378 0.021 19945 15363 1 16 . 1 1 65 65 ASP C C 65 179.000 179.000 177.145 1.855 19945 15364 1 16 . 1 1 65 65 ASP CA C 65 58.132 58.132 56.317 1.815 19945 15365 1 16 . 1 1 65 65 ASP CB C 65 41.223 41.223 39.855 1.368 19945 15366 1 16 . 1 1 65 65 ASP H H 65 7.093 7.093 8.501 -1.408 19945 15367 1 16 . 1 1 66 66 TRP N N 66 122.608 122.608 121.302 1.306 19945 15368 1 16 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.337 -0.120 19945 15369 1 16 . 1 1 66 66 TRP C C 66 176.930 176.930 178.260 -1.330 19945 15370 1 16 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.269 1.254 19945 15371 1 16 . 1 1 66 66 TRP CB C 66 29.961 29.961 30.305 -0.344 19945 15372 1 16 . 1 1 66 66 TRP H H 66 7.394 7.394 7.573 -0.179 19945 15373 1 16 . 1 1 67 67 ASP N N 67 118.860 118.860 120.139 -1.279 19945 15374 1 16 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.479 0.046 19945 15375 1 16 . 1 1 67 67 ASP C C 67 179.579 179.579 178.359 1.220 19945 15376 1 16 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.443 -0.102 19945 15377 1 16 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.803 1.597 19945 15378 1 16 . 1 1 67 67 ASP H H 67 8.087 8.087 8.462 -0.375 19945 15379 1 16 . 1 1 68 68 ASP N N 68 116.220 116.220 119.565 -3.345 19945 15380 1 16 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.390 -0.034 19945 15381 1 16 . 1 1 68 68 ASP C C 68 176.873 176.873 177.163 -0.290 19945 15382 1 16 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.387 -0.132 19945 15383 1 16 . 1 1 68 68 ASP CB C 68 40.807 40.807 40.980 -0.173 19945 15384 1 16 . 1 1 68 68 ASP H H 68 8.056 8.056 8.209 -0.153 19945 15385 1 16 . 1 1 69 69 PHE N N 69 120.493 120.493 117.043 3.450 19945 15386 1 16 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.395 -0.032 19945 15387 1 16 . 1 1 69 69 PHE C C 69 177.103 177.103 175.805 1.298 19945 15388 1 16 . 1 1 69 69 PHE CA C 69 58.929 58.929 58.882 0.047 19945 15389 1 16 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.019 1.511 19945 15390 1 16 . 1 1 69 69 PHE H H 69 7.659 7.659 7.421 0.238 19945 15391 1 16 . 1 1 70 70 PHE N N 70 122.293 122.293 119.815 2.478 19945 15392 1 16 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.359 0.659 19945 15393 1 16 . 1 1 70 70 PHE C C 70 174.396 174.396 174.786 -0.390 19945 15394 1 16 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.751 -2.628 19945 15395 1 16 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.515 -0.760 19945 15396 1 16 . 1 1 70 70 PHE H H 70 8.197 8.197 7.647 0.550 19945 15397 1 16 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.520 -0.122 19945 15398 1 16 . 1 1 71 71 PRO C C 71 179.118 179.118 177.427 1.691 19945 15399 1 16 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.003 1.364 19945 15400 1 16 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.070 -0.140 19945 15401 1 16 . 1 1 72 72 THR N N 72 114.461 114.461 113.537 0.924 19945 15402 1 16 . 1 1 72 72 THR HA H 72 3.816 3.816 4.077 -0.261 19945 15403 1 16 . 1 1 72 72 THR C C 72 176.498 176.498 176.488 0.010 19945 15404 1 16 . 1 1 72 72 THR CA C 72 65.803 65.803 64.516 1.286 19945 15405 1 16 . 1 1 72 72 THR CB C 72 67.203 67.203 68.731 -1.528 19945 15406 1 16 . 1 1 72 72 THR H H 72 7.534 7.534 7.435 0.099 19945 15407 1 16 . 1 1 73 73 LEU N N 73 124.812 124.812 123.704 1.108 19945 15408 1 16 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.128 -0.038 19945 15409 1 16 . 1 1 73 73 LEU C C 73 177.996 177.996 178.037 -0.041 19945 15410 1 16 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.366 -0.215 19945 15411 1 16 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.115 1.671 19945 15412 1 16 . 1 1 73 73 LEU H H 73 8.123 8.123 8.267 -0.144 19945 15413 1 16 . 1 1 74 74 GLU N N 74 111.877 111.877 116.557 -4.680 19945 15414 1 16 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.131 -0.306 19945 15415 1 16 . 1 1 74 74 GLU C C 74 176.930 176.930 177.574 -0.644 19945 15416 1 16 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.522 -0.847 19945 15417 1 16 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.905 1.116 19945 15418 1 16 . 1 1 74 74 GLU H H 74 7.933 7.933 8.478 -0.545 19945 15419 1 16 . 1 1 75 75 GLU N N 75 116.571 116.571 117.727 -1.156 19945 15420 1 16 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.308 0.039 19945 15421 1 16 . 1 1 75 75 GLU C C 75 177.045 177.045 176.518 0.527 19945 15422 1 16 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.653 0.374 19945 15423 1 16 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.504 0.005 19945 15424 1 16 . 1 1 75 75 GLU H H 75 7.659 7.659 7.871 -0.212 19945 15425 1 16 . 1 1 76 76 ILE N N 76 123.080 123.080 120.554 2.526 19945 15426 1 16 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.776 0.001 19945 15427 1 16 . 1 1 76 76 ILE C C 76 174.656 174.656 174.927 -0.271 19945 15428 1 16 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.740 0.334 19945 15429 1 16 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.617 0.388 19945 15430 1 16 . 1 1 76 76 ILE H H 76 7.468 7.468 7.224 0.244 19945 15431 1 16 . 1 1 77 77 ASP N N 77 126.540 126.540 124.666 1.874 19945 15432 1 16 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.371 0.442 19945 15433 1 16 . 1 1 77 77 ASP C C 77 176.614 176.614 175.016 1.598 19945 15434 1 16 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.870 -0.729 19945 15435 1 16 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.770 -0.905 19945 15436 1 16 . 1 1 77 77 ASP H H 77 8.605 8.605 8.666 -0.061 19945 15437 1 16 . 1 1 78 78 PHE N N 78 124.583 124.583 122.432 2.151 19945 15438 1 16 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.714 -0.554 19945 15439 1 16 . 1 1 78 78 PHE C C 78 175.347 175.347 175.460 -0.113 19945 15440 1 16 . 1 1 78 78 PHE CA C 78 59.142 59.142 55.714 3.428 19945 15441 1 16 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.413 0.755 19945 15442 1 16 . 1 1 78 78 PHE H H 78 8.053 8.053 7.641 0.412 19945 15443 1 16 . 1 1 79 79 ASN N N 79 121.321 121.321 121.208 0.113 19945 15444 1 16 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.569 -0.052 19945 15445 1 16 . 1 1 79 79 ASN C C 79 176.815 176.815 176.357 0.458 19945 15446 1 16 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.252 1.200 19945 15447 1 16 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.231 0.508 19945 15448 1 16 . 1 1 79 79 ASN H H 79 8.695 8.695 8.561 0.134 19945 15449 1 16 . 1 1 80 80 GLY N N 80 114.150 114.150 113.062 1.088 19945 15450 1 16 . 1 1 80 80 GLY C C 80 174.195 174.195 174.583 -0.388 19945 15451 1 16 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.664 -0.018 19945 15452 1 16 . 1 1 80 80 GLY H H 80 8.646 8.646 8.804 -0.158 19945 15453 1 16 . 1 1 81 81 LYS N N 81 119.318 119.318 120.787 -1.469 19945 15454 1 16 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.418 0.619 19945 15455 1 16 . 1 1 81 81 LYS C C 81 176.268 176.268 176.285 -0.017 19945 15456 1 16 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.067 -0.071 19945 15457 1 16 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.171 0.784 19945 15458 1 16 . 1 1 81 81 LYS H H 81 8.295 8.295 7.820 0.475 19945 15459 1 16 . 1 1 82 82 LEU N N 82 127.000 127.000 123.349 3.651 19945 15460 1 16 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.057 0.173 19945 15461 1 16 . 1 1 82 82 LEU C C 82 175.347 175.347 175.975 -0.628 19945 15462 1 16 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.440 -0.636 19945 15463 1 16 . 1 1 82 82 LEU CB C 82 44.151 44.151 42.530 1.621 19945 15464 1 16 . 1 1 82 82 LEU H H 82 8.407 8.407 8.810 -0.403 19945 15465 1 16 . 1 1 83 83 VAL N N 83 121.665 121.665 122.267 -0.602 19945 15466 1 16 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.234 0.606 19945 15467 1 16 . 1 1 83 83 VAL C C 83 173.417 173.417 174.087 -0.670 19945 15468 1 16 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.207 -1.005 19945 15469 1 16 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.688 0.660 19945 15470 1 16 . 1 1 83 83 VAL H H 83 8.960 8.960 9.168 -0.208 19945 15471 1 16 . 1 1 84 84 ALA N N 84 128.017 128.017 127.651 0.366 19945 15472 1 16 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.616 -0.283 19945 15473 1 16 . 1 1 84 84 ALA C C 84 175.231 175.231 175.741 -0.510 19945 15474 1 16 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.040 0.388 19945 15475 1 16 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.192 0.937 19945 15476 1 16 . 1 1 84 84 ALA H H 84 9.021 9.021 9.131 -0.110 19945 15477 1 16 . 1 1 85 85 LEU N N 85 124.220 124.220 121.605 2.615 19945 15478 1 16 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.608 0.004 19945 15479 1 16 . 1 1 85 85 LEU C C 85 174.454 174.454 175.608 -1.154 19945 15480 1 16 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.301 -0.328 19945 15481 1 16 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.050 0.862 19945 15482 1 16 . 1 1 85 85 LEU H H 85 11.134 11.134 8.928 2.206 19945 15483 1 16 . 1 1 86 86 PHE N N 86 114.461 114.461 121.426 -6.965 19945 15484 1 16 . 1 1 86 86 PHE HA H 86 5.222 5.222 4.913 0.309 19945 15485 1 16 . 1 1 86 86 PHE C C 86 173.619 173.619 173.377 0.242 19945 15486 1 16 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.903 -1.225 19945 15487 1 16 . 1 1 86 86 PHE CB C 86 42.980 42.980 43.267 -0.287 19945 15488 1 16 . 1 1 86 86 PHE H H 86 8.829 8.829 8.778 0.051 19945 15489 1 16 . 1 1 87 87 GLY N N 87 104.437 104.437 110.160 -5.723 19945 15490 1 16 . 1 1 87 87 GLY C C 87 170.423 170.423 171.635 -1.212 19945 15491 1 16 . 1 1 87 87 GLY CA C 87 45.930 45.930 44.550 1.380 19945 15492 1 16 . 1 1 87 87 GLY H H 87 8.496 8.496 7.722 0.774 19945 15493 1 16 . 1 1 88 88 CYS N N 88 114.166 114.166 119.689 -5.523 19945 15494 1 16 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.439 0.564 19945 15495 1 16 . 1 1 88 88 CYS C C 88 174.425 174.425 174.681 -0.256 19945 15496 1 16 . 1 1 88 88 CYS CA C 88 56.538 56.538 56.623 -0.085 19945 15497 1 16 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.289 1.012 19945 15498 1 16 . 1 1 88 88 CYS H H 88 5.354 5.354 8.316 -2.962 19945 15499 1 16 . 1 1 89 89 GLY N N 89 109.463 109.463 109.083 0.380 19945 15500 1 16 . 1 1 89 89 GLY C C 89 173.187 173.187 171.498 1.689 19945 15501 1 16 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.122 2.321 19945 15502 1 16 . 1 1 89 89 GLY H H 89 8.404 8.404 8.426 -0.022 19945 15503 1 16 . 1 1 90 90 ASP N N 90 123.090 123.090 117.684 5.406 19945 15504 1 16 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.967 0.832 19945 15505 1 16 . 1 1 90 90 ASP C C 90 176.095 176.095 174.641 1.454 19945 15506 1 16 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.343 -0.790 19945 15507 1 16 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.737 -0.482 19945 15508 1 16 . 1 1 90 90 ASP H H 90 8.698 8.698 8.483 0.215 19945 15509 1 16 . 1 1 91 91 GLN N N 91 123.780 123.780 120.749 3.031 19945 15510 1 16 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.235 -0.539 19945 15511 1 16 . 1 1 91 91 GLN C C 91 173.639 173.639 175.595 -1.956 19945 15512 1 16 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.265 1.795 19945 15513 1 16 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.317 0.124 19945 15514 1 16 . 1 1 91 91 GLN H H 91 9.675 9.675 8.137 1.538 19945 15515 1 16 . 1 1 92 92 GLU N N 92 118.631 118.631 119.631 -1.000 19945 15516 1 16 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.139 0.452 19945 15517 1 16 . 1 1 92 92 GLU C C 92 177.247 177.247 176.633 0.614 19945 15518 1 16 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.530 -1.194 19945 15519 1 16 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.113 0.657 19945 15520 1 16 . 1 1 92 92 GLU H H 92 8.396 8.396 8.424 -0.028 19945 15521 1 16 . 1 1 93 93 ASP N N 93 120.889 120.889 117.126 3.763 19945 15522 1 16 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.626 -0.344 19945 15523 1 16 . 1 1 93 93 ASP C C 93 175.986 175.986 177.183 -1.197 19945 15524 1 16 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.840 0.585 19945 15525 1 16 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.575 -2.325 19945 15526 1 16 . 1 1 93 93 ASP H H 93 7.779 7.779 8.427 -0.648 19945 15527 1 16 . 1 1 94 94 TYR N N 94 117.028 117.028 120.290 -3.262 19945 15528 1 16 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.802 -0.117 19945 15529 1 16 . 1 1 94 94 TYR C C 94 175.519 175.519 177.050 -1.531 19945 15530 1 16 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.628 -1.249 19945 15531 1 16 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.577 -0.735 19945 15532 1 16 . 1 1 94 94 TYR H H 94 6.693 6.693 8.922 -2.229 19945 15533 1 16 . 1 1 95 95 ALA N N 95 121.950 121.950 123.669 -1.719 19945 15534 1 16 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.018 0.138 19945 15535 1 16 . 1 1 95 95 ALA C C 95 179.723 179.723 178.033 1.690 19945 15536 1 16 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.862 1.061 19945 15537 1 16 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.477 2.078 19945 15538 1 16 . 1 1 95 95 ALA H H 95 6.962 6.962 8.339 -1.377 19945 15539 1 16 . 1 1 96 96 GLU N N 96 115.884 115.884 116.792 -0.908 19945 15540 1 16 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.404 -0.098 19945 15541 1 16 . 1 1 96 96 GLU C C 96 174.684 174.684 175.839 -1.155 19945 15542 1 16 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.167 0.818 19945 15543 1 16 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.661 -0.485 19945 15544 1 16 . 1 1 96 96 GLU H H 96 9.327 9.327 8.591 0.736 19945 15545 1 16 . 1 1 97 97 TYR N N 97 121.836 121.836 116.596 5.240 19945 15546 1 16 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.764 0.645 19945 15547 1 16 . 1 1 97 97 TYR C C 97 179.953 179.953 174.647 5.306 19945 15548 1 16 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.190 0.253 19945 15549 1 16 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.732 2.560 19945 15550 1 16 . 1 1 97 97 TYR H H 97 8.175 8.175 8.175 -0.000 19945 15551 1 16 . 1 1 98 98 PHE N N 98 124.580 124.580 124.532 0.048 19945 15552 1 16 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.623 0.514 19945 15553 1 16 . 1 1 98 98 PHE C C 98 174.742 174.742 175.816 -1.074 19945 15554 1 16 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.326 0.337 19945 15555 1 16 . 1 1 98 98 PHE CB C 98 38.655 38.655 38.992 -0.337 19945 15556 1 16 . 1 1 98 98 PHE H H 98 7.889 7.889 7.904 -0.015 19945 15557 1 16 . 1 1 99 99 CYS N N 99 120.329 120.329 123.600 -3.271 19945 15558 1 16 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.723 -0.071 19945 15559 1 16 . 1 1 99 99 CYS C C 99 175.087 175.087 175.437 -0.350 19945 15560 1 16 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.125 2.751 19945 15561 1 16 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.036 -1.036 19945 15562 1 16 . 1 1 99 99 CYS H H 99 8.617 8.617 8.879 -0.262 19945 15563 1 16 . 1 1 100 100 ASP N N 100 116.705 116.705 121.998 -5.293 19945 15564 1 16 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.219 -0.274 19945 15565 1 16 . 1 1 100 100 ASP C C 100 178.888 178.888 177.040 1.848 19945 15566 1 16 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.408 0.720 19945 15567 1 16 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.316 0.634 19945 15568 1 16 . 1 1 100 100 ASP H H 100 7.104 7.104 8.088 -0.984 19945 15569 1 16 . 1 1 101 101 ALA N N 101 118.631 118.631 120.917 -2.286 19945 15570 1 16 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.287 -0.136 19945 15571 1 16 . 1 1 101 101 ALA C C 101 178.600 178.600 179.143 -0.543 19945 15572 1 16 . 1 1 101 101 ALA CA C 101 54.397 54.397 53.967 0.430 19945 15573 1 16 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.595 0.215 19945 15574 1 16 . 1 1 101 101 ALA H H 101 8.716 8.716 7.779 0.937 19945 15575 1 16 . 1 1 102 102 LEU N N 102 115.083 115.083 119.295 -4.212 19945 15576 1 16 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.903 -0.289 19945 15577 1 16 . 1 1 102 102 LEU C C 102 179.573 179.573 179.029 0.544 19945 15578 1 16 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.477 0.367 19945 15579 1 16 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.522 1.192 19945 15580 1 16 . 1 1 102 102 LEU H H 102 7.171 7.171 7.698 -0.527 19945 15581 1 16 . 1 1 103 103 GLY N N 103 104.501 104.501 105.070 -0.569 19945 15582 1 16 . 1 1 103 103 GLY C C 103 175.145 175.145 175.452 -0.307 19945 15583 1 16 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.440 -0.731 19945 15584 1 16 . 1 1 103 103 GLY H H 103 7.365 7.365 8.370 -1.005 19945 15585 1 16 . 1 1 104 104 THR N N 104 118.860 118.860 118.655 0.205 19945 15586 1 16 . 1 1 104 104 THR HA H 104 3.737 3.737 3.908 -0.171 19945 15587 1 16 . 1 1 104 104 THR C C 104 176.354 176.354 176.245 0.109 19945 15588 1 16 . 1 1 104 104 THR CA C 104 65.799 65.799 67.018 -1.219 19945 15589 1 16 . 1 1 104 104 THR CB C 104 67.961 67.961 68.430 -0.469 19945 15590 1 16 . 1 1 104 104 THR H H 104 7.343 7.343 7.455 -0.112 19945 15591 1 16 . 1 1 105 105 ILE N N 105 118.663 118.663 121.085 -2.422 19945 15592 1 16 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.559 -0.055 19945 15593 1 16 . 1 1 105 105 ILE C C 105 177.391 177.391 177.231 0.160 19945 15594 1 16 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.453 1.097 19945 15595 1 16 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.436 0.314 19945 15596 1 16 . 1 1 105 105 ILE H H 105 7.589 7.589 7.315 0.274 19945 15597 1 16 . 1 1 106 106 ARG N N 106 126.041 126.041 120.968 5.073 19945 15598 1 16 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.832 -0.252 19945 15599 1 16 . 1 1 106 106 ARG C C 106 176.614 176.614 177.982 -1.368 19945 15600 1 16 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.326 -0.059 19945 15601 1 16 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.025 -2.709 19945 15602 1 16 . 1 1 106 106 ARG H H 106 7.307 7.307 8.177 -0.870 19945 15603 1 16 . 1 1 107 107 ASP N N 107 117.480 117.480 116.836 0.644 19945 15604 1 16 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.512 -0.164 19945 15605 1 16 . 1 1 107 107 ASP C C 107 177.189 177.189 177.839 -0.650 19945 15606 1 16 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.691 -0.191 19945 15607 1 16 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.729 -1.055 19945 15608 1 16 . 1 1 107 107 ASP H H 107 8.202 8.202 8.149 0.053 19945 15609 1 16 . 1 1 108 108 ILE N N 108 117.715 117.715 118.669 -0.954 19945 15610 1 16 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.969 -0.113 19945 15611 1 16 . 1 1 108 108 ILE C C 108 178.427 178.427 177.822 0.605 19945 15612 1 16 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.755 0.222 19945 15613 1 16 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.890 0.561 19945 15614 1 16 . 1 1 108 108 ILE H H 108 7.107 7.107 7.376 -0.269 19945 15615 1 16 . 1 1 109 109 ILE N N 109 111.534 111.534 118.149 -6.615 19945 15616 1 16 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.994 -0.259 19945 15617 1 16 . 1 1 109 109 ILE C C 109 177.305 177.305 177.312 -0.007 19945 15618 1 16 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.484 0.121 19945 15619 1 16 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.731 -0.320 19945 15620 1 16 . 1 1 109 109 ILE H H 109 7.501 7.501 8.325 -0.824 19945 15621 1 16 . 1 1 110 110 GLU N N 110 127.123 127.123 123.072 4.051 19945 15622 1 16 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.213 0.085 19945 15623 1 16 . 1 1 110 110 GLU C C 110 177.391 177.391 177.076 0.315 19945 15624 1 16 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.730 1.601 19945 15625 1 16 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.414 -0.566 19945 15626 1 16 . 1 1 110 110 GLU H H 110 8.867 8.867 8.527 0.340 19945 15627 1 16 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.355 0.261 19945 15628 1 16 . 1 1 111 111 PRO C C 111 177.417 177.417 177.949 -0.532 19945 15629 1 16 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.907 0.328 19945 15630 1 16 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.182 -0.147 19945 15631 1 16 . 1 1 112 112 ARG N N 112 114.612 114.612 116.584 -1.972 19945 15632 1 16 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.434 0.134 19945 15633 1 16 . 1 1 112 112 ARG C C 112 175.792 175.792 176.711 -0.919 19945 15634 1 16 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.286 0.455 19945 15635 1 16 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.893 0.611 19945 15636 1 16 . 1 1 112 112 ARG H H 112 6.542 6.542 7.581 -1.039 19945 15637 1 16 . 1 1 113 113 GLY N N 113 106.474 106.474 106.590 -0.116 19945 15638 1 16 . 1 1 113 113 GLY C C 113 174.347 174.347 173.999 0.348 19945 15639 1 16 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.300 0.340 19945 15640 1 16 . 1 1 113 113 GLY H H 113 7.845 7.845 8.201 -0.356 19945 15641 1 16 . 1 1 114 114 ALA N N 114 122.280 122.280 123.561 -1.281 19945 15642 1 16 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.954 -0.675 19945 15643 1 16 . 1 1 114 114 ALA C C 114 176.785 176.785 177.532 -0.747 19945 15644 1 16 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.231 1.160 19945 15645 1 16 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.735 -0.123 19945 15646 1 16 . 1 1 114 114 ALA H H 114 7.535 7.535 7.933 -0.398 19945 15647 1 16 . 1 1 115 115 THR N N 115 120.909 120.909 119.312 1.597 19945 15648 1 16 . 1 1 115 115 THR HA H 115 4.478 4.478 4.559 -0.081 19945 15649 1 16 . 1 1 115 115 THR C C 115 172.963 172.963 173.680 -0.717 19945 15650 1 16 . 1 1 115 115 THR CA C 115 62.825 62.825 62.124 0.701 19945 15651 1 16 . 1 1 115 115 THR CB C 115 69.501 69.501 69.734 -0.233 19945 15652 1 16 . 1 1 115 115 THR H H 115 7.902 7.902 8.702 -0.800 19945 15653 1 16 . 1 1 116 116 ILE N N 116 129.162 129.162 128.260 0.902 19945 15654 1 16 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.113 0.184 19945 15655 1 16 . 1 1 116 116 ILE C C 116 177.056 177.056 175.907 1.149 19945 15656 1 16 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.433 0.090 19945 15657 1 16 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.288 -0.988 19945 15658 1 16 . 1 1 116 116 ILE H H 116 8.784 8.784 8.660 0.124 19945 15659 1 16 . 1 1 117 117 VAL N N 117 122.981 122.981 121.405 1.576 19945 15660 1 16 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.882 -0.288 19945 15661 1 16 . 1 1 117 117 VAL C C 117 175.190 175.190 175.954 -0.764 19945 15662 1 16 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.453 -0.524 19945 15663 1 16 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.867 -2.503 19945 15664 1 16 . 1 1 117 117 VAL H H 117 8.812 8.812 8.791 0.021 19945 15665 1 16 . 1 1 118 118 GLY N N 118 108.558 108.558 107.575 0.983 19945 15666 1 16 . 1 1 118 118 GLY C C 118 175.792 175.792 174.454 1.338 19945 15667 1 16 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.703 2.042 19945 15668 1 16 . 1 1 118 118 GLY H H 118 9.297 9.297 8.932 0.365 19945 15669 1 16 . 1 1 119 119 HIS N N 119 118.402 118.402 117.102 1.300 19945 15670 1 16 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.816 -0.044 19945 15671 1 16 . 1 1 119 119 HIS C C 119 175.866 175.866 174.423 1.443 19945 15672 1 16 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.274 0.328 19945 15673 1 16 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.814 -0.958 19945 15674 1 16 . 1 1 119 119 HIS H H 119 8.901 8.901 8.228 0.673 19945 15675 1 16 . 1 1 120 120 TRP N N 120 124.300 124.300 124.583 -0.283 19945 15676 1 16 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.124 1.169 19945 15677 1 16 . 1 1 120 120 TRP C C 120 173.113 173.113 173.516 -0.403 19945 15678 1 16 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.850 -0.346 19945 15679 1 16 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.743 2.543 19945 15680 1 16 . 1 1 120 120 TRP H H 120 8.455 8.455 8.744 -0.289 19945 15681 1 16 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.905 0.692 19945 15682 1 16 . 1 1 121 121 PRO C C 121 176.243 176.243 177.082 -0.839 19945 15683 1 16 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.264 1.186 19945 15684 1 16 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.706 -0.609 19945 15685 1 16 . 1 1 122 122 THR N N 122 110.568 110.568 112.281 -1.713 19945 15686 1 16 . 1 1 122 122 THR HA H 122 4.232 4.232 4.366 -0.134 19945 15687 1 16 . 1 1 122 122 THR C C 122 176.424 176.424 175.771 0.653 19945 15688 1 16 . 1 1 122 122 THR CA C 122 62.079 62.079 63.330 -1.251 19945 15689 1 16 . 1 1 122 122 THR CB C 122 68.758 68.758 69.090 -0.332 19945 15690 1 16 . 1 1 122 122 THR H H 122 7.560 7.560 8.695 -1.135 19945 15691 1 16 . 1 1 123 123 ALA N N 123 126.038 126.038 123.244 2.794 19945 15692 1 16 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.993 0.276 19945 15693 1 16 . 1 1 123 123 ALA C C 123 178.862 178.862 177.551 1.311 19945 15694 1 16 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.612 1.270 19945 15695 1 16 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.401 0.883 19945 15696 1 16 . 1 1 123 123 ALA H H 123 7.144 7.144 8.276 -1.132 19945 15697 1 16 . 1 1 124 124 GLY N N 124 111.468 111.468 105.342 6.126 19945 15698 1 16 . 1 1 124 124 GLY C C 124 173.775 173.775 174.725 -0.950 19945 15699 1 16 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.763 0.618 19945 15700 1 16 . 1 1 124 124 GLY H H 124 9.058 9.058 8.169 0.889 19945 15701 1 16 . 1 1 125 125 TYR N N 125 119.088 119.088 117.921 1.167 19945 15702 1 16 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.518 0.424 19945 15703 1 16 . 1 1 125 125 TYR C C 125 175.581 175.581 175.361 0.220 19945 15704 1 16 . 1 1 125 125 TYR CA C 125 56.762 56.762 57.190 -0.428 19945 15705 1 16 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.566 0.984 19945 15706 1 16 . 1 1 125 125 TYR H H 125 8.008 8.008 8.024 -0.016 19945 15707 1 16 . 1 1 126 126 HIS N N 126 121.799 121.799 123.332 -1.533 19945 15708 1 16 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.379 0.634 19945 15709 1 16 . 1 1 126 126 HIS C C 126 171.969 171.969 172.798 -0.829 19945 15710 1 16 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.742 -0.596 19945 15711 1 16 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.319 -0.932 19945 15712 1 16 . 1 1 126 126 HIS H H 126 9.512 9.512 8.624 0.888 19945 15713 1 16 . 1 1 127 127 PHE N N 127 117.258 117.258 119.430 -2.172 19945 15714 1 16 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.576 0.347 19945 15715 1 16 . 1 1 127 127 PHE C C 127 172.722 172.722 176.041 -3.319 19945 15716 1 16 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.148 -0.848 19945 15717 1 16 . 1 1 127 127 PHE CB C 127 39.754 39.754 42.040 -2.286 19945 15718 1 16 . 1 1 127 127 PHE H H 127 7.397 7.397 7.440 -0.043 19945 15719 1 16 . 1 1 128 128 GLU N N 128 120.484 120.484 120.008 0.476 19945 15720 1 16 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.132 0.231 19945 15721 1 16 . 1 1 128 128 GLU C C 128 176.033 176.033 176.329 -0.296 19945 15722 1 16 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.415 -1.347 19945 15723 1 16 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.187 1.645 19945 15724 1 16 . 1 1 128 128 GLU H H 128 8.492 8.492 8.883 -0.391 19945 15725 1 16 . 1 1 129 129 ALA N N 129 123.500 123.500 120.660 2.840 19945 15726 1 16 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.777 -0.079 19945 15727 1 16 . 1 1 129 129 ALA C C 129 174.016 174.016 175.372 -1.356 19945 15728 1 16 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.931 0.523 19945 15729 1 16 . 1 1 129 129 ALA CB C 129 22.003 22.003 22.235 -0.232 19945 15730 1 16 . 1 1 129 129 ALA H H 129 9.155 9.155 8.232 0.923 19945 15731 1 16 . 1 1 130 130 SER N N 130 110.807 110.807 118.243 -7.436 19945 15732 1 16 . 1 1 130 130 SER HA H 130 4.942 4.942 4.912 0.030 19945 15733 1 16 . 1 1 130 130 SER C C 130 176.665 176.665 175.130 1.535 19945 15734 1 16 . 1 1 130 130 SER CA C 130 57.471 57.471 58.184 -0.713 19945 15735 1 16 . 1 1 130 130 SER CB C 130 67.205 67.205 63.661 3.544 19945 15736 1 16 . 1 1 130 130 SER H H 130 8.101 8.101 8.497 -0.396 19945 15737 1 16 . 1 1 131 131 LYS N N 131 129.963 129.963 125.243 4.720 19945 15738 1 16 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.536 -0.087 19945 15739 1 16 . 1 1 131 131 LYS C C 131 176.533 176.533 177.007 -0.474 19945 15740 1 16 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.972 0.928 19945 15741 1 16 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.642 -1.013 19945 15742 1 16 . 1 1 131 131 LYS H H 131 9.690 9.690 8.163 1.527 19945 15743 1 16 . 1 1 132 132 GLY N N 132 107.870 107.870 108.293 -0.423 19945 15744 1 16 . 1 1 132 132 GLY C C 132 173.354 173.354 173.522 -0.168 19945 15745 1 16 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.044 0.602 19945 15746 1 16 . 1 1 132 132 GLY H H 132 9.187 9.187 7.754 1.433 19945 15747 1 16 . 1 1 133 133 LEU N N 133 119.088 119.088 119.064 0.024 19945 15748 1 16 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.120 0.523 19945 15749 1 16 . 1 1 133 133 LEU C C 133 177.748 177.748 176.430 1.318 19945 15750 1 16 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.701 -0.225 19945 15751 1 16 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.005 -1.501 19945 15752 1 16 . 1 1 133 133 LEU H H 133 7.098 7.098 7.481 -0.383 19945 15753 1 16 . 1 1 134 134 ALA N N 134 125.720 125.720 127.184 -1.464 19945 15754 1 16 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.468 -0.231 19945 15755 1 16 . 1 1 134 134 ALA C C 134 176.695 176.695 176.952 -0.257 19945 15756 1 16 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.356 -0.068 19945 15757 1 16 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.922 -1.310 19945 15758 1 16 . 1 1 134 134 ALA H H 134 9.154 9.154 8.860 0.294 19945 15759 1 16 . 1 1 135 135 ASP N N 135 114.952 114.952 117.417 -2.465 19945 15760 1 16 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.833 -0.304 19945 15761 1 16 . 1 1 135 135 ASP C C 135 175.130 175.130 175.366 -0.236 19945 15762 1 16 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.016 -0.056 19945 15763 1 16 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.661 -3.133 19945 15764 1 16 . 1 1 135 135 ASP H H 135 8.299 8.299 7.850 0.449 19945 15765 1 16 . 1 1 136 136 ASP N N 136 114.870 114.870 119.759 -4.889 19945 15766 1 16 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.346 -0.011 19945 15767 1 16 . 1 1 136 136 ASP C C 136 176.303 176.303 175.817 0.486 19945 15768 1 16 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.537 1.307 19945 15769 1 16 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.156 -0.292 19945 15770 1 16 . 1 1 136 136 ASP H H 136 8.433 8.433 8.618 -0.185 19945 15771 1 16 . 1 1 137 137 ASP N N 137 113.709 113.709 111.748 1.961 19945 15772 1 16 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.616 0.215 19945 15773 1 16 . 1 1 137 137 ASP C C 137 176.514 176.514 175.080 1.434 19945 15774 1 16 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.532 -0.215 19945 15775 1 16 . 1 1 137 137 ASP CB C 137 42.458 42.458 40.941 1.517 19945 15776 1 16 . 1 1 137 137 ASP H H 137 8.232 8.232 8.104 0.128 19945 15777 1 16 . 1 1 138 138 HIS N N 138 117.829 117.829 119.386 -1.557 19945 15778 1 16 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.111 0.171 19945 15779 1 16 . 1 1 138 138 HIS C C 138 175.130 175.130 173.114 2.016 19945 15780 1 16 . 1 1 138 138 HIS CA C 138 56.599 56.599 56.154 0.445 19945 15781 1 16 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.254 -1.254 19945 15782 1 16 . 1 1 138 138 HIS H H 138 7.764 7.764 7.957 -0.193 19945 15783 1 16 . 1 1 139 139 PHE N N 139 123.553 123.553 123.039 0.514 19945 15784 1 16 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.704 0.315 19945 15785 1 16 . 1 1 139 139 PHE C C 139 177.477 177.477 177.012 0.465 19945 15786 1 16 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.956 -0.397 19945 15787 1 16 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.815 3.057 19945 15788 1 16 . 1 1 139 139 PHE H H 139 9.955 9.955 9.534 0.421 19945 15789 1 16 . 1 1 140 140 VAL N N 140 119.420 119.420 121.579 -2.159 19945 15790 1 16 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.033 -0.355 19945 15791 1 16 . 1 1 140 140 VAL C C 140 173.023 173.023 175.474 -2.451 19945 15792 1 16 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.391 -2.274 19945 15793 1 16 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.485 0.051 19945 15794 1 16 . 1 1 140 140 VAL H H 140 9.178 9.178 8.680 0.498 19945 15795 1 16 . 1 1 141 141 GLY N N 141 105.680 105.680 103.558 2.122 19945 15796 1 16 . 1 1 141 141 GLY C C 141 171.284 171.284 172.876 -1.592 19945 15797 1 16 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.498 1.223 19945 15798 1 16 . 1 1 141 141 GLY H H 141 6.837 6.837 7.494 -0.657 19945 15799 1 16 . 1 1 142 142 LEU N N 142 118.516 118.516 120.718 -2.202 19945 15800 1 16 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.714 -0.667 19945 15801 1 16 . 1 1 142 142 LEU C C 142 173.725 173.725 174.261 -0.536 19945 15802 1 16 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.660 1.044 19945 15803 1 16 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.816 -2.076 19945 15804 1 16 . 1 1 142 142 LEU H H 142 7.423 7.423 7.894 -0.471 19945 15805 1 16 . 1 1 143 143 ALA N N 143 128.382 128.382 129.059 -0.677 19945 15806 1 16 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.492 -0.018 19945 15807 1 16 . 1 1 143 143 ALA C C 143 175.685 175.685 175.483 0.202 19945 15808 1 16 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.745 -0.114 19945 15809 1 16 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.693 0.154 19945 15810 1 16 . 1 1 143 143 ALA H H 143 5.414 5.414 7.545 -2.131 19945 15811 1 16 . 1 1 144 144 ILE N N 144 126.754 126.754 123.968 2.786 19945 15812 1 16 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.420 -0.105 19945 15813 1 16 . 1 1 144 144 ILE C C 144 173.725 173.725 173.391 0.334 19945 15814 1 16 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.517 -3.796 19945 15815 1 16 . 1 1 144 144 ILE CB C 144 37.630 37.630 40.892 -3.262 19945 15816 1 16 . 1 1 144 144 ILE H H 144 8.849 8.849 8.230 0.619 19945 15817 1 16 . 1 1 145 145 ASP N N 145 125.518 125.518 126.496 -0.978 19945 15818 1 16 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.762 1.034 19945 15819 1 16 . 1 1 145 145 ASP C C 145 176.830 176.830 173.545 3.285 19945 15820 1 16 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.701 -1.148 19945 15821 1 16 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.197 0.305 19945 15822 1 16 . 1 1 145 145 ASP H H 145 8.088 8.088 8.583 -0.495 19945 15823 1 16 . 1 1 146 146 GLU N N 146 125.475 125.475 121.908 3.567 19945 15824 1 16 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.382 0.281 19945 15825 1 16 . 1 1 146 146 GLU C C 146 177.132 177.132 176.073 1.059 19945 15826 1 16 . 1 1 146 146 GLU CA C 146 56.273 56.273 55.494 0.779 19945 15827 1 16 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.130 1.120 19945 15828 1 16 . 1 1 146 146 GLU H H 146 8.390 8.390 8.420 -0.030 19945 15829 1 16 . 1 1 147 147 ASP N N 147 120.137 120.137 123.537 -3.400 19945 15830 1 16 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.115 0.452 19945 15831 1 16 . 1 1 147 147 ASP C C 147 178.126 178.126 174.785 3.341 19945 15832 1 16 . 1 1 147 147 ASP CA C 147 58.001 58.001 57.708 0.293 19945 15833 1 16 . 1 1 147 147 ASP CB C 147 43.250 43.250 40.923 2.327 19945 15834 1 16 . 1 1 147 147 ASP H H 147 8.599 8.599 8.784 -0.185 19945 15835 1 16 . 1 1 148 148 ARG N N 148 115.655 115.655 115.638 0.017 19945 15836 1 16 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.452 0.246 19945 15837 1 16 . 1 1 148 148 ARG C C 148 177.704 177.704 174.680 3.024 19945 15838 1 16 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.463 -3.503 19945 15839 1 16 . 1 1 148 148 ARG CB C 148 30.814 30.814 32.924 -2.110 19945 15840 1 16 . 1 1 148 148 ARG H H 148 9.762 9.762 7.996 1.766 19945 15841 1 16 . 1 1 149 149 GLN N N 149 116.313 116.313 118.073 -1.760 19945 15842 1 16 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.972 0.327 19945 15843 1 16 . 1 1 149 149 GLN C C 149 175.142 175.142 173.283 1.859 19945 15844 1 16 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.433 0.968 19945 15845 1 16 . 1 1 149 149 GLN CB C 149 30.841 30.841 30.950 -0.109 19945 15846 1 16 . 1 1 149 149 GLN H H 149 7.622 7.622 7.634 -0.012 19945 15847 1 16 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.581 0.100 19945 15848 1 16 . 1 1 150 150 PRO C C 150 179.483 179.483 175.977 3.506 19945 15849 1 16 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.075 2.251 19945 15850 1 16 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.978 -2.326 19945 15851 1 16 . 1 1 151 151 GLU N N 151 122.981 122.981 120.341 2.640 19945 15852 1 16 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.500 -0.099 19945 15853 1 16 . 1 1 151 151 GLU C C 151 177.041 177.041 177.211 -0.170 19945 15854 1 16 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.437 1.961 19945 15855 1 16 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.889 -4.306 19945 15856 1 16 . 1 1 151 151 GLU H H 151 10.520 10.520 9.488 1.032 19945 15857 1 16 . 1 1 152 152 LEU N N 152 120.119 120.119 122.667 -2.548 19945 15858 1 16 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.589 0.102 19945 15859 1 16 . 1 1 152 152 LEU C C 152 177.222 177.222 177.601 -0.379 19945 15860 1 16 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.526 -0.217 19945 15861 1 16 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.238 0.697 19945 15862 1 16 . 1 1 152 152 LEU H H 152 7.589 7.589 8.605 -1.016 19945 15863 1 16 . 1 1 153 153 THR N N 153 119.637 119.637 117.360 2.277 19945 15864 1 16 . 1 1 153 153 THR HA H 153 3.592 3.592 3.877 -0.285 19945 15865 1 16 . 1 1 153 153 THR C C 153 174.178 174.178 176.171 -1.993 19945 15866 1 16 . 1 1 153 153 THR CA C 153 67.960 67.960 66.949 1.011 19945 15867 1 16 . 1 1 153 153 THR CB C 153 69.023 69.023 68.673 0.350 19945 15868 1 16 . 1 1 153 153 THR H H 153 7.469 7.469 8.127 -0.658 19945 15869 1 16 . 1 1 154 154 ALA N N 154 123.665 123.665 122.790 0.875 19945 15870 1 16 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.043 -0.155 19945 15871 1 16 . 1 1 154 154 ALA C C 154 180.417 180.417 179.345 1.072 19945 15872 1 16 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.224 1.314 19945 15873 1 16 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.545 -1.323 19945 15874 1 16 . 1 1 154 154 ALA H H 154 9.077 9.077 8.686 0.391 19945 15875 1 16 . 1 1 155 155 GLU N N 155 119.661 119.661 117.781 1.880 19945 15876 1 16 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.042 0.210 19945 15877 1 16 . 1 1 155 155 GLU C C 155 178.518 178.518 178.960 -0.442 19945 15878 1 16 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.206 -0.388 19945 15879 1 16 . 1 1 155 155 GLU CB C 155 29.707 29.707 28.806 0.901 19945 15880 1 16 . 1 1 155 155 GLU H H 155 8.647 8.647 8.755 -0.108 19945 15881 1 16 . 1 1 156 156 ARG N N 156 120.739 120.739 119.370 1.369 19945 15882 1 16 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.326 -0.108 19945 15883 1 16 . 1 1 156 156 ARG C C 156 177.252 177.252 178.980 -1.728 19945 15884 1 16 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.088 1.381 19945 15885 1 16 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.183 0.841 19945 15886 1 16 . 1 1 156 156 ARG H H 156 8.129 8.129 7.668 0.461 19945 15887 1 16 . 1 1 157 157 VAL N N 157 117.372 117.372 117.411 -0.039 19945 15888 1 16 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.826 -0.507 19945 15889 1 16 . 1 1 157 157 VAL C C 157 177.192 177.192 177.672 -0.480 19945 15890 1 16 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.347 1.054 19945 15891 1 16 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.241 0.591 19945 15892 1 16 . 1 1 157 157 VAL H H 157 8.578 8.578 7.987 0.591 19945 15893 1 16 . 1 1 158 158 GLU N N 158 118.631 118.631 122.275 -3.644 19945 15894 1 16 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.158 0.039 19945 15895 1 16 . 1 1 158 158 GLU C C 158 179.995 179.995 179.159 0.836 19945 15896 1 16 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.088 -0.350 19945 15897 1 16 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.415 -0.238 19945 15898 1 16 . 1 1 158 158 GLU H H 158 8.046 8.046 8.470 -0.424 19945 15899 1 16 . 1 1 159 159 LYS N N 159 118.860 118.860 120.132 -1.272 19945 15900 1 16 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.124 0.062 19945 15901 1 16 . 1 1 159 159 LYS C C 159 179.844 179.844 178.957 0.887 19945 15902 1 16 . 1 1 159 159 LYS CA C 159 59.995 59.995 60.118 -0.123 19945 15903 1 16 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.593 1.099 19945 15904 1 16 . 1 1 159 159 LYS H H 159 8.522 8.522 8.344 0.178 19945 15905 1 16 . 1 1 160 160 TRP N N 160 125.100 125.100 121.644 3.456 19945 15906 1 16 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.478 -0.108 19945 15907 1 16 . 1 1 160 160 TRP C C 160 178.006 178.006 177.925 0.081 19945 15908 1 16 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.766 1.048 19945 15909 1 16 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.362 -0.570 19945 15910 1 16 . 1 1 160 160 TRP H H 160 9.076 9.076 8.620 0.456 19945 15911 1 16 . 1 1 161 161 VAL N N 161 118.402 118.402 119.099 -0.697 19945 15912 1 16 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.243 0.127 19945 15913 1 16 . 1 1 161 161 VAL C C 161 179.392 179.392 178.502 0.890 19945 15914 1 16 . 1 1 161 161 VAL CA C 161 67.004 67.004 67.059 -0.055 19945 15915 1 16 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.200 -0.850 19945 15916 1 16 . 1 1 161 161 VAL H H 161 9.024 9.024 8.681 0.343 19945 15917 1 16 . 1 1 162 162 LYS N N 162 123.209 123.209 119.508 3.701 19945 15918 1 16 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.925 0.077 19945 15919 1 16 . 1 1 162 162 LYS C C 162 178.759 178.759 179.294 -0.535 19945 15920 1 16 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.871 0.501 19945 15921 1 16 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.257 0.107 19945 15922 1 16 . 1 1 162 162 LYS H H 162 7.820 7.820 8.320 -0.500 19945 15923 1 16 . 1 1 163 163 GLN N N 163 121.722 121.722 118.407 3.315 19945 15924 1 16 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.029 0.161 19945 15925 1 16 . 1 1 163 163 GLN C C 163 179.935 179.935 178.696 1.239 19945 15926 1 16 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.669 1.057 19945 15927 1 16 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.820 0.202 19945 15928 1 16 . 1 1 163 163 GLN H H 163 8.126 8.126 8.073 0.053 19945 15929 1 16 . 1 1 164 164 ILE N N 164 114.390 114.390 115.854 -1.464 19945 15930 1 16 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.728 0.262 19945 15931 1 16 . 1 1 164 164 ILE C C 164 178.156 178.156 177.898 0.258 19945 15932 1 16 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.110 1.066 19945 15933 1 16 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.029 0.649 19945 15934 1 16 . 1 1 164 164 ILE H H 164 9.110 9.110 8.136 0.974 19945 15935 1 16 . 1 1 165 165 SER N N 165 119.660 119.660 116.810 2.850 19945 15936 1 16 . 1 1 165 165 SER HA H 165 3.976 3.976 4.007 -0.031 19945 15937 1 16 . 1 1 165 165 SER C C 165 176.438 176.438 176.491 -0.053 19945 15938 1 16 . 1 1 165 165 SER CA C 165 63.180 63.180 62.842 0.338 19945 15939 1 16 . 1 1 165 165 SER CB C 165 62.383 62.383 62.692 -0.309 19945 15940 1 16 . 1 1 165 165 SER H H 165 8.278 8.278 8.325 -0.047 19945 15941 1 16 . 1 1 166 166 GLU N N 166 122.290 122.290 120.283 2.007 19945 15942 1 16 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.077 0.133 19945 15943 1 16 . 1 1 166 166 GLU C C 166 179.965 179.965 177.516 2.449 19945 15944 1 16 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.050 1.145 19945 15945 1 16 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.712 -0.468 19945 15946 1 16 . 1 1 166 166 GLU H H 166 7.345 7.345 7.691 -0.346 19945 15947 1 16 . 1 1 167 167 GLU N N 167 120.787 120.787 118.318 2.469 19945 15948 1 16 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.030 -0.091 19945 15949 1 16 . 1 1 167 167 GLU C C 167 178.518 178.518 178.127 0.391 19945 15950 1 16 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.441 1.559 19945 15951 1 16 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.274 0.526 19945 15952 1 16 . 1 1 167 167 GLU H H 167 8.413 8.413 7.540 0.873 19945 15953 1 16 . 1 1 168 168 LEU N N 168 115.420 115.420 116.777 -1.357 19945 15954 1 16 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.299 -0.162 19945 15955 1 16 . 1 1 168 168 LEU C C 168 175.896 175.896 176.620 -0.724 19945 15956 1 16 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.022 -0.242 19945 15957 1 16 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.488 0.812 19945 15958 1 16 . 1 1 168 168 LEU H H 168 8.553 8.553 7.988 0.565 19945 15959 1 16 . 1 1 169 169 HIS N N 169 113.347 113.347 113.082 0.265 19945 15960 1 16 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.320 0.031 19945 15961 1 16 . 1 1 169 169 HIS C C 169 175.835 175.835 176.010 -0.175 19945 15962 1 16 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.000 -0.727 19945 15963 1 16 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.599 -0.877 19945 15964 1 16 . 1 1 169 169 HIS H H 169 7.550 7.550 7.848 -0.298 19945 15965 1 16 . 1 1 170 170 LEU N N 170 117.250 117.250 118.618 -1.368 19945 15966 1 16 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.142 -0.139 19945 15967 1 16 . 1 1 170 170 LEU C C 170 178.096 178.096 177.722 0.374 19945 15968 1 16 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.503 1.465 19945 15969 1 16 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.338 0.520 19945 15970 1 16 . 1 1 170 170 LEU H H 170 8.069 8.069 7.842 0.227 19945 15971 1 16 . 1 1 171 171 ASP N N 171 117.300 117.300 119.869 -2.569 19945 15972 1 16 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.236 0.099 19945 15973 1 16 . 1 1 171 171 ASP C C 171 177.915 177.915 177.882 0.033 19945 15974 1 16 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.064 -1.374 19945 15975 1 16 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.787 -0.727 19945 15976 1 16 . 1 1 171 171 ASP H H 171 8.732 8.732 8.384 0.348 19945 15977 1 16 . 1 1 172 172 GLU N N 172 119.203 119.203 116.432 2.771 19945 15978 1 16 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.186 0.041 19945 15979 1 16 . 1 1 172 172 GLU C C 172 178.277 178.277 177.568 0.709 19945 15980 1 16 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.049 0.083 19945 15981 1 16 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.433 0.567 19945 15982 1 16 . 1 1 172 172 GLU H H 172 7.804 7.804 7.936 -0.132 19945 15983 1 16 . 1 1 173 173 ILE N N 173 119.519 119.519 117.423 2.096 19945 15984 1 16 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.113 -0.060 19945 15985 1 16 . 1 1 173 173 ILE C C 173 178.006 178.006 178.173 -0.167 19945 15986 1 16 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.397 0.203 19945 15987 1 16 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.209 -0.208 19945 15988 1 16 . 1 1 173 173 ILE H H 173 7.787 7.787 7.652 0.135 19945 15989 1 16 . 1 1 174 174 LEU N N 174 121.260 121.260 117.809 3.451 19945 15990 1 16 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.299 -0.013 19945 15991 1 16 . 1 1 174 174 LEU C C 174 177.704 177.704 177.436 0.268 19945 15992 1 16 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.305 -1.032 19945 15993 1 16 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.361 0.098 19945 15994 1 16 . 1 1 174 174 LEU H H 174 8.241 8.241 8.368 -0.127 19945 15995 1 16 . 1 1 175 175 ASN N N 175 118.280 118.280 117.682 0.598 19945 15996 1 16 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.817 0.012 19945 15997 1 16 . 1 1 175 175 ASN C C 175 173.846 173.846 174.917 -1.071 19945 15998 1 16 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.665 1.557 19945 15999 1 16 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.337 -0.066 19945 16000 1 16 . 1 1 175 175 ASN H H 175 7.883 7.883 8.062 -0.179 19945 16001 1 17 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.570 -0.318 19945 16002 1 17 . 1 1 2 2 ALA C C 2 174.479 174.479 177.304 -2.825 19945 16003 1 17 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.840 0.628 19945 16004 1 17 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.511 -0.344 19945 16005 1 17 . 1 1 3 3 ILE N N 3 116.571 116.571 115.468 1.103 19945 16006 1 17 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.698 -0.153 19945 16007 1 17 . 1 1 3 3 ILE C C 3 175.806 175.806 175.541 0.265 19945 16008 1 17 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.267 1.928 19945 16009 1 17 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.425 -0.015 19945 16010 1 17 . 1 1 3 3 ILE H H 3 8.456 8.456 8.591 -0.135 19945 16011 1 17 . 1 1 4 4 THR N N 4 115.734 115.734 119.204 -3.470 19945 16012 1 17 . 1 1 4 4 THR HA H 4 5.124 5.124 5.107 0.017 19945 16013 1 17 . 1 1 4 4 THR C C 4 172.410 172.410 173.564 -1.154 19945 16014 1 17 . 1 1 4 4 THR CA C 4 61.724 61.724 61.694 0.030 19945 16015 1 17 . 1 1 4 4 THR CB C 4 70.059 70.059 70.237 -0.178 19945 16016 1 17 . 1 1 4 4 THR H H 4 8.244 8.244 8.121 0.123 19945 16017 1 17 . 1 1 5 5 GLY N N 5 116.016 116.016 113.025 2.991 19945 16018 1 17 . 1 1 5 5 GLY C C 5 171.077 171.077 172.522 -1.445 19945 16019 1 17 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.267 0.242 19945 16020 1 17 . 1 1 5 5 GLY H H 5 8.554 8.554 8.729 -0.175 19945 16021 1 17 . 1 1 6 6 ILE N N 6 126.504 126.504 127.265 -0.761 19945 16022 1 17 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.849 0.602 19945 16023 1 17 . 1 1 6 6 ILE C C 6 175.245 175.245 174.927 0.318 19945 16024 1 17 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.724 -0.806 19945 16025 1 17 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.818 0.390 19945 16026 1 17 . 1 1 6 6 ILE H H 6 8.719 8.719 8.936 -0.217 19945 16027 1 17 . 1 1 7 7 PHE N N 7 127.559 127.559 126.885 0.674 19945 16028 1 17 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.090 0.523 19945 16029 1 17 . 1 1 7 7 PHE C C 7 174.634 174.634 175.332 -0.698 19945 16030 1 17 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.921 -1.258 19945 16031 1 17 . 1 1 7 7 PHE CB C 7 41.688 41.688 39.904 1.784 19945 16032 1 17 . 1 1 7 7 PHE H H 7 9.609 9.609 9.483 0.126 19945 16033 1 17 . 1 1 8 8 PHE N N 8 120.006 120.006 121.332 -1.326 19945 16034 1 17 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.408 0.816 19945 16035 1 17 . 1 1 8 8 PHE C C 8 171.212 171.212 174.252 -3.040 19945 16036 1 17 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.056 -0.377 19945 16037 1 17 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.207 1.314 19945 16038 1 17 . 1 1 8 8 PHE H H 8 8.545 8.545 8.944 -0.399 19945 16039 1 17 . 1 1 9 9 GLY N N 9 109.650 109.650 110.589 -0.939 19945 16040 1 17 . 1 1 9 9 GLY C C 9 172.512 172.512 172.786 -0.274 19945 16041 1 17 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.666 0.652 19945 16042 1 17 . 1 1 9 9 GLY H H 9 7.701 7.701 7.846 -0.145 19945 16043 1 17 . 1 1 10 10 SER N N 10 115.953 115.953 115.674 0.279 19945 16044 1 17 . 1 1 10 10 SER HA H 10 5.001 5.001 4.716 0.285 19945 16045 1 17 . 1 1 10 10 SER C C 10 173.439 173.439 173.141 0.298 19945 16046 1 17 . 1 1 10 10 SER CA C 10 58.308 58.308 57.798 0.510 19945 16047 1 17 . 1 1 10 10 SER CB C 10 66.423 66.423 66.577 -0.154 19945 16048 1 17 . 1 1 10 10 SER H H 10 8.634 8.634 7.921 0.713 19945 16049 1 17 . 1 1 11 11 ASP N N 11 104.000 104.000 120.677 -16.677 19945 16050 1 17 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.605 0.369 19945 16051 1 17 . 1 1 11 11 ASP C C 11 179.108 179.108 177.038 2.070 19945 16052 1 17 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.157 0.392 19945 16053 1 17 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.067 -0.967 19945 16054 1 17 . 1 1 11 11 ASP H H 11 11.201 11.201 8.630 2.571 19945 16055 1 17 . 1 1 12 12 THR N N 12 112.000 112.000 111.580 0.420 19945 16056 1 17 . 1 1 12 12 THR HA H 12 4.804 4.804 4.422 0.382 19945 16057 1 17 . 1 1 12 12 THR C C 12 175.080 175.080 175.115 -0.035 19945 16058 1 17 . 1 1 12 12 THR CA C 12 60.237 60.237 61.709 -1.472 19945 16059 1 17 . 1 1 12 12 THR CB C 12 68.567 68.567 69.729 -1.162 19945 16060 1 17 . 1 1 12 12 THR H H 12 9.311 9.311 8.057 1.254 19945 16061 1 17 . 1 1 13 13 GLY N N 13 112.221 112.221 110.139 2.082 19945 16062 1 17 . 1 1 13 13 GLY C C 13 176.690 176.690 175.675 1.015 19945 16063 1 17 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.915 0.385 19945 16064 1 17 . 1 1 13 13 GLY H H 13 8.000 8.000 8.151 -0.151 19945 16065 1 17 . 1 1 14 14 ASN N N 14 128.520 128.520 118.658 9.862 19945 16066 1 17 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.428 0.198 19945 16067 1 17 . 1 1 14 14 ASN C C 14 178.888 178.888 176.722 2.166 19945 16068 1 17 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.220 1.844 19945 16069 1 17 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.430 -1.596 19945 16070 1 17 . 1 1 14 14 ASN H H 14 11.112 11.112 8.580 2.532 19945 16071 1 17 . 1 1 15 15 THR N N 15 122.550 122.550 116.249 6.301 19945 16072 1 17 . 1 1 15 15 THR HA H 15 4.369 4.369 4.089 0.280 19945 16073 1 17 . 1 1 15 15 THR C C 15 176.786 176.786 175.491 1.295 19945 16074 1 17 . 1 1 15 15 THR CA C 15 67.325 67.325 65.472 1.853 19945 16075 1 17 . 1 1 15 15 THR CB C 15 67.961 67.961 68.097 -0.136 19945 16076 1 17 . 1 1 15 15 THR H H 15 11.327 11.327 7.735 3.592 19945 16077 1 17 . 1 1 16 16 GLU N N 16 120.578 120.578 122.328 -1.750 19945 16078 1 17 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.561 -0.274 19945 16079 1 17 . 1 1 16 16 GLU C C 16 176.642 176.642 177.837 -1.195 19945 16080 1 17 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.620 -0.551 19945 16081 1 17 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.088 -0.711 19945 16082 1 17 . 1 1 16 16 GLU H H 16 6.590 6.590 7.893 -1.303 19945 16083 1 17 . 1 1 17 17 ASN N N 17 118.000 118.000 118.119 -0.119 19945 16084 1 17 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.426 -0.116 19945 16085 1 17 . 1 1 17 17 ASN C C 17 178.255 178.255 177.722 0.533 19945 16086 1 17 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.827 0.474 19945 16087 1 17 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.894 -0.256 19945 16088 1 17 . 1 1 17 17 ASN H H 17 7.705 7.705 7.596 0.109 19945 16089 1 17 . 1 1 18 18 ILE N N 18 119.430 119.430 119.831 -0.401 19945 16090 1 17 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.777 -0.126 19945 16091 1 17 . 1 1 18 18 ILE C C 18 177.564 177.564 177.746 -0.182 19945 16092 1 17 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.026 -0.526 19945 16093 1 17 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.449 -1.898 19945 16094 1 17 . 1 1 18 18 ILE H H 18 8.141 8.141 7.276 0.865 19945 16095 1 17 . 1 1 19 19 ALA N N 19 123.208 123.208 122.652 0.556 19945 16096 1 17 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.849 -0.180 19945 16097 1 17 . 1 1 19 19 ALA C C 19 178.888 178.888 179.587 -0.699 19945 16098 1 17 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.502 0.153 19945 16099 1 17 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.021 0.794 19945 16100 1 17 . 1 1 19 19 ALA H H 19 8.304 8.304 8.412 -0.108 19945 16101 1 17 . 1 1 20 20 LYS N N 20 116.460 116.460 118.813 -2.353 19945 16102 1 17 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.974 -0.158 19945 16103 1 17 . 1 1 20 20 LYS C C 20 179.666 179.666 179.097 0.569 19945 16104 1 17 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.389 0.433 19945 16105 1 17 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.331 -0.233 19945 16106 1 17 . 1 1 20 20 LYS H H 20 7.722 7.722 8.074 -0.352 19945 16107 1 17 . 1 1 21 21 MET N N 21 123.880 123.880 119.338 4.542 19945 16108 1 17 . 1 1 21 21 MET HA H 21 3.946 3.946 3.972 -0.026 19945 16109 1 17 . 1 1 21 21 MET C C 21 179.435 179.435 178.556 0.879 19945 16110 1 17 . 1 1 21 21 MET CA C 21 59.662 59.662 59.469 0.192 19945 16111 1 17 . 1 1 21 21 MET CB C 21 34.262 34.262 32.491 1.771 19945 16112 1 17 . 1 1 21 21 MET H H 21 8.336 8.336 8.129 0.207 19945 16113 1 17 . 1 1 22 22 ILE N N 22 122.065 122.065 119.912 2.153 19945 16114 1 17 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.533 -0.288 19945 16115 1 17 . 1 1 22 22 ILE C C 22 177.592 177.592 177.946 -0.354 19945 16116 1 17 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.706 0.018 19945 16117 1 17 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.480 0.196 19945 16118 1 17 . 1 1 22 22 ILE H H 22 8.500 8.500 8.077 0.423 19945 16119 1 17 . 1 1 23 23 GLN N N 23 119.264 119.264 119.532 -0.268 19945 16120 1 17 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.856 -0.412 19945 16121 1 17 . 1 1 23 23 GLN C C 23 177.017 177.017 178.414 -1.397 19945 16122 1 17 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.317 0.374 19945 16123 1 17 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.660 -0.812 19945 16124 1 17 . 1 1 23 23 GLN H H 23 7.985 7.985 8.283 -0.298 19945 16125 1 17 . 1 1 24 24 LYS N N 24 118.970 118.970 118.533 0.437 19945 16126 1 17 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.017 -0.097 19945 16127 1 17 . 1 1 24 24 LYS C C 24 178.427 178.427 179.496 -1.069 19945 16128 1 17 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.741 0.419 19945 16129 1 17 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.017 0.347 19945 16130 1 17 . 1 1 24 24 LYS H H 24 7.942 7.942 8.207 -0.265 19945 16131 1 17 . 1 1 25 25 GLN N N 25 118.400 118.400 118.436 -0.036 19945 16132 1 17 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.088 -0.085 19945 16133 1 17 . 1 1 25 25 GLN C C 25 178.226 178.226 178.236 -0.010 19945 16134 1 17 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.132 -0.049 19945 16135 1 17 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.985 -0.075 19945 16136 1 17 . 1 1 25 25 GLN H H 25 7.636 7.636 7.623 0.013 19945 16137 1 17 . 1 1 26 26 LEU N N 26 119.080 119.080 116.487 2.593 19945 16138 1 17 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.103 -0.084 19945 16139 1 17 . 1 1 26 26 LEU C C 26 177.247 177.247 177.333 -0.086 19945 16140 1 17 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.137 0.932 19945 16141 1 17 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.676 0.473 19945 16142 1 17 . 1 1 26 26 LEU H H 26 8.098 8.098 7.924 0.174 19945 16143 1 17 . 1 1 27 27 GLY N N 27 107.750 107.750 104.679 3.071 19945 16144 1 17 . 1 1 27 27 GLY C C 27 175.231 175.231 174.880 0.351 19945 16145 1 17 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.498 -0.438 19945 16146 1 17 . 1 1 27 27 GLY H H 27 8.050 8.050 7.896 0.154 19945 16147 1 17 . 1 1 28 28 LYS N N 28 125.187 125.187 121.553 3.634 19945 16148 1 17 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.243 -0.020 19945 16149 1 17 . 1 1 28 28 LYS C C 28 176.372 176.372 176.387 -0.015 19945 16150 1 17 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.092 0.837 19945 16151 1 17 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.416 -0.318 19945 16152 1 17 . 1 1 28 28 LYS H H 28 8.786 8.786 8.523 0.263 19945 16153 1 17 . 1 1 29 29 ASP N N 29 115.960 115.960 116.668 -0.708 19945 16154 1 17 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.607 -0.032 19945 16155 1 17 . 1 1 29 29 ASP C C 29 176.437 176.437 177.656 -1.219 19945 16156 1 17 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.444 -0.234 19945 16157 1 17 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.724 -0.922 19945 16158 1 17 . 1 1 29 29 ASP H H 29 8.919 8.919 8.215 0.704 19945 16159 1 17 . 1 1 30 30 VAL N N 30 120.609 120.609 118.843 1.766 19945 16160 1 17 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.121 -0.065 19945 16161 1 17 . 1 1 30 30 VAL C C 30 174.656 174.656 175.051 -0.395 19945 16162 1 17 . 1 1 30 30 VAL CA C 30 63.720 63.720 62.897 0.824 19945 16163 1 17 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.957 -0.119 19945 16164 1 17 . 1 1 30 30 VAL H H 30 7.573 7.573 7.710 -0.137 19945 16165 1 17 . 1 1 31 31 ALA N N 31 123.100 123.100 120.407 2.693 19945 16166 1 17 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.231 0.300 19945 16167 1 17 . 1 1 31 31 ALA C C 31 175.174 175.174 174.684 0.490 19945 16168 1 17 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.440 -0.278 19945 16169 1 17 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.780 0.551 19945 16170 1 17 . 1 1 31 31 ALA H H 31 7.951 7.951 8.169 -0.218 19945 16171 1 17 . 1 1 32 32 ASP N N 32 121.576 121.576 119.824 1.752 19945 16172 1 17 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.965 -0.096 19945 16173 1 17 . 1 1 32 32 ASP C C 32 174.771 174.771 174.526 0.245 19945 16174 1 17 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.192 0.220 19945 16175 1 17 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.902 -1.115 19945 16176 1 17 . 1 1 32 32 ASP H H 32 8.175 8.175 8.517 -0.342 19945 16177 1 17 . 1 1 33 33 VAL N N 33 120.428 120.428 123.740 -3.312 19945 16178 1 17 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.901 -0.244 19945 16179 1 17 . 1 1 33 33 VAL C C 33 174.252 174.252 175.346 -1.094 19945 16180 1 17 . 1 1 33 33 VAL CA C 33 61.303 61.303 62.167 -0.864 19945 16181 1 17 . 1 1 33 33 VAL CB C 33 33.876 33.876 32.719 1.157 19945 16182 1 17 . 1 1 33 33 VAL H H 33 8.397 8.397 8.379 0.018 19945 16183 1 17 . 1 1 34 34 HIS N N 34 125.285 125.285 125.688 -0.403 19945 16184 1 17 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.828 -0.275 19945 16185 1 17 . 1 1 34 34 HIS C C 34 171.920 171.920 172.560 -0.640 19945 16186 1 17 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.108 -1.537 19945 16187 1 17 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.293 -0.873 19945 16188 1 17 . 1 1 34 34 HIS H H 34 8.945 8.945 9.277 -0.332 19945 16189 1 17 . 1 1 35 35 ASP N N 35 124.120 124.120 119.589 4.531 19945 16190 1 17 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.988 -1.691 19945 16191 1 17 . 1 1 35 35 ASP C C 35 179.780 179.780 176.311 3.469 19945 16192 1 17 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.562 -0.806 19945 16193 1 17 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.963 -1.567 19945 16194 1 17 . 1 1 35 35 ASP H H 35 8.589 8.589 8.852 -0.263 19945 16195 1 17 . 1 1 36 36 ILE N N 36 106.681 106.681 127.565 -20.884 19945 16196 1 17 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.333 0.221 19945 16197 1 17 . 1 1 36 36 ILE C C 36 175.404 175.404 176.727 -1.323 19945 16198 1 17 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.753 -3.403 19945 16199 1 17 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.096 2.175 19945 16200 1 17 . 1 1 36 36 ILE H H 36 9.705 9.705 8.749 0.956 19945 16201 1 17 . 1 1 37 37 ALA N N 37 123.095 123.095 122.325 0.770 19945 16202 1 17 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.048 0.041 19945 16203 1 17 . 1 1 37 37 ALA C C 37 178.140 178.140 178.150 -0.010 19945 16204 1 17 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.589 -0.973 19945 16205 1 17 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.736 0.610 19945 16206 1 17 . 1 1 37 37 ALA H H 37 8.261 8.261 8.156 0.105 19945 16207 1 17 . 1 1 38 38 LYS N N 38 115.312 115.312 115.421 -0.109 19945 16208 1 17 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.449 0.162 19945 16209 1 17 . 1 1 38 38 LYS C C 38 176.498 176.498 176.661 -0.163 19945 16210 1 17 . 1 1 38 38 LYS CA C 38 54.147 54.147 55.977 -1.830 19945 16211 1 17 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.273 0.153 19945 16212 1 17 . 1 1 38 38 LYS H H 38 7.437 7.437 7.693 -0.256 19945 16213 1 17 . 1 1 39 39 SER N N 39 115.623 115.623 116.734 -1.111 19945 16214 1 17 . 1 1 39 39 SER HA H 39 5.019 5.019 4.534 0.485 19945 16215 1 17 . 1 1 39 39 SER C C 39 171.402 171.402 174.083 -2.681 19945 16216 1 17 . 1 1 39 39 SER CA C 39 58.929 58.929 59.277 -0.348 19945 16217 1 17 . 1 1 39 39 SER CB C 39 65.538 65.538 64.477 1.061 19945 16218 1 17 . 1 1 39 39 SER H H 39 7.051 7.051 7.429 -0.378 19945 16219 1 17 . 1 1 40 40 SER N N 40 118.860 118.860 115.821 3.039 19945 16220 1 17 . 1 1 40 40 SER HA H 40 5.025 5.025 4.883 0.142 19945 16221 1 17 . 1 1 40 40 SER C C 40 174.741 174.741 174.805 -0.064 19945 16222 1 17 . 1 1 40 40 SER CA C 40 56.003 56.003 57.013 -1.010 19945 16223 1 17 . 1 1 40 40 SER CB C 40 67.416 67.416 66.208 1.208 19945 16224 1 17 . 1 1 40 40 SER H H 40 9.377 9.377 8.477 0.900 19945 16225 1 17 . 1 1 41 41 LYS N N 41 122.504 122.504 123.003 -0.499 19945 16226 1 17 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.033 -0.295 19945 16227 1 17 . 1 1 41 41 LYS C C 41 177.391 177.391 178.202 -0.811 19945 16228 1 17 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.020 0.953 19945 16229 1 17 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.306 1.002 19945 16230 1 17 . 1 1 41 41 LYS H H 41 9.098 9.098 8.861 0.237 19945 16231 1 17 . 1 1 42 42 GLU N N 42 115.836 115.836 115.711 0.125 19945 16232 1 17 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.129 -0.001 19945 16233 1 17 . 1 1 42 42 GLU C C 42 178.773 178.773 178.291 0.482 19945 16234 1 17 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.328 1.664 19945 16235 1 17 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.244 -0.600 19945 16236 1 17 . 1 1 42 42 GLU H H 42 8.839 8.839 8.672 0.167 19945 16237 1 17 . 1 1 43 43 ASP N N 43 119.589 119.589 120.682 -1.093 19945 16238 1 17 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.530 -0.044 19945 16239 1 17 . 1 1 43 43 ASP C C 43 177.564 177.564 177.853 -0.289 19945 16240 1 17 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.469 1.132 19945 16241 1 17 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.986 -0.180 19945 16242 1 17 . 1 1 43 43 ASP H H 43 7.794 7.794 7.639 0.155 19945 16243 1 17 . 1 1 44 44 LEU N N 44 118.745 118.745 119.317 -0.572 19945 16244 1 17 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.404 -0.433 19945 16245 1 17 . 1 1 44 44 LEU C C 44 178.600 178.600 179.059 -0.459 19945 16246 1 17 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.343 1.539 19945 16247 1 17 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.340 0.384 19945 16248 1 17 . 1 1 44 44 LEU H H 44 6.854 6.854 7.661 -0.807 19945 16249 1 17 . 1 1 45 45 GLU N N 45 114.280 114.280 118.902 -4.622 19945 16250 1 17 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.036 -0.409 19945 16251 1 17 . 1 1 45 45 GLU C C 45 176.988 176.988 178.361 -1.373 19945 16252 1 17 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.789 -0.113 19945 16253 1 17 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.178 1.060 19945 16254 1 17 . 1 1 45 45 GLU H H 45 7.571 7.571 7.672 -0.101 19945 16255 1 17 . 1 1 46 46 ALA N N 46 118.860 118.860 121.620 -2.760 19945 16256 1 17 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.095 -0.057 19945 16257 1 17 . 1 1 46 46 ALA C C 46 176.901 176.901 177.969 -1.068 19945 16258 1 17 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.335 -0.016 19945 16259 1 17 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.801 0.280 19945 16260 1 17 . 1 1 46 46 ALA H H 46 7.026 7.026 7.513 -0.487 19945 16261 1 17 . 1 1 47 47 TYR N N 47 115.674 115.674 116.657 -0.983 19945 16262 1 17 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.514 0.217 19945 16263 1 17 . 1 1 47 47 TYR C C 47 175.807 175.807 175.894 -0.087 19945 16264 1 17 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.377 -1.770 19945 16265 1 17 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.720 1.942 19945 16266 1 17 . 1 1 47 47 TYR H H 47 7.277 7.277 7.508 -0.231 19945 16267 1 17 . 1 1 48 48 ASP N N 48 121.598 121.598 121.081 0.517 19945 16268 1 17 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.916 -0.008 19945 16269 1 17 . 1 1 48 48 ASP C C 48 175.030 175.030 175.385 -0.355 19945 16270 1 17 . 1 1 48 48 ASP CA C 48 55.208 55.208 54.959 0.249 19945 16271 1 17 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.659 -1.013 19945 16272 1 17 . 1 1 48 48 ASP H H 48 9.546 9.546 8.635 0.911 19945 16273 1 17 . 1 1 49 49 ILE N N 49 119.608 119.608 120.448 -0.840 19945 16274 1 17 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.060 0.234 19945 16275 1 17 . 1 1 49 49 ILE C C 49 175.059 175.059 174.458 0.601 19945 16276 1 17 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.330 0.200 19945 16277 1 17 . 1 1 49 49 ILE CB C 49 40.068 40.068 39.915 0.153 19945 16278 1 17 . 1 1 49 49 ILE H H 49 7.331 7.331 7.774 -0.443 19945 16279 1 17 . 1 1 50 50 LEU N N 50 127.901 127.901 127.679 0.222 19945 16280 1 17 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.206 0.454 19945 16281 1 17 . 1 1 50 50 LEU C C 50 174.598 174.598 175.228 -0.630 19945 16282 1 17 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.434 -0.615 19945 16283 1 17 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.229 4.808 19945 16284 1 17 . 1 1 50 50 LEU H H 50 9.095 9.095 9.095 -0.000 19945 16285 1 17 . 1 1 51 51 LEU N N 51 123.440 123.440 126.098 -2.658 19945 16286 1 17 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.416 0.616 19945 16287 1 17 . 1 1 51 51 LEU C C 51 175.894 175.894 175.444 0.450 19945 16288 1 17 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.126 -0.815 19945 16289 1 17 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.681 -0.363 19945 16290 1 17 . 1 1 51 51 LEU H H 51 9.275 9.275 9.486 -0.211 19945 16291 1 17 . 1 1 52 52 LEU N N 52 123.320 123.320 125.334 -2.014 19945 16292 1 17 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.475 0.181 19945 16293 1 17 . 1 1 52 52 LEU C C 52 173.763 173.763 176.004 -2.241 19945 16294 1 17 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.384 -0.507 19945 16295 1 17 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.754 -2.268 19945 16296 1 17 . 1 1 52 52 LEU H H 52 9.024 9.024 9.110 -0.086 19945 16297 1 17 . 1 1 53 53 GLY N N 53 110.739 110.739 112.128 -1.389 19945 16298 1 17 . 1 1 53 53 GLY C C 53 174.530 174.530 171.583 2.947 19945 16299 1 17 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.264 -0.276 19945 16300 1 17 . 1 1 53 53 GLY H H 53 9.283 9.283 9.199 0.084 19945 16301 1 17 . 1 1 54 54 ILE N N 54 126.032 126.032 124.623 1.409 19945 16302 1 17 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.102 1.104 19945 16303 1 17 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.846 -0.840 19945 16304 1 17 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.955 1.035 19945 16305 1 17 . 1 1 54 54 ILE H H 54 9.136 9.136 8.583 0.553 19945 16306 1 17 . 1 1 55 55 PRO HA H 55 5.317 5.317 5.024 0.293 19945 16307 1 17 . 1 1 55 55 PRO C C 55 174.771 174.771 176.528 -1.757 19945 16308 1 17 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.735 0.013 19945 16309 1 17 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.073 -0.059 19945 16310 1 17 . 1 1 56 56 THR N N 56 113.710 113.710 116.960 -3.250 19945 16311 1 17 . 1 1 56 56 THR HA H 56 4.582 4.582 4.854 -0.272 19945 16312 1 17 . 1 1 56 56 THR C C 56 171.719 171.719 174.007 -2.288 19945 16313 1 17 . 1 1 56 56 THR CA C 56 62.383 62.383 62.459 -0.076 19945 16314 1 17 . 1 1 56 56 THR CB C 56 69.692 69.692 70.290 -0.598 19945 16315 1 17 . 1 1 56 56 THR H H 56 6.599 6.599 7.625 -1.026 19945 16316 1 17 . 1 1 57 57 TRP N N 57 130.050 130.050 124.973 5.077 19945 16317 1 17 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.538 -1.912 19945 16318 1 17 . 1 1 57 57 TRP C C 57 172.611 172.611 175.379 -2.768 19945 16319 1 17 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.266 -0.991 19945 16320 1 17 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.228 2.526 19945 16321 1 17 . 1 1 57 57 TRP H H 57 8.865 8.865 8.939 -0.074 19945 16322 1 17 . 1 1 58 58 TYR N N 58 112.793 112.793 116.354 -3.561 19945 16323 1 17 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.899 0.317 19945 16324 1 17 . 1 1 58 58 TYR C C 58 173.619 173.619 174.910 -1.291 19945 16325 1 17 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.676 -1.476 19945 16326 1 17 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.914 -0.714 19945 16327 1 17 . 1 1 58 58 TYR H H 58 5.730 5.730 8.324 -2.594 19945 16328 1 17 . 1 1 59 59 TYR N N 59 112.220 112.220 119.683 -7.463 19945 16329 1 17 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.130 -0.735 19945 16330 1 17 . 1 1 59 59 TYR C C 59 175.865 175.865 174.950 0.915 19945 16331 1 17 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.286 2.174 19945 16332 1 17 . 1 1 59 59 TYR CB C 59 33.610 33.610 38.712 -5.102 19945 16333 1 17 . 1 1 59 59 TYR H H 59 7.661 7.661 8.004 -0.343 19945 16334 1 17 . 1 1 60 60 GLY N N 60 104.550 104.550 110.698 -6.148 19945 16335 1 17 . 1 1 60 60 GLY C C 60 174.483 174.483 174.582 -0.099 19945 16336 1 17 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.724 0.454 19945 16337 1 17 . 1 1 60 60 GLY H H 60 8.142 8.142 8.336 -0.194 19945 16338 1 17 . 1 1 61 61 GLU N N 61 120.991 120.991 120.265 0.726 19945 16339 1 17 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.742 -0.304 19945 16340 1 17 . 1 1 61 61 GLU C C 61 175.548 175.548 175.535 0.013 19945 16341 1 17 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.565 0.911 19945 16342 1 17 . 1 1 61 61 GLU CB C 61 30.500 30.500 32.189 -1.689 19945 16343 1 17 . 1 1 61 61 GLU H H 61 8.307 8.307 8.143 0.164 19945 16344 1 17 . 1 1 62 62 ALA N N 62 122.750 122.750 124.372 -1.622 19945 16345 1 17 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.491 -0.285 19945 16346 1 17 . 1 1 62 62 ALA C C 62 176.671 176.671 177.187 -0.516 19945 16347 1 17 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.792 0.018 19945 16348 1 17 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.084 1.123 19945 16349 1 17 . 1 1 62 62 ALA H H 62 8.722 8.722 8.614 0.108 19945 16350 1 17 . 1 1 63 63 GLN N N 63 120.579 120.579 119.198 1.381 19945 16351 1 17 . 1 1 63 63 GLN HA H 63 3.886 3.886 3.942 -0.056 19945 16352 1 17 . 1 1 63 63 GLN C C 63 176.757 176.757 177.337 -0.580 19945 16353 1 17 . 1 1 63 63 GLN CA C 63 57.609 57.609 56.166 1.443 19945 16354 1 17 . 1 1 63 63 GLN H H 63 6.302 6.302 8.579 -2.277 19945 16355 1 17 . 1 1 64 64 CYS N N 64 125.487 125.487 123.821 1.666 19945 16356 1 17 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.026 0.085 19945 16357 1 17 . 1 1 64 64 CYS C C 64 174.972 174.972 176.515 -1.543 19945 16358 1 17 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.187 -0.698 19945 16359 1 17 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.748 -0.166 19945 16360 1 17 . 1 1 64 64 CYS H H 64 9.091 9.091 8.829 0.262 19945 16361 1 17 . 1 1 65 65 ASP N N 65 120.298 120.298 118.861 1.437 19945 16362 1 17 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.392 0.007 19945 16363 1 17 . 1 1 65 65 ASP C C 65 179.000 179.000 178.210 0.790 19945 16364 1 17 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.874 0.258 19945 16365 1 17 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.507 0.716 19945 16366 1 17 . 1 1 65 65 ASP H H 65 7.093 7.093 8.432 -1.339 19945 16367 1 17 . 1 1 66 66 TRP N N 66 122.608 122.608 120.769 1.839 19945 16368 1 17 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.143 0.073 19945 16369 1 17 . 1 1 66 66 TRP C C 66 176.930 176.930 177.514 -0.584 19945 16370 1 17 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.937 1.586 19945 16371 1 17 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.593 0.367 19945 16372 1 17 . 1 1 66 66 TRP H H 66 7.394 7.394 7.840 -0.446 19945 16373 1 17 . 1 1 67 67 ASP N N 67 118.860 118.860 118.720 0.140 19945 16374 1 17 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.700 -0.175 19945 16375 1 17 . 1 1 67 67 ASP C C 67 179.579 179.579 177.686 1.893 19945 16376 1 17 . 1 1 67 67 ASP CA C 67 57.341 57.341 56.826 0.515 19945 16377 1 17 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.645 1.755 19945 16378 1 17 . 1 1 67 67 ASP H H 67 8.087 8.087 7.943 0.144 19945 16379 1 17 . 1 1 68 68 ASP N N 68 116.220 116.220 118.226 -2.006 19945 16380 1 17 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.455 -0.099 19945 16381 1 17 . 1 1 68 68 ASP C C 68 176.873 176.873 176.966 -0.093 19945 16382 1 17 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.132 0.123 19945 16383 1 17 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.051 -0.244 19945 16384 1 17 . 1 1 68 68 ASP H H 68 8.056 8.056 8.165 -0.109 19945 16385 1 17 . 1 1 69 69 PHE N N 69 120.493 120.493 117.559 2.934 19945 16386 1 17 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.373 -0.010 19945 16387 1 17 . 1 1 69 69 PHE C C 69 177.103 177.103 176.093 1.010 19945 16388 1 17 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.138 -0.209 19945 16389 1 17 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.158 1.372 19945 16390 1 17 . 1 1 69 69 PHE H H 69 7.659 7.659 7.359 0.300 19945 16391 1 17 . 1 1 70 70 PHE N N 70 122.293 122.293 120.138 2.155 19945 16392 1 17 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.279 0.739 19945 16393 1 17 . 1 1 70 70 PHE C C 70 174.396 174.396 174.625 -0.229 19945 16394 1 17 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.458 -2.334 19945 16395 1 17 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.425 -0.670 19945 16396 1 17 . 1 1 70 70 PHE H H 70 8.197 8.197 8.193 0.004 19945 16397 1 17 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.493 -0.095 19945 16398 1 17 . 1 1 71 71 PRO C C 71 179.118 179.118 177.451 1.667 19945 16399 1 17 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.929 1.438 19945 16400 1 17 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.171 -0.241 19945 16401 1 17 . 1 1 72 72 THR N N 72 114.461 114.461 113.110 1.351 19945 16402 1 17 . 1 1 72 72 THR HA H 72 3.816 3.816 4.084 -0.268 19945 16403 1 17 . 1 1 72 72 THR C C 72 176.498 176.498 176.135 0.363 19945 16404 1 17 . 1 1 72 72 THR CA C 72 65.803 65.803 64.187 1.616 19945 16405 1 17 . 1 1 72 72 THR CB C 72 67.203 67.203 68.632 -1.429 19945 16406 1 17 . 1 1 72 72 THR H H 72 7.534 7.534 7.549 -0.015 19945 16407 1 17 . 1 1 73 73 LEU N N 73 124.812 124.812 123.515 1.297 19945 16408 1 17 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.115 -0.025 19945 16409 1 17 . 1 1 73 73 LEU C C 73 177.996 177.996 178.156 -0.160 19945 16410 1 17 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.037 0.114 19945 16411 1 17 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.293 1.493 19945 16412 1 17 . 1 1 73 73 LEU H H 73 8.123 8.123 8.062 0.061 19945 16413 1 17 . 1 1 74 74 GLU N N 74 111.877 111.877 116.735 -4.858 19945 16414 1 17 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.158 -0.333 19945 16415 1 17 . 1 1 74 74 GLU C C 74 176.930 176.930 177.910 -0.980 19945 16416 1 17 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.600 -0.925 19945 16417 1 17 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.953 1.068 19945 16418 1 17 . 1 1 74 74 GLU H H 74 7.933 7.933 8.400 -0.467 19945 16419 1 17 . 1 1 75 75 GLU N N 75 116.571 116.571 118.261 -1.690 19945 16420 1 17 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.339 0.008 19945 16421 1 17 . 1 1 75 75 GLU C C 75 177.045 177.045 176.059 0.986 19945 16422 1 17 . 1 1 75 75 GLU CA C 75 56.026 56.026 55.633 0.393 19945 16423 1 17 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.519 -0.010 19945 16424 1 17 . 1 1 75 75 GLU H H 75 7.659 7.659 7.964 -0.305 19945 16425 1 17 . 1 1 76 76 ILE N N 76 123.080 123.080 120.302 2.778 19945 16426 1 17 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.954 -0.177 19945 16427 1 17 . 1 1 76 76 ILE C C 76 174.656 174.656 175.032 -0.376 19945 16428 1 17 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.695 0.379 19945 16429 1 17 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.693 0.312 19945 16430 1 17 . 1 1 76 76 ILE H H 76 7.468 7.468 7.225 0.243 19945 16431 1 17 . 1 1 77 77 ASP N N 77 126.540 126.540 125.345 1.195 19945 16432 1 17 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.409 0.404 19945 16433 1 17 . 1 1 77 77 ASP C C 77 176.614 176.614 174.922 1.692 19945 16434 1 17 . 1 1 77 77 ASP CA C 77 53.141 53.141 54.027 -0.886 19945 16435 1 17 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.361 -0.495 19945 16436 1 17 . 1 1 77 77 ASP H H 77 8.605 8.605 8.506 0.099 19945 16437 1 17 . 1 1 78 78 PHE N N 78 124.583 124.583 123.593 0.990 19945 16438 1 17 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.676 -0.516 19945 16439 1 17 . 1 1 78 78 PHE C C 78 175.347 175.347 175.431 -0.084 19945 16440 1 17 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.382 2.760 19945 16441 1 17 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.673 0.495 19945 16442 1 17 . 1 1 78 78 PHE H H 78 8.053 8.053 7.690 0.363 19945 16443 1 17 . 1 1 79 79 ASN N N 79 121.321 121.321 120.696 0.625 19945 16444 1 17 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.562 -0.045 19945 16445 1 17 . 1 1 79 79 ASN C C 79 176.815 176.815 176.518 0.297 19945 16446 1 17 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.101 1.351 19945 16447 1 17 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.033 0.706 19945 16448 1 17 . 1 1 79 79 ASN H H 79 8.695 8.695 8.496 0.199 19945 16449 1 17 . 1 1 80 80 GLY N N 80 114.150 114.150 112.836 1.314 19945 16450 1 17 . 1 1 80 80 GLY C C 80 174.195 174.195 174.680 -0.485 19945 16451 1 17 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.422 0.224 19945 16452 1 17 . 1 1 80 80 GLY H H 80 8.646 8.646 8.749 -0.103 19945 16453 1 17 . 1 1 81 81 LYS N N 81 119.318 119.318 121.410 -2.092 19945 16454 1 17 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.322 0.715 19945 16455 1 17 . 1 1 81 81 LYS C C 81 176.268 176.268 175.919 0.349 19945 16456 1 17 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.639 -0.643 19945 16457 1 17 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.862 0.093 19945 16458 1 17 . 1 1 81 81 LYS H H 81 8.295 8.295 7.875 0.420 19945 16459 1 17 . 1 1 82 82 LEU N N 82 127.000 127.000 122.408 4.592 19945 16460 1 17 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.017 0.213 19945 16461 1 17 . 1 1 82 82 LEU C C 82 175.347 175.347 176.094 -0.747 19945 16462 1 17 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.351 -0.547 19945 16463 1 17 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.268 0.883 19945 16464 1 17 . 1 1 82 82 LEU H H 82 8.407 8.407 8.774 -0.367 19945 16465 1 17 . 1 1 83 83 VAL N N 83 121.665 121.665 121.528 0.137 19945 16466 1 17 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.344 0.496 19945 16467 1 17 . 1 1 83 83 VAL C C 83 173.417 173.417 174.099 -0.682 19945 16468 1 17 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.174 -0.972 19945 16469 1 17 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.897 0.451 19945 16470 1 17 . 1 1 83 83 VAL H H 83 8.960 8.960 9.071 -0.111 19945 16471 1 17 . 1 1 84 84 ALA N N 84 128.017 128.017 127.284 0.733 19945 16472 1 17 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.545 -0.212 19945 16473 1 17 . 1 1 84 84 ALA C C 84 175.231 175.231 175.665 -0.434 19945 16474 1 17 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.143 0.285 19945 16475 1 17 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.118 1.010 19945 16476 1 17 . 1 1 84 84 ALA H H 84 9.021 9.021 9.053 -0.032 19945 16477 1 17 . 1 1 85 85 LEU N N 85 124.220 124.220 121.899 2.321 19945 16478 1 17 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.605 0.007 19945 16479 1 17 . 1 1 85 85 LEU C C 85 174.454 174.454 176.033 -1.579 19945 16480 1 17 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.152 -0.179 19945 16481 1 17 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.526 1.387 19945 16482 1 17 . 1 1 85 85 LEU H H 85 11.134 11.134 9.011 2.123 19945 16483 1 17 . 1 1 86 86 PHE N N 86 114.461 114.461 117.323 -2.862 19945 16484 1 17 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.326 -0.104 19945 16485 1 17 . 1 1 86 86 PHE C C 86 173.619 173.619 173.926 -0.307 19945 16486 1 17 . 1 1 86 86 PHE CA C 86 54.678 54.678 54.948 -0.270 19945 16487 1 17 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.022 0.958 19945 16488 1 17 . 1 1 86 86 PHE H H 86 8.829 8.829 8.666 0.163 19945 16489 1 17 . 1 1 87 87 GLY N N 87 104.437 104.437 106.561 -2.124 19945 16490 1 17 . 1 1 87 87 GLY C C 87 170.423 170.423 172.136 -1.713 19945 16491 1 17 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.244 0.686 19945 16492 1 17 . 1 1 87 87 GLY H H 87 8.496 8.496 8.620 -0.124 19945 16493 1 17 . 1 1 88 88 CYS N N 88 114.166 114.166 119.774 -5.608 19945 16494 1 17 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.511 0.492 19945 16495 1 17 . 1 1 88 88 CYS C C 88 174.425 174.425 174.873 -0.448 19945 16496 1 17 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.985 -1.447 19945 16497 1 17 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.181 1.120 19945 16498 1 17 . 1 1 88 88 CYS H H 88 5.354 5.354 8.667 -3.313 19945 16499 1 17 . 1 1 89 89 GLY N N 89 109.463 109.463 110.125 -0.662 19945 16500 1 17 . 1 1 89 89 GLY C C 89 173.187 173.187 171.534 1.653 19945 16501 1 17 . 1 1 89 89 GLY CA C 89 46.443 46.443 43.873 2.570 19945 16502 1 17 . 1 1 89 89 GLY H H 89 8.404 8.404 8.662 -0.258 19945 16503 1 17 . 1 1 90 90 ASP N N 90 123.090 123.090 118.079 5.011 19945 16504 1 17 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.086 0.713 19945 16505 1 17 . 1 1 90 90 ASP C C 90 176.095 176.095 175.790 0.305 19945 16506 1 17 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.261 -0.708 19945 16507 1 17 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.456 -0.201 19945 16508 1 17 . 1 1 90 90 ASP H H 90 8.698 8.698 8.465 0.233 19945 16509 1 17 . 1 1 91 91 GLN N N 91 123.780 123.780 122.765 1.015 19945 16510 1 17 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.216 -0.520 19945 16511 1 17 . 1 1 91 91 GLN C C 91 173.639 173.639 176.363 -2.724 19945 16512 1 17 . 1 1 91 91 GLN CA C 91 57.060 57.060 56.048 1.012 19945 16513 1 17 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.438 0.003 19945 16514 1 17 . 1 1 91 91 GLN H H 91 9.675 9.675 8.412 1.264 19945 16515 1 17 . 1 1 92 92 GLU N N 92 118.631 118.631 120.234 -1.603 19945 16516 1 17 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.005 0.586 19945 16517 1 17 . 1 1 92 92 GLU C C 92 177.247 177.247 177.117 0.130 19945 16518 1 17 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.933 -1.597 19945 16519 1 17 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.877 0.893 19945 16520 1 17 . 1 1 92 92 GLU H H 92 8.396 8.396 8.217 0.179 19945 16521 1 17 . 1 1 93 93 ASP N N 93 120.889 120.889 117.949 2.940 19945 16522 1 17 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.556 -0.274 19945 16523 1 17 . 1 1 93 93 ASP C C 93 175.986 175.986 177.860 -1.874 19945 16524 1 17 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.897 0.528 19945 16525 1 17 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.027 -1.777 19945 16526 1 17 . 1 1 93 93 ASP H H 93 7.779 7.779 8.380 -0.601 19945 16527 1 17 . 1 1 94 94 TYR N N 94 117.028 117.028 121.414 -4.386 19945 16528 1 17 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.800 -0.115 19945 16529 1 17 . 1 1 94 94 TYR C C 94 175.519 175.519 176.081 -0.562 19945 16530 1 17 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.894 -0.515 19945 16531 1 17 . 1 1 94 94 TYR CB C 94 36.842 36.842 36.260 0.583 19945 16532 1 17 . 1 1 94 94 TYR H H 94 6.693 6.693 8.478 -1.785 19945 16533 1 17 . 1 1 95 95 ALA N N 95 121.950 121.950 122.993 -1.043 19945 16534 1 17 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.223 -0.067 19945 16535 1 17 . 1 1 95 95 ALA C C 95 179.723 179.723 178.451 1.272 19945 16536 1 17 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.967 0.957 19945 16537 1 17 . 1 1 95 95 ALA CB C 95 20.555 20.555 19.052 1.503 19945 16538 1 17 . 1 1 95 95 ALA H H 95 6.962 6.962 7.738 -0.776 19945 16539 1 17 . 1 1 96 96 GLU N N 96 115.884 115.884 116.111 -0.227 19945 16540 1 17 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.502 -0.196 19945 16541 1 17 . 1 1 96 96 GLU C C 96 174.684 174.684 176.651 -1.967 19945 16542 1 17 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.020 -0.035 19945 16543 1 17 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.725 -0.549 19945 16544 1 17 . 1 1 96 96 GLU H H 96 9.327 9.327 8.746 0.581 19945 16545 1 17 . 1 1 97 97 TYR N N 97 121.836 121.836 116.878 4.958 19945 16546 1 17 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.800 0.609 19945 16547 1 17 . 1 1 97 97 TYR C C 97 179.953 179.953 174.861 5.092 19945 16548 1 17 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.629 -0.187 19945 16549 1 17 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.162 2.130 19945 16550 1 17 . 1 1 97 97 TYR H H 97 8.175 8.175 8.151 0.024 19945 16551 1 17 . 1 1 98 98 PHE N N 98 124.580 124.580 123.915 0.665 19945 16552 1 17 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.623 0.514 19945 16553 1 17 . 1 1 98 98 PHE C C 98 174.742 174.742 175.900 -1.158 19945 16554 1 17 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.549 -0.886 19945 16555 1 17 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.670 -1.015 19945 16556 1 17 . 1 1 98 98 PHE H H 98 7.889 7.889 7.866 0.023 19945 16557 1 17 . 1 1 99 99 CYS N N 99 120.329 120.329 123.300 -2.971 19945 16558 1 17 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.669 -0.017 19945 16559 1 17 . 1 1 99 99 CYS C C 99 175.087 175.087 175.018 0.069 19945 16560 1 17 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.277 2.599 19945 16561 1 17 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.413 -1.413 19945 16562 1 17 . 1 1 99 99 CYS H H 99 8.617 8.617 8.575 0.042 19945 16563 1 17 . 1 1 100 100 ASP N N 100 116.705 116.705 120.940 -4.235 19945 16564 1 17 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.354 -0.409 19945 16565 1 17 . 1 1 100 100 ASP C C 100 178.888 178.888 177.322 1.566 19945 16566 1 17 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.019 1.109 19945 16567 1 17 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.069 0.881 19945 16568 1 17 . 1 1 100 100 ASP H H 100 7.104 7.104 7.725 -0.621 19945 16569 1 17 . 1 1 101 101 ALA N N 101 118.631 118.631 122.048 -3.417 19945 16570 1 17 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.200 -0.049 19945 16571 1 17 . 1 1 101 101 ALA C C 101 178.600 178.600 179.212 -0.612 19945 16572 1 17 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.847 -0.450 19945 16573 1 17 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.595 0.215 19945 16574 1 17 . 1 1 101 101 ALA H H 101 8.716 8.716 7.611 1.105 19945 16575 1 17 . 1 1 102 102 LEU N N 102 115.083 115.083 119.887 -4.804 19945 16576 1 17 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.989 -0.375 19945 16577 1 17 . 1 1 102 102 LEU C C 102 179.573 179.573 179.147 0.426 19945 16578 1 17 . 1 1 102 102 LEU CA C 102 57.844 57.844 58.175 -0.331 19945 16579 1 17 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.455 1.259 19945 16580 1 17 . 1 1 102 102 LEU H H 102 7.171 7.171 7.579 -0.408 19945 16581 1 17 . 1 1 103 103 GLY N N 103 104.501 104.501 105.955 -1.454 19945 16582 1 17 . 1 1 103 103 GLY C C 103 175.145 175.145 175.745 -0.600 19945 16583 1 17 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.621 -0.913 19945 16584 1 17 . 1 1 103 103 GLY H H 103 7.365 7.365 7.856 -0.491 19945 16585 1 17 . 1 1 104 104 THR N N 104 118.860 118.860 119.106 -0.246 19945 16586 1 17 . 1 1 104 104 THR HA H 104 3.737 3.737 3.934 -0.197 19945 16587 1 17 . 1 1 104 104 THR C C 104 176.354 176.354 176.335 0.019 19945 16588 1 17 . 1 1 104 104 THR CA C 104 65.799 65.799 67.188 -1.389 19945 16589 1 17 . 1 1 104 104 THR CB C 104 67.961 67.961 68.532 -0.571 19945 16590 1 17 . 1 1 104 104 THR H H 104 7.343 7.343 7.917 -0.574 19945 16591 1 17 . 1 1 105 105 ILE N N 105 118.663 118.663 121.365 -2.702 19945 16592 1 17 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.413 0.091 19945 16593 1 17 . 1 1 105 105 ILE C C 105 177.391 177.391 177.251 0.140 19945 16594 1 17 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.700 0.850 19945 16595 1 17 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.454 0.296 19945 16596 1 17 . 1 1 105 105 ILE H H 105 7.589 7.589 8.020 -0.431 19945 16597 1 17 . 1 1 106 106 ARG N N 106 126.041 126.041 120.623 5.418 19945 16598 1 17 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.804 -0.224 19945 16599 1 17 . 1 1 106 106 ARG C C 106 176.614 176.614 178.051 -1.437 19945 16600 1 17 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.204 0.063 19945 16601 1 17 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.979 -2.663 19945 16602 1 17 . 1 1 106 106 ARG H H 106 7.307 7.307 8.437 -1.130 19945 16603 1 17 . 1 1 107 107 ASP N N 107 117.480 117.480 117.599 -0.119 19945 16604 1 17 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.421 -0.073 19945 16605 1 17 . 1 1 107 107 ASP C C 107 177.189 177.189 177.301 -0.112 19945 16606 1 17 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.837 -0.336 19945 16607 1 17 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.711 -1.037 19945 16608 1 17 . 1 1 107 107 ASP H H 107 8.202 8.202 7.996 0.206 19945 16609 1 17 . 1 1 108 108 ILE N N 108 117.715 117.715 117.526 0.189 19945 16610 1 17 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.997 -0.141 19945 16611 1 17 . 1 1 108 108 ILE C C 108 178.427 178.427 177.756 0.671 19945 16612 1 17 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.667 0.310 19945 16613 1 17 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.145 0.306 19945 16614 1 17 . 1 1 108 108 ILE H H 108 7.107 7.107 7.435 -0.328 19945 16615 1 17 . 1 1 109 109 ILE N N 109 111.534 111.534 118.214 -6.680 19945 16616 1 17 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.742 -0.007 19945 16617 1 17 . 1 1 109 109 ILE C C 109 177.305 177.305 177.386 -0.081 19945 16618 1 17 . 1 1 109 109 ILE CA C 109 64.605 64.605 65.000 -0.395 19945 16619 1 17 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.518 -0.107 19945 16620 1 17 . 1 1 109 109 ILE H H 109 7.501 7.501 8.290 -0.789 19945 16621 1 17 . 1 1 110 110 GLU N N 110 127.123 127.123 122.457 4.666 19945 16622 1 17 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.252 0.046 19945 16623 1 17 . 1 1 110 110 GLU C C 110 177.391 177.391 177.200 0.191 19945 16624 1 17 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.392 1.939 19945 16625 1 17 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.502 -0.654 19945 16626 1 17 . 1 1 110 110 GLU H H 110 8.867 8.867 8.451 0.416 19945 16627 1 17 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.387 0.229 19945 16628 1 17 . 1 1 111 111 PRO C C 111 177.417 177.417 178.100 -0.683 19945 16629 1 17 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.721 0.515 19945 16630 1 17 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.442 -0.407 19945 16631 1 17 . 1 1 112 112 ARG N N 112 114.612 114.612 117.906 -3.294 19945 16632 1 17 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.354 0.214 19945 16633 1 17 . 1 1 112 112 ARG C C 112 175.792 175.792 176.434 -0.642 19945 16634 1 17 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.686 0.055 19945 16635 1 17 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.645 0.859 19945 16636 1 17 . 1 1 112 112 ARG H H 112 6.542 6.542 7.594 -1.052 19945 16637 1 17 . 1 1 113 113 GLY N N 113 106.474 106.474 105.505 0.969 19945 16638 1 17 . 1 1 113 113 GLY C C 113 174.347 174.347 174.179 0.168 19945 16639 1 17 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.107 0.533 19945 16640 1 17 . 1 1 113 113 GLY H H 113 7.845 7.845 7.953 -0.108 19945 16641 1 17 . 1 1 114 114 ALA N N 114 122.280 122.280 123.907 -1.627 19945 16642 1 17 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.841 -0.562 19945 16643 1 17 . 1 1 114 114 ALA C C 114 176.785 176.785 177.161 -0.376 19945 16644 1 17 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.343 1.048 19945 16645 1 17 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.610 0.002 19945 16646 1 17 . 1 1 114 114 ALA H H 114 7.535 7.535 7.952 -0.417 19945 16647 1 17 . 1 1 115 115 THR N N 115 120.909 120.909 120.279 0.630 19945 16648 1 17 . 1 1 115 115 THR HA H 115 4.478 4.478 4.612 -0.134 19945 16649 1 17 . 1 1 115 115 THR C C 115 172.963 172.963 173.570 -0.607 19945 16650 1 17 . 1 1 115 115 THR CA C 115 62.825 62.825 62.843 -0.018 19945 16651 1 17 . 1 1 115 115 THR CB C 115 69.501 69.501 69.269 0.232 19945 16652 1 17 . 1 1 115 115 THR H H 115 7.902 7.902 8.822 -0.920 19945 16653 1 17 . 1 1 116 116 ILE N N 116 129.162 129.162 128.749 0.413 19945 16654 1 17 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.047 0.250 19945 16655 1 17 . 1 1 116 116 ILE C C 116 177.056 177.056 176.228 0.828 19945 16656 1 17 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.655 -0.132 19945 16657 1 17 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.294 -0.994 19945 16658 1 17 . 1 1 116 116 ILE H H 116 8.784 8.784 8.544 0.240 19945 16659 1 17 . 1 1 117 117 VAL N N 117 122.981 122.981 121.616 1.365 19945 16660 1 17 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.669 -0.075 19945 16661 1 17 . 1 1 117 117 VAL C C 117 175.190 175.190 175.651 -0.461 19945 16662 1 17 . 1 1 117 117 VAL CA C 117 58.929 58.929 60.019 -1.090 19945 16663 1 17 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.531 -2.167 19945 16664 1 17 . 1 1 117 117 VAL H H 117 8.812 8.812 8.766 0.046 19945 16665 1 17 . 1 1 118 118 GLY N N 118 108.558 108.558 108.129 0.429 19945 16666 1 17 . 1 1 118 118 GLY C C 118 175.792 175.792 174.260 1.532 19945 16667 1 17 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.669 2.077 19945 16668 1 17 . 1 1 118 118 GLY H H 118 9.297 9.297 8.876 0.421 19945 16669 1 17 . 1 1 119 119 HIS N N 119 118.402 118.402 116.965 1.437 19945 16670 1 17 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.855 -0.083 19945 16671 1 17 . 1 1 119 119 HIS C C 119 175.866 175.866 174.334 1.532 19945 16672 1 17 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.437 0.165 19945 16673 1 17 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.855 -0.999 19945 16674 1 17 . 1 1 119 119 HIS H H 119 8.901 8.901 8.074 0.827 19945 16675 1 17 . 1 1 120 120 TRP N N 120 124.300 124.300 124.738 -0.438 19945 16676 1 17 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.323 0.970 19945 16677 1 17 . 1 1 120 120 TRP C C 120 173.113 173.113 174.204 -1.091 19945 16678 1 17 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.889 -0.385 19945 16679 1 17 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.896 2.390 19945 16680 1 17 . 1 1 120 120 TRP H H 120 8.455 8.455 8.804 -0.349 19945 16681 1 17 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.588 0.009 19945 16682 1 17 . 1 1 121 121 PRO C C 121 176.243 176.243 177.043 -0.800 19945 16683 1 17 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.562 0.888 19945 16684 1 17 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.624 -0.527 19945 16685 1 17 . 1 1 122 122 THR N N 122 110.568 110.568 111.830 -1.262 19945 16686 1 17 . 1 1 122 122 THR HA H 122 4.232 4.232 3.965 0.267 19945 16687 1 17 . 1 1 122 122 THR C C 122 176.424 176.424 175.707 0.717 19945 16688 1 17 . 1 1 122 122 THR CA C 122 62.079 62.079 63.049 -0.970 19945 16689 1 17 . 1 1 122 122 THR CB C 122 68.758 68.758 69.118 -0.360 19945 16690 1 17 . 1 1 122 122 THR H H 122 7.560 7.560 8.161 -0.601 19945 16691 1 17 . 1 1 123 123 ALA N N 123 126.038 126.038 123.407 2.631 19945 16692 1 17 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.866 0.403 19945 16693 1 17 . 1 1 123 123 ALA C C 123 178.862 178.862 177.474 1.388 19945 16694 1 17 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.596 1.286 19945 16695 1 17 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.067 1.217 19945 16696 1 17 . 1 1 123 123 ALA H H 123 7.144 7.144 7.768 -0.624 19945 16697 1 17 . 1 1 124 124 GLY N N 124 111.468 111.468 106.009 5.459 19945 16698 1 17 . 1 1 124 124 GLY C C 124 173.775 173.775 173.871 -0.096 19945 16699 1 17 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.824 0.557 19945 16700 1 17 . 1 1 124 124 GLY H H 124 9.058 9.058 7.564 1.494 19945 16701 1 17 . 1 1 125 125 TYR N N 125 119.088 119.088 122.301 -3.213 19945 16702 1 17 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.251 0.691 19945 16703 1 17 . 1 1 125 125 TYR C C 125 175.581 175.581 176.133 -0.552 19945 16704 1 17 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.736 -2.974 19945 16705 1 17 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.025 1.525 19945 16706 1 17 . 1 1 125 125 TYR H H 125 8.008 8.008 8.337 -0.329 19945 16707 1 17 . 1 1 126 126 HIS N N 126 121.799 121.799 127.057 -5.258 19945 16708 1 17 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.297 0.716 19945 16709 1 17 . 1 1 126 126 HIS C C 126 171.969 171.969 174.068 -2.099 19945 16710 1 17 . 1 1 126 126 HIS CA C 126 54.147 54.147 56.168 -2.021 19945 16711 1 17 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.517 -2.130 19945 16712 1 17 . 1 1 126 126 HIS H H 126 9.512 9.512 8.668 0.844 19945 16713 1 17 . 1 1 127 127 PHE N N 127 117.258 117.258 116.763 0.495 19945 16714 1 17 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.323 0.600 19945 16715 1 17 . 1 1 127 127 PHE C C 127 172.722 172.722 176.417 -3.695 19945 16716 1 17 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.978 -1.679 19945 16717 1 17 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.372 -0.618 19945 16718 1 17 . 1 1 127 127 PHE H H 127 7.397 7.397 7.144 0.253 19945 16719 1 17 . 1 1 128 128 GLU N N 128 120.484 120.484 119.829 0.655 19945 16720 1 17 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.203 0.160 19945 16721 1 17 . 1 1 128 128 GLU C C 128 176.033 176.033 176.402 -0.369 19945 16722 1 17 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.334 -1.266 19945 16723 1 17 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.285 1.547 19945 16724 1 17 . 1 1 128 128 GLU H H 128 8.492 8.492 8.713 -0.221 19945 16725 1 17 . 1 1 129 129 ALA N N 129 123.500 123.500 120.732 2.768 19945 16726 1 17 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.744 -0.046 19945 16727 1 17 . 1 1 129 129 ALA C C 129 174.016 174.016 175.435 -1.419 19945 16728 1 17 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.912 0.542 19945 16729 1 17 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.305 0.698 19945 16730 1 17 . 1 1 129 129 ALA H H 129 9.155 9.155 8.450 0.705 19945 16731 1 17 . 1 1 130 130 SER N N 130 110.807 110.807 116.375 -5.568 19945 16732 1 17 . 1 1 130 130 SER HA H 130 4.942 4.942 4.910 0.032 19945 16733 1 17 . 1 1 130 130 SER C C 130 176.665 176.665 174.082 2.583 19945 16734 1 17 . 1 1 130 130 SER CA C 130 57.471 57.471 57.273 0.199 19945 16735 1 17 . 1 1 130 130 SER CB C 130 67.205 67.205 65.138 2.067 19945 16736 1 17 . 1 1 130 130 SER H H 130 8.101 8.101 8.215 -0.114 19945 16737 1 17 . 1 1 131 131 LYS N N 131 129.963 129.963 122.132 7.831 19945 16738 1 17 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.605 -0.156 19945 16739 1 17 . 1 1 131 131 LYS C C 131 176.533 176.533 177.606 -1.073 19945 16740 1 17 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.803 1.097 19945 16741 1 17 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.324 -0.695 19945 16742 1 17 . 1 1 131 131 LYS H H 131 9.690 9.690 8.661 1.029 19945 16743 1 17 . 1 1 132 132 GLY N N 132 107.870 107.870 108.129 -0.259 19945 16744 1 17 . 1 1 132 132 GLY C C 132 173.354 173.354 173.590 -0.236 19945 16745 1 17 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.298 0.348 19945 16746 1 17 . 1 1 132 132 GLY H H 132 9.187 9.187 7.729 1.458 19945 16747 1 17 . 1 1 133 133 LEU N N 133 119.088 119.088 120.104 -1.016 19945 16748 1 17 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.232 0.411 19945 16749 1 17 . 1 1 133 133 LEU C C 133 177.748 177.748 176.566 1.182 19945 16750 1 17 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.762 -0.286 19945 16751 1 17 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.160 -1.656 19945 16752 1 17 . 1 1 133 133 LEU H H 133 7.098 7.098 7.541 -0.443 19945 16753 1 17 . 1 1 134 134 ALA N N 134 125.720 125.720 124.816 0.904 19945 16754 1 17 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.495 -0.258 19945 16755 1 17 . 1 1 134 134 ALA C C 134 176.695 176.695 176.887 -0.192 19945 16756 1 17 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.386 -0.098 19945 16757 1 17 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.941 -1.329 19945 16758 1 17 . 1 1 134 134 ALA H H 134 9.154 9.154 9.039 0.115 19945 16759 1 17 . 1 1 135 135 ASP N N 135 114.952 114.952 116.750 -1.798 19945 16760 1 17 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.806 -0.277 19945 16761 1 17 . 1 1 135 135 ASP C C 135 175.130 175.130 175.621 -0.491 19945 16762 1 17 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.210 -0.250 19945 16763 1 17 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.898 -3.370 19945 16764 1 17 . 1 1 135 135 ASP H H 135 8.299 8.299 7.880 0.419 19945 16765 1 17 . 1 1 136 136 ASP N N 136 114.870 114.870 121.458 -6.588 19945 16766 1 17 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.292 0.043 19945 16767 1 17 . 1 1 136 136 ASP C C 136 176.303 176.303 176.793 -0.490 19945 16768 1 17 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.945 0.899 19945 16769 1 17 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.933 -0.069 19945 16770 1 17 . 1 1 136 136 ASP H H 136 8.433 8.433 8.775 -0.342 19945 16771 1 17 . 1 1 137 137 ASP N N 137 113.709 113.709 117.282 -3.573 19945 16772 1 17 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.602 0.229 19945 16773 1 17 . 1 1 137 137 ASP C C 137 176.514 176.514 175.038 1.476 19945 16774 1 17 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.932 -0.615 19945 16775 1 17 . 1 1 137 137 ASP CB C 137 42.458 42.458 41.895 0.563 19945 16776 1 17 . 1 1 137 137 ASP H H 137 8.232 8.232 8.261 -0.029 19945 16777 1 17 . 1 1 138 138 HIS N N 138 117.829 117.829 117.594 0.235 19945 16778 1 17 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.006 0.276 19945 16779 1 17 . 1 1 138 138 HIS C C 138 175.130 175.130 174.257 0.873 19945 16780 1 17 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.125 1.474 19945 16781 1 17 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.075 -1.075 19945 16782 1 17 . 1 1 138 138 HIS H H 138 7.764 7.764 7.567 0.197 19945 16783 1 17 . 1 1 139 139 PHE N N 139 123.553 123.553 121.499 2.054 19945 16784 1 17 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.933 0.086 19945 16785 1 17 . 1 1 139 139 PHE C C 139 177.477 177.477 177.553 -0.076 19945 16786 1 17 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.678 -0.119 19945 16787 1 17 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.631 3.241 19945 16788 1 17 . 1 1 139 139 PHE H H 139 9.955 9.955 9.642 0.313 19945 16789 1 17 . 1 1 140 140 VAL N N 140 119.420 119.420 120.980 -1.560 19945 16790 1 17 . 1 1 140 140 VAL HA H 140 3.678 3.678 3.977 -0.299 19945 16791 1 17 . 1 1 140 140 VAL C C 140 173.023 173.023 175.405 -2.382 19945 16792 1 17 . 1 1 140 140 VAL CA C 140 62.117 62.117 65.168 -3.051 19945 16793 1 17 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.186 0.350 19945 16794 1 17 . 1 1 140 140 VAL H H 140 9.178 9.178 8.914 0.264 19945 16795 1 17 . 1 1 141 141 GLY N N 141 105.680 105.680 104.157 1.523 19945 16796 1 17 . 1 1 141 141 GLY C C 141 171.284 171.284 172.795 -1.511 19945 16797 1 17 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.678 1.043 19945 16798 1 17 . 1 1 141 141 GLY H H 141 6.837 6.837 7.580 -0.743 19945 16799 1 17 . 1 1 142 142 LEU N N 142 118.516 118.516 121.404 -2.888 19945 16800 1 17 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.895 -0.848 19945 16801 1 17 . 1 1 142 142 LEU C C 142 173.725 173.725 174.863 -1.138 19945 16802 1 17 . 1 1 142 142 LEU CA C 142 55.704 55.704 55.239 0.465 19945 16803 1 17 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.318 -2.579 19945 16804 1 17 . 1 1 142 142 LEU H H 142 7.423 7.423 7.907 -0.484 19945 16805 1 17 . 1 1 143 143 ALA N N 143 128.382 128.382 129.785 -1.403 19945 16806 1 17 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.827 -0.353 19945 16807 1 17 . 1 1 143 143 ALA C C 143 175.685 175.685 176.043 -0.358 19945 16808 1 17 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.529 -0.898 19945 16809 1 17 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.885 -0.038 19945 16810 1 17 . 1 1 143 143 ALA H H 143 5.414 5.414 7.935 -2.521 19945 16811 1 17 . 1 1 144 144 ILE N N 144 126.754 126.754 118.970 7.784 19945 16812 1 17 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.792 -0.477 19945 16813 1 17 . 1 1 144 144 ILE C C 144 173.725 173.725 174.162 -0.437 19945 16814 1 17 . 1 1 144 144 ILE CA C 144 56.721 56.721 59.920 -3.199 19945 16815 1 17 . 1 1 144 144 ILE CB C 144 37.630 37.630 40.844 -3.214 19945 16816 1 17 . 1 1 144 144 ILE H H 144 8.849 8.849 8.337 0.512 19945 16817 1 17 . 1 1 145 145 ASP N N 145 125.518 125.518 125.202 0.316 19945 16818 1 17 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.636 1.160 19945 16819 1 17 . 1 1 145 145 ASP C C 145 176.830 176.830 176.295 0.535 19945 16820 1 17 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.970 -2.417 19945 16821 1 17 . 1 1 145 145 ASP CB C 145 43.502 43.502 42.828 0.674 19945 16822 1 17 . 1 1 145 145 ASP H H 145 8.088 8.088 8.811 -0.723 19945 16823 1 17 . 1 1 146 146 GLU N N 146 125.475 125.475 119.611 5.864 19945 16824 1 17 . 1 1 146 146 GLU HA H 146 4.663 4.663 3.980 0.683 19945 16825 1 17 . 1 1 146 146 GLU C C 146 177.132 177.132 174.503 2.629 19945 16826 1 17 . 1 1 146 146 GLU CA C 146 56.273 56.273 58.898 -2.625 19945 16827 1 17 . 1 1 146 146 GLU CB C 146 32.250 32.250 29.132 3.118 19945 16828 1 17 . 1 1 146 146 GLU H H 146 8.390 8.390 8.716 -0.326 19945 16829 1 17 . 1 1 147 147 ASP N N 147 120.137 120.137 119.622 0.515 19945 16830 1 17 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.693 -0.126 19945 16831 1 17 . 1 1 147 147 ASP C C 147 178.126 178.126 175.183 2.943 19945 16832 1 17 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.208 3.793 19945 16833 1 17 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.017 1.233 19945 16834 1 17 . 1 1 147 147 ASP H H 147 8.599 8.599 8.089 0.510 19945 16835 1 17 . 1 1 148 148 ARG N N 148 115.655 115.655 125.876 -10.221 19945 16836 1 17 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.937 0.761 19945 16837 1 17 . 1 1 148 148 ARG C C 148 177.704 177.704 175.029 2.675 19945 16838 1 17 . 1 1 148 148 ARG CA C 148 52.960 52.960 57.060 -4.100 19945 16839 1 17 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.668 2.147 19945 16840 1 17 . 1 1 148 148 ARG H H 148 9.762 9.762 8.809 0.953 19945 16841 1 17 . 1 1 149 149 GLN N N 149 116.313 116.313 114.117 2.196 19945 16842 1 17 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.012 1.287 19945 16843 1 17 . 1 1 149 149 GLN C C 149 175.142 175.142 174.000 1.142 19945 16844 1 17 . 1 1 149 149 GLN CA C 149 53.401 53.401 56.220 -2.819 19945 16845 1 17 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.652 3.189 19945 16846 1 17 . 1 1 149 149 GLN H H 149 7.622 7.622 8.809 -1.187 19945 16847 1 17 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.664 0.017 19945 16848 1 17 . 1 1 150 150 PRO C C 150 179.483 179.483 176.553 2.930 19945 16849 1 17 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.542 2.784 19945 16850 1 17 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.756 -2.104 19945 16851 1 17 . 1 1 151 151 GLU N N 151 122.981 122.981 119.931 3.050 19945 16852 1 17 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.451 -0.050 19945 16853 1 17 . 1 1 151 151 GLU C C 151 177.041 177.041 176.975 0.066 19945 16854 1 17 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.599 1.799 19945 16855 1 17 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.677 -3.095 19945 16856 1 17 . 1 1 151 151 GLU H H 151 10.520 10.520 9.321 1.199 19945 16857 1 17 . 1 1 152 152 LEU N N 152 120.119 120.119 122.268 -2.149 19945 16858 1 17 . 1 1 152 152 LEU HA H 152 4.691 4.691 5.035 -0.344 19945 16859 1 17 . 1 1 152 152 LEU C C 152 177.222 177.222 176.586 0.636 19945 16860 1 17 . 1 1 152 152 LEU CA C 152 54.309 54.309 53.368 0.941 19945 16861 1 17 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.909 0.026 19945 16862 1 17 . 1 1 152 152 LEU H H 152 7.589 7.589 7.686 -0.097 19945 16863 1 17 . 1 1 153 153 THR N N 153 119.637 119.637 117.633 2.004 19945 16864 1 17 . 1 1 153 153 THR HA H 153 3.592 3.592 3.926 -0.334 19945 16865 1 17 . 1 1 153 153 THR C C 153 174.178 174.178 176.091 -1.913 19945 16866 1 17 . 1 1 153 153 THR CA C 153 67.960 67.960 67.617 0.343 19945 16867 1 17 . 1 1 153 153 THR CB C 153 69.023 69.023 68.494 0.529 19945 16868 1 17 . 1 1 153 153 THR H H 153 7.469 7.469 8.288 -0.819 19945 16869 1 17 . 1 1 154 154 ALA N N 154 123.665 123.665 121.892 1.773 19945 16870 1 17 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.179 -0.291 19945 16871 1 17 . 1 1 154 154 ALA C C 154 180.417 180.417 179.731 0.686 19945 16872 1 17 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.683 1.855 19945 16873 1 17 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.154 -0.932 19945 16874 1 17 . 1 1 154 154 ALA H H 154 9.077 9.077 8.478 0.599 19945 16875 1 17 . 1 1 155 155 GLU N N 155 119.661 119.661 119.439 0.222 19945 16876 1 17 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.076 0.176 19945 16877 1 17 . 1 1 155 155 GLU C C 155 178.518 178.518 179.336 -0.818 19945 16878 1 17 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.888 -1.070 19945 16879 1 17 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.008 0.699 19945 16880 1 17 . 1 1 155 155 GLU H H 155 8.647 8.647 8.634 0.013 19945 16881 1 17 . 1 1 156 156 ARG N N 156 120.739 120.739 119.944 0.795 19945 16882 1 17 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.153 0.065 19945 16883 1 17 . 1 1 156 156 ARG C C 156 177.252 177.252 178.798 -1.546 19945 16884 1 17 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.326 1.143 19945 16885 1 17 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.175 0.848 19945 16886 1 17 . 1 1 156 156 ARG H H 156 8.129 8.129 8.068 0.061 19945 16887 1 17 . 1 1 157 157 VAL N N 157 117.372 117.372 120.018 -2.646 19945 16888 1 17 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.563 -0.244 19945 16889 1 17 . 1 1 157 157 VAL C C 157 177.192 177.192 177.865 -0.673 19945 16890 1 17 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.411 0.989 19945 16891 1 17 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.857 0.975 19945 16892 1 17 . 1 1 157 157 VAL H H 157 8.578 8.578 8.211 0.367 19945 16893 1 17 . 1 1 158 158 GLU N N 158 118.631 118.631 120.890 -2.259 19945 16894 1 17 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.225 -0.028 19945 16895 1 17 . 1 1 158 158 GLU C C 158 179.995 179.995 179.477 0.518 19945 16896 1 17 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.738 0.000 19945 16897 1 17 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.506 -0.329 19945 16898 1 17 . 1 1 158 158 GLU H H 158 8.046 8.046 8.248 -0.202 19945 16899 1 17 . 1 1 159 159 LYS N N 159 118.860 118.860 119.116 -0.256 19945 16900 1 17 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.128 0.058 19945 16901 1 17 . 1 1 159 159 LYS C C 159 179.844 179.844 178.988 0.856 19945 16902 1 17 . 1 1 159 159 LYS CA C 159 59.995 59.995 58.843 1.152 19945 16903 1 17 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.129 1.563 19945 16904 1 17 . 1 1 159 159 LYS H H 159 8.522 8.522 8.305 0.217 19945 16905 1 17 . 1 1 160 160 TRP N N 160 125.100 125.100 121.961 3.139 19945 16906 1 17 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.432 -0.062 19945 16907 1 17 . 1 1 160 160 TRP C C 160 178.006 178.006 177.899 0.107 19945 16908 1 17 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.649 1.165 19945 16909 1 17 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.350 -0.558 19945 16910 1 17 . 1 1 160 160 TRP H H 160 9.076 9.076 8.397 0.679 19945 16911 1 17 . 1 1 161 161 VAL N N 161 118.402 118.402 118.962 -0.560 19945 16912 1 17 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.183 0.187 19945 16913 1 17 . 1 1 161 161 VAL C C 161 179.392 179.392 178.410 0.982 19945 16914 1 17 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.868 0.136 19945 16915 1 17 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.045 -0.695 19945 16916 1 17 . 1 1 161 161 VAL H H 161 9.024 9.024 8.743 0.281 19945 16917 1 17 . 1 1 162 162 LYS N N 162 123.209 123.209 119.797 3.412 19945 16918 1 17 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.861 0.141 19945 16919 1 17 . 1 1 162 162 LYS C C 162 178.759 178.759 179.177 -0.418 19945 16920 1 17 . 1 1 162 162 LYS CA C 162 60.372 60.372 60.064 0.308 19945 16921 1 17 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.165 0.199 19945 16922 1 17 . 1 1 162 162 LYS H H 162 7.820 7.820 8.217 -0.397 19945 16923 1 17 . 1 1 163 163 GLN N N 163 121.722 121.722 118.014 3.708 19945 16924 1 17 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.057 0.133 19945 16925 1 17 . 1 1 163 163 GLN C C 163 179.935 179.935 178.877 1.058 19945 16926 1 17 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.432 1.294 19945 16927 1 17 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.719 0.303 19945 16928 1 17 . 1 1 163 163 GLN H H 163 8.126 8.126 7.939 0.187 19945 16929 1 17 . 1 1 164 164 ILE N N 164 114.390 114.390 116.602 -2.212 19945 16930 1 17 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.688 0.302 19945 16931 1 17 . 1 1 164 164 ILE C C 164 178.156 178.156 177.498 0.658 19945 16932 1 17 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.123 1.053 19945 16933 1 17 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.988 0.690 19945 16934 1 17 . 1 1 164 164 ILE H H 164 9.110 9.110 8.164 0.946 19945 16935 1 17 . 1 1 165 165 SER N N 165 119.660 119.660 116.728 2.932 19945 16936 1 17 . 1 1 165 165 SER HA H 165 3.976 3.976 3.998 -0.022 19945 16937 1 17 . 1 1 165 165 SER C C 165 176.438 176.438 176.198 0.240 19945 16938 1 17 . 1 1 165 165 SER CA C 165 63.180 63.180 62.967 0.213 19945 16939 1 17 . 1 1 165 165 SER CB C 165 62.383 62.383 62.973 -0.590 19945 16940 1 17 . 1 1 165 165 SER H H 165 8.278 8.278 8.308 -0.030 19945 16941 1 17 . 1 1 166 166 GLU N N 166 122.290 122.290 117.726 4.564 19945 16942 1 17 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.255 -0.045 19945 16943 1 17 . 1 1 166 166 GLU C C 166 179.965 179.965 176.680 3.285 19945 16944 1 17 . 1 1 166 166 GLU CA C 166 59.195 59.195 57.500 1.695 19945 16945 1 17 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.500 -0.256 19945 16946 1 17 . 1 1 166 166 GLU H H 166 7.345 7.345 7.733 -0.388 19945 16947 1 17 . 1 1 167 167 GLU N N 167 120.787 120.787 118.789 1.998 19945 16948 1 17 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.022 -0.083 19945 16949 1 17 . 1 1 167 167 GLU C C 167 178.518 178.518 177.997 0.521 19945 16950 1 17 . 1 1 167 167 GLU CA C 167 60.000 60.000 57.621 2.379 19945 16951 1 17 . 1 1 167 167 GLU CB C 167 30.800 30.800 30.154 0.646 19945 16952 1 17 . 1 1 167 167 GLU H H 167 8.413 8.413 7.477 0.936 19945 16953 1 17 . 1 1 168 168 LEU N N 168 115.420 115.420 117.282 -1.862 19945 16954 1 17 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.151 -0.014 19945 16955 1 17 . 1 1 168 168 LEU C C 168 175.896 175.896 176.539 -0.643 19945 16956 1 17 . 1 1 168 168 LEU CA C 168 54.780 54.780 55.127 -0.346 19945 16957 1 17 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.337 0.964 19945 16958 1 17 . 1 1 168 168 LEU H H 168 8.553 8.553 8.115 0.438 19945 16959 1 17 . 1 1 169 169 HIS N N 169 113.347 113.347 112.242 1.105 19945 16960 1 17 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.300 0.051 19945 16961 1 17 . 1 1 169 169 HIS C C 169 175.835 175.835 176.078 -0.243 19945 16962 1 17 . 1 1 169 169 HIS CA C 169 56.273 56.273 56.843 -0.570 19945 16963 1 17 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.478 -0.756 19945 16964 1 17 . 1 1 169 169 HIS H H 169 7.550 7.550 7.894 -0.344 19945 16965 1 17 . 1 1 170 170 LEU N N 170 117.250 117.250 118.303 -1.053 19945 16966 1 17 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.120 -0.117 19945 16967 1 17 . 1 1 170 170 LEU C C 170 178.096 178.096 177.702 0.394 19945 16968 1 17 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.410 1.558 19945 16969 1 17 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.378 0.480 19945 16970 1 17 . 1 1 170 170 LEU H H 170 8.069 8.069 7.823 0.246 19945 16971 1 17 . 1 1 171 171 ASP N N 171 117.300 117.300 120.312 -3.012 19945 16972 1 17 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.278 0.057 19945 16973 1 17 . 1 1 171 171 ASP C C 171 177.915 177.915 178.103 -0.188 19945 16974 1 17 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.187 -1.497 19945 16975 1 17 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.819 -0.758 19945 16976 1 17 . 1 1 171 171 ASP H H 171 8.732 8.732 8.430 0.302 19945 16977 1 17 . 1 1 172 172 GLU N N 172 119.203 119.203 116.388 2.815 19945 16978 1 17 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.189 0.038 19945 16979 1 17 . 1 1 172 172 GLU C C 172 178.277 178.277 177.443 0.834 19945 16980 1 17 . 1 1 172 172 GLU CA C 172 58.132 58.132 57.996 0.136 19945 16981 1 17 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.531 0.469 19945 16982 1 17 . 1 1 172 172 GLU H H 172 7.804 7.804 7.985 -0.181 19945 16983 1 17 . 1 1 173 173 ILE N N 173 119.519 119.519 117.079 2.440 19945 16984 1 17 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.132 -0.079 19945 16985 1 17 . 1 1 173 173 ILE C C 173 178.006 178.006 178.179 -0.173 19945 16986 1 17 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.237 0.363 19945 16987 1 17 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.321 -0.321 19945 16988 1 17 . 1 1 173 173 ILE H H 173 7.787 7.787 7.630 0.157 19945 16989 1 17 . 1 1 174 174 LEU N N 174 121.260 121.260 118.080 3.180 19945 16990 1 17 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.302 -0.016 19945 16991 1 17 . 1 1 174 174 LEU C C 174 177.704 177.704 177.444 0.260 19945 16992 1 17 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.357 -1.084 19945 16993 1 17 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.484 -0.025 19945 16994 1 17 . 1 1 174 174 LEU H H 174 8.241 8.241 8.454 -0.213 19945 16995 1 17 . 1 1 175 175 ASN N N 175 118.280 118.280 117.655 0.625 19945 16996 1 17 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.822 0.007 19945 16997 1 17 . 1 1 175 175 ASN C C 175 173.846 173.846 174.929 -1.083 19945 16998 1 17 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.631 1.591 19945 16999 1 17 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.229 0.042 19945 17000 1 17 . 1 1 175 175 ASN H H 175 7.883 7.883 8.007 -0.124 19945 17001 1 18 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.817 -0.565 19945 17002 1 18 . 1 1 2 2 ALA C C 2 174.479 174.479 177.888 -3.409 19945 17003 1 18 . 1 1 2 2 ALA CA C 2 53.468 53.468 51.843 1.625 19945 17004 1 18 . 1 1 2 2 ALA CB C 2 19.167 19.167 20.165 -0.998 19945 17005 1 18 . 1 1 3 3 ILE N N 3 116.571 116.571 114.541 2.030 19945 17006 1 18 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.399 0.146 19945 17007 1 18 . 1 1 3 3 ILE C C 3 175.806 175.806 175.821 -0.015 19945 17008 1 18 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.177 1.018 19945 17009 1 18 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.729 0.681 19945 17010 1 18 . 1 1 3 3 ILE H H 3 8.456 8.456 8.075 0.381 19945 17011 1 18 . 1 1 4 4 THR N N 4 115.734 115.734 117.734 -2.000 19945 17012 1 18 . 1 1 4 4 THR HA H 4 5.124 5.124 5.113 0.011 19945 17013 1 18 . 1 1 4 4 THR C C 4 172.410 172.410 173.604 -1.194 19945 17014 1 18 . 1 1 4 4 THR CA C 4 61.724 61.724 61.311 0.413 19945 17015 1 18 . 1 1 4 4 THR CB C 4 70.059 70.059 70.646 -0.587 19945 17016 1 18 . 1 1 4 4 THR H H 4 8.244 8.244 8.112 0.132 19945 17017 1 18 . 1 1 5 5 GLY N N 5 116.016 116.016 112.380 3.636 19945 17018 1 18 . 1 1 5 5 GLY C C 5 171.077 171.077 172.380 -1.303 19945 17019 1 18 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.126 0.383 19945 17020 1 18 . 1 1 5 5 GLY H H 5 8.554 8.554 8.802 -0.248 19945 17021 1 18 . 1 1 6 6 ILE N N 6 126.504 126.504 126.162 0.342 19945 17022 1 18 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.877 0.574 19945 17023 1 18 . 1 1 6 6 ILE C C 6 175.245 175.245 174.551 0.694 19945 17024 1 18 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.184 -1.266 19945 17025 1 18 . 1 1 6 6 ILE CB C 6 38.208 38.208 39.094 -0.886 19945 17026 1 18 . 1 1 6 6 ILE H H 6 8.719 8.719 8.929 -0.210 19945 17027 1 18 . 1 1 7 7 PHE N N 7 127.559 127.559 126.521 1.038 19945 17028 1 18 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.531 0.082 19945 17029 1 18 . 1 1 7 7 PHE C C 7 174.634 174.634 174.917 -0.283 19945 17030 1 18 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.024 -0.361 19945 17031 1 18 . 1 1 7 7 PHE CB C 7 41.688 41.688 41.776 -0.088 19945 17032 1 18 . 1 1 7 7 PHE H H 7 9.609 9.609 9.496 0.113 19945 17033 1 18 . 1 1 8 8 PHE N N 8 120.006 120.006 120.642 -0.636 19945 17034 1 18 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.499 0.725 19945 17035 1 18 . 1 1 8 8 PHE C C 8 171.212 171.212 174.391 -3.179 19945 17036 1 18 . 1 1 8 8 PHE CA C 8 54.679 54.679 54.781 -0.102 19945 17037 1 18 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.983 1.538 19945 17038 1 18 . 1 1 8 8 PHE H H 8 8.545 8.545 8.820 -0.275 19945 17039 1 18 . 1 1 9 9 GLY N N 9 109.650 109.650 109.402 0.248 19945 17040 1 18 . 1 1 9 9 GLY C C 9 172.512 172.512 172.527 -0.015 19945 17041 1 18 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.857 0.461 19945 17042 1 18 . 1 1 9 9 GLY H H 9 7.701 7.701 8.031 -0.331 19945 17043 1 18 . 1 1 10 10 SER N N 10 115.953 115.953 116.978 -1.025 19945 17044 1 18 . 1 1 10 10 SER HA H 10 5.001 5.001 4.912 0.089 19945 17045 1 18 . 1 1 10 10 SER C C 10 173.439 173.439 173.091 0.348 19945 17046 1 18 . 1 1 10 10 SER CA C 10 58.308 58.308 58.130 0.178 19945 17047 1 18 . 1 1 10 10 SER CB C 10 66.423 66.423 66.828 -0.405 19945 17048 1 18 . 1 1 10 10 SER H H 10 8.634 8.634 7.990 0.644 19945 17049 1 18 . 1 1 11 11 ASP N N 11 104.000 104.000 121.702 -17.702 19945 17050 1 18 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.676 0.298 19945 17051 1 18 . 1 1 11 11 ASP C C 11 179.108 179.108 177.021 2.087 19945 17052 1 18 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.375 0.174 19945 17053 1 18 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.269 -1.169 19945 17054 1 18 . 1 1 11 11 ASP H H 11 11.201 11.201 8.905 2.296 19945 17055 1 18 . 1 1 12 12 THR N N 12 112.000 112.000 114.132 -2.132 19945 17056 1 18 . 1 1 12 12 THR HA H 12 4.804 4.804 4.348 0.456 19945 17057 1 18 . 1 1 12 12 THR C C 12 175.080 175.080 176.182 -1.102 19945 17058 1 18 . 1 1 12 12 THR CA C 12 60.237 60.237 62.898 -2.661 19945 17059 1 18 . 1 1 12 12 THR CB C 12 68.567 68.567 69.043 -0.476 19945 17060 1 18 . 1 1 12 12 THR H H 12 9.311 9.311 8.433 0.878 19945 17061 1 18 . 1 1 13 13 GLY N N 13 112.221 112.221 111.101 1.120 19945 17062 1 18 . 1 1 13 13 GLY C C 13 176.690 176.690 174.152 2.538 19945 17063 1 18 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.046 1.254 19945 17064 1 18 . 1 1 13 13 GLY H H 13 8.000 8.000 8.534 -0.534 19945 17065 1 18 . 1 1 14 14 ASN N N 14 128.520 128.520 117.829 10.691 19945 17066 1 18 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.647 -0.021 19945 17067 1 18 . 1 1 14 14 ASN C C 14 178.888 178.888 177.170 1.718 19945 17068 1 18 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.013 2.051 19945 17069 1 18 . 1 1 14 14 ASN CB C 14 36.834 36.834 39.319 -2.486 19945 17070 1 18 . 1 1 14 14 ASN H H 14 11.112 11.112 8.548 2.564 19945 17071 1 18 . 1 1 15 15 THR N N 15 122.550 122.550 117.347 5.203 19945 17072 1 18 . 1 1 15 15 THR HA H 15 4.369 4.369 4.068 0.301 19945 17073 1 18 . 1 1 15 15 THR C C 15 176.786 176.786 175.113 1.673 19945 17074 1 18 . 1 1 15 15 THR CA C 15 67.325 67.325 65.411 1.914 19945 17075 1 18 . 1 1 15 15 THR CB C 15 67.961 67.961 68.618 -0.658 19945 17076 1 18 . 1 1 15 15 THR H H 15 11.327 11.327 7.956 3.371 19945 17077 1 18 . 1 1 16 16 GLU N N 16 120.578 120.578 121.405 -0.827 19945 17078 1 18 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.343 -0.056 19945 17079 1 18 . 1 1 16 16 GLU C C 16 176.642 176.642 177.870 -1.228 19945 17080 1 18 . 1 1 16 16 GLU CA C 16 59.069 59.069 58.786 0.283 19945 17081 1 18 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.224 0.153 19945 17082 1 18 . 1 1 16 16 GLU H H 16 6.590 6.590 7.933 -1.343 19945 17083 1 18 . 1 1 17 17 ASN N N 17 118.000 118.000 118.580 -0.580 19945 17084 1 18 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.457 -0.147 19945 17085 1 18 . 1 1 17 17 ASN C C 17 178.255 178.255 177.392 0.863 19945 17086 1 18 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.346 0.955 19945 17087 1 18 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.216 -0.578 19945 17088 1 18 . 1 1 17 17 ASN H H 17 7.705 7.705 7.543 0.162 19945 17089 1 18 . 1 1 18 18 ILE N N 18 119.430 119.430 120.227 -0.797 19945 17090 1 18 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.724 -0.072 19945 17091 1 18 . 1 1 18 18 ILE C C 18 177.564 177.564 177.717 -0.153 19945 17092 1 18 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.068 -0.568 19945 17093 1 18 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.502 -1.952 19945 17094 1 18 . 1 1 18 18 ILE H H 18 8.141 8.141 7.245 0.896 19945 17095 1 18 . 1 1 19 19 ALA N N 19 123.208 123.208 122.465 0.743 19945 17096 1 18 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.903 -0.234 19945 17097 1 18 . 1 1 19 19 ALA C C 19 178.888 178.888 179.553 -0.665 19945 17098 1 18 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.565 0.090 19945 17099 1 18 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.047 0.768 19945 17100 1 18 . 1 1 19 19 ALA H H 19 8.304 8.304 8.543 -0.239 19945 17101 1 18 . 1 1 20 20 LYS N N 20 116.460 116.460 118.920 -2.460 19945 17102 1 18 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.991 -0.175 19945 17103 1 18 . 1 1 20 20 LYS C C 20 179.666 179.666 179.096 0.570 19945 17104 1 18 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.340 0.482 19945 17105 1 18 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.311 -0.213 19945 17106 1 18 . 1 1 20 20 LYS H H 20 7.722 7.722 7.758 -0.036 19945 17107 1 18 . 1 1 21 21 MET N N 21 123.880 123.880 118.780 5.100 19945 17108 1 18 . 1 1 21 21 MET HA H 21 3.946 3.946 4.040 -0.094 19945 17109 1 18 . 1 1 21 21 MET C C 21 179.435 179.435 178.867 0.568 19945 17110 1 18 . 1 1 21 21 MET CA C 21 59.662 59.662 59.188 0.474 19945 17111 1 18 . 1 1 21 21 MET CB C 21 34.262 34.262 32.550 1.712 19945 17112 1 18 . 1 1 21 21 MET H H 21 8.336 8.336 8.115 0.221 19945 17113 1 18 . 1 1 22 22 ILE N N 22 122.065 122.065 120.136 1.929 19945 17114 1 18 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.554 -0.309 19945 17115 1 18 . 1 1 22 22 ILE C C 22 177.592 177.592 177.608 -0.016 19945 17116 1 18 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.378 0.346 19945 17117 1 18 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.571 0.106 19945 17118 1 18 . 1 1 22 22 ILE H H 22 8.500 8.500 8.031 0.469 19945 17119 1 18 . 1 1 23 23 GLN N N 23 119.264 119.264 120.297 -1.033 19945 17120 1 18 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.821 -0.377 19945 17121 1 18 . 1 1 23 23 GLN C C 23 177.017 177.017 178.246 -1.229 19945 17122 1 18 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.415 0.276 19945 17123 1 18 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.629 -0.781 19945 17124 1 18 . 1 1 23 23 GLN H H 23 7.985 7.985 8.471 -0.486 19945 17125 1 18 . 1 1 24 24 LYS N N 24 118.970 118.970 117.382 1.588 19945 17126 1 18 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.028 -0.108 19945 17127 1 18 . 1 1 24 24 LYS C C 24 178.427 178.427 179.163 -0.736 19945 17128 1 18 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.636 0.524 19945 17129 1 18 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.907 0.457 19945 17130 1 18 . 1 1 24 24 LYS H H 24 7.942 7.942 8.363 -0.421 19945 17131 1 18 . 1 1 25 25 GLN N N 25 118.400 118.400 117.601 0.799 19945 17132 1 18 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.086 -0.083 19945 17133 1 18 . 1 1 25 25 GLN C C 25 178.226 178.226 177.522 0.704 19945 17134 1 18 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.798 0.285 19945 17135 1 18 . 1 1 25 25 GLN CB C 25 28.910 28.910 29.029 -0.118 19945 17136 1 18 . 1 1 25 25 GLN H H 25 7.636 7.636 7.536 0.100 19945 17137 1 18 . 1 1 26 26 LEU N N 26 119.080 119.080 117.236 1.844 19945 17138 1 18 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.124 -0.105 19945 17139 1 18 . 1 1 26 26 LEU C C 26 177.247 177.247 176.798 0.449 19945 17140 1 18 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.947 1.122 19945 17141 1 18 . 1 1 26 26 LEU CB C 26 43.149 43.149 43.055 0.094 19945 17142 1 18 . 1 1 26 26 LEU H H 26 8.098 8.098 7.700 0.398 19945 17143 1 18 . 1 1 27 27 GLY N N 27 107.750 107.750 103.882 3.868 19945 17144 1 18 . 1 1 27 27 GLY C C 27 175.231 175.231 174.911 0.320 19945 17145 1 18 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.591 -0.531 19945 17146 1 18 . 1 1 27 27 GLY H H 27 8.050 8.050 7.831 0.219 19945 17147 1 18 . 1 1 28 28 LYS N N 28 125.187 125.187 122.861 2.326 19945 17148 1 18 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.241 -0.018 19945 17149 1 18 . 1 1 28 28 LYS C C 28 176.372 176.372 177.255 -0.883 19945 17150 1 18 . 1 1 28 28 LYS CA C 28 58.929 58.929 57.784 1.145 19945 17151 1 18 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.189 -0.091 19945 17152 1 18 . 1 1 28 28 LYS H H 28 8.786 8.786 8.565 0.221 19945 17153 1 18 . 1 1 29 29 ASP N N 29 115.960 115.960 115.542 0.418 19945 17154 1 18 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.551 0.024 19945 17155 1 18 . 1 1 29 29 ASP C C 29 176.437 176.437 177.697 -1.260 19945 17156 1 18 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.375 -1.165 19945 17157 1 18 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.744 -0.942 19945 17158 1 18 . 1 1 29 29 ASP H H 29 8.919 8.919 8.405 0.514 19945 17159 1 18 . 1 1 30 30 VAL N N 30 120.609 120.609 118.774 1.835 19945 17160 1 18 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.009 0.047 19945 17161 1 18 . 1 1 30 30 VAL C C 30 174.656 174.656 174.807 -0.151 19945 17162 1 18 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.689 0.031 19945 17163 1 18 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.844 -0.006 19945 17164 1 18 . 1 1 30 30 VAL H H 30 7.573 7.573 7.512 0.061 19945 17165 1 18 . 1 1 31 31 ALA N N 31 123.100 123.100 119.087 4.013 19945 17166 1 18 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.164 0.367 19945 17167 1 18 . 1 1 31 31 ALA C C 31 175.174 175.174 174.794 0.380 19945 17168 1 18 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.392 -0.230 19945 17169 1 18 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.266 1.065 19945 17170 1 18 . 1 1 31 31 ALA H H 31 7.951 7.951 8.113 -0.162 19945 17171 1 18 . 1 1 32 32 ASP N N 32 121.576 121.576 120.666 0.910 19945 17172 1 18 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.996 -0.127 19945 17173 1 18 . 1 1 32 32 ASP C C 32 174.771 174.771 174.029 0.742 19945 17174 1 18 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.768 0.644 19945 17175 1 18 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.002 -1.214 19945 17176 1 18 . 1 1 32 32 ASP H H 32 8.175 8.175 8.534 -0.359 19945 17177 1 18 . 1 1 33 33 VAL N N 33 120.428 120.428 120.744 -0.316 19945 17178 1 18 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.686 -0.029 19945 17179 1 18 . 1 1 33 33 VAL C C 33 174.252 174.252 174.845 -0.593 19945 17180 1 18 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.092 0.211 19945 17181 1 18 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.644 -0.768 19945 17182 1 18 . 1 1 33 33 VAL H H 33 8.397 8.397 8.101 0.296 19945 17183 1 18 . 1 1 34 34 HIS N N 34 125.285 125.285 124.023 1.262 19945 17184 1 18 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.873 -0.320 19945 17185 1 18 . 1 1 34 34 HIS C C 34 171.920 171.920 172.618 -0.698 19945 17186 1 18 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.493 -0.922 19945 17187 1 18 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.955 -0.535 19945 17188 1 18 . 1 1 34 34 HIS H H 34 8.945 8.945 9.039 -0.094 19945 17189 1 18 . 1 1 35 35 ASP N N 35 124.120 124.120 119.107 5.013 19945 17190 1 18 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.923 -1.626 19945 17191 1 18 . 1 1 35 35 ASP C C 35 179.780 179.780 176.789 2.991 19945 17192 1 18 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.062 -0.306 19945 17193 1 18 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.143 -1.747 19945 17194 1 18 . 1 1 35 35 ASP H H 35 8.589 8.589 8.592 -0.003 19945 17195 1 18 . 1 1 36 36 ILE N N 36 106.681 106.681 126.799 -20.118 19945 17196 1 18 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.555 -0.001 19945 17197 1 18 . 1 1 36 36 ILE C C 36 175.404 175.404 177.154 -1.750 19945 17198 1 18 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.599 -3.249 19945 17199 1 18 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.232 2.039 19945 17200 1 18 . 1 1 36 36 ILE H H 36 9.705 9.705 9.040 0.665 19945 17201 1 18 . 1 1 37 37 ALA N N 37 123.095 123.095 123.268 -0.173 19945 17202 1 18 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.999 0.090 19945 17203 1 18 . 1 1 37 37 ALA C C 37 178.140 178.140 178.623 -0.483 19945 17204 1 18 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.617 -1.001 19945 17205 1 18 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.413 0.933 19945 17206 1 18 . 1 1 37 37 ALA H H 37 8.261 8.261 8.779 -0.518 19945 17207 1 18 . 1 1 38 38 LYS N N 38 115.312 115.312 117.343 -2.031 19945 17208 1 18 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.234 0.377 19945 17209 1 18 . 1 1 38 38 LYS C C 38 176.498 176.498 176.970 -0.472 19945 17210 1 18 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.913 -2.766 19945 17211 1 18 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.957 0.469 19945 17212 1 18 . 1 1 38 38 LYS H H 38 7.437 7.437 7.928 -0.491 19945 17213 1 18 . 1 1 39 39 SER N N 39 115.623 115.623 116.510 -0.887 19945 17214 1 18 . 1 1 39 39 SER HA H 39 5.019 5.019 4.559 0.460 19945 17215 1 18 . 1 1 39 39 SER C C 39 171.402 171.402 173.552 -2.150 19945 17216 1 18 . 1 1 39 39 SER CA C 39 58.929 58.929 59.405 -0.476 19945 17217 1 18 . 1 1 39 39 SER CB C 39 65.538 65.538 63.918 1.620 19945 17218 1 18 . 1 1 39 39 SER H H 39 7.051 7.051 7.515 -0.464 19945 17219 1 18 . 1 1 40 40 SER N N 40 118.860 118.860 115.527 3.333 19945 17220 1 18 . 1 1 40 40 SER HA H 40 5.025 5.025 4.886 0.139 19945 17221 1 18 . 1 1 40 40 SER C C 40 174.741 174.741 175.295 -0.554 19945 17222 1 18 . 1 1 40 40 SER CA C 40 56.003 56.003 56.541 -0.538 19945 17223 1 18 . 1 1 40 40 SER CB C 40 67.416 67.416 65.391 2.026 19945 17224 1 18 . 1 1 40 40 SER H H 40 9.377 9.377 8.229 1.148 19945 17225 1 18 . 1 1 41 41 LYS N N 41 122.504 122.504 123.767 -1.263 19945 17226 1 18 . 1 1 41 41 LYS HA H 41 3.738 3.738 3.933 -0.195 19945 17227 1 18 . 1 1 41 41 LYS C C 41 177.391 177.391 178.154 -0.763 19945 17228 1 18 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.149 0.824 19945 17229 1 18 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.281 1.026 19945 17230 1 18 . 1 1 41 41 LYS H H 41 9.098 9.098 8.912 0.186 19945 17231 1 18 . 1 1 42 42 GLU N N 42 115.836 115.836 115.812 0.024 19945 17232 1 18 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.148 -0.020 19945 17233 1 18 . 1 1 42 42 GLU C C 42 178.773 178.773 177.910 0.863 19945 17234 1 18 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.929 2.063 19945 17235 1 18 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.259 -0.615 19945 17236 1 18 . 1 1 42 42 GLU H H 42 8.839 8.839 8.549 0.290 19945 17237 1 18 . 1 1 43 43 ASP N N 43 119.589 119.589 120.267 -0.678 19945 17238 1 18 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.431 0.055 19945 17239 1 18 . 1 1 43 43 ASP C C 43 177.564 177.564 177.436 0.128 19945 17240 1 18 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.684 0.917 19945 17241 1 18 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.868 -0.062 19945 17242 1 18 . 1 1 43 43 ASP H H 43 7.794 7.794 7.950 -0.156 19945 17243 1 18 . 1 1 44 44 LEU N N 44 118.745 118.745 118.967 -0.222 19945 17244 1 18 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.273 -0.302 19945 17245 1 18 . 1 1 44 44 LEU C C 44 178.600 178.600 178.949 -0.349 19945 17246 1 18 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.497 2.385 19945 17247 1 18 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.472 0.252 19945 17248 1 18 . 1 1 44 44 LEU H H 44 6.854 6.854 7.575 -0.721 19945 17249 1 18 . 1 1 45 45 GLU N N 45 114.280 114.280 119.359 -5.079 19945 17250 1 18 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.980 -0.353 19945 17251 1 18 . 1 1 45 45 GLU C C 45 176.988 176.988 178.084 -1.096 19945 17252 1 18 . 1 1 45 45 GLU CA C 45 58.676 58.676 59.031 -0.355 19945 17253 1 18 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.289 0.949 19945 17254 1 18 . 1 1 45 45 GLU H H 45 7.571 7.571 7.666 -0.095 19945 17255 1 18 . 1 1 46 46 ALA N N 46 118.860 118.860 120.876 -2.016 19945 17256 1 18 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.065 -0.027 19945 17257 1 18 . 1 1 46 46 ALA C C 46 176.901 176.901 177.904 -1.003 19945 17258 1 18 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.350 -0.031 19945 17259 1 18 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.868 0.213 19945 17260 1 18 . 1 1 46 46 ALA H H 46 7.026 7.026 7.462 -0.436 19945 17261 1 18 . 1 1 47 47 TYR N N 47 115.674 115.674 116.455 -0.781 19945 17262 1 18 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.557 0.174 19945 17263 1 18 . 1 1 47 47 TYR C C 47 175.807 175.807 175.959 -0.152 19945 17264 1 18 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.063 -1.456 19945 17265 1 18 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.917 1.745 19945 17266 1 18 . 1 1 47 47 TYR H H 47 7.277 7.277 7.454 -0.177 19945 17267 1 18 . 1 1 48 48 ASP N N 48 121.598 121.598 120.728 0.870 19945 17268 1 18 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.997 -0.089 19945 17269 1 18 . 1 1 48 48 ASP C C 48 175.030 175.030 175.041 -0.011 19945 17270 1 18 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.189 0.019 19945 17271 1 18 . 1 1 48 48 ASP CB C 48 41.646 41.646 43.448 -1.802 19945 17272 1 18 . 1 1 48 48 ASP H H 48 9.546 9.546 8.577 0.969 19945 17273 1 18 . 1 1 49 49 ILE N N 49 119.608 119.608 120.040 -0.432 19945 17274 1 18 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.069 0.225 19945 17275 1 18 . 1 1 49 49 ILE C C 49 175.059 175.059 174.313 0.746 19945 17276 1 18 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.500 0.030 19945 17277 1 18 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.968 -0.900 19945 17278 1 18 . 1 1 49 49 ILE H H 49 7.331 7.331 7.708 -0.377 19945 17279 1 18 . 1 1 50 50 LEU N N 50 127.901 127.901 125.268 2.633 19945 17280 1 18 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.472 0.188 19945 17281 1 18 . 1 1 50 50 LEU C C 50 174.598 174.598 175.337 -0.739 19945 17282 1 18 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.446 -0.626 19945 17283 1 18 . 1 1 50 50 LEU CB C 50 48.037 48.037 46.269 1.768 19945 17284 1 18 . 1 1 50 50 LEU H H 50 9.095 9.095 8.934 0.161 19945 17285 1 18 . 1 1 51 51 LEU N N 51 123.440 123.440 122.840 0.600 19945 17286 1 18 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.364 0.668 19945 17287 1 18 . 1 1 51 51 LEU C C 51 175.894 175.894 175.200 0.694 19945 17288 1 18 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.218 -0.906 19945 17289 1 18 . 1 1 51 51 LEU CB C 51 44.318 44.318 45.159 -0.841 19945 17290 1 18 . 1 1 51 51 LEU H H 51 9.275 9.275 9.142 0.133 19945 17291 1 18 . 1 1 52 52 LEU N N 52 123.320 123.320 124.849 -1.529 19945 17292 1 18 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.451 0.205 19945 17293 1 18 . 1 1 52 52 LEU C C 52 173.763 173.763 175.793 -2.030 19945 17294 1 18 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.295 -0.418 19945 17295 1 18 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.864 -2.377 19945 17296 1 18 . 1 1 52 52 LEU H H 52 9.024 9.024 9.120 -0.096 19945 17297 1 18 . 1 1 53 53 GLY N N 53 110.739 110.739 111.968 -1.229 19945 17298 1 18 . 1 1 53 53 GLY C C 53 174.530 174.530 171.329 3.201 19945 17299 1 18 . 1 1 53 53 GLY CA C 53 42.989 42.989 42.784 0.205 19945 17300 1 18 . 1 1 53 53 GLY H H 53 9.283 9.283 9.249 0.034 19945 17301 1 18 . 1 1 54 54 ILE N N 54 126.032 126.032 123.335 2.697 19945 17302 1 18 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.086 1.120 19945 17303 1 18 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.472 -0.465 19945 17304 1 18 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.804 1.186 19945 17305 1 18 . 1 1 54 54 ILE H H 54 9.136 9.136 8.337 0.799 19945 17306 1 18 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.843 0.474 19945 17307 1 18 . 1 1 55 55 PRO C C 55 174.771 174.771 176.204 -1.433 19945 17308 1 18 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.870 -0.122 19945 17309 1 18 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.501 0.513 19945 17310 1 18 . 1 1 56 56 THR N N 56 113.710 113.710 118.977 -5.267 19945 17311 1 18 . 1 1 56 56 THR HA H 56 4.582 4.582 4.746 -0.164 19945 17312 1 18 . 1 1 56 56 THR C C 56 171.719 171.719 174.099 -2.380 19945 17313 1 18 . 1 1 56 56 THR CA C 56 62.383 62.383 63.563 -1.180 19945 17314 1 18 . 1 1 56 56 THR CB C 56 69.692 69.692 70.361 -0.669 19945 17315 1 18 . 1 1 56 56 THR H H 56 6.599 6.599 8.138 -1.539 19945 17316 1 18 . 1 1 57 57 TRP N N 57 130.050 130.050 125.526 4.524 19945 17317 1 18 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.484 -1.858 19945 17318 1 18 . 1 1 57 57 TRP C C 57 172.611 172.611 174.866 -2.255 19945 17319 1 18 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.484 -0.209 19945 17320 1 18 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.753 2.001 19945 17321 1 18 . 1 1 57 57 TRP H H 57 8.865 8.865 8.858 0.007 19945 17322 1 18 . 1 1 58 58 TYR N N 58 112.793 112.793 119.045 -6.252 19945 17323 1 18 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.159 0.057 19945 17324 1 18 . 1 1 58 58 TYR C C 58 173.619 173.619 174.848 -1.229 19945 17325 1 18 . 1 1 58 58 TYR CA C 58 59.200 59.200 58.730 0.470 19945 17326 1 18 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.309 -0.109 19945 17327 1 18 . 1 1 58 58 TYR H H 58 5.730 5.730 8.180 -2.450 19945 17328 1 18 . 1 1 59 59 TYR N N 59 112.220 112.220 115.898 -3.678 19945 17329 1 18 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.860 -0.465 19945 17330 1 18 . 1 1 59 59 TYR C C 59 175.865 175.865 176.280 -0.415 19945 17331 1 18 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.897 1.563 19945 17332 1 18 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.793 -2.183 19945 17333 1 18 . 1 1 59 59 TYR H H 59 7.661 7.661 7.640 0.021 19945 17334 1 18 . 1 1 60 60 GLY N N 60 104.550 104.550 106.601 -2.051 19945 17335 1 18 . 1 1 60 60 GLY C C 60 174.483 174.483 173.635 0.848 19945 17336 1 18 . 1 1 60 60 GLY CA C 60 46.178 46.178 44.872 1.306 19945 17337 1 18 . 1 1 60 60 GLY H H 60 8.142 8.142 8.147 -0.005 19945 17338 1 18 . 1 1 61 61 GLU N N 61 120.991 120.991 118.776 2.215 19945 17339 1 18 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.916 -0.478 19945 17340 1 18 . 1 1 61 61 GLU C C 61 175.548 175.548 175.240 0.308 19945 17341 1 18 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.837 0.640 19945 17342 1 18 . 1 1 61 61 GLU CB C 61 30.500 30.500 33.663 -3.163 19945 17343 1 18 . 1 1 61 61 GLU H H 61 8.307 8.307 8.286 0.021 19945 17344 1 18 . 1 1 62 62 ALA N N 62 122.750 122.750 123.205 -0.455 19945 17345 1 18 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.647 -0.441 19945 17346 1 18 . 1 1 62 62 ALA C C 62 176.671 176.671 177.143 -0.472 19945 17347 1 18 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.434 0.376 19945 17348 1 18 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.363 0.843 19945 17349 1 18 . 1 1 62 62 ALA H H 62 8.722 8.722 8.657 0.065 19945 17350 1 18 . 1 1 63 63 GLN N N 63 120.579 120.579 118.873 1.706 19945 17351 1 18 . 1 1 63 63 GLN HA H 63 3.886 3.886 3.937 -0.051 19945 17352 1 18 . 1 1 63 63 GLN C C 63 176.757 176.757 177.335 -0.578 19945 17353 1 18 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.595 2.014 19945 17354 1 18 . 1 1 63 63 GLN H H 63 6.302 6.302 8.600 -2.298 19945 17355 1 18 . 1 1 64 64 CYS N N 64 125.487 125.487 124.049 1.438 19945 17356 1 18 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.055 0.056 19945 17357 1 18 . 1 1 64 64 CYS C C 64 174.972 174.972 176.697 -1.725 19945 17358 1 18 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.103 -0.614 19945 17359 1 18 . 1 1 64 64 CYS CB C 64 27.582 27.582 26.547 1.035 19945 17360 1 18 . 1 1 64 64 CYS H H 64 9.091 9.091 8.789 0.302 19945 17361 1 18 . 1 1 65 65 ASP N N 65 120.298 120.298 119.874 0.424 19945 17362 1 18 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.432 -0.033 19945 17363 1 18 . 1 1 65 65 ASP C C 65 179.000 179.000 178.717 0.283 19945 17364 1 18 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.497 0.635 19945 17365 1 18 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.339 0.884 19945 17366 1 18 . 1 1 65 65 ASP H H 65 7.093 7.093 8.679 -1.586 19945 17367 1 18 . 1 1 66 66 TRP N N 66 122.608 122.608 120.696 1.912 19945 17368 1 18 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.135 0.081 19945 17369 1 18 . 1 1 66 66 TRP C C 66 176.930 176.930 177.648 -0.718 19945 17370 1 18 . 1 1 66 66 TRP CA C 66 60.523 60.523 58.718 1.806 19945 17371 1 18 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.562 0.399 19945 17372 1 18 . 1 1 66 66 TRP H H 66 7.394 7.394 7.652 -0.258 19945 17373 1 18 . 1 1 67 67 ASP N N 67 118.860 118.860 118.867 -0.007 19945 17374 1 18 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.950 -0.425 19945 17375 1 18 . 1 1 67 67 ASP C C 67 179.579 179.579 177.704 1.875 19945 17376 1 18 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.151 0.190 19945 17377 1 18 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.795 1.605 19945 17378 1 18 . 1 1 67 67 ASP H H 67 8.087 8.087 7.980 0.107 19945 17379 1 18 . 1 1 68 68 ASP N N 68 116.220 116.220 118.424 -2.204 19945 17380 1 18 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.447 -0.091 19945 17381 1 18 . 1 1 68 68 ASP C C 68 176.873 176.873 176.893 -0.020 19945 17382 1 18 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.859 0.396 19945 17383 1 18 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.130 -0.323 19945 17384 1 18 . 1 1 68 68 ASP H H 68 8.056 8.056 7.997 0.059 19945 17385 1 18 . 1 1 69 69 PHE N N 69 120.493 120.493 117.810 2.683 19945 17386 1 18 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.299 0.064 19945 17387 1 18 . 1 1 69 69 PHE C C 69 177.103 177.103 176.189 0.914 19945 17388 1 18 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.583 -0.654 19945 17389 1 18 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.996 1.534 19945 17390 1 18 . 1 1 69 69 PHE H H 69 7.659 7.659 7.325 0.334 19945 17391 1 18 . 1 1 70 70 PHE N N 70 122.293 122.293 119.702 2.591 19945 17392 1 18 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.256 0.762 19945 17393 1 18 . 1 1 70 70 PHE C C 70 174.396 174.396 174.616 -0.220 19945 17394 1 18 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.851 -2.728 19945 17395 1 18 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.432 -0.677 19945 17396 1 18 . 1 1 70 70 PHE H H 70 8.197 8.197 8.220 -0.023 19945 17397 1 18 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.545 -0.147 19945 17398 1 18 . 1 1 71 71 PRO C C 71 179.118 179.118 177.308 1.810 19945 17399 1 18 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.912 1.455 19945 17400 1 18 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.023 -0.093 19945 17401 1 18 . 1 1 72 72 THR N N 72 114.461 114.461 113.193 1.268 19945 17402 1 18 . 1 1 72 72 THR HA H 72 3.816 3.816 4.271 -0.455 19945 17403 1 18 . 1 1 72 72 THR C C 72 176.498 176.498 176.509 -0.011 19945 17404 1 18 . 1 1 72 72 THR CA C 72 65.803 65.803 64.122 1.681 19945 17405 1 18 . 1 1 72 72 THR CB C 72 67.203 67.203 68.894 -1.691 19945 17406 1 18 . 1 1 72 72 THR H H 72 7.534 7.534 7.789 -0.255 19945 17407 1 18 . 1 1 73 73 LEU N N 73 124.812 124.812 124.243 0.569 19945 17408 1 18 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.092 -0.002 19945 17409 1 18 . 1 1 73 73 LEU C C 73 177.996 177.996 177.861 0.135 19945 17410 1 18 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.236 -0.085 19945 17411 1 18 . 1 1 73 73 LEU CB C 73 43.786 43.786 41.943 1.843 19945 17412 1 18 . 1 1 73 73 LEU H H 73 8.123 8.123 8.150 -0.027 19945 17413 1 18 . 1 1 74 74 GLU N N 74 111.877 111.877 117.167 -5.290 19945 17414 1 18 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.115 -0.290 19945 17415 1 18 . 1 1 74 74 GLU C C 74 176.930 176.930 177.845 -0.915 19945 17416 1 18 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.555 -0.880 19945 17417 1 18 . 1 1 74 74 GLU CB C 74 30.021 30.021 28.793 1.228 19945 17418 1 18 . 1 1 74 74 GLU H H 74 7.933 7.933 8.404 -0.471 19945 17419 1 18 . 1 1 75 75 GLU N N 75 116.571 116.571 118.379 -1.808 19945 17420 1 18 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.192 0.155 19945 17421 1 18 . 1 1 75 75 GLU C C 75 177.045 177.045 176.626 0.419 19945 17422 1 18 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.447 -0.421 19945 17423 1 18 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.029 0.480 19945 17424 1 18 . 1 1 75 75 GLU H H 75 7.659 7.659 7.795 -0.136 19945 17425 1 18 . 1 1 76 76 ILE N N 76 123.080 123.080 120.662 2.418 19945 17426 1 18 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.798 -0.021 19945 17427 1 18 . 1 1 76 76 ILE C C 76 174.656 174.656 174.951 -0.295 19945 17428 1 18 . 1 1 76 76 ILE CA C 76 62.074 62.074 60.932 1.141 19945 17429 1 18 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.405 0.600 19945 17430 1 18 . 1 1 76 76 ILE H H 76 7.468 7.468 7.300 0.168 19945 17431 1 18 . 1 1 77 77 ASP N N 77 126.540 126.540 126.313 0.227 19945 17432 1 18 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.546 0.267 19945 17433 1 18 . 1 1 77 77 ASP C C 77 176.614 176.614 175.443 1.171 19945 17434 1 18 . 1 1 77 77 ASP CA C 77 53.141 53.141 54.006 -0.865 19945 17435 1 18 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.282 -1.417 19945 17436 1 18 . 1 1 77 77 ASP H H 77 8.605 8.605 8.251 0.354 19945 17437 1 18 . 1 1 78 78 PHE N N 78 124.583 124.583 122.408 2.175 19945 17438 1 18 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.647 -0.487 19945 17439 1 18 . 1 1 78 78 PHE C C 78 175.347 175.347 176.125 -0.778 19945 17440 1 18 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.871 2.271 19945 17441 1 18 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.664 0.504 19945 17442 1 18 . 1 1 78 78 PHE H H 78 8.053 8.053 8.591 -0.538 19945 17443 1 18 . 1 1 79 79 ASN N N 79 121.321 121.321 121.200 0.121 19945 17444 1 18 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.557 -0.040 19945 17445 1 18 . 1 1 79 79 ASN C C 79 176.815 176.815 176.472 0.343 19945 17446 1 18 . 1 1 79 79 ASN CA C 79 56.452 56.452 56.530 -0.078 19945 17447 1 18 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.891 -0.152 19945 17448 1 18 . 1 1 79 79 ASN H H 79 8.695 8.695 8.384 0.311 19945 17449 1 18 . 1 1 80 80 GLY N N 80 114.150 114.150 104.499 9.651 19945 17450 1 18 . 1 1 80 80 GLY C C 80 174.195 174.195 173.915 0.280 19945 17451 1 18 . 1 1 80 80 GLY CA C 80 45.646 45.646 44.718 0.928 19945 17452 1 18 . 1 1 80 80 GLY H H 80 8.646 8.646 8.491 0.155 19945 17453 1 18 . 1 1 81 81 LYS N N 81 119.318 119.318 121.161 -1.843 19945 17454 1 18 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.938 0.099 19945 17455 1 18 . 1 1 81 81 LYS C C 81 176.268 176.268 175.088 1.180 19945 17456 1 18 . 1 1 81 81 LYS CA C 81 55.996 55.996 54.974 1.022 19945 17457 1 18 . 1 1 81 81 LYS CB C 81 33.955 33.955 35.828 -1.873 19945 17458 1 18 . 1 1 81 81 LYS H H 81 8.295 8.295 8.007 0.288 19945 17459 1 18 . 1 1 82 82 LEU N N 82 127.000 127.000 123.191 3.809 19945 17460 1 18 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.284 -0.054 19945 17461 1 18 . 1 1 82 82 LEU C C 82 175.347 175.347 175.783 -0.436 19945 17462 1 18 . 1 1 82 82 LEU CA C 82 53.804 53.804 53.775 0.029 19945 17463 1 18 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.274 0.877 19945 17464 1 18 . 1 1 82 82 LEU H H 82 8.407 8.407 8.541 -0.134 19945 17465 1 18 . 1 1 83 83 VAL N N 83 121.665 121.665 121.302 0.363 19945 17466 1 18 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.116 0.724 19945 17467 1 18 . 1 1 83 83 VAL C C 83 173.417 173.417 174.083 -0.666 19945 17468 1 18 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.213 -1.011 19945 17469 1 18 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.828 0.520 19945 17470 1 18 . 1 1 83 83 VAL H H 83 8.960 8.960 9.072 -0.112 19945 17471 1 18 . 1 1 84 84 ALA N N 84 128.017 128.017 127.534 0.483 19945 17472 1 18 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.710 -0.377 19945 17473 1 18 . 1 1 84 84 ALA C C 84 175.231 175.231 175.797 -0.566 19945 17474 1 18 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.651 0.777 19945 17475 1 18 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.100 1.028 19945 17476 1 18 . 1 1 84 84 ALA H H 84 9.021 9.021 8.968 0.053 19945 17477 1 18 . 1 1 85 85 LEU N N 85 124.220 124.220 121.611 2.609 19945 17478 1 18 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.648 -0.036 19945 17479 1 18 . 1 1 85 85 LEU C C 85 174.454 174.454 176.014 -1.560 19945 17480 1 18 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.356 -0.383 19945 17481 1 18 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.906 1.006 19945 17482 1 18 . 1 1 85 85 LEU H H 85 11.134 11.134 8.509 2.625 19945 17483 1 18 . 1 1 86 86 PHE N N 86 114.461 114.461 118.212 -3.751 19945 17484 1 18 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.237 -0.015 19945 17485 1 18 . 1 1 86 86 PHE C C 86 173.619 173.619 173.958 -0.339 19945 17486 1 18 . 1 1 86 86 PHE CA C 86 54.678 54.678 54.985 -0.307 19945 17487 1 18 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.882 1.098 19945 17488 1 18 . 1 1 86 86 PHE H H 86 8.829 8.829 9.033 -0.204 19945 17489 1 18 . 1 1 87 87 GLY N N 87 104.437 104.437 105.904 -1.467 19945 17490 1 18 . 1 1 87 87 GLY C C 87 170.423 170.423 171.699 -1.276 19945 17491 1 18 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.266 0.664 19945 17492 1 18 . 1 1 87 87 GLY H H 87 8.496 8.496 8.895 -0.399 19945 17493 1 18 . 1 1 88 88 CYS N N 88 114.166 114.166 118.986 -4.820 19945 17494 1 18 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.396 0.607 19945 17495 1 18 . 1 1 88 88 CYS C C 88 174.425 174.425 174.051 0.374 19945 17496 1 18 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.282 -0.744 19945 17497 1 18 . 1 1 88 88 CYS CB C 88 31.301 31.301 31.438 -0.137 19945 17498 1 18 . 1 1 88 88 CYS H H 88 5.354 5.354 8.060 -2.706 19945 17499 1 18 . 1 1 89 89 GLY N N 89 109.463 109.463 109.639 -0.176 19945 17500 1 18 . 1 1 89 89 GLY C C 89 173.187 173.187 171.392 1.795 19945 17501 1 18 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.946 1.497 19945 17502 1 18 . 1 1 89 89 GLY H H 89 8.404 8.404 8.236 0.168 19945 17503 1 18 . 1 1 90 90 ASP N N 90 123.090 123.090 118.375 4.715 19945 17504 1 18 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.918 0.881 19945 17505 1 18 . 1 1 90 90 ASP C C 90 176.095 176.095 174.933 1.162 19945 17506 1 18 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.557 -1.004 19945 17507 1 18 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.675 -0.420 19945 17508 1 18 . 1 1 90 90 ASP H H 90 8.698 8.698 8.587 0.111 19945 17509 1 18 . 1 1 91 91 GLN N N 91 123.780 123.780 122.567 1.213 19945 17510 1 18 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.206 -0.510 19945 17511 1 18 . 1 1 91 91 GLN C C 91 173.639 173.639 175.668 -2.029 19945 17512 1 18 . 1 1 91 91 GLN CA C 91 57.060 57.060 54.701 2.359 19945 17513 1 18 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.807 0.634 19945 17514 1 18 . 1 1 91 91 GLN H H 91 9.675 9.675 8.531 1.144 19945 17515 1 18 . 1 1 92 92 GLU N N 92 118.631 118.631 119.339 -0.708 19945 17516 1 18 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.323 0.268 19945 17517 1 18 . 1 1 92 92 GLU C C 92 177.247 177.247 176.499 0.748 19945 17518 1 18 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.912 -0.576 19945 17519 1 18 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.810 -0.040 19945 17520 1 18 . 1 1 92 92 GLU H H 92 8.396 8.396 8.265 0.131 19945 17521 1 18 . 1 1 93 93 ASP N N 93 120.889 120.889 118.045 2.844 19945 17522 1 18 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.661 -0.379 19945 17523 1 18 . 1 1 93 93 ASP C C 93 175.986 175.986 177.106 -1.120 19945 17524 1 18 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.848 0.577 19945 17525 1 18 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.631 -2.381 19945 17526 1 18 . 1 1 93 93 ASP H H 93 7.779 7.779 8.690 -0.911 19945 17527 1 18 . 1 1 94 94 TYR N N 94 117.028 117.028 119.988 -2.960 19945 17528 1 18 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.787 -0.102 19945 17529 1 18 . 1 1 94 94 TYR C C 94 175.519 175.519 177.072 -1.553 19945 17530 1 18 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.841 -1.462 19945 17531 1 18 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.638 -0.796 19945 17532 1 18 . 1 1 94 94 TYR H H 94 6.693 6.693 8.566 -1.873 19945 17533 1 18 . 1 1 95 95 ALA N N 95 121.950 121.950 122.975 -1.025 19945 17534 1 18 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.103 0.053 19945 17535 1 18 . 1 1 95 95 ALA C C 95 179.723 179.723 178.094 1.629 19945 17536 1 18 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.700 1.223 19945 17537 1 18 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.542 2.013 19945 17538 1 18 . 1 1 95 95 ALA H H 95 6.962 6.962 8.427 -1.465 19945 17539 1 18 . 1 1 96 96 GLU N N 96 115.884 115.884 115.743 0.141 19945 17540 1 18 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.586 -0.280 19945 17541 1 18 . 1 1 96 96 GLU C C 96 174.684 174.684 175.969 -1.285 19945 17542 1 18 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.456 0.529 19945 17543 1 18 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.384 -0.208 19945 17544 1 18 . 1 1 96 96 GLU H H 96 9.327 9.327 8.729 0.598 19945 17545 1 18 . 1 1 97 97 TYR N N 97 121.836 121.836 117.381 4.455 19945 17546 1 18 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.864 0.545 19945 17547 1 18 . 1 1 97 97 TYR C C 97 179.953 179.953 174.478 5.475 19945 17548 1 18 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.296 0.146 19945 17549 1 18 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.994 2.298 19945 17550 1 18 . 1 1 97 97 TYR H H 97 8.175 8.175 8.289 -0.114 19945 17551 1 18 . 1 1 98 98 PHE N N 98 124.580 124.580 124.270 0.310 19945 17552 1 18 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.568 0.569 19945 17553 1 18 . 1 1 98 98 PHE C C 98 174.742 174.742 175.932 -1.190 19945 17554 1 18 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.155 -0.492 19945 17555 1 18 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.295 -0.641 19945 17556 1 18 . 1 1 98 98 PHE H H 98 7.889 7.889 7.896 -0.007 19945 17557 1 18 . 1 1 99 99 CYS N N 99 120.329 120.329 123.567 -3.238 19945 17558 1 18 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.700 -0.048 19945 17559 1 18 . 1 1 99 99 CYS C C 99 175.087 175.087 175.488 -0.401 19945 17560 1 18 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.225 2.651 19945 17561 1 18 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.151 -1.151 19945 17562 1 18 . 1 1 99 99 CYS H H 99 8.617 8.617 8.825 -0.208 19945 17563 1 18 . 1 1 100 100 ASP N N 100 116.705 116.705 121.904 -5.199 19945 17564 1 18 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.235 -0.290 19945 17565 1 18 . 1 1 100 100 ASP C C 100 178.888 178.888 176.946 1.942 19945 17566 1 18 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.339 0.789 19945 17567 1 18 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.294 0.656 19945 17568 1 18 . 1 1 100 100 ASP H H 100 7.104 7.104 8.094 -0.990 19945 17569 1 18 . 1 1 101 101 ALA N N 101 118.631 118.631 120.695 -2.064 19945 17570 1 18 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.311 -0.160 19945 17571 1 18 . 1 1 101 101 ALA C C 101 178.600 178.600 178.843 -0.243 19945 17572 1 18 . 1 1 101 101 ALA CA C 101 54.397 54.397 53.760 0.637 19945 17573 1 18 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.782 0.028 19945 17574 1 18 . 1 1 101 101 ALA H H 101 8.716 8.716 7.596 1.120 19945 17575 1 18 . 1 1 102 102 LEU N N 102 115.083 115.083 118.884 -3.801 19945 17576 1 18 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.999 -0.385 19945 17577 1 18 . 1 1 102 102 LEU C C 102 179.573 179.573 178.778 0.795 19945 17578 1 18 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.074 0.770 19945 17579 1 18 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.835 0.879 19945 17580 1 18 . 1 1 102 102 LEU H H 102 7.171 7.171 7.739 -0.568 19945 17581 1 18 . 1 1 103 103 GLY N N 103 104.501 104.501 103.933 0.568 19945 17582 1 18 . 1 1 103 103 GLY C C 103 175.145 175.145 175.121 0.024 19945 17583 1 18 . 1 1 103 103 GLY CA C 103 46.708 46.708 46.899 -0.191 19945 17584 1 18 . 1 1 103 103 GLY H H 103 7.365 7.365 7.841 -0.476 19945 17585 1 18 . 1 1 104 104 THR N N 104 118.860 118.860 118.504 0.356 19945 17586 1 18 . 1 1 104 104 THR HA H 104 3.737 3.737 3.889 -0.152 19945 17587 1 18 . 1 1 104 104 THR C C 104 176.354 176.354 176.070 0.284 19945 17588 1 18 . 1 1 104 104 THR CA C 104 65.799 65.799 65.809 -0.010 19945 17589 1 18 . 1 1 104 104 THR CB C 104 67.961 67.961 68.699 -0.738 19945 17590 1 18 . 1 1 104 104 THR H H 104 7.343 7.343 7.530 -0.187 19945 17591 1 18 . 1 1 105 105 ILE N N 105 118.663 118.663 120.742 -2.079 19945 17592 1 18 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.632 -0.128 19945 17593 1 18 . 1 1 105 105 ILE C C 105 177.391 177.391 176.985 0.406 19945 17594 1 18 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.482 1.068 19945 17595 1 18 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.573 0.177 19945 17596 1 18 . 1 1 105 105 ILE H H 105 7.589 7.589 7.316 0.273 19945 17597 1 18 . 1 1 106 106 ARG N N 106 126.041 126.041 120.697 5.344 19945 17598 1 18 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.823 -0.243 19945 17599 1 18 . 1 1 106 106 ARG C C 106 176.614 176.614 178.011 -1.397 19945 17600 1 18 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.056 0.211 19945 17601 1 18 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.896 -2.580 19945 17602 1 18 . 1 1 106 106 ARG H H 106 7.307 7.307 7.787 -0.480 19945 17603 1 18 . 1 1 107 107 ASP N N 107 117.480 117.480 117.060 0.420 19945 17604 1 18 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.470 -0.122 19945 17605 1 18 . 1 1 107 107 ASP C C 107 177.189 177.189 177.851 -0.662 19945 17606 1 18 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.941 -0.441 19945 17607 1 18 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.738 -1.064 19945 17608 1 18 . 1 1 107 107 ASP H H 107 8.202 8.202 7.993 0.209 19945 17609 1 18 . 1 1 108 108 ILE N N 108 117.715 117.715 118.131 -0.416 19945 17610 1 18 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.994 -0.138 19945 17611 1 18 . 1 1 108 108 ILE C C 108 178.427 178.427 177.748 0.679 19945 17612 1 18 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.564 0.413 19945 17613 1 18 . 1 1 108 108 ILE CB C 108 39.451 39.451 39.080 0.371 19945 17614 1 18 . 1 1 108 108 ILE H H 108 7.107 7.107 7.430 -0.323 19945 17615 1 18 . 1 1 109 109 ILE N N 109 111.534 111.534 118.358 -6.824 19945 17616 1 18 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.907 -0.172 19945 17617 1 18 . 1 1 109 109 ILE C C 109 177.305 177.305 177.185 0.120 19945 17618 1 18 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.392 0.213 19945 17619 1 18 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.730 -0.319 19945 17620 1 18 . 1 1 109 109 ILE H H 109 7.501 7.501 8.371 -0.870 19945 17621 1 18 . 1 1 110 110 GLU N N 110 127.123 127.123 122.908 4.215 19945 17622 1 18 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.270 0.028 19945 17623 1 18 . 1 1 110 110 GLU C C 110 177.391 177.391 177.147 0.244 19945 17624 1 18 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.437 1.894 19945 17625 1 18 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.491 -0.643 19945 17626 1 18 . 1 1 110 110 GLU H H 110 8.867 8.867 8.660 0.207 19945 17627 1 18 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.342 0.274 19945 17628 1 18 . 1 1 111 111 PRO C C 111 177.417 177.417 177.953 -0.536 19945 17629 1 18 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.882 0.353 19945 17630 1 18 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.206 -0.171 19945 17631 1 18 . 1 1 112 112 ARG N N 112 114.612 114.612 116.525 -1.913 19945 17632 1 18 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.440 0.128 19945 17633 1 18 . 1 1 112 112 ARG C C 112 175.792 175.792 176.754 -0.962 19945 17634 1 18 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.103 0.638 19945 17635 1 18 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.682 0.822 19945 17636 1 18 . 1 1 112 112 ARG H H 112 6.542 6.542 7.641 -1.099 19945 17637 1 18 . 1 1 113 113 GLY N N 113 106.474 106.474 106.598 -0.124 19945 17638 1 18 . 1 1 113 113 GLY C C 113 174.347 174.347 173.892 0.455 19945 17639 1 18 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.210 0.430 19945 17640 1 18 . 1 1 113 113 GLY H H 113 7.845 7.845 8.251 -0.406 19945 17641 1 18 . 1 1 114 114 ALA N N 114 122.280 122.280 123.491 -1.211 19945 17642 1 18 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.729 -0.450 19945 17643 1 18 . 1 1 114 114 ALA C C 114 176.785 176.785 177.256 -0.471 19945 17644 1 18 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.411 0.980 19945 17645 1 18 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.527 0.085 19945 17646 1 18 . 1 1 114 114 ALA H H 114 7.535 7.535 7.963 -0.428 19945 17647 1 18 . 1 1 115 115 THR N N 115 120.909 120.909 119.847 1.062 19945 17648 1 18 . 1 1 115 115 THR HA H 115 4.478 4.478 4.602 -0.124 19945 17649 1 18 . 1 1 115 115 THR C C 115 172.963 172.963 173.450 -0.487 19945 17650 1 18 . 1 1 115 115 THR CA C 115 62.825 62.825 63.360 -0.535 19945 17651 1 18 . 1 1 115 115 THR CB C 115 69.501 69.501 69.412 0.089 19945 17652 1 18 . 1 1 115 115 THR H H 115 7.902 7.902 8.652 -0.750 19945 17653 1 18 . 1 1 116 116 ILE N N 116 129.162 129.162 128.066 1.096 19945 17654 1 18 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.223 0.074 19945 17655 1 18 . 1 1 116 116 ILE C C 116 177.056 177.056 175.610 1.446 19945 17656 1 18 . 1 1 116 116 ILE CA C 116 60.523 60.523 59.923 0.600 19945 17657 1 18 . 1 1 116 116 ILE CB C 116 38.300 38.300 40.031 -1.731 19945 17658 1 18 . 1 1 116 116 ILE H H 116 8.784 8.784 8.617 0.167 19945 17659 1 18 . 1 1 117 117 VAL N N 117 122.981 122.981 121.591 1.390 19945 17660 1 18 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.755 -0.161 19945 17661 1 18 . 1 1 117 117 VAL C C 117 175.190 175.190 176.044 -0.854 19945 17662 1 18 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.266 -0.336 19945 17663 1 18 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.513 -2.148 19945 17664 1 18 . 1 1 117 117 VAL H H 117 8.812 8.812 8.859 -0.047 19945 17665 1 18 . 1 1 118 118 GLY N N 118 108.558 108.558 108.932 -0.374 19945 17666 1 18 . 1 1 118 118 GLY C C 118 175.792 175.792 174.628 1.164 19945 17667 1 18 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.426 2.320 19945 17668 1 18 . 1 1 118 118 GLY H H 118 9.297 9.297 8.813 0.484 19945 17669 1 18 . 1 1 119 119 HIS N N 119 118.402 118.402 116.943 1.459 19945 17670 1 18 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.741 0.031 19945 17671 1 18 . 1 1 119 119 HIS C C 119 175.866 175.866 173.968 1.898 19945 17672 1 18 . 1 1 119 119 HIS CA C 119 55.602 55.602 55.383 0.219 19945 17673 1 18 . 1 1 119 119 HIS CB C 119 28.856 28.856 30.019 -1.163 19945 17674 1 18 . 1 1 119 119 HIS H H 119 8.901 8.901 8.180 0.721 19945 17675 1 18 . 1 1 120 120 TRP N N 120 124.300 124.300 123.460 0.840 19945 17676 1 18 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.229 1.064 19945 17677 1 18 . 1 1 120 120 TRP C C 120 173.113 173.113 173.827 -0.714 19945 17678 1 18 . 1 1 120 120 TRP CA C 120 53.504 53.504 54.079 -0.575 19945 17679 1 18 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.806 2.479 19945 17680 1 18 . 1 1 120 120 TRP H H 120 8.455 8.455 8.914 -0.459 19945 17681 1 18 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.331 0.266 19945 17682 1 18 . 1 1 121 121 PRO C C 121 176.243 176.243 177.054 -0.811 19945 17683 1 18 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.569 0.881 19945 17684 1 18 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.525 -0.428 19945 17685 1 18 . 1 1 122 122 THR N N 122 110.568 110.568 111.753 -1.185 19945 17686 1 18 . 1 1 122 122 THR HA H 122 4.232 4.232 4.279 -0.047 19945 17687 1 18 . 1 1 122 122 THR C C 122 176.424 176.424 175.567 0.857 19945 17688 1 18 . 1 1 122 122 THR CA C 122 62.079 62.079 63.168 -1.089 19945 17689 1 18 . 1 1 122 122 THR CB C 122 68.758 68.758 69.144 -0.386 19945 17690 1 18 . 1 1 122 122 THR H H 122 7.560 7.560 8.546 -0.986 19945 17691 1 18 . 1 1 123 123 ALA N N 123 126.038 126.038 123.631 2.407 19945 17692 1 18 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.953 0.316 19945 17693 1 18 . 1 1 123 123 ALA C C 123 178.862 178.862 177.639 1.223 19945 17694 1 18 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.648 1.234 19945 17695 1 18 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.265 1.019 19945 17696 1 18 . 1 1 123 123 ALA H H 123 7.144 7.144 8.145 -1.001 19945 17697 1 18 . 1 1 124 124 GLY N N 124 111.468 111.468 106.562 4.906 19945 17698 1 18 . 1 1 124 124 GLY C C 124 173.775 173.775 174.542 -0.767 19945 17699 1 18 . 1 1 124 124 GLY CA C 124 45.381 45.381 45.090 0.291 19945 17700 1 18 . 1 1 124 124 GLY H H 124 9.058 9.058 7.961 1.097 19945 17701 1 18 . 1 1 125 125 TYR N N 125 119.088 119.088 118.211 0.877 19945 17702 1 18 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.377 0.565 19945 17703 1 18 . 1 1 125 125 TYR C C 125 175.581 175.581 175.321 0.260 19945 17704 1 18 . 1 1 125 125 TYR CA C 125 56.762 56.762 56.882 -0.120 19945 17705 1 18 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.081 1.469 19945 17706 1 18 . 1 1 125 125 TYR H H 125 8.008 8.008 8.124 -0.116 19945 17707 1 18 . 1 1 126 126 HIS N N 126 121.799 121.799 119.284 2.515 19945 17708 1 18 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.280 0.733 19945 17709 1 18 . 1 1 126 126 HIS C C 126 171.969 171.969 173.579 -1.610 19945 17710 1 18 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.954 -0.807 19945 17711 1 18 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.956 -1.569 19945 17712 1 18 . 1 1 126 126 HIS H H 126 9.512 9.512 8.197 1.315 19945 17713 1 18 . 1 1 127 127 PHE N N 127 117.258 117.258 120.042 -2.784 19945 17714 1 18 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.277 0.646 19945 17715 1 18 . 1 1 127 127 PHE C C 127 172.722 172.722 176.893 -4.171 19945 17716 1 18 . 1 1 127 127 PHE CA C 127 55.300 55.300 57.281 -1.981 19945 17717 1 18 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.801 -0.047 19945 17718 1 18 . 1 1 127 127 PHE H H 127 7.397 7.397 7.438 -0.041 19945 17719 1 18 . 1 1 128 128 GLU N N 128 120.484 120.484 120.600 -0.116 19945 17720 1 18 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.082 0.281 19945 17721 1 18 . 1 1 128 128 GLU C C 128 176.033 176.033 176.191 -0.158 19945 17722 1 18 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.633 -1.565 19945 17723 1 18 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.187 1.645 19945 17724 1 18 . 1 1 128 128 GLU H H 128 8.492 8.492 8.868 -0.376 19945 17725 1 18 . 1 1 129 129 ALA N N 129 123.500 123.500 121.191 2.309 19945 17726 1 18 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.806 -0.108 19945 17727 1 18 . 1 1 129 129 ALA C C 129 174.016 174.016 175.614 -1.598 19945 17728 1 18 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.807 0.647 19945 17729 1 18 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.602 0.401 19945 17730 1 18 . 1 1 129 129 ALA H H 129 9.155 9.155 8.196 0.959 19945 17731 1 18 . 1 1 130 130 SER N N 130 110.807 110.807 121.029 -10.222 19945 17732 1 18 . 1 1 130 130 SER HA H 130 4.942 4.942 4.836 0.106 19945 17733 1 18 . 1 1 130 130 SER C C 130 176.665 176.665 175.150 1.515 19945 17734 1 18 . 1 1 130 130 SER CA C 130 57.471 57.471 58.719 -1.248 19945 17735 1 18 . 1 1 130 130 SER CB C 130 67.205 67.205 63.598 3.607 19945 17736 1 18 . 1 1 130 130 SER H H 130 8.101 8.101 8.755 -0.654 19945 17737 1 18 . 1 1 131 131 LYS N N 131 129.963 129.963 125.856 4.107 19945 17738 1 18 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.565 -0.116 19945 17739 1 18 . 1 1 131 131 LYS C C 131 176.533 176.533 177.591 -1.058 19945 17740 1 18 . 1 1 131 131 LYS CA C 131 56.900 56.900 55.813 1.087 19945 17741 1 18 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.956 -0.327 19945 17742 1 18 . 1 1 131 131 LYS H H 131 9.690 9.690 8.477 1.213 19945 17743 1 18 . 1 1 132 132 GLY N N 132 107.870 107.870 107.589 0.281 19945 17744 1 18 . 1 1 132 132 GLY C C 132 173.354 173.354 173.863 -0.509 19945 17745 1 18 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.136 0.510 19945 17746 1 18 . 1 1 132 132 GLY H H 132 9.187 9.187 7.734 1.453 19945 17747 1 18 . 1 1 133 133 LEU N N 133 119.088 119.088 118.955 0.133 19945 17748 1 18 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.261 0.382 19945 17749 1 18 . 1 1 133 133 LEU C C 133 177.748 177.748 176.743 1.005 19945 17750 1 18 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.843 -0.367 19945 17751 1 18 . 1 1 133 133 LEU CB C 133 40.504 40.504 42.205 -1.701 19945 17752 1 18 . 1 1 133 133 LEU H H 133 7.098 7.098 7.473 -0.375 19945 17753 1 18 . 1 1 134 134 ALA N N 134 125.720 125.720 126.583 -0.863 19945 17754 1 18 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.523 -0.286 19945 17755 1 18 . 1 1 134 134 ALA C C 134 176.695 176.695 176.955 -0.260 19945 17756 1 18 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.299 -0.011 19945 17757 1 18 . 1 1 134 134 ALA CB C 134 19.612 19.612 21.147 -1.535 19945 17758 1 18 . 1 1 134 134 ALA H H 134 9.154 9.154 8.904 0.250 19945 17759 1 18 . 1 1 135 135 ASP N N 135 114.952 114.952 117.321 -2.369 19945 17760 1 18 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.833 -0.304 19945 17761 1 18 . 1 1 135 135 ASP C C 135 175.130 175.130 175.389 -0.259 19945 17762 1 18 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.246 -0.286 19945 17763 1 18 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.740 -3.212 19945 17764 1 18 . 1 1 135 135 ASP H H 135 8.299 8.299 7.854 0.446 19945 17765 1 18 . 1 1 136 136 ASP N N 136 114.870 114.870 121.318 -6.448 19945 17766 1 18 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.406 -0.071 19945 17767 1 18 . 1 1 136 136 ASP C C 136 176.303 176.303 176.412 -0.109 19945 17768 1 18 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.526 1.318 19945 17769 1 18 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.989 -0.125 19945 17770 1 18 . 1 1 136 136 ASP H H 136 8.433 8.433 8.753 -0.320 19945 17771 1 18 . 1 1 137 137 ASP N N 137 113.709 113.709 115.428 -1.719 19945 17772 1 18 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.687 0.144 19945 17773 1 18 . 1 1 137 137 ASP C C 137 176.514 176.514 175.270 1.244 19945 17774 1 18 . 1 1 137 137 ASP CA C 137 53.317 53.317 54.132 -0.815 19945 17775 1 18 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.316 0.142 19945 17776 1 18 . 1 1 137 137 ASP H H 137 8.232 8.232 8.223 0.009 19945 17777 1 18 . 1 1 138 138 HIS N N 138 117.829 117.829 118.492 -0.663 19945 17778 1 18 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.054 0.228 19945 17779 1 18 . 1 1 138 138 HIS C C 138 175.130 175.130 173.912 1.218 19945 17780 1 18 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.213 1.386 19945 17781 1 18 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.878 -0.878 19945 17782 1 18 . 1 1 138 138 HIS H H 138 7.764 7.764 7.866 -0.102 19945 17783 1 18 . 1 1 139 139 PHE N N 139 123.553 123.553 121.898 1.655 19945 17784 1 18 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.687 0.332 19945 17785 1 18 . 1 1 139 139 PHE C C 139 177.477 177.477 177.117 0.360 19945 17786 1 18 . 1 1 139 139 PHE CA C 139 58.559 58.559 59.031 -0.472 19945 17787 1 18 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.714 3.158 19945 17788 1 18 . 1 1 139 139 PHE H H 139 9.955 9.955 9.708 0.247 19945 17789 1 18 . 1 1 140 140 VAL N N 140 119.420 119.420 121.168 -1.748 19945 17790 1 18 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.074 -0.397 19945 17791 1 18 . 1 1 140 140 VAL C C 140 173.023 173.023 175.261 -2.238 19945 17792 1 18 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.296 -1.179 19945 17793 1 18 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.252 0.284 19945 17794 1 18 . 1 1 140 140 VAL H H 140 9.178 9.178 8.929 0.249 19945 17795 1 18 . 1 1 141 141 GLY N N 141 105.680 105.680 103.911 1.769 19945 17796 1 18 . 1 1 141 141 GLY C C 141 171.284 171.284 172.398 -1.114 19945 17797 1 18 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.941 0.780 19945 17798 1 18 . 1 1 141 141 GLY H H 141 6.837 6.837 7.479 -0.642 19945 17799 1 18 . 1 1 142 142 LEU N N 142 118.516 118.516 121.701 -3.185 19945 17800 1 18 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.814 -0.767 19945 17801 1 18 . 1 1 142 142 LEU C C 142 173.725 173.725 174.842 -1.117 19945 17802 1 18 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.222 1.482 19945 17803 1 18 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.641 -1.902 19945 17804 1 18 . 1 1 142 142 LEU H H 142 7.423 7.423 7.552 -0.129 19945 17805 1 18 . 1 1 143 143 ALA N N 143 128.382 128.382 130.338 -1.956 19945 17806 1 18 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.527 -0.053 19945 17807 1 18 . 1 1 143 143 ALA C C 143 175.685 175.685 175.546 0.139 19945 17808 1 18 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.377 -0.746 19945 17809 1 18 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.523 0.324 19945 17810 1 18 . 1 1 143 143 ALA H H 143 5.414 5.414 7.915 -2.501 19945 17811 1 18 . 1 1 144 144 ILE N N 144 126.754 126.754 123.121 3.633 19945 17812 1 18 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.432 -0.117 19945 17813 1 18 . 1 1 144 144 ILE C C 144 173.725 173.725 173.648 0.077 19945 17814 1 18 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.200 -3.479 19945 17815 1 18 . 1 1 144 144 ILE CB C 144 37.630 37.630 41.485 -3.855 19945 17816 1 18 . 1 1 144 144 ILE H H 144 8.849 8.849 8.178 0.671 19945 17817 1 18 . 1 1 145 145 ASP N N 145 125.518 125.518 127.403 -1.885 19945 17818 1 18 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.715 1.081 19945 17819 1 18 . 1 1 145 145 ASP C C 145 176.830 176.830 173.933 2.897 19945 17820 1 18 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.294 -1.741 19945 17821 1 18 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.682 -0.180 19945 17822 1 18 . 1 1 145 145 ASP H H 145 8.088 8.088 8.500 -0.412 19945 17823 1 18 . 1 1 146 146 GLU N N 146 125.475 125.475 121.784 3.691 19945 17824 1 18 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.582 0.081 19945 17825 1 18 . 1 1 146 146 GLU C C 146 177.132 177.132 175.204 1.928 19945 17826 1 18 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.811 -0.538 19945 17827 1 18 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.295 -0.045 19945 17828 1 18 . 1 1 146 146 GLU H H 146 8.390 8.390 8.239 0.151 19945 17829 1 18 . 1 1 147 147 ASP N N 147 120.137 120.137 119.466 0.671 19945 17830 1 18 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.631 -0.064 19945 17831 1 18 . 1 1 147 147 ASP C C 147 178.126 178.126 175.059 3.067 19945 17832 1 18 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.386 3.615 19945 17833 1 18 . 1 1 147 147 ASP CB C 147 43.250 43.250 41.424 1.826 19945 17834 1 18 . 1 1 147 147 ASP H H 147 8.599 8.599 7.730 0.869 19945 17835 1 18 . 1 1 148 148 ARG N N 148 115.655 115.655 125.030 -9.375 19945 17836 1 18 . 1 1 148 148 ARG HA H 148 4.698 4.698 3.912 0.786 19945 17837 1 18 . 1 1 148 148 ARG C C 148 177.704 177.704 175.086 2.618 19945 17838 1 18 . 1 1 148 148 ARG CA C 148 52.960 52.960 57.026 -4.066 19945 17839 1 18 . 1 1 148 148 ARG CB C 148 30.814 30.814 28.909 1.905 19945 17840 1 18 . 1 1 148 148 ARG H H 148 9.762 9.762 8.794 0.968 19945 17841 1 18 . 1 1 149 149 GLN N N 149 116.313 116.313 115.722 0.591 19945 17842 1 18 . 1 1 149 149 GLN HA H 149 5.299 5.299 3.989 1.310 19945 17843 1 18 . 1 1 149 149 GLN C C 149 175.142 175.142 173.695 1.447 19945 17844 1 18 . 1 1 149 149 GLN CA C 149 53.401 53.401 55.897 -2.496 19945 17845 1 18 . 1 1 149 149 GLN CB C 149 30.841 30.841 27.933 2.908 19945 17846 1 18 . 1 1 149 149 GLN H H 149 7.622 7.622 8.482 -0.860 19945 17847 1 18 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.518 0.163 19945 17848 1 18 . 1 1 150 150 PRO C C 150 179.483 179.483 175.853 3.630 19945 17849 1 18 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.744 2.582 19945 17850 1 18 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.034 -1.382 19945 17851 1 18 . 1 1 151 151 GLU N N 151 122.981 122.981 118.751 4.230 19945 17852 1 18 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.368 0.033 19945 17853 1 18 . 1 1 151 151 GLU C C 151 177.041 177.041 176.261 0.780 19945 17854 1 18 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.399 1.999 19945 17855 1 18 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.568 -2.986 19945 17856 1 18 . 1 1 151 151 GLU H H 151 10.520 10.520 8.389 2.131 19945 17857 1 18 . 1 1 152 152 LEU N N 152 120.119 120.119 121.041 -0.922 19945 17858 1 18 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.743 -0.052 19945 17859 1 18 . 1 1 152 152 LEU C C 152 177.222 177.222 176.900 0.322 19945 17860 1 18 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.171 0.138 19945 17861 1 18 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.105 0.830 19945 17862 1 18 . 1 1 152 152 LEU H H 152 7.589 7.589 8.310 -0.721 19945 17863 1 18 . 1 1 153 153 THR N N 153 119.637 119.637 117.103 2.534 19945 17864 1 18 . 1 1 153 153 THR HA H 153 3.592 3.592 3.871 -0.279 19945 17865 1 18 . 1 1 153 153 THR C C 153 174.178 174.178 176.037 -1.859 19945 17866 1 18 . 1 1 153 153 THR CA C 153 67.960 67.960 66.757 1.203 19945 17867 1 18 . 1 1 153 153 THR CB C 153 69.023 69.023 68.634 0.389 19945 17868 1 18 . 1 1 153 153 THR H H 153 7.469 7.469 7.952 -0.483 19945 17869 1 18 . 1 1 154 154 ALA N N 154 123.665 123.665 122.072 1.593 19945 17870 1 18 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.230 -0.342 19945 17871 1 18 . 1 1 154 154 ALA C C 154 180.417 180.417 179.314 1.103 19945 17872 1 18 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.527 2.011 19945 17873 1 18 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.328 -1.106 19945 17874 1 18 . 1 1 154 154 ALA H H 154 9.077 9.077 8.510 0.567 19945 17875 1 18 . 1 1 155 155 GLU N N 155 119.661 119.661 119.062 0.599 19945 17876 1 18 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.010 0.242 19945 17877 1 18 . 1 1 155 155 GLU C C 155 178.518 178.518 179.125 -0.607 19945 17878 1 18 . 1 1 155 155 GLU CA C 155 58.818 58.818 58.908 -0.090 19945 17879 1 18 . 1 1 155 155 GLU CB C 155 29.707 29.707 28.967 0.740 19945 17880 1 18 . 1 1 155 155 GLU H H 155 8.647 8.647 8.617 0.030 19945 17881 1 18 . 1 1 156 156 ARG N N 156 120.739 120.739 120.140 0.599 19945 17882 1 18 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.071 0.147 19945 17883 1 18 . 1 1 156 156 ARG C C 156 177.252 177.252 178.987 -1.735 19945 17884 1 18 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.176 1.292 19945 17885 1 18 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.196 0.827 19945 17886 1 18 . 1 1 156 156 ARG H H 156 8.129 8.129 8.157 -0.028 19945 17887 1 18 . 1 1 157 157 VAL N N 157 117.372 117.372 119.361 -1.989 19945 17888 1 18 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.570 -0.251 19945 17889 1 18 . 1 1 157 157 VAL C C 157 177.192 177.192 177.767 -0.575 19945 17890 1 18 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.429 0.971 19945 17891 1 18 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.215 0.618 19945 17892 1 18 . 1 1 157 157 VAL H H 157 8.578 8.578 8.057 0.521 19945 17893 1 18 . 1 1 158 158 GLU N N 158 118.631 118.631 121.647 -3.016 19945 17894 1 18 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.214 -0.017 19945 17895 1 18 . 1 1 158 158 GLU C C 158 179.995 179.995 179.269 0.726 19945 17896 1 18 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.627 0.111 19945 17897 1 18 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.489 -0.312 19945 17898 1 18 . 1 1 158 158 GLU H H 158 8.046 8.046 8.233 -0.187 19945 17899 1 18 . 1 1 159 159 LYS N N 159 118.860 118.860 118.563 0.297 19945 17900 1 18 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.203 -0.017 19945 17901 1 18 . 1 1 159 159 LYS C C 159 179.844 179.844 179.326 0.518 19945 17902 1 18 . 1 1 159 159 LYS CA C 159 59.995 59.995 58.587 1.408 19945 17903 1 18 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.099 1.593 19945 17904 1 18 . 1 1 159 159 LYS H H 159 8.522 8.522 8.322 0.200 19945 17905 1 18 . 1 1 160 160 TRP N N 160 125.100 125.100 121.776 3.324 19945 17906 1 18 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.450 -0.080 19945 17907 1 18 . 1 1 160 160 TRP C C 160 178.006 178.006 177.799 0.207 19945 17908 1 18 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.048 1.766 19945 17909 1 18 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.370 -0.578 19945 17910 1 18 . 1 1 160 160 TRP H H 160 9.076 9.076 7.910 1.166 19945 17911 1 18 . 1 1 161 161 VAL N N 161 118.402 118.402 118.851 -0.449 19945 17912 1 18 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.081 0.289 19945 17913 1 18 . 1 1 161 161 VAL C C 161 179.392 179.392 178.368 1.024 19945 17914 1 18 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.353 0.650 19945 17915 1 18 . 1 1 161 161 VAL CB C 161 30.350 30.350 30.977 -0.627 19945 17916 1 18 . 1 1 161 161 VAL H H 161 9.024 9.024 8.575 0.449 19945 17917 1 18 . 1 1 162 162 LYS N N 162 123.209 123.209 119.380 3.829 19945 17918 1 18 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.887 0.115 19945 17919 1 18 . 1 1 162 162 LYS C C 162 178.759 178.759 179.009 -0.250 19945 17920 1 18 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.883 0.489 19945 17921 1 18 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.012 0.352 19945 17922 1 18 . 1 1 162 162 LYS H H 162 7.820 7.820 8.220 -0.400 19945 17923 1 18 . 1 1 163 163 GLN N N 163 121.722 121.722 117.795 3.927 19945 17924 1 18 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.054 0.136 19945 17925 1 18 . 1 1 163 163 GLN C C 163 179.935 179.935 178.448 1.487 19945 17926 1 18 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.169 1.557 19945 17927 1 18 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.760 0.262 19945 17928 1 18 . 1 1 163 163 GLN H H 163 8.126 8.126 7.516 0.610 19945 17929 1 18 . 1 1 164 164 ILE N N 164 114.390 114.390 117.656 -3.266 19945 17930 1 18 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.505 0.485 19945 17931 1 18 . 1 1 164 164 ILE C C 164 178.156 178.156 177.617 0.539 19945 17932 1 18 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.602 0.574 19945 17933 1 18 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.014 0.665 19945 17934 1 18 . 1 1 164 164 ILE H H 164 9.110 9.110 7.685 1.425 19945 17935 1 18 . 1 1 165 165 SER N N 165 119.660 119.660 116.973 2.687 19945 17936 1 18 . 1 1 165 165 SER HA H 165 3.976 3.976 4.013 -0.037 19945 17937 1 18 . 1 1 165 165 SER C C 165 176.438 176.438 176.732 -0.294 19945 17938 1 18 . 1 1 165 165 SER CA C 165 63.180 63.180 62.778 0.402 19945 17939 1 18 . 1 1 165 165 SER CB C 165 62.383 62.383 62.463 -0.080 19945 17940 1 18 . 1 1 165 165 SER H H 165 8.278 8.278 8.392 -0.114 19945 17941 1 18 . 1 1 166 166 GLU N N 166 122.290 122.290 121.162 1.128 19945 17942 1 18 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.126 0.084 19945 17943 1 18 . 1 1 166 166 GLU C C 166 179.965 179.965 179.387 0.578 19945 17944 1 18 . 1 1 166 166 GLU CA C 166 59.195 59.195 59.054 0.140 19945 17945 1 18 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.572 -0.328 19945 17946 1 18 . 1 1 166 166 GLU H H 166 7.345 7.345 7.642 -0.297 19945 17947 1 18 . 1 1 167 167 GLU N N 167 120.787 120.787 119.828 0.959 19945 17948 1 18 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.991 -0.052 19945 17949 1 18 . 1 1 167 167 GLU C C 167 178.518 178.518 178.247 0.271 19945 17950 1 18 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.699 1.302 19945 17951 1 18 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.601 1.199 19945 17952 1 18 . 1 1 167 167 GLU H H 167 8.413 8.413 7.754 0.659 19945 17953 1 18 . 1 1 168 168 LEU N N 168 115.420 115.420 116.275 -0.855 19945 17954 1 18 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.260 -0.123 19945 17955 1 18 . 1 1 168 168 LEU C C 168 175.896 175.896 175.910 -0.014 19945 17956 1 18 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.560 0.220 19945 17957 1 18 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.166 1.134 19945 17958 1 18 . 1 1 168 168 LEU H H 168 8.553 8.553 7.886 0.667 19945 17959 1 18 . 1 1 169 169 HIS N N 169 113.347 113.347 112.368 0.979 19945 17960 1 18 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.193 0.158 19945 17961 1 18 . 1 1 169 169 HIS C C 169 175.835 175.835 176.388 -0.553 19945 17962 1 18 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.415 -1.142 19945 17963 1 18 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.661 -0.939 19945 17964 1 18 . 1 1 169 169 HIS H H 169 7.550 7.550 7.339 0.211 19945 17965 1 18 . 1 1 170 170 LEU N N 170 117.250 117.250 118.787 -1.537 19945 17966 1 18 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.101 -0.098 19945 17967 1 18 . 1 1 170 170 LEU C C 170 178.096 178.096 177.784 0.312 19945 17968 1 18 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.570 1.398 19945 17969 1 18 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.161 0.697 19945 17970 1 18 . 1 1 170 170 LEU H H 170 8.069 8.069 7.928 0.141 19945 17971 1 18 . 1 1 171 171 ASP N N 171 117.300 117.300 120.382 -3.082 19945 17972 1 18 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.214 0.121 19945 17973 1 18 . 1 1 171 171 ASP C C 171 177.915 177.915 177.834 0.081 19945 17974 1 18 . 1 1 171 171 ASP CA C 171 56.690 56.690 57.938 -1.248 19945 17975 1 18 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.744 -0.684 19945 17976 1 18 . 1 1 171 171 ASP H H 171 8.732 8.732 8.580 0.152 19945 17977 1 18 . 1 1 172 172 GLU N N 172 119.203 119.203 116.661 2.542 19945 17978 1 18 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.190 0.037 19945 17979 1 18 . 1 1 172 172 GLU C C 172 178.277 178.277 177.416 0.861 19945 17980 1 18 . 1 1 172 172 GLU CA C 172 58.132 58.132 57.769 0.363 19945 17981 1 18 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.733 0.267 19945 17982 1 18 . 1 1 172 172 GLU H H 172 7.804 7.804 7.814 -0.010 19945 17983 1 18 . 1 1 173 173 ILE N N 173 119.519 119.519 117.639 1.880 19945 17984 1 18 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.098 -0.045 19945 17985 1 18 . 1 1 173 173 ILE C C 173 178.006 178.006 177.945 0.061 19945 17986 1 18 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.441 0.159 19945 17987 1 18 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.353 -0.353 19945 17988 1 18 . 1 1 173 173 ILE H H 173 7.787 7.787 7.661 0.126 19945 17989 1 18 . 1 1 174 174 LEU N N 174 121.260 121.260 117.797 3.463 19945 17990 1 18 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.308 -0.022 19945 17991 1 18 . 1 1 174 174 LEU C C 174 177.704 177.704 177.383 0.321 19945 17992 1 18 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.300 -1.027 19945 17993 1 18 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.462 -0.003 19945 17994 1 18 . 1 1 174 174 LEU H H 174 8.241 8.241 8.473 -0.232 19945 17995 1 18 . 1 1 175 175 ASN N N 175 118.280 118.280 117.780 0.500 19945 17996 1 18 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.820 0.009 19945 17997 1 18 . 1 1 175 175 ASN C C 175 173.846 173.846 174.732 -0.886 19945 17998 1 18 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.667 1.555 19945 17999 1 18 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.265 0.006 19945 18000 1 18 . 1 1 175 175 ASN H H 175 7.883 7.883 8.035 -0.152 19945 18001 1 19 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.542 -0.290 19945 18002 1 19 . 1 1 2 2 ALA C C 2 174.479 174.479 177.530 -3.051 19945 18003 1 19 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.650 0.818 19945 18004 1 19 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.497 -0.330 19945 18005 1 19 . 1 1 3 3 ILE N N 3 116.571 116.571 115.509 1.062 19945 18006 1 19 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.680 -0.135 19945 18007 1 19 . 1 1 3 3 ILE C C 3 175.806 175.806 175.798 0.008 19945 18008 1 19 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.466 1.729 19945 18009 1 19 . 1 1 3 3 ILE CB C 3 39.410 39.410 39.325 0.085 19945 18010 1 19 . 1 1 3 3 ILE H H 3 8.456 8.456 8.578 -0.122 19945 18011 1 19 . 1 1 4 4 THR N N 4 115.734 115.734 118.760 -3.026 19945 18012 1 19 . 1 1 4 4 THR HA H 4 5.124 5.124 5.122 0.002 19945 18013 1 19 . 1 1 4 4 THR C C 4 172.410 172.410 173.443 -1.033 19945 18014 1 19 . 1 1 4 4 THR CA C 4 61.724 61.724 61.403 0.321 19945 18015 1 19 . 1 1 4 4 THR CB C 4 70.059 70.059 70.530 -0.471 19945 18016 1 19 . 1 1 4 4 THR H H 4 8.244 8.244 8.155 0.089 19945 18017 1 19 . 1 1 5 5 GLY N N 5 116.016 116.016 113.181 2.835 19945 18018 1 19 . 1 1 5 5 GLY C C 5 171.077 171.077 172.542 -1.465 19945 18019 1 19 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.208 0.301 19945 18020 1 19 . 1 1 5 5 GLY H H 5 8.554 8.554 9.019 -0.465 19945 18021 1 19 . 1 1 6 6 ILE N N 6 126.504 126.504 126.842 -0.338 19945 18022 1 19 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.661 0.790 19945 18023 1 19 . 1 1 6 6 ILE C C 6 175.245 175.245 174.476 0.769 19945 18024 1 19 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.817 -0.899 19945 18025 1 19 . 1 1 6 6 ILE CB C 6 38.208 38.208 37.818 0.390 19945 18026 1 19 . 1 1 6 6 ILE H H 6 8.719 8.719 8.820 -0.101 19945 18027 1 19 . 1 1 7 7 PHE N N 7 127.559 127.559 126.656 0.903 19945 18028 1 19 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.385 0.228 19945 18029 1 19 . 1 1 7 7 PHE C C 7 174.634 174.634 175.189 -0.555 19945 18030 1 19 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.990 -1.327 19945 18031 1 19 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.297 1.391 19945 18032 1 19 . 1 1 7 7 PHE H H 7 9.609 9.609 9.521 0.088 19945 18033 1 19 . 1 1 8 8 PHE N N 8 120.006 120.006 122.903 -2.897 19945 18034 1 19 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.716 0.508 19945 18035 1 19 . 1 1 8 8 PHE C C 8 171.212 171.212 174.794 -3.582 19945 18036 1 19 . 1 1 8 8 PHE CA C 8 54.679 54.679 56.336 -1.657 19945 18037 1 19 . 1 1 8 8 PHE CB C 8 43.521 43.521 44.657 -1.136 19945 18038 1 19 . 1 1 8 8 PHE H H 8 8.545 8.545 9.127 -0.582 19945 18039 1 19 . 1 1 9 9 GLY N N 9 109.650 109.650 108.332 1.318 19945 18040 1 19 . 1 1 9 9 GLY C C 9 172.512 172.512 172.232 0.280 19945 18041 1 19 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.873 0.445 19945 18042 1 19 . 1 1 9 9 GLY H H 9 7.701 7.701 9.085 -1.384 19945 18043 1 19 . 1 1 10 10 SER N N 10 115.953 115.953 115.941 0.012 19945 18044 1 19 . 1 1 10 10 SER HA H 10 5.001 5.001 5.152 -0.151 19945 18045 1 19 . 1 1 10 10 SER C C 10 173.439 173.439 173.480 -0.041 19945 18046 1 19 . 1 1 10 10 SER CA C 10 58.308 58.308 57.978 0.329 19945 18047 1 19 . 1 1 10 10 SER CB C 10 66.423 66.423 67.200 -0.777 19945 18048 1 19 . 1 1 10 10 SER H H 10 8.634 8.634 8.285 0.349 19945 18049 1 19 . 1 1 11 11 ASP N N 11 104.000 104.000 121.485 -17.485 19945 18050 1 19 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.520 0.454 19945 18051 1 19 . 1 1 11 11 ASP C C 11 179.108 179.108 177.213 1.895 19945 18052 1 19 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.192 0.357 19945 18053 1 19 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.279 -1.179 19945 18054 1 19 . 1 1 11 11 ASP H H 11 11.201 11.201 9.014 2.187 19945 18055 1 19 . 1 1 12 12 THR N N 12 112.000 112.000 113.798 -1.798 19945 18056 1 19 . 1 1 12 12 THR HA H 12 4.804 4.804 4.413 0.391 19945 18057 1 19 . 1 1 12 12 THR C C 12 175.080 175.080 176.122 -1.042 19945 18058 1 19 . 1 1 12 12 THR CA C 12 60.237 60.237 62.932 -2.695 19945 18059 1 19 . 1 1 12 12 THR CB C 12 68.567 68.567 68.850 -0.283 19945 18060 1 19 . 1 1 12 12 THR H H 12 9.311 9.311 8.305 1.006 19945 18061 1 19 . 1 1 13 13 GLY N N 13 112.221 112.221 110.559 1.662 19945 18062 1 19 . 1 1 13 13 GLY C C 13 176.690 176.690 174.947 1.743 19945 18063 1 19 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.023 1.277 19945 18064 1 19 . 1 1 13 13 GLY H H 13 8.000 8.000 8.565 -0.565 19945 18065 1 19 . 1 1 14 14 ASN N N 14 128.520 128.520 118.482 10.038 19945 18066 1 19 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.554 0.072 19945 18067 1 19 . 1 1 14 14 ASN C C 14 178.888 178.888 176.886 2.002 19945 18068 1 19 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.441 1.623 19945 18069 1 19 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.337 -1.503 19945 18070 1 19 . 1 1 14 14 ASN H H 14 11.112 11.112 8.706 2.406 19945 18071 1 19 . 1 1 15 15 THR N N 15 122.550 122.550 114.743 7.807 19945 18072 1 19 . 1 1 15 15 THR HA H 15 4.369 4.369 4.150 0.219 19945 18073 1 19 . 1 1 15 15 THR C C 15 176.786 176.786 176.805 -0.019 19945 18074 1 19 . 1 1 15 15 THR CA C 15 67.325 67.325 66.082 1.243 19945 18075 1 19 . 1 1 15 15 THR CB C 15 67.961 67.961 68.226 -0.265 19945 18076 1 19 . 1 1 15 15 THR H H 15 11.327 11.327 8.187 3.140 19945 18077 1 19 . 1 1 16 16 GLU N N 16 120.578 120.578 121.705 -1.127 19945 18078 1 19 . 1 1 16 16 GLU HA H 16 2.287 2.287 3.989 -1.702 19945 18079 1 19 . 1 1 16 16 GLU C C 16 176.642 176.642 178.457 -1.815 19945 18080 1 19 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.331 -0.262 19945 18081 1 19 . 1 1 16 16 GLU CB C 16 28.377 28.377 29.144 -0.767 19945 18082 1 19 . 1 1 16 16 GLU H H 16 6.590 6.590 8.263 -1.673 19945 18083 1 19 . 1 1 17 17 ASN N N 17 118.000 118.000 117.198 0.802 19945 18084 1 19 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.499 -0.189 19945 18085 1 19 . 1 1 17 17 ASN C C 17 178.255 178.255 177.517 0.738 19945 18086 1 19 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.944 0.356 19945 18087 1 19 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.183 -0.545 19945 18088 1 19 . 1 1 17 17 ASN H H 17 7.705 7.705 7.672 0.033 19945 18089 1 19 . 1 1 18 18 ILE N N 18 119.430 119.430 119.850 -0.420 19945 18090 1 19 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.701 -0.049 19945 18091 1 19 . 1 1 18 18 ILE C C 18 177.564 177.564 177.335 0.229 19945 18092 1 19 . 1 1 18 18 ILE CA C 18 62.500 62.500 62.664 -0.164 19945 18093 1 19 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.395 -1.844 19945 18094 1 19 . 1 1 18 18 ILE H H 18 8.141 8.141 7.511 0.630 19945 18095 1 19 . 1 1 19 19 ALA N N 19 123.208 123.208 122.632 0.576 19945 18096 1 19 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.172 0.497 19945 18097 1 19 . 1 1 19 19 ALA C C 19 178.888 178.888 179.355 -0.467 19945 18098 1 19 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.075 0.580 19945 18099 1 19 . 1 1 19 19 ALA CB C 19 18.815 18.815 17.374 1.441 19945 18100 1 19 . 1 1 19 19 ALA H H 19 8.304 8.304 8.069 0.235 19945 18101 1 19 . 1 1 20 20 LYS N N 20 116.460 116.460 118.512 -2.052 19945 18102 1 19 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.911 -0.095 19945 18103 1 19 . 1 1 20 20 LYS C C 20 179.666 179.666 178.972 0.694 19945 18104 1 19 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.444 0.378 19945 18105 1 19 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.317 -0.219 19945 18106 1 19 . 1 1 20 20 LYS H H 20 7.722 7.722 7.676 0.046 19945 18107 1 19 . 1 1 21 21 MET N N 21 123.880 123.880 118.553 5.327 19945 18108 1 19 . 1 1 21 21 MET HA H 21 3.946 3.946 4.081 -0.135 19945 18109 1 19 . 1 1 21 21 MET C C 21 179.435 179.435 178.916 0.519 19945 18110 1 19 . 1 1 21 21 MET CA C 21 59.662 59.662 58.949 0.713 19945 18111 1 19 . 1 1 21 21 MET CB C 21 34.262 34.262 32.544 1.718 19945 18112 1 19 . 1 1 21 21 MET H H 21 8.336 8.336 7.674 0.662 19945 18113 1 19 . 1 1 22 22 ILE N N 22 122.065 122.065 120.890 1.175 19945 18114 1 19 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.562 -0.317 19945 18115 1 19 . 1 1 22 22 ILE C C 22 177.592 177.592 177.497 0.095 19945 18116 1 19 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.676 0.048 19945 18117 1 19 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.709 -0.032 19945 18118 1 19 . 1 1 22 22 ILE H H 22 8.500 8.500 8.484 0.016 19945 18119 1 19 . 1 1 23 23 GLN N N 23 119.264 119.264 119.909 -0.645 19945 18120 1 19 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.790 -0.346 19945 18121 1 19 . 1 1 23 23 GLN C C 23 177.017 177.017 178.218 -1.201 19945 18122 1 19 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.256 0.435 19945 18123 1 19 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.523 -0.676 19945 18124 1 19 . 1 1 23 23 GLN H H 23 7.985 7.985 8.179 -0.194 19945 18125 1 19 . 1 1 24 24 LYS N N 24 118.970 118.970 117.282 1.688 19945 18126 1 19 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.017 -0.097 19945 18127 1 19 . 1 1 24 24 LYS C C 24 178.427 178.427 179.213 -0.786 19945 18128 1 19 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.636 0.524 19945 18129 1 19 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.910 0.454 19945 18130 1 19 . 1 1 24 24 LYS H H 24 7.942 7.942 8.317 -0.375 19945 18131 1 19 . 1 1 25 25 GLN N N 25 118.400 118.400 117.454 0.946 19945 18132 1 19 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.121 -0.118 19945 18133 1 19 . 1 1 25 25 GLN C C 25 178.226 178.226 177.890 0.336 19945 18134 1 19 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.879 0.204 19945 18135 1 19 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.913 -0.003 19945 18136 1 19 . 1 1 25 25 GLN H H 25 7.636 7.636 7.549 0.087 19945 18137 1 19 . 1 1 26 26 LEU N N 26 119.080 119.080 116.967 2.113 19945 18138 1 19 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.276 -0.257 19945 18139 1 19 . 1 1 26 26 LEU C C 26 177.247 177.247 177.283 -0.036 19945 18140 1 19 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.707 1.362 19945 18141 1 19 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.466 0.683 19945 18142 1 19 . 1 1 26 26 LEU H H 26 8.098 8.098 7.763 0.335 19945 18143 1 19 . 1 1 27 27 GLY N N 27 107.750 107.750 105.237 2.513 19945 18144 1 19 . 1 1 27 27 GLY C C 27 175.231 175.231 174.814 0.417 19945 18145 1 19 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.446 -0.386 19945 18146 1 19 . 1 1 27 27 GLY H H 27 8.050 8.050 7.883 0.167 19945 18147 1 19 . 1 1 28 28 LYS N N 28 125.187 125.187 122.553 2.634 19945 18148 1 19 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.148 0.075 19945 18149 1 19 . 1 1 28 28 LYS C C 28 176.372 176.372 176.534 -0.162 19945 18150 1 19 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.090 0.839 19945 18151 1 19 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.469 -0.371 19945 18152 1 19 . 1 1 28 28 LYS H H 28 8.786 8.786 8.527 0.259 19945 18153 1 19 . 1 1 29 29 ASP N N 29 115.960 115.960 114.146 1.814 19945 18154 1 19 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.549 0.026 19945 18155 1 19 . 1 1 29 29 ASP C C 29 176.437 176.437 177.844 -1.407 19945 18156 1 19 . 1 1 29 29 ASP CA C 29 55.210 55.210 55.844 -0.634 19945 18157 1 19 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.817 -1.015 19945 18158 1 19 . 1 1 29 29 ASP H H 29 8.919 8.919 8.266 0.653 19945 18159 1 19 . 1 1 30 30 VAL N N 30 120.609 120.609 120.152 0.457 19945 18160 1 19 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.060 -0.004 19945 18161 1 19 . 1 1 30 30 VAL C C 30 174.656 174.656 174.779 -0.123 19945 18162 1 19 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.537 0.183 19945 18163 1 19 . 1 1 30 30 VAL CB C 30 32.838 32.838 33.421 -0.583 19945 18164 1 19 . 1 1 30 30 VAL H H 30 7.573 7.573 7.635 -0.062 19945 18165 1 19 . 1 1 31 31 ALA N N 31 123.100 123.100 119.076 4.024 19945 18166 1 19 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.215 0.316 19945 18167 1 19 . 1 1 31 31 ALA C C 31 175.174 175.174 174.763 0.411 19945 18168 1 19 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.229 -0.067 19945 18169 1 19 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.312 1.019 19945 18170 1 19 . 1 1 31 31 ALA H H 31 7.951 7.951 8.067 -0.116 19945 18171 1 19 . 1 1 32 32 ASP N N 32 121.576 121.576 120.476 1.100 19945 18172 1 19 . 1 1 32 32 ASP HA H 32 4.869 4.869 4.852 0.017 19945 18173 1 19 . 1 1 32 32 ASP C C 32 174.771 174.771 174.071 0.700 19945 18174 1 19 . 1 1 32 32 ASP CA C 32 52.412 52.412 51.773 0.639 19945 18175 1 19 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.135 -1.347 19945 18176 1 19 . 1 1 32 32 ASP H H 32 8.175 8.175 8.502 -0.327 19945 18177 1 19 . 1 1 33 33 VAL N N 33 120.428 120.428 122.064 -1.636 19945 18178 1 19 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.399 0.258 19945 18179 1 19 . 1 1 33 33 VAL C C 33 174.252 174.252 174.798 -0.546 19945 18180 1 19 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.505 -0.202 19945 18181 1 19 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.234 0.641 19945 18182 1 19 . 1 1 33 33 VAL H H 33 8.397 8.397 7.941 0.456 19945 18183 1 19 . 1 1 34 34 HIS N N 34 125.285 125.285 123.781 1.504 19945 18184 1 19 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.800 -0.247 19945 18185 1 19 . 1 1 34 34 HIS C C 34 171.920 171.920 173.014 -1.094 19945 18186 1 19 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.297 -0.726 19945 18187 1 19 . 1 1 34 34 HIS CB C 34 33.420 33.420 33.831 -0.411 19945 18188 1 19 . 1 1 34 34 HIS H H 34 8.945 8.945 8.904 0.041 19945 18189 1 19 . 1 1 35 35 ASP N N 35 124.120 124.120 121.936 2.184 19945 18190 1 19 . 1 1 35 35 ASP HA H 35 3.297 3.297 5.077 -1.780 19945 18191 1 19 . 1 1 35 35 ASP C C 35 179.780 179.780 177.349 2.431 19945 18192 1 19 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.578 -0.822 19945 18193 1 19 . 1 1 35 35 ASP CB C 35 41.396 41.396 41.719 -0.323 19945 18194 1 19 . 1 1 35 35 ASP H H 35 8.589 8.589 8.588 0.001 19945 18195 1 19 . 1 1 36 36 ILE N N 36 106.681 106.681 128.414 -21.733 19945 18196 1 19 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.600 -0.046 19945 18197 1 19 . 1 1 36 36 ILE C C 36 175.404 175.404 176.485 -1.081 19945 18198 1 19 . 1 1 36 36 ILE CA C 36 59.350 59.350 63.078 -3.728 19945 18199 1 19 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.387 1.884 19945 18200 1 19 . 1 1 36 36 ILE H H 36 9.705 9.705 7.904 1.801 19945 18201 1 19 . 1 1 37 37 ALA N N 37 123.095 123.095 120.742 2.353 19945 18202 1 19 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.101 -0.012 19945 18203 1 19 . 1 1 37 37 ALA C C 37 178.140 178.140 177.995 0.145 19945 18204 1 19 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.207 -0.591 19945 18205 1 19 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.896 0.450 19945 18206 1 19 . 1 1 37 37 ALA H H 37 8.261 8.261 7.632 0.629 19945 18207 1 19 . 1 1 38 38 LYS N N 38 115.312 115.312 116.779 -1.467 19945 18208 1 19 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.348 0.263 19945 18209 1 19 . 1 1 38 38 LYS C C 38 176.498 176.498 176.682 -0.184 19945 18210 1 19 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.496 -2.349 19945 18211 1 19 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.608 0.818 19945 18212 1 19 . 1 1 38 38 LYS H H 38 7.437 7.437 7.786 -0.349 19945 18213 1 19 . 1 1 39 39 SER N N 39 115.623 115.623 117.700 -2.077 19945 18214 1 19 . 1 1 39 39 SER HA H 39 5.019 5.019 4.482 0.537 19945 18215 1 19 . 1 1 39 39 SER C C 39 171.402 171.402 173.668 -2.266 19945 18216 1 19 . 1 1 39 39 SER CA C 39 58.929 58.929 59.356 -0.427 19945 18217 1 19 . 1 1 39 39 SER CB C 39 65.538 65.538 64.157 1.381 19945 18218 1 19 . 1 1 39 39 SER H H 39 7.051 7.051 7.461 -0.410 19945 18219 1 19 . 1 1 40 40 SER N N 40 118.860 118.860 115.969 2.891 19945 18220 1 19 . 1 1 40 40 SER HA H 40 5.025 5.025 4.880 0.145 19945 18221 1 19 . 1 1 40 40 SER C C 40 174.741 174.741 175.081 -0.340 19945 18222 1 19 . 1 1 40 40 SER CA C 40 56.003 56.003 57.050 -1.047 19945 18223 1 19 . 1 1 40 40 SER CB C 40 67.416 67.416 65.636 1.780 19945 18224 1 19 . 1 1 40 40 SER H H 40 9.377 9.377 8.348 1.029 19945 18225 1 19 . 1 1 41 41 LYS N N 41 122.504 122.504 123.226 -0.722 19945 18226 1 19 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.012 -0.274 19945 18227 1 19 . 1 1 41 41 LYS C C 41 177.391 177.391 178.340 -0.949 19945 18228 1 19 . 1 1 41 41 LYS CA C 41 60.973 60.973 60.149 0.824 19945 18229 1 19 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.315 0.992 19945 18230 1 19 . 1 1 41 41 LYS H H 41 9.098 9.098 8.883 0.215 19945 18231 1 19 . 1 1 42 42 GLU N N 42 115.836 115.836 115.299 0.537 19945 18232 1 19 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.365 -0.237 19945 18233 1 19 . 1 1 42 42 GLU C C 42 178.773 178.773 177.843 0.930 19945 18234 1 19 . 1 1 42 42 GLU CA C 42 59.992 59.992 57.869 2.123 19945 18235 1 19 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.365 -0.721 19945 18236 1 19 . 1 1 42 42 GLU H H 42 8.839 8.839 8.551 0.288 19945 18237 1 19 . 1 1 43 43 ASP N N 43 119.589 119.589 120.976 -1.387 19945 18238 1 19 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.522 -0.036 19945 18239 1 19 . 1 1 43 43 ASP C C 43 177.564 177.564 178.775 -1.211 19945 18240 1 19 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.692 0.909 19945 18241 1 19 . 1 1 43 43 ASP CB C 43 40.806 40.806 41.017 -0.211 19945 18242 1 19 . 1 1 43 43 ASP H H 43 7.794 7.794 7.687 0.107 19945 18243 1 19 . 1 1 44 44 LEU N N 44 118.745 118.745 120.442 -1.697 19945 18244 1 19 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.126 -0.155 19945 18245 1 19 . 1 1 44 44 LEU C C 44 178.600 178.600 179.000 -0.400 19945 18246 1 19 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.317 1.565 19945 18247 1 19 . 1 1 44 44 LEU CB C 44 42.724 42.724 41.926 0.798 19945 18248 1 19 . 1 1 44 44 LEU H H 44 6.854 6.854 7.650 -0.796 19945 18249 1 19 . 1 1 45 45 GLU N N 45 114.280 114.280 118.177 -3.897 19945 18250 1 19 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.999 -0.372 19945 18251 1 19 . 1 1 45 45 GLU C C 45 176.988 176.988 177.939 -0.951 19945 18252 1 19 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.710 -0.034 19945 18253 1 19 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.194 1.044 19945 18254 1 19 . 1 1 45 45 GLU H H 45 7.571 7.571 7.882 -0.311 19945 18255 1 19 . 1 1 46 46 ALA N N 46 118.860 118.860 121.404 -2.544 19945 18256 1 19 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.051 -0.013 19945 18257 1 19 . 1 1 46 46 ALA C C 46 176.901 176.901 177.838 -0.937 19945 18258 1 19 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.147 0.172 19945 18259 1 19 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.783 0.298 19945 18260 1 19 . 1 1 46 46 ALA H H 46 7.026 7.026 7.311 -0.285 19945 18261 1 19 . 1 1 47 47 TYR N N 47 115.674 115.674 116.576 -0.902 19945 18262 1 19 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.548 0.183 19945 18263 1 19 . 1 1 47 47 TYR C C 47 175.807 175.807 175.797 0.010 19945 18264 1 19 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.007 -1.400 19945 18265 1 19 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.876 1.786 19945 18266 1 19 . 1 1 47 47 TYR H H 47 7.277 7.277 7.456 -0.179 19945 18267 1 19 . 1 1 48 48 ASP N N 48 121.598 121.598 121.523 0.075 19945 18268 1 19 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.837 0.071 19945 18269 1 19 . 1 1 48 48 ASP C C 48 175.030 175.030 175.779 -0.749 19945 18270 1 19 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.647 -0.438 19945 18271 1 19 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.484 -0.838 19945 18272 1 19 . 1 1 48 48 ASP H H 48 9.546 9.546 8.507 1.039 19945 18273 1 19 . 1 1 49 49 ILE N N 49 119.608 119.608 118.942 0.666 19945 18274 1 19 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.160 0.134 19945 18275 1 19 . 1 1 49 49 ILE C C 49 175.059 175.059 174.615 0.444 19945 18276 1 19 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.447 0.083 19945 18277 1 19 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.849 -0.781 19945 18278 1 19 . 1 1 49 49 ILE H H 49 7.331 7.331 7.895 -0.564 19945 18279 1 19 . 1 1 50 50 LEU N N 50 127.901 127.901 125.762 2.139 19945 18280 1 19 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.517 0.143 19945 18281 1 19 . 1 1 50 50 LEU C C 50 174.598 174.598 175.371 -0.773 19945 18282 1 19 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.566 -0.747 19945 18283 1 19 . 1 1 50 50 LEU CB C 50 48.037 48.037 45.743 2.294 19945 18284 1 19 . 1 1 50 50 LEU H H 50 9.095 9.095 8.956 0.139 19945 18285 1 19 . 1 1 51 51 LEU N N 51 123.440 123.440 124.281 -0.841 19945 18286 1 19 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.372 0.660 19945 18287 1 19 . 1 1 51 51 LEU C C 51 175.894 175.894 175.469 0.425 19945 18288 1 19 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.068 -0.757 19945 18289 1 19 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.349 -0.030 19945 18290 1 19 . 1 1 51 51 LEU H H 51 9.275 9.275 9.335 -0.060 19945 18291 1 19 . 1 1 52 52 LEU N N 52 123.320 123.320 125.445 -2.125 19945 18292 1 19 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.651 0.005 19945 18293 1 19 . 1 1 52 52 LEU C C 52 173.763 173.763 175.916 -2.153 19945 18294 1 19 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.300 -0.423 19945 18295 1 19 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.415 -1.929 19945 18296 1 19 . 1 1 52 52 LEU H H 52 9.024 9.024 9.063 -0.039 19945 18297 1 19 . 1 1 53 53 GLY N N 53 110.739 110.739 112.332 -1.593 19945 18298 1 19 . 1 1 53 53 GLY C C 53 174.530 174.530 171.659 2.871 19945 18299 1 19 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.266 -0.277 19945 18300 1 19 . 1 1 53 53 GLY H H 53 9.283 9.283 9.162 0.121 19945 18301 1 19 . 1 1 54 54 ILE N N 54 126.032 126.032 124.975 1.057 19945 18302 1 19 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.489 0.717 19945 18303 1 19 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.549 -0.542 19945 18304 1 19 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.239 1.752 19945 18305 1 19 . 1 1 54 54 ILE H H 54 9.136 9.136 8.627 0.509 19945 18306 1 19 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.913 0.404 19945 18307 1 19 . 1 1 55 55 PRO C C 55 174.771 174.771 176.626 -1.855 19945 18308 1 19 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.956 -0.208 19945 18309 1 19 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.034 -0.020 19945 18310 1 19 . 1 1 56 56 THR N N 56 113.710 113.710 119.143 -5.433 19945 18311 1 19 . 1 1 56 56 THR HA H 56 4.582 4.582 4.831 -0.249 19945 18312 1 19 . 1 1 56 56 THR C C 56 171.719 171.719 173.987 -2.268 19945 18313 1 19 . 1 1 56 56 THR CA C 56 62.383 62.383 63.623 -1.240 19945 18314 1 19 . 1 1 56 56 THR CB C 56 69.692 69.692 70.362 -0.670 19945 18315 1 19 . 1 1 56 56 THR H H 56 6.599 6.599 7.794 -1.195 19945 18316 1 19 . 1 1 57 57 TRP N N 57 130.050 130.050 125.580 4.470 19945 18317 1 19 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.588 -1.962 19945 18318 1 19 . 1 1 57 57 TRP C C 57 172.611 172.611 175.306 -2.695 19945 18319 1 19 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.367 -0.091 19945 18320 1 19 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.980 1.774 19945 18321 1 19 . 1 1 57 57 TRP H H 57 8.865 8.865 8.921 -0.056 19945 18322 1 19 . 1 1 58 58 TYR N N 58 112.793 112.793 119.528 -6.735 19945 18323 1 19 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.076 0.140 19945 18324 1 19 . 1 1 58 58 TYR C C 58 173.619 173.619 174.685 -1.066 19945 18325 1 19 . 1 1 58 58 TYR CA C 58 59.200 59.200 57.992 1.208 19945 18326 1 19 . 1 1 58 58 TYR CB C 58 36.200 36.200 35.921 0.279 19945 18327 1 19 . 1 1 58 58 TYR H H 58 5.730 5.730 8.358 -2.628 19945 18328 1 19 . 1 1 59 59 TYR N N 59 112.220 112.220 114.572 -2.352 19945 18329 1 19 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.743 -0.348 19945 18330 1 19 . 1 1 59 59 TYR C C 59 175.865 175.865 174.723 1.142 19945 18331 1 19 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.499 1.961 19945 18332 1 19 . 1 1 59 59 TYR CB C 59 33.610 33.610 35.103 -1.493 19945 18333 1 19 . 1 1 59 59 TYR H H 59 7.661 7.661 8.001 -0.340 19945 18334 1 19 . 1 1 60 60 GLY N N 60 104.550 104.550 107.250 -2.700 19945 18335 1 19 . 1 1 60 60 GLY C C 60 174.483 174.483 173.932 0.551 19945 18336 1 19 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.053 1.125 19945 18337 1 19 . 1 1 60 60 GLY H H 60 8.142 8.142 7.948 0.194 19945 18338 1 19 . 1 1 61 61 GLU N N 61 120.991 120.991 116.735 4.256 19945 18339 1 19 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.788 -0.350 19945 18340 1 19 . 1 1 61 61 GLU C C 61 175.548 175.548 174.840 0.708 19945 18341 1 19 . 1 1 61 61 GLU CA C 61 55.476 55.476 53.680 1.796 19945 18342 1 19 . 1 1 61 61 GLU CB C 61 30.500 30.500 32.931 -2.431 19945 18343 1 19 . 1 1 61 61 GLU H H 61 8.307 8.307 8.120 0.187 19945 18344 1 19 . 1 1 62 62 ALA N N 62 122.750 122.750 123.981 -1.231 19945 18345 1 19 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.459 -0.253 19945 18346 1 19 . 1 1 62 62 ALA C C 62 176.671 176.671 177.848 -1.177 19945 18347 1 19 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.709 0.101 19945 18348 1 19 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.865 1.341 19945 18349 1 19 . 1 1 62 62 ALA H H 62 8.722 8.722 8.590 0.132 19945 18350 1 19 . 1 1 63 63 GLN N N 63 120.579 120.579 119.629 0.950 19945 18351 1 19 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.234 -0.348 19945 18352 1 19 . 1 1 63 63 GLN C C 63 176.757 176.757 177.612 -0.855 19945 18353 1 19 . 1 1 63 63 GLN CA C 63 57.609 57.609 56.140 1.469 19945 18354 1 19 . 1 1 63 63 GLN H H 63 6.302 6.302 8.655 -2.353 19945 18355 1 19 . 1 1 64 64 CYS N N 64 125.487 125.487 121.247 4.240 19945 18356 1 19 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.033 0.078 19945 18357 1 19 . 1 1 64 64 CYS C C 64 174.972 174.972 176.558 -1.586 19945 18358 1 19 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.320 -0.831 19945 18359 1 19 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.495 0.087 19945 18360 1 19 . 1 1 64 64 CYS H H 64 9.091 9.091 8.920 0.171 19945 18361 1 19 . 1 1 65 65 ASP N N 65 120.298 120.298 120.108 0.190 19945 18362 1 19 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.273 0.126 19945 18363 1 19 . 1 1 65 65 ASP C C 65 179.000 179.000 177.350 1.650 19945 18364 1 19 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.553 0.579 19945 18365 1 19 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.184 1.038 19945 18366 1 19 . 1 1 65 65 ASP H H 65 7.093 7.093 8.608 -1.515 19945 18367 1 19 . 1 1 66 66 TRP N N 66 122.608 122.608 119.462 3.146 19945 18368 1 19 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.320 -0.104 19945 18369 1 19 . 1 1 66 66 TRP C C 66 176.930 176.930 177.597 -0.667 19945 18370 1 19 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.197 1.326 19945 18371 1 19 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.693 0.268 19945 18372 1 19 . 1 1 66 66 TRP H H 66 7.394 7.394 7.614 -0.220 19945 18373 1 19 . 1 1 67 67 ASP N N 67 118.860 118.860 119.150 -0.290 19945 18374 1 19 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.661 -0.136 19945 18375 1 19 . 1 1 67 67 ASP C C 67 179.579 179.579 177.696 1.883 19945 18376 1 19 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.001 0.340 19945 18377 1 19 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.754 1.646 19945 18378 1 19 . 1 1 67 67 ASP H H 67 8.087 8.087 7.927 0.160 19945 18379 1 19 . 1 1 68 68 ASP N N 68 116.220 116.220 118.547 -2.327 19945 18380 1 19 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.449 -0.093 19945 18381 1 19 . 1 1 68 68 ASP C C 68 176.873 176.873 176.993 -0.120 19945 18382 1 19 . 1 1 68 68 ASP CA C 68 56.255 56.255 55.915 0.340 19945 18383 1 19 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.125 -0.318 19945 18384 1 19 . 1 1 68 68 ASP H H 68 8.056 8.056 8.044 0.012 19945 18385 1 19 . 1 1 69 69 PHE N N 69 120.493 120.493 117.984 2.509 19945 18386 1 19 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.433 -0.070 19945 18387 1 19 . 1 1 69 69 PHE C C 69 177.103 177.103 176.324 0.779 19945 18388 1 19 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.697 -0.768 19945 18389 1 19 . 1 1 69 69 PHE CB C 69 41.530 41.530 40.362 1.168 19945 18390 1 19 . 1 1 69 69 PHE H H 69 7.659 7.659 7.525 0.134 19945 18391 1 19 . 1 1 70 70 PHE N N 70 122.293 122.293 119.786 2.507 19945 18392 1 19 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.427 0.591 19945 18393 1 19 . 1 1 70 70 PHE C C 70 174.396 174.396 174.728 -0.332 19945 18394 1 19 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.531 -2.408 19945 18395 1 19 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.486 -0.731 19945 18396 1 19 . 1 1 70 70 PHE H H 70 8.197 8.197 8.255 -0.058 19945 18397 1 19 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.355 0.043 19945 18398 1 19 . 1 1 71 71 PRO C C 71 179.118 179.118 177.540 1.578 19945 18399 1 19 . 1 1 71 71 PRO CA C 71 66.367 66.367 65.037 1.330 19945 18400 1 19 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.155 -0.226 19945 18401 1 19 . 1 1 72 72 THR N N 72 114.461 114.461 113.552 0.909 19945 18402 1 19 . 1 1 72 72 THR HA H 72 3.816 3.816 4.133 -0.317 19945 18403 1 19 . 1 1 72 72 THR C C 72 176.498 176.498 176.659 -0.161 19945 18404 1 19 . 1 1 72 72 THR CA C 72 65.803 65.803 64.561 1.242 19945 18405 1 19 . 1 1 72 72 THR CB C 72 67.203 67.203 68.793 -1.590 19945 18406 1 19 . 1 1 72 72 THR H H 72 7.534 7.534 7.581 -0.047 19945 18407 1 19 . 1 1 73 73 LEU N N 73 124.812 124.812 123.541 1.271 19945 18408 1 19 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.311 -0.221 19945 18409 1 19 . 1 1 73 73 LEU C C 73 177.996 177.996 178.333 -0.337 19945 18410 1 19 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.365 -0.214 19945 18411 1 19 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.176 1.610 19945 18412 1 19 . 1 1 73 73 LEU H H 73 8.123 8.123 8.415 -0.292 19945 18413 1 19 . 1 1 74 74 GLU N N 74 111.877 111.877 116.017 -4.140 19945 18414 1 19 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.268 -0.443 19945 18415 1 19 . 1 1 74 74 GLU C C 74 176.930 176.930 177.201 -0.271 19945 18416 1 19 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.255 -0.580 19945 18417 1 19 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.332 0.689 19945 18418 1 19 . 1 1 74 74 GLU H H 74 7.933 7.933 7.960 -0.027 19945 18419 1 19 . 1 1 75 75 GLU N N 75 116.571 116.571 117.825 -1.254 19945 18420 1 19 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.244 0.103 19945 18421 1 19 . 1 1 75 75 GLU C C 75 177.045 177.045 176.474 0.571 19945 18422 1 19 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.527 -0.501 19945 18423 1 19 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.408 0.101 19945 18424 1 19 . 1 1 75 75 GLU H H 75 7.659 7.659 7.879 -0.220 19945 18425 1 19 . 1 1 76 76 ILE N N 76 123.080 123.080 119.994 3.086 19945 18426 1 19 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.662 0.115 19945 18427 1 19 . 1 1 76 76 ILE C C 76 174.656 174.656 174.398 0.258 19945 18428 1 19 . 1 1 76 76 ILE CA C 76 62.074 62.074 62.544 -0.470 19945 18429 1 19 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.787 0.218 19945 18430 1 19 . 1 1 76 76 ILE H H 76 7.468 7.468 7.317 0.151 19945 18431 1 19 . 1 1 77 77 ASP N N 77 126.540 126.540 123.568 2.972 19945 18432 1 19 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.727 0.086 19945 18433 1 19 . 1 1 77 77 ASP C C 77 176.614 176.614 174.716 1.898 19945 18434 1 19 . 1 1 77 77 ASP CA C 77 53.141 53.141 52.894 0.247 19945 18435 1 19 . 1 1 77 77 ASP CB C 77 40.865 40.865 43.886 -3.021 19945 18436 1 19 . 1 1 77 77 ASP H H 77 8.605 8.605 7.823 0.782 19945 18437 1 19 . 1 1 78 78 PHE N N 78 124.583 124.583 121.062 3.521 19945 18438 1 19 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.741 -0.581 19945 18439 1 19 . 1 1 78 78 PHE C C 78 175.347 175.347 175.052 0.295 19945 18440 1 19 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.770 2.372 19945 18441 1 19 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.919 0.249 19945 18442 1 19 . 1 1 78 78 PHE H H 78 8.053 8.053 8.984 -0.931 19945 18443 1 19 . 1 1 79 79 ASN N N 79 121.321 121.321 119.600 1.721 19945 18444 1 19 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.622 -0.105 19945 18445 1 19 . 1 1 79 79 ASN C C 79 176.815 176.815 176.803 0.012 19945 18446 1 19 . 1 1 79 79 ASN CA C 79 56.452 56.452 54.164 2.288 19945 18447 1 19 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.295 0.444 19945 18448 1 19 . 1 1 79 79 ASN H H 79 8.695 8.695 8.538 0.157 19945 18449 1 19 . 1 1 80 80 GLY N N 80 114.150 114.150 112.517 1.633 19945 18450 1 19 . 1 1 80 80 GLY C C 80 174.195 174.195 174.856 -0.661 19945 18451 1 19 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.598 0.048 19945 18452 1 19 . 1 1 80 80 GLY H H 80 8.646 8.646 8.381 0.265 19945 18453 1 19 . 1 1 81 81 LYS N N 81 119.318 119.318 120.775 -1.457 19945 18454 1 19 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.550 0.487 19945 18455 1 19 . 1 1 81 81 LYS C C 81 176.268 176.268 175.719 0.549 19945 18456 1 19 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.266 -0.270 19945 18457 1 19 . 1 1 81 81 LYS CB C 81 33.955 33.955 34.377 -0.422 19945 18458 1 19 . 1 1 81 81 LYS H H 81 8.295 8.295 7.892 0.403 19945 18459 1 19 . 1 1 82 82 LEU N N 82 127.000 127.000 122.839 4.161 19945 18460 1 19 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.134 0.096 19945 18461 1 19 . 1 1 82 82 LEU C C 82 175.347 175.347 176.089 -0.742 19945 18462 1 19 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.149 -0.345 19945 18463 1 19 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.791 0.360 19945 18464 1 19 . 1 1 82 82 LEU H H 82 8.407 8.407 8.608 -0.201 19945 18465 1 19 . 1 1 83 83 VAL N N 83 121.665 121.665 121.059 0.606 19945 18466 1 19 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.296 0.544 19945 18467 1 19 . 1 1 83 83 VAL C C 83 173.417 173.417 174.064 -0.647 19945 18468 1 19 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.242 -1.040 19945 18469 1 19 . 1 1 83 83 VAL CB C 83 36.348 36.348 36.283 0.065 19945 18470 1 19 . 1 1 83 83 VAL H H 83 8.960 8.960 9.134 -0.174 19945 18471 1 19 . 1 1 84 84 ALA N N 84 128.017 128.017 126.830 1.187 19945 18472 1 19 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.659 -0.326 19945 18473 1 19 . 1 1 84 84 ALA C C 84 175.231 175.231 175.772 -0.541 19945 18474 1 19 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.793 0.635 19945 18475 1 19 . 1 1 84 84 ALA CB C 84 24.128 24.128 22.950 1.178 19945 18476 1 19 . 1 1 84 84 ALA H H 84 9.021 9.021 9.102 -0.081 19945 18477 1 19 . 1 1 85 85 LEU N N 85 124.220 124.220 121.544 2.676 19945 18478 1 19 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.383 0.229 19945 18479 1 19 . 1 1 85 85 LEU C C 85 174.454 174.454 175.704 -1.250 19945 18480 1 19 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.434 -0.461 19945 18481 1 19 . 1 1 85 85 LEU CB C 85 45.912 45.912 44.712 1.200 19945 18482 1 19 . 1 1 85 85 LEU H H 85 11.134 11.134 8.860 2.274 19945 18483 1 19 . 1 1 86 86 PHE N N 86 114.461 114.461 121.826 -7.365 19945 18484 1 19 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.031 0.191 19945 18485 1 19 . 1 1 86 86 PHE C C 86 173.619 173.619 173.417 0.202 19945 18486 1 19 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.901 -1.223 19945 18487 1 19 . 1 1 86 86 PHE CB C 86 42.980 42.980 43.417 -0.438 19945 18488 1 19 . 1 1 86 86 PHE H H 86 8.829 8.829 8.921 -0.092 19945 18489 1 19 . 1 1 87 87 GLY N N 87 104.437 104.437 110.638 -6.201 19945 18490 1 19 . 1 1 87 87 GLY C C 87 170.423 170.423 171.442 -1.019 19945 18491 1 19 . 1 1 87 87 GLY CA C 87 45.930 45.930 44.659 1.271 19945 18492 1 19 . 1 1 87 87 GLY H H 87 8.496 8.496 8.170 0.326 19945 18493 1 19 . 1 1 88 88 CYS N N 88 114.166 114.166 121.082 -6.916 19945 18494 1 19 . 1 1 88 88 CYS HA H 88 6.003 6.003 4.512 1.491 19945 18495 1 19 . 1 1 88 88 CYS C C 88 174.425 174.425 173.532 0.893 19945 18496 1 19 . 1 1 88 88 CYS CA C 88 56.538 56.538 59.008 -2.470 19945 18497 1 19 . 1 1 88 88 CYS CB C 88 31.301 31.301 28.479 2.822 19945 18498 1 19 . 1 1 88 88 CYS H H 88 5.354 5.354 8.612 -3.258 19945 18499 1 19 . 1 1 89 89 GLY N N 89 109.463 109.463 112.125 -2.662 19945 18500 1 19 . 1 1 89 89 GLY C C 89 173.187 173.187 171.770 1.417 19945 18501 1 19 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.582 1.861 19945 18502 1 19 . 1 1 89 89 GLY H H 89 8.404 8.404 8.441 -0.037 19945 18503 1 19 . 1 1 90 90 ASP N N 90 123.090 123.090 119.686 3.404 19945 18504 1 19 . 1 1 90 90 ASP HA H 90 5.799 5.799 4.762 1.037 19945 18505 1 19 . 1 1 90 90 ASP C C 90 176.095 176.095 174.224 1.871 19945 18506 1 19 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.075 -0.522 19945 18507 1 19 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.381 -0.126 19945 18508 1 19 . 1 1 90 90 ASP H H 90 8.698 8.698 8.468 0.230 19945 18509 1 19 . 1 1 91 91 GLN N N 91 123.780 123.780 121.702 2.078 19945 18510 1 19 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.732 -1.036 19945 18511 1 19 . 1 1 91 91 GLN C C 91 173.639 173.639 174.692 -1.053 19945 18512 1 19 . 1 1 91 91 GLN CA C 91 57.060 57.060 54.663 2.397 19945 18513 1 19 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.830 0.611 19945 18514 1 19 . 1 1 91 91 GLN H H 91 9.675 9.675 8.109 1.566 19945 18515 1 19 . 1 1 92 92 GLU N N 92 118.631 118.631 122.292 -3.661 19945 18516 1 19 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.170 0.421 19945 18517 1 19 . 1 1 92 92 GLU C C 92 177.247 177.247 176.843 0.404 19945 18518 1 19 . 1 1 92 92 GLU CA C 92 57.336 57.336 57.381 -0.045 19945 18519 1 19 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.913 -0.143 19945 18520 1 19 . 1 1 92 92 GLU H H 92 8.396 8.396 8.849 -0.453 19945 18521 1 19 . 1 1 93 93 ASP N N 93 120.889 120.889 118.648 2.241 19945 18522 1 19 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.594 -0.312 19945 18523 1 19 . 1 1 93 93 ASP C C 93 175.986 175.986 177.125 -1.139 19945 18524 1 19 . 1 1 93 93 ASP CA C 93 55.425 55.425 54.823 0.602 19945 18525 1 19 . 1 1 93 93 ASP CB C 93 40.250 40.250 42.533 -2.283 19945 18526 1 19 . 1 1 93 93 ASP H H 93 7.779 7.779 8.665 -0.886 19945 18527 1 19 . 1 1 94 94 TYR N N 94 117.028 117.028 120.200 -3.172 19945 18528 1 19 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.791 -0.106 19945 18529 1 19 . 1 1 94 94 TYR C C 94 175.519 175.519 177.045 -1.526 19945 18530 1 19 . 1 1 94 94 TYR CA C 94 56.379 56.379 57.882 -1.502 19945 18531 1 19 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.818 -0.976 19945 18532 1 19 . 1 1 94 94 TYR H H 94 6.693 6.693 8.874 -2.181 19945 18533 1 19 . 1 1 95 95 ALA N N 95 121.950 121.950 122.920 -0.970 19945 18534 1 19 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.183 -0.027 19945 18535 1 19 . 1 1 95 95 ALA C C 95 179.723 179.723 178.228 1.495 19945 18536 1 19 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.448 1.475 19945 18537 1 19 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.320 2.235 19945 18538 1 19 . 1 1 95 95 ALA H H 95 6.962 6.962 8.439 -1.477 19945 18539 1 19 . 1 1 96 96 GLU N N 96 115.884 115.884 116.642 -0.758 19945 18540 1 19 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.280 0.026 19945 18541 1 19 . 1 1 96 96 GLU C C 96 174.684 174.684 175.652 -0.968 19945 18542 1 19 . 1 1 96 96 GLU CA C 96 56.985 56.985 57.282 -0.297 19945 18543 1 19 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.515 -0.339 19945 18544 1 19 . 1 1 96 96 GLU H H 96 9.327 9.327 8.608 0.719 19945 18545 1 19 . 1 1 97 97 TYR N N 97 121.836 121.836 115.603 6.233 19945 18546 1 19 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.766 0.643 19945 18547 1 19 . 1 1 97 97 TYR C C 97 179.953 179.953 174.847 5.106 19945 18548 1 19 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.553 -0.111 19945 18549 1 19 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.950 1.341 19945 18550 1 19 . 1 1 97 97 TYR H H 97 8.175 8.175 8.180 -0.005 19945 18551 1 19 . 1 1 98 98 PHE N N 98 124.580 124.580 123.441 1.139 19945 18552 1 19 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.568 0.569 19945 18553 1 19 . 1 1 98 98 PHE C C 98 174.742 174.742 175.956 -1.214 19945 18554 1 19 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.371 -0.708 19945 18555 1 19 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.230 -0.575 19945 18556 1 19 . 1 1 98 98 PHE H H 98 7.889 7.889 8.186 -0.297 19945 18557 1 19 . 1 1 99 99 CYS N N 99 120.329 120.329 123.548 -3.219 19945 18558 1 19 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.678 -0.026 19945 18559 1 19 . 1 1 99 99 CYS C C 99 175.087 175.087 174.541 0.546 19945 18560 1 19 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.110 2.766 19945 18561 1 19 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.213 -1.213 19945 18562 1 19 . 1 1 99 99 CYS H H 99 8.617 8.617 8.594 0.023 19945 18563 1 19 . 1 1 100 100 ASP N N 100 116.705 116.705 119.939 -3.234 19945 18564 1 19 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.340 -0.395 19945 18565 1 19 . 1 1 100 100 ASP C C 100 178.888 178.888 177.479 1.409 19945 18566 1 19 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.086 1.042 19945 18567 1 19 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.424 0.526 19945 18568 1 19 . 1 1 100 100 ASP H H 100 7.104 7.104 7.715 -0.611 19945 18569 1 19 . 1 1 101 101 ALA N N 101 118.631 118.631 120.883 -2.252 19945 18570 1 19 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.208 -0.057 19945 18571 1 19 . 1 1 101 101 ALA C C 101 178.600 178.600 178.766 -0.166 19945 18572 1 19 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.148 0.249 19945 18573 1 19 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.665 0.145 19945 18574 1 19 . 1 1 101 101 ALA H H 101 8.716 8.716 7.658 1.058 19945 18575 1 19 . 1 1 102 102 LEU N N 102 115.083 115.083 119.112 -4.029 19945 18576 1 19 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.851 -0.237 19945 18577 1 19 . 1 1 102 102 LEU C C 102 179.573 179.573 178.922 0.651 19945 18578 1 19 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.933 -0.089 19945 18579 1 19 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.251 1.463 19945 18580 1 19 . 1 1 102 102 LEU H H 102 7.171 7.171 7.428 -0.257 19945 18581 1 19 . 1 1 103 103 GLY N N 103 104.501 104.501 105.703 -1.202 19945 18582 1 19 . 1 1 103 103 GLY C C 103 175.145 175.145 175.594 -0.449 19945 18583 1 19 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.483 -0.775 19945 18584 1 19 . 1 1 103 103 GLY H H 103 7.365 7.365 7.958 -0.593 19945 18585 1 19 . 1 1 104 104 THR N N 104 118.860 118.860 118.802 0.058 19945 18586 1 19 . 1 1 104 104 THR HA H 104 3.737 3.737 3.806 -0.069 19945 18587 1 19 . 1 1 104 104 THR C C 104 176.354 176.354 176.250 0.104 19945 18588 1 19 . 1 1 104 104 THR CA C 104 65.799 65.799 66.288 -0.489 19945 18589 1 19 . 1 1 104 104 THR CB C 104 67.961 67.961 68.548 -0.587 19945 18590 1 19 . 1 1 104 104 THR H H 104 7.343 7.343 7.223 0.120 19945 18591 1 19 . 1 1 105 105 ILE N N 105 118.663 118.663 120.972 -2.309 19945 18592 1 19 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.420 0.084 19945 18593 1 19 . 1 1 105 105 ILE C C 105 177.391 177.391 177.078 0.313 19945 18594 1 19 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.462 1.088 19945 18595 1 19 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.339 0.411 19945 18596 1 19 . 1 1 105 105 ILE H H 105 7.589 7.589 7.249 0.340 19945 18597 1 19 . 1 1 106 106 ARG N N 106 126.041 126.041 120.824 5.217 19945 18598 1 19 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.707 -0.127 19945 18599 1 19 . 1 1 106 106 ARG C C 106 176.614 176.614 177.842 -1.228 19945 18600 1 19 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.271 -0.004 19945 18601 1 19 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.946 -2.630 19945 18602 1 19 . 1 1 106 106 ARG H H 106 7.307 7.307 8.366 -1.059 19945 18603 1 19 . 1 1 107 107 ASP N N 107 117.480 117.480 118.291 -0.811 19945 18604 1 19 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.414 -0.066 19945 18605 1 19 . 1 1 107 107 ASP C C 107 177.189 177.189 177.526 -0.337 19945 18606 1 19 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.634 -0.134 19945 18607 1 19 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.628 -0.954 19945 18608 1 19 . 1 1 107 107 ASP H H 107 8.202 8.202 8.119 0.083 19945 18609 1 19 . 1 1 108 108 ILE N N 108 117.715 117.715 118.475 -0.760 19945 18610 1 19 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.983 -0.127 19945 18611 1 19 . 1 1 108 108 ILE C C 108 178.427 178.427 177.756 0.671 19945 18612 1 19 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.575 0.402 19945 18613 1 19 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.965 0.486 19945 18614 1 19 . 1 1 108 108 ILE H H 108 7.107 7.107 7.405 -0.298 19945 18615 1 19 . 1 1 109 109 ILE N N 109 111.534 111.534 118.213 -6.679 19945 18616 1 19 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.516 0.219 19945 18617 1 19 . 1 1 109 109 ILE C C 109 177.305 177.305 177.340 -0.035 19945 18618 1 19 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.972 -0.367 19945 18619 1 19 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.367 0.044 19945 18620 1 19 . 1 1 109 109 ILE H H 109 7.501 7.501 8.301 -0.800 19945 18621 1 19 . 1 1 110 110 GLU N N 110 127.123 127.123 122.494 4.629 19945 18622 1 19 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.244 0.054 19945 18623 1 19 . 1 1 110 110 GLU C C 110 177.391 177.391 177.157 0.234 19945 18624 1 19 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.319 2.012 19945 18625 1 19 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.504 -0.656 19945 18626 1 19 . 1 1 110 110 GLU H H 110 8.867 8.867 8.474 0.393 19945 18627 1 19 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.351 0.265 19945 18628 1 19 . 1 1 111 111 PRO C C 111 177.417 177.417 178.056 -0.639 19945 18629 1 19 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.544 0.691 19945 18630 1 19 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.338 -0.303 19945 18631 1 19 . 1 1 112 112 ARG N N 112 114.612 114.612 116.816 -2.204 19945 18632 1 19 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.416 0.152 19945 18633 1 19 . 1 1 112 112 ARG C C 112 175.792 175.792 176.576 -0.784 19945 18634 1 19 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.200 0.541 19945 18635 1 19 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.811 0.693 19945 18636 1 19 . 1 1 112 112 ARG H H 112 6.542 6.542 7.730 -1.188 19945 18637 1 19 . 1 1 113 113 GLY N N 113 106.474 106.474 106.234 0.240 19945 18638 1 19 . 1 1 113 113 GLY C C 113 174.347 174.347 174.294 0.053 19945 18639 1 19 . 1 1 113 113 GLY CA C 113 45.640 45.640 44.902 0.738 19945 18640 1 19 . 1 1 113 113 GLY H H 113 7.845 7.845 8.005 -0.160 19945 18641 1 19 . 1 1 114 114 ALA N N 114 122.280 122.280 125.350 -3.070 19945 18642 1 19 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.825 -0.546 19945 18643 1 19 . 1 1 114 114 ALA C C 114 176.785 176.785 177.061 -0.276 19945 18644 1 19 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.273 1.118 19945 18645 1 19 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.627 -0.014 19945 18646 1 19 . 1 1 114 114 ALA H H 114 7.535 7.535 8.190 -0.655 19945 18647 1 19 . 1 1 115 115 THR N N 115 120.909 120.909 119.951 0.958 19945 18648 1 19 . 1 1 115 115 THR HA H 115 4.478 4.478 4.645 -0.167 19945 18649 1 19 . 1 1 115 115 THR C C 115 172.963 172.963 173.473 -0.510 19945 18650 1 19 . 1 1 115 115 THR CA C 115 62.825 62.825 62.888 -0.063 19945 18651 1 19 . 1 1 115 115 THR CB C 115 69.501 69.501 69.455 0.046 19945 18652 1 19 . 1 1 115 115 THR H H 115 7.902 7.902 8.736 -0.834 19945 18653 1 19 . 1 1 116 116 ILE N N 116 129.162 129.162 128.528 0.634 19945 18654 1 19 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.247 0.050 19945 18655 1 19 . 1 1 116 116 ILE C C 116 177.056 177.056 176.055 1.001 19945 18656 1 19 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.178 0.345 19945 18657 1 19 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.610 -1.310 19945 18658 1 19 . 1 1 116 116 ILE H H 116 8.784 8.784 8.538 0.246 19945 18659 1 19 . 1 1 117 117 VAL N N 117 122.981 122.981 121.693 1.288 19945 18660 1 19 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.837 -0.243 19945 18661 1 19 . 1 1 117 117 VAL C C 117 175.190 175.190 175.872 -0.682 19945 18662 1 19 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.773 -0.844 19945 18663 1 19 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.753 -2.389 19945 18664 1 19 . 1 1 117 117 VAL H H 117 8.812 8.812 8.952 -0.140 19945 18665 1 19 . 1 1 118 118 GLY N N 118 108.558 108.558 107.391 1.167 19945 18666 1 19 . 1 1 118 118 GLY C C 118 175.792 175.792 174.299 1.493 19945 18667 1 19 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.986 1.760 19945 18668 1 19 . 1 1 118 118 GLY H H 118 9.297 9.297 8.767 0.530 19945 18669 1 19 . 1 1 119 119 HIS N N 119 118.402 118.402 116.810 1.592 19945 18670 1 19 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.762 0.010 19945 18671 1 19 . 1 1 119 119 HIS C C 119 175.866 175.866 175.139 0.727 19945 18672 1 19 . 1 1 119 119 HIS CA C 119 55.602 55.602 54.855 0.747 19945 18673 1 19 . 1 1 119 119 HIS CB C 119 28.856 28.856 28.437 0.419 19945 18674 1 19 . 1 1 119 119 HIS H H 119 8.901 8.901 8.056 0.845 19945 18675 1 19 . 1 1 120 120 TRP N N 120 124.300 124.300 127.910 -3.610 19945 18676 1 19 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.167 1.126 19945 18677 1 19 . 1 1 120 120 TRP C C 120 173.113 173.113 174.930 -1.817 19945 18678 1 19 . 1 1 120 120 TRP CA C 120 53.504 53.504 55.063 -1.559 19945 18679 1 19 . 1 1 120 120 TRP CB C 120 35.286 35.286 31.409 3.877 19945 18680 1 19 . 1 1 120 120 TRP H H 120 8.455 8.455 8.931 -0.476 19945 18681 1 19 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.257 0.340 19945 18682 1 19 . 1 1 121 121 PRO C C 121 176.243 176.243 176.885 -0.642 19945 18683 1 19 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.781 0.670 19945 18684 1 19 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.439 -0.342 19945 18685 1 19 . 1 1 122 122 THR N N 122 110.568 110.568 109.892 0.676 19945 18686 1 19 . 1 1 122 122 THR HA H 122 4.232 4.232 4.068 0.164 19945 18687 1 19 . 1 1 122 122 THR C C 122 176.424 176.424 175.598 0.826 19945 18688 1 19 . 1 1 122 122 THR CA C 122 62.079 62.079 62.347 -0.268 19945 18689 1 19 . 1 1 122 122 THR CB C 122 68.758 68.758 69.064 -0.306 19945 18690 1 19 . 1 1 122 122 THR H H 122 7.560 7.560 8.095 -0.535 19945 18691 1 19 . 1 1 123 123 ALA N N 123 126.038 126.038 123.211 2.827 19945 18692 1 19 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.901 0.368 19945 18693 1 19 . 1 1 123 123 ALA C C 123 178.862 178.862 177.515 1.347 19945 18694 1 19 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.678 1.204 19945 18695 1 19 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.072 1.212 19945 18696 1 19 . 1 1 123 123 ALA H H 123 7.144 7.144 7.863 -0.719 19945 18697 1 19 . 1 1 124 124 GLY N N 124 111.468 111.468 104.573 6.895 19945 18698 1 19 . 1 1 124 124 GLY C C 124 173.775 173.775 174.138 -0.363 19945 18699 1 19 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.639 0.742 19945 18700 1 19 . 1 1 124 124 GLY H H 124 9.058 9.058 8.154 0.904 19945 18701 1 19 . 1 1 125 125 TYR N N 125 119.088 119.088 122.187 -3.099 19945 18702 1 19 . 1 1 125 125 TYR HA H 125 4.942 4.942 3.891 1.051 19945 18703 1 19 . 1 1 125 125 TYR C C 125 175.581 175.581 175.968 -0.387 19945 18704 1 19 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.802 -3.040 19945 18705 1 19 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.140 1.410 19945 18706 1 19 . 1 1 125 125 TYR H H 125 8.008 8.008 7.724 0.284 19945 18707 1 19 . 1 1 126 126 HIS N N 126 121.799 121.799 119.738 2.061 19945 18708 1 19 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.288 0.725 19945 18709 1 19 . 1 1 126 126 HIS C C 126 171.969 171.969 172.834 -0.865 19945 18710 1 19 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.275 -0.128 19945 18711 1 19 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.530 -2.143 19945 18712 1 19 . 1 1 126 126 HIS H H 126 9.512 9.512 7.116 2.396 19945 18713 1 19 . 1 1 127 127 PHE N N 127 117.258 117.258 119.236 -1.978 19945 18714 1 19 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.294 0.629 19945 18715 1 19 . 1 1 127 127 PHE C C 127 172.722 172.722 176.337 -3.615 19945 18716 1 19 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.225 -0.925 19945 18717 1 19 . 1 1 127 127 PHE CB C 127 39.754 39.754 39.523 0.232 19945 18718 1 19 . 1 1 127 127 PHE H H 127 7.397 7.397 5.934 1.463 19945 18719 1 19 . 1 1 128 128 GLU N N 128 120.484 120.484 120.365 0.119 19945 18720 1 19 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.222 0.141 19945 18721 1 19 . 1 1 128 128 GLU C C 128 176.033 176.033 176.571 -0.538 19945 18722 1 19 . 1 1 128 128 GLU CA C 128 57.068 57.068 57.875 -0.807 19945 18723 1 19 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.402 1.430 19945 18724 1 19 . 1 1 128 128 GLU H H 128 8.492 8.492 8.700 -0.208 19945 18725 1 19 . 1 1 129 129 ALA N N 129 123.500 123.500 121.730 1.770 19945 18726 1 19 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.555 0.143 19945 18727 1 19 . 1 1 129 129 ALA C C 129 174.016 174.016 175.525 -1.509 19945 18728 1 19 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.593 0.861 19945 18729 1 19 . 1 1 129 129 ALA CB C 129 22.003 22.003 20.164 1.839 19945 18730 1 19 . 1 1 129 129 ALA H H 129 9.155 9.155 8.173 0.982 19945 18731 1 19 . 1 1 130 130 SER N N 130 110.807 110.807 117.156 -6.349 19945 18732 1 19 . 1 1 130 130 SER HA H 130 4.942 4.942 4.549 0.393 19945 18733 1 19 . 1 1 130 130 SER C C 130 176.665 176.665 175.058 1.607 19945 18734 1 19 . 1 1 130 130 SER CA C 130 57.471 57.471 59.437 -1.966 19945 18735 1 19 . 1 1 130 130 SER CB C 130 67.205 67.205 63.879 3.326 19945 18736 1 19 . 1 1 130 130 SER H H 130 8.101 8.101 8.450 -0.349 19945 18737 1 19 . 1 1 131 131 LYS N N 131 129.963 129.963 124.972 4.991 19945 18738 1 19 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.533 -0.084 19945 18739 1 19 . 1 1 131 131 LYS C C 131 176.533 176.533 177.424 -0.891 19945 18740 1 19 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.121 0.779 19945 18741 1 19 . 1 1 131 131 LYS CB C 131 32.629 32.629 33.301 -0.672 19945 18742 1 19 . 1 1 131 131 LYS H H 131 9.690 9.690 8.569 1.121 19945 18743 1 19 . 1 1 132 132 GLY N N 132 107.870 107.870 108.314 -0.444 19945 18744 1 19 . 1 1 132 132 GLY C C 132 173.354 173.354 173.617 -0.263 19945 18745 1 19 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.186 0.460 19945 18746 1 19 . 1 1 132 132 GLY H H 132 9.187 9.187 7.705 1.482 19945 18747 1 19 . 1 1 133 133 LEU N N 133 119.088 119.088 120.540 -1.452 19945 18748 1 19 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.159 0.484 19945 18749 1 19 . 1 1 133 133 LEU C C 133 177.748 177.748 176.986 0.762 19945 18750 1 19 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.837 -0.361 19945 18751 1 19 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.621 -1.117 19945 18752 1 19 . 1 1 133 133 LEU H H 133 7.098 7.098 7.485 -0.387 19945 18753 1 19 . 1 1 134 134 ALA N N 134 125.720 125.720 127.526 -1.806 19945 18754 1 19 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.212 0.025 19945 18755 1 19 . 1 1 134 134 ALA C C 134 176.695 176.695 177.177 -0.482 19945 18756 1 19 . 1 1 134 134 ALA CA C 134 52.288 52.288 53.459 -1.171 19945 18757 1 19 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.102 -0.490 19945 18758 1 19 . 1 1 134 134 ALA H H 134 9.154 9.154 8.938 0.216 19945 18759 1 19 . 1 1 135 135 ASP N N 135 114.952 114.952 115.073 -0.121 19945 18760 1 19 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.725 -0.196 19945 18761 1 19 . 1 1 135 135 ASP C C 135 175.130 175.130 175.531 -0.401 19945 18762 1 19 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.258 -0.298 19945 18763 1 19 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.544 -3.016 19945 18764 1 19 . 1 1 135 135 ASP H H 135 8.299 8.299 7.732 0.567 19945 18765 1 19 . 1 1 136 136 ASP N N 136 114.870 114.870 121.173 -6.303 19945 18766 1 19 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.250 0.085 19945 18767 1 19 . 1 1 136 136 ASP C C 136 176.303 176.303 176.975 -0.672 19945 18768 1 19 . 1 1 136 136 ASP CA C 136 57.844 57.844 57.066 0.778 19945 18769 1 19 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.097 -0.234 19945 18770 1 19 . 1 1 136 136 ASP H H 136 8.433 8.433 8.623 -0.190 19945 18771 1 19 . 1 1 137 137 ASP N N 137 113.709 113.709 117.175 -3.466 19945 18772 1 19 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.635 0.196 19945 18773 1 19 . 1 1 137 137 ASP C C 137 176.514 176.514 174.976 1.538 19945 18774 1 19 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.554 -0.237 19945 18775 1 19 . 1 1 137 137 ASP CB C 137 42.458 42.458 42.139 0.319 19945 18776 1 19 . 1 1 137 137 ASP H H 137 8.232 8.232 8.302 -0.070 19945 18777 1 19 . 1 1 138 138 HIS N N 138 117.829 117.829 117.093 0.736 19945 18778 1 19 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.007 0.275 19945 18779 1 19 . 1 1 138 138 HIS C C 138 175.130 175.130 173.959 1.171 19945 18780 1 19 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.366 1.233 19945 18781 1 19 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.154 -1.154 19945 18782 1 19 . 1 1 138 138 HIS H H 138 7.764 7.764 7.416 0.348 19945 18783 1 19 . 1 1 139 139 PHE N N 139 123.553 123.553 120.950 2.603 19945 18784 1 19 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.803 0.216 19945 18785 1 19 . 1 1 139 139 PHE C C 139 177.477 177.477 177.399 0.078 19945 18786 1 19 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.347 0.212 19945 18787 1 19 . 1 1 139 139 PHE CB C 139 42.872 42.872 40.050 2.822 19945 18788 1 19 . 1 1 139 139 PHE H H 139 9.955 9.955 9.553 0.402 19945 18789 1 19 . 1 1 140 140 VAL N N 140 119.420 119.420 115.360 4.060 19945 18790 1 19 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.123 -0.445 19945 18791 1 19 . 1 1 140 140 VAL C C 140 173.023 173.023 175.500 -2.477 19945 18792 1 19 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.069 -0.952 19945 18793 1 19 . 1 1 140 140 VAL CB C 140 32.536 32.536 31.844 0.692 19945 18794 1 19 . 1 1 140 140 VAL H H 140 9.178 9.178 8.913 0.265 19945 18795 1 19 . 1 1 141 141 GLY N N 141 105.680 105.680 106.496 -0.816 19945 18796 1 19 . 1 1 141 141 GLY C C 141 171.284 171.284 172.821 -1.537 19945 18797 1 19 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.870 -0.149 19945 18798 1 19 . 1 1 141 141 GLY H H 141 6.837 6.837 7.406 -0.569 19945 18799 1 19 . 1 1 142 142 LEU N N 142 118.516 118.516 123.406 -4.890 19945 18800 1 19 . 1 1 142 142 LEU HA H 142 3.047 3.047 4.170 -1.123 19945 18801 1 19 . 1 1 142 142 LEU C C 142 173.725 173.725 174.441 -0.716 19945 18802 1 19 . 1 1 142 142 LEU CA C 142 55.704 55.704 52.932 2.772 19945 18803 1 19 . 1 1 142 142 LEU CB C 142 38.739 38.739 39.989 -1.250 19945 18804 1 19 . 1 1 142 142 LEU H H 142 7.423 7.423 8.118 -0.695 19945 18805 1 19 . 1 1 143 143 ALA N N 143 128.382 128.382 128.888 -0.506 19945 18806 1 19 . 1 1 143 143 ALA HA H 143 4.474 4.474 3.897 0.577 19945 18807 1 19 . 1 1 143 143 ALA C C 143 175.685 175.685 176.580 -0.895 19945 18808 1 19 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.885 -1.254 19945 18809 1 19 . 1 1 143 143 ALA CB C 143 19.847 19.847 18.643 1.204 19945 18810 1 19 . 1 1 143 143 ALA H H 143 5.414 5.414 7.563 -2.149 19945 18811 1 19 . 1 1 144 144 ILE N N 144 126.754 126.754 121.382 5.372 19945 18812 1 19 . 1 1 144 144 ILE HA H 144 4.315 4.315 3.468 0.847 19945 18813 1 19 . 1 1 144 144 ILE C C 144 173.725 173.725 174.548 -0.823 19945 18814 1 19 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.827 -5.106 19945 18815 1 19 . 1 1 144 144 ILE CB C 144 37.630 37.630 38.382 -0.752 19945 18816 1 19 . 1 1 144 144 ILE H H 144 8.849 8.849 7.945 0.904 19945 18817 1 19 . 1 1 145 145 ASP N N 145 125.518 125.518 115.829 9.689 19945 18818 1 19 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.777 1.019 19945 18819 1 19 . 1 1 145 145 ASP C C 145 176.830 176.830 174.811 2.019 19945 18820 1 19 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.630 -1.077 19945 18821 1 19 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.750 -0.248 19945 18822 1 19 . 1 1 145 145 ASP H H 145 8.088 8.088 8.045 0.043 19945 18823 1 19 . 1 1 146 146 GLU N N 146 125.475 125.475 121.684 3.791 19945 18824 1 19 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.947 -0.284 19945 18825 1 19 . 1 1 146 146 GLU C C 146 177.132 177.132 175.486 1.646 19945 18826 1 19 . 1 1 146 146 GLU CA C 146 56.273 56.273 55.849 0.424 19945 18827 1 19 . 1 1 146 146 GLU CB C 146 32.250 32.250 30.310 1.940 19945 18828 1 19 . 1 1 146 146 GLU H H 146 8.390 8.390 8.793 -0.403 19945 18829 1 19 . 1 1 147 147 ASP N N 147 120.137 120.137 118.384 1.753 19945 18830 1 19 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.956 -0.389 19945 18831 1 19 . 1 1 147 147 ASP C C 147 178.126 178.126 176.363 1.763 19945 18832 1 19 . 1 1 147 147 ASP CA C 147 58.001 58.001 55.920 2.081 19945 18833 1 19 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.895 0.355 19945 18834 1 19 . 1 1 147 147 ASP H H 147 8.599 8.599 8.893 -0.294 19945 18835 1 19 . 1 1 148 148 ARG N N 148 115.655 115.655 116.517 -0.862 19945 18836 1 19 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.092 0.606 19945 18837 1 19 . 1 1 148 148 ARG C C 148 177.704 177.704 174.149 3.555 19945 18838 1 19 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.993 -4.033 19945 18839 1 19 . 1 1 148 148 ARG CB C 148 30.814 30.814 32.854 -2.040 19945 18840 1 19 . 1 1 148 148 ARG H H 148 9.762 9.762 8.616 1.146 19945 18841 1 19 . 1 1 149 149 GLN N N 149 116.313 116.313 115.494 0.819 19945 18842 1 19 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.772 0.527 19945 18843 1 19 . 1 1 149 149 GLN C C 149 175.142 175.142 173.327 1.815 19945 18844 1 19 . 1 1 149 149 GLN CA C 149 53.401 53.401 53.453 -0.052 19945 18845 1 19 . 1 1 149 149 GLN CB C 149 30.841 30.841 31.631 -0.790 19945 18846 1 19 . 1 1 149 149 GLN H H 149 7.622 7.622 7.579 0.043 19945 18847 1 19 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.473 0.208 19945 18848 1 19 . 1 1 150 150 PRO C C 150 179.483 179.483 177.007 2.476 19945 18849 1 19 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.630 1.696 19945 18850 1 19 . 1 1 150 150 PRO CB C 150 30.652 30.652 31.152 -0.500 19945 18851 1 19 . 1 1 151 151 GLU N N 151 122.981 122.981 119.538 3.443 19945 18852 1 19 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.133 0.268 19945 18853 1 19 . 1 1 151 151 GLU C C 151 177.041 177.041 177.288 -0.247 19945 18854 1 19 . 1 1 151 151 GLU CA C 151 58.398 58.398 58.408 -0.010 19945 18855 1 19 . 1 1 151 151 GLU CB C 151 27.582 27.582 29.113 -1.531 19945 18856 1 19 . 1 1 151 151 GLU H H 151 10.520 10.520 8.329 2.191 19945 18857 1 19 . 1 1 152 152 LEU N N 152 120.119 120.119 118.324 1.795 19945 18858 1 19 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.783 -0.092 19945 18859 1 19 . 1 1 152 152 LEU C C 152 177.222 177.222 177.117 0.105 19945 18860 1 19 . 1 1 152 152 LEU CA C 152 54.309 54.309 53.489 0.820 19945 18861 1 19 . 1 1 152 152 LEU CB C 152 41.935 41.935 40.986 0.950 19945 18862 1 19 . 1 1 152 152 LEU H H 152 7.589 7.589 7.971 -0.382 19945 18863 1 19 . 1 1 153 153 THR N N 153 119.637 119.637 117.774 1.863 19945 18864 1 19 . 1 1 153 153 THR HA H 153 3.592 3.592 3.847 -0.255 19945 18865 1 19 . 1 1 153 153 THR C C 153 174.178 174.178 175.899 -1.721 19945 18866 1 19 . 1 1 153 153 THR CA C 153 67.960 67.960 67.865 0.095 19945 18867 1 19 . 1 1 153 153 THR CB C 153 69.023 69.023 68.485 0.538 19945 18868 1 19 . 1 1 153 153 THR H H 153 7.469 7.469 7.728 -0.259 19945 18869 1 19 . 1 1 154 154 ALA N N 154 123.665 123.665 122.664 1.001 19945 18870 1 19 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.052 -0.164 19945 18871 1 19 . 1 1 154 154 ALA C C 154 180.417 180.417 179.714 0.703 19945 18872 1 19 . 1 1 154 154 ALA CA C 154 56.538 56.538 55.265 1.273 19945 18873 1 19 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.401 -1.179 19945 18874 1 19 . 1 1 154 154 ALA H H 154 9.077 9.077 8.672 0.405 19945 18875 1 19 . 1 1 155 155 GLU N N 155 119.661 119.661 119.079 0.582 19945 18876 1 19 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.032 0.220 19945 18877 1 19 . 1 1 155 155 GLU C C 155 178.518 178.518 179.414 -0.896 19945 18878 1 19 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.751 -0.933 19945 18879 1 19 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.434 0.273 19945 18880 1 19 . 1 1 155 155 GLU H H 155 8.647 8.647 8.044 0.603 19945 18881 1 19 . 1 1 156 156 ARG N N 156 120.739 120.739 119.253 1.486 19945 18882 1 19 . 1 1 156 156 ARG HA H 156 4.218 4.218 3.853 0.365 19945 18883 1 19 . 1 1 156 156 ARG C C 156 177.252 177.252 178.775 -1.523 19945 18884 1 19 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.850 0.619 19945 18885 1 19 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.115 0.908 19945 18886 1 19 . 1 1 156 156 ARG H H 156 8.129 8.129 8.355 -0.226 19945 18887 1 19 . 1 1 157 157 VAL N N 157 117.372 117.372 116.735 0.637 19945 18888 1 19 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.916 -0.597 19945 18889 1 19 . 1 1 157 157 VAL C C 157 177.192 177.192 177.584 -0.392 19945 18890 1 19 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.409 0.991 19945 18891 1 19 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.438 0.394 19945 18892 1 19 . 1 1 157 157 VAL H H 157 8.578 8.578 8.384 0.194 19945 18893 1 19 . 1 1 158 158 GLU N N 158 118.631 118.631 122.264 -3.633 19945 18894 1 19 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.190 0.007 19945 18895 1 19 . 1 1 158 158 GLU C C 158 179.995 179.995 179.194 0.801 19945 18896 1 19 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.081 -0.343 19945 18897 1 19 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.445 -0.268 19945 18898 1 19 . 1 1 158 158 GLU H H 158 8.046 8.046 7.970 0.076 19945 18899 1 19 . 1 1 159 159 LYS N N 159 118.860 118.860 120.043 -1.183 19945 18900 1 19 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.117 0.069 19945 18901 1 19 . 1 1 159 159 LYS C C 159 179.844 179.844 178.986 0.858 19945 18902 1 19 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.590 0.405 19945 18903 1 19 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.553 1.139 19945 18904 1 19 . 1 1 159 159 LYS H H 159 8.522 8.522 8.248 0.274 19945 18905 1 19 . 1 1 160 160 TRP N N 160 125.100 125.100 122.244 2.856 19945 18906 1 19 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.669 -0.299 19945 18907 1 19 . 1 1 160 160 TRP C C 160 178.006 178.006 178.130 -0.124 19945 18908 1 19 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.479 1.335 19945 18909 1 19 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.397 -0.605 19945 18910 1 19 . 1 1 160 160 TRP H H 160 9.076 9.076 8.539 0.537 19945 18911 1 19 . 1 1 161 161 VAL N N 161 118.402 118.402 119.574 -1.172 19945 18912 1 19 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.252 0.118 19945 18913 1 19 . 1 1 161 161 VAL C C 161 179.392 179.392 178.237 1.155 19945 18914 1 19 . 1 1 161 161 VAL CA C 161 67.004 67.004 67.092 -0.088 19945 18915 1 19 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.397 -1.047 19945 18916 1 19 . 1 1 161 161 VAL H H 161 9.024 9.024 8.550 0.474 19945 18917 1 19 . 1 1 162 162 LYS N N 162 123.209 123.209 119.523 3.686 19945 18918 1 19 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.955 0.046 19945 18919 1 19 . 1 1 162 162 LYS C C 162 178.759 178.759 179.212 -0.453 19945 18920 1 19 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.882 0.490 19945 18921 1 19 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.158 0.206 19945 18922 1 19 . 1 1 162 162 LYS H H 162 7.820 7.820 8.057 -0.237 19945 18923 1 19 . 1 1 163 163 GLN N N 163 121.722 121.722 118.670 3.052 19945 18924 1 19 . 1 1 163 163 GLN HA H 163 4.190 4.190 3.997 0.193 19945 18925 1 19 . 1 1 163 163 GLN C C 163 179.935 179.935 178.595 1.340 19945 18926 1 19 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.996 0.730 19945 18927 1 19 . 1 1 163 163 GLN CB C 163 29.022 29.022 29.158 -0.136 19945 18928 1 19 . 1 1 163 163 GLN H H 163 8.126 8.126 7.955 0.171 19945 18929 1 19 . 1 1 164 164 ILE N N 164 114.390 114.390 116.674 -2.284 19945 18930 1 19 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.626 0.364 19945 18931 1 19 . 1 1 164 164 ILE C C 164 178.156 178.156 177.706 0.450 19945 18932 1 19 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.372 0.804 19945 18933 1 19 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.226 0.452 19945 18934 1 19 . 1 1 164 164 ILE H H 164 9.110 9.110 8.148 0.962 19945 18935 1 19 . 1 1 165 165 SER N N 165 119.660 119.660 117.145 2.515 19945 18936 1 19 . 1 1 165 165 SER HA H 165 3.976 3.976 3.979 -0.003 19945 18937 1 19 . 1 1 165 165 SER C C 165 176.438 176.438 176.617 -0.179 19945 18938 1 19 . 1 1 165 165 SER CA C 165 63.180 63.180 62.936 0.244 19945 18939 1 19 . 1 1 165 165 SER CB C 165 62.383 62.383 62.637 -0.254 19945 18940 1 19 . 1 1 165 165 SER H H 165 8.278 8.278 8.269 0.009 19945 18941 1 19 . 1 1 166 166 GLU N N 166 122.290 122.290 120.927 1.363 19945 18942 1 19 . 1 1 166 166 GLU HA H 166 4.210 4.210 3.983 0.227 19945 18943 1 19 . 1 1 166 166 GLU C C 166 179.965 179.965 178.967 0.998 19945 18944 1 19 . 1 1 166 166 GLU CA C 166 59.195 59.195 59.136 0.059 19945 18945 1 19 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.498 -0.254 19945 18946 1 19 . 1 1 166 166 GLU H H 166 7.345 7.345 7.698 -0.353 19945 18947 1 19 . 1 1 167 167 GLU N N 167 120.787 120.787 119.608 1.179 19945 18948 1 19 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.991 -0.052 19945 18949 1 19 . 1 1 167 167 GLU C C 167 178.518 178.518 178.171 0.347 19945 18950 1 19 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.528 1.472 19945 18951 1 19 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.672 1.128 19945 18952 1 19 . 1 1 167 167 GLU H H 167 8.413 8.413 7.620 0.793 19945 18953 1 19 . 1 1 168 168 LEU N N 168 115.420 115.420 116.006 -0.586 19945 18954 1 19 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.316 -0.179 19945 18955 1 19 . 1 1 168 168 LEU C C 168 175.896 175.896 176.503 -0.607 19945 18956 1 19 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.752 0.028 19945 18957 1 19 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.297 1.003 19945 18958 1 19 . 1 1 168 168 LEU H H 168 8.553 8.553 7.937 0.616 19945 18959 1 19 . 1 1 169 169 HIS N N 169 113.347 113.347 114.248 -0.901 19945 18960 1 19 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.266 0.085 19945 18961 1 19 . 1 1 169 169 HIS C C 169 175.835 175.835 175.215 0.620 19945 18962 1 19 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.400 -1.127 19945 18963 1 19 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.879 -1.157 19945 18964 1 19 . 1 1 169 169 HIS H H 169 7.550 7.550 7.505 0.045 19945 18965 1 19 . 1 1 170 170 LEU N N 170 117.250 117.250 118.047 -0.797 19945 18966 1 19 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.212 -0.209 19945 18967 1 19 . 1 1 170 170 LEU C C 170 178.096 178.096 177.817 0.279 19945 18968 1 19 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.633 1.335 19945 18969 1 19 . 1 1 170 170 LEU CB C 170 41.858 41.858 42.197 -0.339 19945 18970 1 19 . 1 1 170 170 LEU H H 170 8.069 8.069 8.259 -0.190 19945 18971 1 19 . 1 1 171 171 ASP N N 171 117.300 117.300 120.632 -3.332 19945 18972 1 19 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.271 0.064 19945 18973 1 19 . 1 1 171 171 ASP C C 171 177.915 177.915 178.095 -0.180 19945 18974 1 19 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.084 -1.393 19945 18975 1 19 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.742 -0.682 19945 18976 1 19 . 1 1 171 171 ASP H H 171 8.732 8.732 8.340 0.392 19945 18977 1 19 . 1 1 172 172 GLU N N 172 119.203 119.203 116.262 2.941 19945 18978 1 19 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.190 0.037 19945 18979 1 19 . 1 1 172 172 GLU C C 172 178.277 178.277 177.335 0.942 19945 18980 1 19 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.333 -0.201 19945 18981 1 19 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.343 0.657 19945 18982 1 19 . 1 1 172 172 GLU H H 172 7.804 7.804 8.763 -0.959 19945 18983 1 19 . 1 1 173 173 ILE N N 173 119.519 119.519 117.202 2.317 19945 18984 1 19 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.130 -0.077 19945 18985 1 19 . 1 1 173 173 ILE C C 173 178.006 178.006 178.166 -0.160 19945 18986 1 19 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.306 0.294 19945 18987 1 19 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.384 -0.384 19945 18988 1 19 . 1 1 173 173 ILE H H 173 7.787 7.787 7.642 0.145 19945 18989 1 19 . 1 1 174 174 LEU N N 174 121.260 121.260 118.087 3.173 19945 18990 1 19 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.310 -0.024 19945 18991 1 19 . 1 1 174 174 LEU C C 174 177.704 177.704 177.461 0.243 19945 18992 1 19 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.411 -1.138 19945 18993 1 19 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.374 0.085 19945 18994 1 19 . 1 1 174 174 LEU H H 174 8.241 8.241 8.477 -0.236 19945 18995 1 19 . 1 1 175 175 ASN N N 175 118.280 118.280 117.555 0.725 19945 18996 1 19 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.824 0.005 19945 18997 1 19 . 1 1 175 175 ASN C C 175 173.846 173.846 174.971 -1.125 19945 18998 1 19 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.716 1.506 19945 18999 1 19 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.333 -0.062 19945 19000 1 19 . 1 1 175 175 ASN H H 175 7.883 7.883 8.024 -0.141 19945 19001 1 20 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.002 0.250 19945 19002 1 20 . 1 1 2 2 ALA C C 2 174.479 174.479 176.946 -2.467 19945 19003 1 20 . 1 1 2 2 ALA CA C 2 53.468 53.468 53.416 0.052 19945 19004 1 20 . 1 1 2 2 ALA CB C 2 19.167 19.167 18.054 1.113 19945 19005 1 20 . 1 1 3 3 ILE N N 3 116.571 116.571 113.831 2.740 19945 19006 1 20 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.361 0.184 19945 19007 1 20 . 1 1 3 3 ILE C C 3 175.806 175.806 175.611 0.195 19945 19008 1 20 . 1 1 3 3 ILE CA C 3 63.195 63.195 62.299 0.896 19945 19009 1 20 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.585 0.825 19945 19010 1 20 . 1 1 3 3 ILE H H 3 8.456 8.456 8.015 0.441 19945 19011 1 20 . 1 1 4 4 THR N N 4 115.734 115.734 117.837 -2.103 19945 19012 1 20 . 1 1 4 4 THR HA H 4 5.124 5.124 5.007 0.117 19945 19013 1 20 . 1 1 4 4 THR C C 4 172.410 172.410 173.395 -0.985 19945 19014 1 20 . 1 1 4 4 THR CA C 4 61.724 61.724 60.898 0.826 19945 19015 1 20 . 1 1 4 4 THR CB C 4 70.059 70.059 70.598 -0.539 19945 19016 1 20 . 1 1 4 4 THR H H 4 8.244 8.244 7.919 0.325 19945 19017 1 20 . 1 1 5 5 GLY N N 5 116.016 116.016 113.114 2.902 19945 19018 1 20 . 1 1 5 5 GLY C C 5 171.077 171.077 172.202 -1.125 19945 19019 1 20 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.178 0.331 19945 19020 1 20 . 1 1 5 5 GLY H H 5 8.554 8.554 8.548 0.006 19945 19021 1 20 . 1 1 6 6 ILE N N 6 126.504 126.504 127.475 -0.971 19945 19022 1 20 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.714 0.737 19945 19023 1 20 . 1 1 6 6 ILE C C 6 175.245 175.245 174.775 0.470 19945 19024 1 20 . 1 1 6 6 ILE CA C 6 59.918 59.918 61.072 -1.154 19945 19025 1 20 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.293 -0.085 19945 19026 1 20 . 1 1 6 6 ILE H H 6 8.719 8.719 9.179 -0.460 19945 19027 1 20 . 1 1 7 7 PHE N N 7 127.559 127.559 127.191 0.368 19945 19028 1 20 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.510 0.103 19945 19029 1 20 . 1 1 7 7 PHE C C 7 174.634 174.634 175.325 -0.691 19945 19030 1 20 . 1 1 7 7 PHE CA C 7 55.663 55.663 54.172 1.492 19945 19031 1 20 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.382 1.306 19945 19032 1 20 . 1 1 7 7 PHE H H 7 9.609 9.609 9.278 0.331 19945 19033 1 20 . 1 1 8 8 PHE N N 8 120.006 120.006 120.245 -0.239 19945 19034 1 20 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.265 0.959 19945 19035 1 20 . 1 1 8 8 PHE C C 8 171.212 171.212 174.449 -3.237 19945 19036 1 20 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.120 -0.441 19945 19037 1 20 . 1 1 8 8 PHE CB C 8 43.521 43.521 41.815 1.706 19945 19038 1 20 . 1 1 8 8 PHE H H 8 8.545 8.545 8.765 -0.220 19945 19039 1 20 . 1 1 9 9 GLY N N 9 109.650 109.650 109.847 -0.197 19945 19040 1 20 . 1 1 9 9 GLY C C 9 172.512 172.512 172.246 0.266 19945 19041 1 20 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.515 0.803 19945 19042 1 20 . 1 1 9 9 GLY H H 9 7.701 7.701 7.989 -0.288 19945 19043 1 20 . 1 1 10 10 SER N N 10 115.953 115.953 116.446 -0.493 19945 19044 1 20 . 1 1 10 10 SER HA H 10 5.001 5.001 4.822 0.179 19945 19045 1 20 . 1 1 10 10 SER C C 10 173.439 173.439 173.080 0.359 19945 19046 1 20 . 1 1 10 10 SER CA C 10 58.308 58.308 58.187 0.121 19945 19047 1 20 . 1 1 10 10 SER CB C 10 66.423 66.423 66.818 -0.395 19945 19048 1 20 . 1 1 10 10 SER H H 10 8.634 8.634 8.313 0.321 19945 19049 1 20 . 1 1 11 11 ASP N N 11 104.000 104.000 120.214 -16.214 19945 19050 1 20 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.479 0.495 19945 19051 1 20 . 1 1 11 11 ASP C C 11 179.108 179.108 177.083 2.025 19945 19052 1 20 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.763 -0.214 19945 19053 1 20 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.188 -1.088 19945 19054 1 20 . 1 1 11 11 ASP H H 11 11.201 11.201 8.832 2.369 19945 19055 1 20 . 1 1 12 12 THR N N 12 112.000 112.000 113.771 -1.771 19945 19056 1 20 . 1 1 12 12 THR HA H 12 4.804 4.804 4.318 0.486 19945 19057 1 20 . 1 1 12 12 THR C C 12 175.080 175.080 176.014 -0.934 19945 19058 1 20 . 1 1 12 12 THR CA C 12 60.237 60.237 62.741 -2.504 19945 19059 1 20 . 1 1 12 12 THR CB C 12 68.567 68.567 69.069 -0.502 19945 19060 1 20 . 1 1 12 12 THR H H 12 9.311 9.311 8.149 1.162 19945 19061 1 20 . 1 1 13 13 GLY N N 13 112.221 112.221 109.679 2.542 19945 19062 1 20 . 1 1 13 13 GLY C C 13 176.690 176.690 175.022 1.668 19945 19063 1 20 . 1 1 13 13 GLY CA C 13 46.300 46.300 44.787 1.513 19945 19064 1 20 . 1 1 13 13 GLY H H 13 8.000 8.000 8.336 -0.336 19945 19065 1 20 . 1 1 14 14 ASN N N 14 128.520 128.520 119.077 9.443 19945 19066 1 20 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.492 0.134 19945 19067 1 20 . 1 1 14 14 ASN C C 14 178.888 178.888 176.950 1.938 19945 19068 1 20 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.485 1.579 19945 19069 1 20 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.529 -1.695 19945 19070 1 20 . 1 1 14 14 ASN H H 14 11.112 11.112 8.456 2.656 19945 19071 1 20 . 1 1 15 15 THR N N 15 122.550 122.550 115.625 6.925 19945 19072 1 20 . 1 1 15 15 THR HA H 15 4.369 4.369 4.047 0.322 19945 19073 1 20 . 1 1 15 15 THR C C 15 176.786 176.786 175.747 1.039 19945 19074 1 20 . 1 1 15 15 THR CA C 15 67.325 67.325 65.667 1.658 19945 19075 1 20 . 1 1 15 15 THR CB C 15 67.961 67.961 68.220 -0.259 19945 19076 1 20 . 1 1 15 15 THR H H 15 11.327 11.327 7.794 3.533 19945 19077 1 20 . 1 1 16 16 GLU N N 16 120.578 120.578 122.237 -1.659 19945 19078 1 20 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.418 -0.131 19945 19079 1 20 . 1 1 16 16 GLU C C 16 176.642 176.642 177.901 -1.259 19945 19080 1 20 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.409 -0.340 19945 19081 1 20 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.891 -0.514 19945 19082 1 20 . 1 1 16 16 GLU H H 16 6.590 6.590 7.655 -1.065 19945 19083 1 20 . 1 1 17 17 ASN N N 17 118.000 118.000 118.023 -0.023 19945 19084 1 20 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.443 -0.133 19945 19085 1 20 . 1 1 17 17 ASN C C 17 178.255 178.255 177.756 0.499 19945 19086 1 20 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.778 0.523 19945 19087 1 20 . 1 1 17 17 ASN CB C 17 37.638 37.638 37.940 -0.301 19945 19088 1 20 . 1 1 17 17 ASN H H 17 7.705 7.705 7.580 0.125 19945 19089 1 20 . 1 1 18 18 ILE N N 18 119.430 119.430 119.823 -0.393 19945 19090 1 20 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.800 -0.148 19945 19091 1 20 . 1 1 18 18 ILE C C 18 177.564 177.564 177.787 -0.223 19945 19092 1 20 . 1 1 18 18 ILE CA C 18 62.500 62.500 62.821 -0.321 19945 19093 1 20 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.452 -1.901 19945 19094 1 20 . 1 1 18 18 ILE H H 18 8.141 8.141 7.290 0.851 19945 19095 1 20 . 1 1 19 19 ALA N N 19 123.208 123.208 122.776 0.432 19945 19096 1 20 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.919 -0.250 19945 19097 1 20 . 1 1 19 19 ALA C C 19 178.888 178.888 179.611 -0.723 19945 19098 1 20 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.596 0.059 19945 19099 1 20 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.130 0.686 19945 19100 1 20 . 1 1 19 19 ALA H H 19 8.304 8.304 8.518 -0.214 19945 19101 1 20 . 1 1 20 20 LYS N N 20 116.460 116.460 118.914 -2.454 19945 19102 1 20 . 1 1 20 20 LYS HA H 20 3.816 3.816 4.048 -0.232 19945 19103 1 20 . 1 1 20 20 LYS C C 20 179.666 179.666 179.130 0.536 19945 19104 1 20 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.372 0.450 19945 19105 1 20 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.351 -0.253 19945 19106 1 20 . 1 1 20 20 LYS H H 20 7.722 7.722 7.918 -0.196 19945 19107 1 20 . 1 1 21 21 MET N N 21 123.880 123.880 119.080 4.800 19945 19108 1 20 . 1 1 21 21 MET HA H 21 3.946 3.946 4.041 -0.095 19945 19109 1 20 . 1 1 21 21 MET C C 21 179.435 179.435 178.812 0.623 19945 19110 1 20 . 1 1 21 21 MET CA C 21 59.662 59.662 59.309 0.353 19945 19111 1 20 . 1 1 21 21 MET CB C 21 34.262 34.262 32.550 1.712 19945 19112 1 20 . 1 1 21 21 MET H H 21 8.336 8.336 8.101 0.235 19945 19113 1 20 . 1 1 22 22 ILE N N 22 122.065 122.065 120.035 2.030 19945 19114 1 20 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.550 -0.305 19945 19115 1 20 . 1 1 22 22 ILE C C 22 177.592 177.592 177.671 -0.079 19945 19116 1 20 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.532 0.192 19945 19117 1 20 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.592 0.085 19945 19118 1 20 . 1 1 22 22 ILE H H 22 8.500 8.500 8.072 0.428 19945 19119 1 20 . 1 1 23 23 GLN N N 23 119.264 119.264 119.942 -0.678 19945 19120 1 20 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.871 -0.427 19945 19121 1 20 . 1 1 23 23 GLN C C 23 177.017 177.017 178.128 -1.111 19945 19122 1 20 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.417 0.274 19945 19123 1 20 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.756 -0.908 19945 19124 1 20 . 1 1 23 23 GLN H H 23 7.985 7.985 8.506 -0.521 19945 19125 1 20 . 1 1 24 24 LYS N N 24 118.970 118.970 119.248 -0.278 19945 19126 1 20 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.002 -0.082 19945 19127 1 20 . 1 1 24 24 LYS C C 24 178.427 178.427 179.055 -0.628 19945 19128 1 20 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.749 0.411 19945 19129 1 20 . 1 1 24 24 LYS CB C 24 32.364 32.364 32.049 0.315 19945 19130 1 20 . 1 1 24 24 LYS H H 24 7.942 7.942 8.269 -0.327 19945 19131 1 20 . 1 1 25 25 GLN N N 25 118.400 118.400 118.026 0.374 19945 19132 1 20 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.085 -0.082 19945 19133 1 20 . 1 1 25 25 GLN C C 25 178.226 178.226 177.932 0.294 19945 19134 1 20 . 1 1 25 25 GLN CA C 25 58.083 58.083 58.081 0.002 19945 19135 1 20 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.720 0.190 19945 19136 1 20 . 1 1 25 25 GLN H H 25 7.636 7.636 7.573 0.063 19945 19137 1 20 . 1 1 26 26 LEU N N 26 119.080 119.080 118.024 1.056 19945 19138 1 20 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.140 -0.121 19945 19139 1 20 . 1 1 26 26 LEU C C 26 177.247 177.247 176.971 0.276 19945 19140 1 20 . 1 1 26 26 LEU CA C 26 57.069 57.069 56.116 0.953 19945 19141 1 20 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.871 0.278 19945 19142 1 20 . 1 1 26 26 LEU H H 26 8.098 8.098 7.827 0.271 19945 19143 1 20 . 1 1 27 27 GLY N N 27 107.750 107.750 104.254 3.496 19945 19144 1 20 . 1 1 27 27 GLY C C 27 175.231 175.231 174.750 0.481 19945 19145 1 20 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.576 -0.516 19945 19146 1 20 . 1 1 27 27 GLY H H 27 8.050 8.050 7.789 0.261 19945 19147 1 20 . 1 1 28 28 LYS N N 28 125.187 125.187 123.100 2.087 19945 19148 1 20 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.226 -0.003 19945 19149 1 20 . 1 1 28 28 LYS C C 28 176.372 176.372 177.033 -0.661 19945 19150 1 20 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.081 0.848 19945 19151 1 20 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.312 -0.214 19945 19152 1 20 . 1 1 28 28 LYS H H 28 8.786 8.786 8.591 0.195 19945 19153 1 20 . 1 1 29 29 ASP N N 29 115.960 115.960 116.381 -0.421 19945 19154 1 20 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.556 0.019 19945 19155 1 20 . 1 1 29 29 ASP C C 29 176.437 176.437 177.186 -0.749 19945 19156 1 20 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.336 -1.126 19945 19157 1 20 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.782 -0.980 19945 19158 1 20 . 1 1 29 29 ASP H H 29 8.919 8.919 8.428 0.491 19945 19159 1 20 . 1 1 30 30 VAL N N 30 120.609 120.609 118.449 2.160 19945 19160 1 20 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.000 0.056 19945 19161 1 20 . 1 1 30 30 VAL C C 30 174.656 174.656 174.964 -0.308 19945 19162 1 20 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.373 0.347 19945 19163 1 20 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.789 0.049 19945 19164 1 20 . 1 1 30 30 VAL H H 30 7.573 7.573 7.486 0.087 19945 19165 1 20 . 1 1 31 31 ALA N N 31 123.100 123.100 119.226 3.874 19945 19166 1 20 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.231 0.300 19945 19167 1 20 . 1 1 31 31 ALA C C 31 175.174 175.174 174.851 0.323 19945 19168 1 20 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.415 -0.253 19945 19169 1 20 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.527 0.804 19945 19170 1 20 . 1 1 31 31 ALA H H 31 7.951 7.951 8.107 -0.156 19945 19171 1 20 . 1 1 32 32 ASP N N 32 121.576 121.576 119.849 1.727 19945 19172 1 20 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.120 -0.251 19945 19173 1 20 . 1 1 32 32 ASP C C 32 174.771 174.771 174.254 0.517 19945 19174 1 20 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.089 0.323 19945 19175 1 20 . 1 1 32 32 ASP CB C 32 43.787 43.787 45.438 -1.651 19945 19176 1 20 . 1 1 32 32 ASP H H 32 8.175 8.175 8.709 -0.534 19945 19177 1 20 . 1 1 33 33 VAL N N 33 120.428 120.428 121.701 -1.273 19945 19178 1 20 . 1 1 33 33 VAL HA H 33 4.657 4.657 5.378 -0.721 19945 19179 1 20 . 1 1 33 33 VAL C C 33 174.252 174.252 175.414 -1.162 19945 19180 1 20 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.315 -0.012 19945 19181 1 20 . 1 1 33 33 VAL CB C 33 33.876 33.876 34.372 -0.496 19945 19182 1 20 . 1 1 33 33 VAL H H 33 8.397 8.397 8.484 -0.087 19945 19183 1 20 . 1 1 34 34 HIS N N 34 125.285 125.285 125.636 -0.351 19945 19184 1 20 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.959 -0.406 19945 19185 1 20 . 1 1 34 34 HIS C C 34 171.920 171.920 172.715 -0.795 19945 19186 1 20 . 1 1 34 34 HIS CA C 34 53.571 53.571 55.011 -1.440 19945 19187 1 20 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.841 -1.421 19945 19188 1 20 . 1 1 34 34 HIS H H 34 8.945 8.945 9.733 -0.788 19945 19189 1 20 . 1 1 35 35 ASP N N 35 124.120 124.120 117.584 6.536 19945 19190 1 20 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.715 -1.418 19945 19191 1 20 . 1 1 35 35 ASP C C 35 179.780 179.780 176.324 3.456 19945 19192 1 20 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.167 -0.411 19945 19193 1 20 . 1 1 35 35 ASP CB C 35 41.396 41.396 43.161 -1.765 19945 19194 1 20 . 1 1 35 35 ASP H H 35 8.589 8.589 8.016 0.573 19945 19195 1 20 . 1 1 36 36 ILE N N 36 106.681 106.681 122.874 -16.193 19945 19196 1 20 . 1 1 36 36 ILE HA H 36 3.554 3.554 2.970 0.584 19945 19197 1 20 . 1 1 36 36 ILE C C 36 175.404 175.404 175.572 -0.168 19945 19198 1 20 . 1 1 36 36 ILE CA C 36 59.350 59.350 61.657 -2.307 19945 19199 1 20 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.074 2.197 19945 19200 1 20 . 1 1 36 36 ILE H H 36 9.705 9.705 8.547 1.158 19945 19201 1 20 . 1 1 37 37 ALA N N 37 123.095 123.095 119.974 3.121 19945 19202 1 20 . 1 1 37 37 ALA HA H 37 4.089 4.089 3.917 0.172 19945 19203 1 20 . 1 1 37 37 ALA C C 37 178.140 178.140 178.386 -0.246 19945 19204 1 20 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.040 -0.424 19945 19205 1 20 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.674 0.672 19945 19206 1 20 . 1 1 37 37 ALA H H 37 8.261 8.261 7.832 0.429 19945 19207 1 20 . 1 1 38 38 LYS N N 38 115.312 115.312 115.637 -0.325 19945 19208 1 20 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.128 0.483 19945 19209 1 20 . 1 1 38 38 LYS C C 38 176.498 176.498 177.299 -0.801 19945 19210 1 20 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.598 -2.451 19945 19211 1 20 . 1 1 38 38 LYS CB C 38 33.426 33.426 33.040 0.386 19945 19212 1 20 . 1 1 38 38 LYS H H 38 7.437 7.437 7.512 -0.075 19945 19213 1 20 . 1 1 39 39 SER N N 39 115.623 115.623 116.101 -0.478 19945 19214 1 20 . 1 1 39 39 SER HA H 39 5.019 5.019 4.098 0.921 19945 19215 1 20 . 1 1 39 39 SER C C 39 171.402 171.402 173.268 -1.866 19945 19216 1 20 . 1 1 39 39 SER CA C 39 58.929 58.929 59.363 -0.434 19945 19217 1 20 . 1 1 39 39 SER CB C 39 65.538 65.538 63.349 2.189 19945 19218 1 20 . 1 1 39 39 SER H H 39 7.051 7.051 7.277 -0.226 19945 19219 1 20 . 1 1 40 40 SER N N 40 118.860 118.860 115.460 3.400 19945 19220 1 20 . 1 1 40 40 SER HA H 40 5.025 5.025 4.880 0.145 19945 19221 1 20 . 1 1 40 40 SER C C 40 174.741 174.741 174.673 0.068 19945 19222 1 20 . 1 1 40 40 SER CA C 40 56.003 56.003 56.903 -0.900 19945 19223 1 20 . 1 1 40 40 SER CB C 40 67.416 67.416 66.566 0.850 19945 19224 1 20 . 1 1 40 40 SER H H 40 9.377 9.377 8.316 1.061 19945 19225 1 20 . 1 1 41 41 LYS N N 41 122.504 122.504 123.786 -1.282 19945 19226 1 20 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.124 -0.386 19945 19227 1 20 . 1 1 41 41 LYS C C 41 177.391 177.391 178.370 -0.979 19945 19228 1 20 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.924 1.049 19945 19229 1 20 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.492 0.815 19945 19230 1 20 . 1 1 41 41 LYS H H 41 9.098 9.098 8.908 0.190 19945 19231 1 20 . 1 1 42 42 GLU N N 42 115.836 115.836 115.460 0.376 19945 19232 1 20 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.339 -0.211 19945 19233 1 20 . 1 1 42 42 GLU C C 42 178.773 178.773 178.138 0.635 19945 19234 1 20 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.224 1.768 19945 19235 1 20 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.324 -0.680 19945 19236 1 20 . 1 1 42 42 GLU H H 42 8.839 8.839 8.676 0.163 19945 19237 1 20 . 1 1 43 43 ASP N N 43 119.589 119.589 121.046 -1.457 19945 19238 1 20 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.502 -0.016 19945 19239 1 20 . 1 1 43 43 ASP C C 43 177.564 177.564 178.215 -0.651 19945 19240 1 20 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.817 0.784 19945 19241 1 20 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.912 -0.106 19945 19242 1 20 . 1 1 43 43 ASP H H 43 7.794 7.794 7.774 0.020 19945 19243 1 20 . 1 1 44 44 LEU N N 44 118.745 118.745 119.924 -1.179 19945 19244 1 20 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.302 -0.331 19945 19245 1 20 . 1 1 44 44 LEU C C 44 178.600 178.600 178.488 0.112 19945 19246 1 20 . 1 1 44 44 LEU CA C 44 59.882 59.882 58.404 1.478 19945 19247 1 20 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.135 0.589 19945 19248 1 20 . 1 1 44 44 LEU H H 44 6.854 6.854 7.947 -1.093 19945 19249 1 20 . 1 1 45 45 GLU N N 45 114.280 114.280 116.467 -2.187 19945 19250 1 20 . 1 1 45 45 GLU HA H 45 3.627 3.627 3.905 -0.278 19945 19251 1 20 . 1 1 45 45 GLU C C 45 176.988 176.988 178.530 -1.542 19945 19252 1 20 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.742 -0.066 19945 19253 1 20 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.659 0.579 19945 19254 1 20 . 1 1 45 45 GLU H H 45 7.571 7.571 7.604 -0.033 19945 19255 1 20 . 1 1 46 46 ALA N N 46 118.860 118.860 121.661 -2.801 19945 19256 1 20 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.253 -0.215 19945 19257 1 20 . 1 1 46 46 ALA C C 46 176.901 176.901 178.060 -1.159 19945 19258 1 20 . 1 1 46 46 ALA CA C 46 53.319 53.319 52.641 0.678 19945 19259 1 20 . 1 1 46 46 ALA CB C 46 19.081 19.081 19.212 -0.131 19945 19260 1 20 . 1 1 46 46 ALA H H 46 7.026 7.026 7.321 -0.295 19945 19261 1 20 . 1 1 47 47 TYR N N 47 115.674 115.674 117.953 -2.279 19945 19262 1 20 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.365 0.366 19945 19263 1 20 . 1 1 47 47 TYR C C 47 175.807 175.807 175.752 0.055 19945 19264 1 20 . 1 1 47 47 TYR CA C 47 57.607 57.607 60.279 -2.672 19945 19265 1 20 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.281 2.381 19945 19266 1 20 . 1 1 47 47 TYR H H 47 7.277 7.277 7.653 -0.376 19945 19267 1 20 . 1 1 48 48 ASP N N 48 121.598 121.598 120.492 1.106 19945 19268 1 20 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.892 0.016 19945 19269 1 20 . 1 1 48 48 ASP C C 48 175.030 175.030 175.578 -0.548 19945 19270 1 20 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.033 0.175 19945 19271 1 20 . 1 1 48 48 ASP CB C 48 41.646 41.646 43.056 -1.409 19945 19272 1 20 . 1 1 48 48 ASP H H 48 9.546 9.546 8.832 0.714 19945 19273 1 20 . 1 1 49 49 ILE N N 49 119.608 119.608 120.275 -0.667 19945 19274 1 20 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.043 0.251 19945 19275 1 20 . 1 1 49 49 ILE C C 49 175.059 175.059 174.308 0.751 19945 19276 1 20 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.528 0.002 19945 19277 1 20 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.034 0.034 19945 19278 1 20 . 1 1 49 49 ILE H H 49 7.331 7.331 7.637 -0.306 19945 19279 1 20 . 1 1 50 50 LEU N N 50 127.901 127.901 127.245 0.656 19945 19280 1 20 . 1 1 50 50 LEU HA H 50 5.660 5.660 4.905 0.755 19945 19281 1 20 . 1 1 50 50 LEU C C 50 174.598 174.598 175.089 -0.491 19945 19282 1 20 . 1 1 50 50 LEU CA C 50 52.819 52.819 52.818 0.001 19945 19283 1 20 . 1 1 50 50 LEU CB C 50 48.037 48.037 43.897 4.140 19945 19284 1 20 . 1 1 50 50 LEU H H 50 9.095 9.095 8.872 0.223 19945 19285 1 20 . 1 1 51 51 LEU N N 51 123.440 123.440 124.863 -1.423 19945 19286 1 20 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.316 0.716 19945 19287 1 20 . 1 1 51 51 LEU C C 51 175.894 175.894 175.270 0.624 19945 19288 1 20 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.041 -0.730 19945 19289 1 20 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.851 -0.533 19945 19290 1 20 . 1 1 51 51 LEU H H 51 9.275 9.275 9.022 0.253 19945 19291 1 20 . 1 1 52 52 LEU N N 52 123.320 123.320 125.359 -2.039 19945 19292 1 20 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.420 0.236 19945 19293 1 20 . 1 1 52 52 LEU C C 52 173.763 173.763 176.013 -2.250 19945 19294 1 20 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.393 -0.516 19945 19295 1 20 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.834 -2.348 19945 19296 1 20 . 1 1 52 52 LEU H H 52 9.024 9.024 9.083 -0.059 19945 19297 1 20 . 1 1 53 53 GLY N N 53 110.739 110.739 112.096 -1.357 19945 19298 1 20 . 1 1 53 53 GLY C C 53 174.530 174.530 171.542 2.988 19945 19299 1 20 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.254 -0.265 19945 19300 1 20 . 1 1 53 53 GLY H H 53 9.283 9.283 9.234 0.049 19945 19301 1 20 . 1 1 54 54 ILE N N 54 126.032 126.032 124.962 1.070 19945 19302 1 20 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.156 1.050 19945 19303 1 20 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.715 -0.708 19945 19304 1 20 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.941 1.050 19945 19305 1 20 . 1 1 54 54 ILE H H 54 9.136 9.136 8.421 0.715 19945 19306 1 20 . 1 1 55 55 PRO HA H 55 5.317 5.317 5.000 0.317 19945 19307 1 20 . 1 1 55 55 PRO C C 55 174.771 174.771 176.413 -1.642 19945 19308 1 20 . 1 1 55 55 PRO CA C 55 61.748 61.748 62.069 -0.321 19945 19309 1 20 . 1 1 55 55 PRO CB C 55 33.014 33.014 33.337 -0.323 19945 19310 1 20 . 1 1 56 56 THR N N 56 113.710 113.710 112.907 0.803 19945 19311 1 20 . 1 1 56 56 THR HA H 56 4.582 4.582 5.003 -0.421 19945 19312 1 20 . 1 1 56 56 THR C C 56 171.719 171.719 172.915 -1.196 19945 19313 1 20 . 1 1 56 56 THR CA C 56 62.383 62.383 61.888 0.495 19945 19314 1 20 . 1 1 56 56 THR CB C 56 69.692 69.692 72.147 -2.455 19945 19315 1 20 . 1 1 56 56 THR H H 56 6.599 6.599 7.805 -1.206 19945 19316 1 20 . 1 1 57 57 TRP N N 57 130.050 130.050 122.394 7.656 19945 19317 1 20 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.581 -1.955 19945 19318 1 20 . 1 1 57 57 TRP C C 57 172.611 172.611 175.314 -2.703 19945 19319 1 20 . 1 1 57 57 TRP CA C 57 56.275 56.275 57.131 -0.856 19945 19320 1 20 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.097 2.657 19945 19321 1 20 . 1 1 57 57 TRP H H 57 8.865 8.865 8.884 -0.019 19945 19322 1 20 . 1 1 58 58 TYR N N 58 112.793 112.793 116.552 -3.759 19945 19323 1 20 . 1 1 58 58 TYR HA H 58 4.216 4.216 4.021 0.195 19945 19324 1 20 . 1 1 58 58 TYR C C 58 173.619 173.619 175.281 -1.662 19945 19325 1 20 . 1 1 58 58 TYR CA C 58 59.200 59.200 60.740 -1.540 19945 19326 1 20 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.605 -0.405 19945 19327 1 20 . 1 1 58 58 TYR H H 58 5.730 5.730 8.459 -2.729 19945 19328 1 20 . 1 1 59 59 TYR N N 59 112.220 112.220 115.733 -3.513 19945 19329 1 20 . 1 1 59 59 TYR HA H 59 3.395 3.395 4.377 -0.982 19945 19330 1 20 . 1 1 59 59 TYR C C 59 175.865 175.865 174.177 1.688 19945 19331 1 20 . 1 1 59 59 TYR CA C 59 59.460 59.460 56.404 3.056 19945 19332 1 20 . 1 1 59 59 TYR CB C 59 33.610 33.610 38.261 -4.651 19945 19333 1 20 . 1 1 59 59 TYR H H 59 7.661 7.661 7.610 0.051 19945 19334 1 20 . 1 1 60 60 GLY N N 60 104.550 104.550 107.879 -3.329 19945 19335 1 20 . 1 1 60 60 GLY C C 60 174.483 174.483 174.632 -0.149 19945 19336 1 20 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.303 0.875 19945 19337 1 20 . 1 1 60 60 GLY H H 60 8.142 8.142 7.817 0.325 19945 19338 1 20 . 1 1 61 61 GLU N N 61 120.991 120.991 120.077 0.914 19945 19339 1 20 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.578 -0.140 19945 19340 1 20 . 1 1 61 61 GLU C C 61 175.548 175.548 175.774 -0.226 19945 19341 1 20 . 1 1 61 61 GLU CA C 61 55.476 55.476 55.008 0.468 19945 19342 1 20 . 1 1 61 61 GLU CB C 61 30.500 30.500 31.110 -0.610 19945 19343 1 20 . 1 1 61 61 GLU H H 61 8.307 8.307 8.059 0.248 19945 19344 1 20 . 1 1 62 62 ALA N N 62 122.750 122.750 124.371 -1.621 19945 19345 1 20 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.483 -0.277 19945 19346 1 20 . 1 1 62 62 ALA C C 62 176.671 176.671 177.234 -0.563 19945 19347 1 20 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.700 0.110 19945 19348 1 20 . 1 1 62 62 ALA CB C 62 21.206 21.206 19.991 1.214 19945 19349 1 20 . 1 1 62 62 ALA H H 62 8.722 8.722 8.573 0.149 19945 19350 1 20 . 1 1 63 63 GLN N N 63 120.579 120.579 117.068 3.511 19945 19351 1 20 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.234 -0.348 19945 19352 1 20 . 1 1 63 63 GLN C C 63 176.757 176.757 177.258 -0.501 19945 19353 1 20 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.503 2.106 19945 19354 1 20 . 1 1 63 63 GLN H H 63 6.302 6.302 8.483 -2.181 19945 19355 1 20 . 1 1 64 64 CYS N N 64 125.487 125.487 120.729 4.758 19945 19356 1 20 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.058 0.053 19945 19357 1 20 . 1 1 64 64 CYS C C 64 174.972 174.972 176.342 -1.370 19945 19358 1 20 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.640 -1.151 19945 19359 1 20 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.630 -0.048 19945 19360 1 20 . 1 1 64 64 CYS H H 64 9.091 9.091 8.824 0.267 19945 19361 1 20 . 1 1 65 65 ASP N N 65 120.298 120.298 120.523 -0.225 19945 19362 1 20 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.426 -0.027 19945 19363 1 20 . 1 1 65 65 ASP C C 65 179.000 179.000 178.543 0.457 19945 19364 1 20 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.250 0.882 19945 19365 1 20 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.402 0.821 19945 19366 1 20 . 1 1 65 65 ASP H H 65 7.093 7.093 7.832 -0.739 19945 19367 1 20 . 1 1 66 66 TRP N N 66 122.608 122.608 121.177 1.431 19945 19368 1 20 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.020 0.196 19945 19369 1 20 . 1 1 66 66 TRP C C 66 176.930 176.930 177.623 -0.693 19945 19370 1 20 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.590 0.933 19945 19371 1 20 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.413 0.548 19945 19372 1 20 . 1 1 66 66 TRP H H 66 7.394 7.394 9.139 -1.745 19945 19373 1 20 . 1 1 67 67 ASP N N 67 118.860 118.860 118.316 0.544 19945 19374 1 20 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.951 -0.426 19945 19375 1 20 . 1 1 67 67 ASP C C 67 179.579 179.579 177.642 1.937 19945 19376 1 20 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.162 0.179 19945 19377 1 20 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.728 1.672 19945 19378 1 20 . 1 1 67 67 ASP H H 67 8.087 8.087 7.884 0.203 19945 19379 1 20 . 1 1 68 68 ASP N N 68 116.220 116.220 118.784 -2.564 19945 19380 1 20 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.423 -0.068 19945 19381 1 20 . 1 1 68 68 ASP C C 68 176.873 176.873 177.250 -0.377 19945 19382 1 20 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.163 0.092 19945 19383 1 20 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.151 -0.344 19945 19384 1 20 . 1 1 68 68 ASP H H 68 8.056 8.056 7.907 0.149 19945 19385 1 20 . 1 1 69 69 PHE N N 69 120.493 120.493 118.079 2.414 19945 19386 1 20 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.315 0.048 19945 19387 1 20 . 1 1 69 69 PHE C C 69 177.103 177.103 176.224 0.879 19945 19388 1 20 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.540 -0.611 19945 19389 1 20 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.908 1.622 19945 19390 1 20 . 1 1 69 69 PHE H H 69 7.659 7.659 7.459 0.200 19945 19391 1 20 . 1 1 70 70 PHE N N 70 122.293 122.293 119.801 2.492 19945 19392 1 20 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.272 0.746 19945 19393 1 20 . 1 1 70 70 PHE C C 70 174.396 174.396 174.650 -0.254 19945 19394 1 20 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.698 -2.575 19945 19395 1 20 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.452 -0.697 19945 19396 1 20 . 1 1 70 70 PHE H H 70 8.197 8.197 8.343 -0.146 19945 19397 1 20 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.511 -0.113 19945 19398 1 20 . 1 1 71 71 PRO C C 71 179.118 179.118 177.489 1.629 19945 19399 1 20 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.780 1.587 19945 19400 1 20 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.164 -0.234 19945 19401 1 20 . 1 1 72 72 THR N N 72 114.461 114.461 113.912 0.549 19945 19402 1 20 . 1 1 72 72 THR HA H 72 3.816 3.816 4.108 -0.292 19945 19403 1 20 . 1 1 72 72 THR C C 72 176.498 176.498 176.466 0.032 19945 19404 1 20 . 1 1 72 72 THR CA C 72 65.803 65.803 64.429 1.374 19945 19405 1 20 . 1 1 72 72 THR CB C 72 67.203 67.203 68.823 -1.620 19945 19406 1 20 . 1 1 72 72 THR H H 72 7.534 7.534 7.473 0.061 19945 19407 1 20 . 1 1 73 73 LEU N N 73 124.812 124.812 123.592 1.220 19945 19408 1 20 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.120 -0.030 19945 19409 1 20 . 1 1 73 73 LEU C C 73 177.996 177.996 178.283 -0.287 19945 19410 1 20 . 1 1 73 73 LEU CA C 73 58.151 58.151 57.920 0.231 19945 19411 1 20 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.159 1.627 19945 19412 1 20 . 1 1 73 73 LEU H H 73 8.123 8.123 8.139 -0.016 19945 19413 1 20 . 1 1 74 74 GLU N N 74 111.877 111.877 116.708 -4.831 19945 19414 1 20 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.113 -0.288 19945 19415 1 20 . 1 1 74 74 GLU C C 74 176.930 176.930 177.216 -0.286 19945 19416 1 20 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.466 -0.791 19945 19417 1 20 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.028 0.993 19945 19418 1 20 . 1 1 74 74 GLU H H 74 7.933 7.933 7.949 -0.016 19945 19419 1 20 . 1 1 75 75 GLU N N 75 116.571 116.571 117.077 -0.506 19945 19420 1 20 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.239 0.108 19945 19421 1 20 . 1 1 75 75 GLU C C 75 177.045 177.045 176.816 0.229 19945 19422 1 20 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.184 -0.158 19945 19423 1 20 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.167 0.342 19945 19424 1 20 . 1 1 75 75 GLU H H 75 7.659 7.659 7.699 -0.040 19945 19425 1 20 . 1 1 76 76 ILE N N 76 123.080 123.080 121.308 1.772 19945 19426 1 20 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.923 -0.146 19945 19427 1 20 . 1 1 76 76 ILE C C 76 174.656 174.656 175.074 -0.418 19945 19428 1 20 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.271 0.803 19945 19429 1 20 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.672 0.333 19945 19430 1 20 . 1 1 76 76 ILE H H 76 7.468 7.468 7.299 0.169 19945 19431 1 20 . 1 1 77 77 ASP N N 77 126.540 126.540 124.933 1.607 19945 19432 1 20 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.573 0.240 19945 19433 1 20 . 1 1 77 77 ASP C C 77 176.614 176.614 175.164 1.450 19945 19434 1 20 . 1 1 77 77 ASP CA C 77 53.141 53.141 54.303 -1.162 19945 19435 1 20 . 1 1 77 77 ASP CB C 77 40.865 40.865 41.543 -0.678 19945 19436 1 20 . 1 1 77 77 ASP H H 77 8.605 8.605 8.221 0.384 19945 19437 1 20 . 1 1 78 78 PHE N N 78 124.583 124.583 123.053 1.530 19945 19438 1 20 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.689 -0.529 19945 19439 1 20 . 1 1 78 78 PHE C C 78 175.347 175.347 175.154 0.193 19945 19440 1 20 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.812 2.330 19945 19441 1 20 . 1 1 78 78 PHE CB C 78 40.168 40.168 40.204 -0.036 19945 19442 1 20 . 1 1 78 78 PHE H H 78 8.053 8.053 8.059 -0.006 19945 19443 1 20 . 1 1 79 79 ASN N N 79 121.321 121.321 120.803 0.518 19945 19444 1 20 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.547 -0.030 19945 19445 1 20 . 1 1 79 79 ASN C C 79 176.815 176.815 176.489 0.326 19945 19446 1 20 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.278 1.175 19945 19447 1 20 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.201 0.538 19945 19448 1 20 . 1 1 79 79 ASN H H 79 8.695 8.695 8.532 0.163 19945 19449 1 20 . 1 1 80 80 GLY N N 80 114.150 114.150 112.780 1.370 19945 19450 1 20 . 1 1 80 80 GLY C C 80 174.195 174.195 174.632 -0.437 19945 19451 1 20 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.454 0.192 19945 19452 1 20 . 1 1 80 80 GLY H H 80 8.646 8.646 8.435 0.211 19945 19453 1 20 . 1 1 81 81 LYS N N 81 119.318 119.318 121.360 -2.042 19945 19454 1 20 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.349 0.688 19945 19455 1 20 . 1 1 81 81 LYS C C 81 176.268 176.268 175.803 0.465 19945 19456 1 20 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.548 -0.552 19945 19457 1 20 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.978 -0.023 19945 19458 1 20 . 1 1 81 81 LYS H H 81 8.295 8.295 8.006 0.289 19945 19459 1 20 . 1 1 82 82 LEU N N 82 127.000 127.000 122.452 4.548 19945 19460 1 20 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.090 0.140 19945 19461 1 20 . 1 1 82 82 LEU C C 82 175.347 175.347 176.063 -0.716 19945 19462 1 20 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.186 -0.382 19945 19463 1 20 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.544 0.608 19945 19464 1 20 . 1 1 82 82 LEU H H 82 8.407 8.407 8.749 -0.342 19945 19465 1 20 . 1 1 83 83 VAL N N 83 121.665 121.665 121.271 0.394 19945 19466 1 20 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.345 0.495 19945 19467 1 20 . 1 1 83 83 VAL C C 83 173.417 173.417 174.125 -0.708 19945 19468 1 20 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.031 -0.829 19945 19469 1 20 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.922 0.426 19945 19470 1 20 . 1 1 83 83 VAL H H 83 8.960 8.960 9.066 -0.106 19945 19471 1 20 . 1 1 84 84 ALA N N 84 128.017 128.017 126.708 1.309 19945 19472 1 20 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.517 -0.184 19945 19473 1 20 . 1 1 84 84 ALA C C 84 175.231 175.231 175.583 -0.352 19945 19474 1 20 . 1 1 84 84 ALA CA C 84 50.428 50.428 50.014 0.414 19945 19475 1 20 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.145 0.983 19945 19476 1 20 . 1 1 84 84 ALA H H 84 9.021 9.021 8.921 0.100 19945 19477 1 20 . 1 1 85 85 LEU N N 85 124.220 124.220 120.568 3.652 19945 19478 1 20 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.612 -0.000 19945 19479 1 20 . 1 1 85 85 LEU C C 85 174.454 174.454 175.823 -1.369 19945 19480 1 20 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.054 -0.082 19945 19481 1 20 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.178 0.734 19945 19482 1 20 . 1 1 85 85 LEU H H 85 11.134 11.134 8.896 2.238 19945 19483 1 20 . 1 1 86 86 PHE N N 86 114.461 114.461 116.439 -1.978 19945 19484 1 20 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.328 -0.106 19945 19485 1 20 . 1 1 86 86 PHE C C 86 173.619 173.619 173.817 -0.198 19945 19486 1 20 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.247 -0.569 19945 19487 1 20 . 1 1 86 86 PHE CB C 86 42.980 42.980 41.842 1.138 19945 19488 1 20 . 1 1 86 86 PHE H H 86 8.829 8.829 8.605 0.224 19945 19489 1 20 . 1 1 87 87 GLY N N 87 104.437 104.437 105.594 -1.157 19945 19490 1 20 . 1 1 87 87 GLY C C 87 170.423 170.423 171.423 -1.000 19945 19491 1 20 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.104 0.826 19945 19492 1 20 . 1 1 87 87 GLY H H 87 8.496 8.496 8.666 -0.170 19945 19493 1 20 . 1 1 88 88 CYS N N 88 114.166 114.166 118.636 -4.470 19945 19494 1 20 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.397 0.606 19945 19495 1 20 . 1 1 88 88 CYS C C 88 174.425 174.425 173.289 1.136 19945 19496 1 20 . 1 1 88 88 CYS CA C 88 56.538 56.538 56.693 -0.155 19945 19497 1 20 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.880 0.422 19945 19498 1 20 . 1 1 88 88 CYS H H 88 5.354 5.354 8.021 -2.667 19945 19499 1 20 . 1 1 89 89 GLY N N 89 109.463 109.463 109.494 -0.031 19945 19500 1 20 . 1 1 89 89 GLY C C 89 173.187 173.187 171.247 1.940 19945 19501 1 20 . 1 1 89 89 GLY CA C 89 46.443 46.443 45.009 1.434 19945 19502 1 20 . 1 1 89 89 GLY H H 89 8.404 8.404 8.072 0.332 19945 19503 1 20 . 1 1 90 90 ASP N N 90 123.090 123.090 119.470 3.620 19945 19504 1 20 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.581 0.218 19945 19505 1 20 . 1 1 90 90 ASP C C 90 176.095 176.095 175.567 0.528 19945 19506 1 20 . 1 1 90 90 ASP CA C 90 52.553 52.553 52.538 0.016 19945 19507 1 20 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.710 -0.455 19945 19508 1 20 . 1 1 90 90 ASP H H 90 8.698 8.698 8.309 0.389 19945 19509 1 20 . 1 1 91 91 GLN N N 91 123.780 123.780 122.300 1.480 19945 19510 1 20 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.580 -0.884 19945 19511 1 20 . 1 1 91 91 GLN C C 91 173.639 173.639 175.351 -1.712 19945 19512 1 20 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.431 1.629 19945 19513 1 20 . 1 1 91 91 GLN CB C 91 29.441 29.441 29.005 0.436 19945 19514 1 20 . 1 1 91 91 GLN H H 91 9.675 9.675 8.394 1.281 19945 19515 1 20 . 1 1 92 92 GLU N N 92 118.631 118.631 122.759 -4.128 19945 19516 1 20 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.004 0.587 19945 19517 1 20 . 1 1 92 92 GLU C C 92 177.247 177.247 177.128 0.119 19945 19518 1 20 . 1 1 92 92 GLU CA C 92 57.336 57.336 59.510 -2.174 19945 19519 1 20 . 1 1 92 92 GLU CB C 92 30.770 30.770 29.460 1.310 19945 19520 1 20 . 1 1 92 92 GLU H H 92 8.396 8.396 8.294 0.102 19945 19521 1 20 . 1 1 93 93 ASP N N 93 120.889 120.889 117.956 2.933 19945 19522 1 20 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.535 -0.253 19945 19523 1 20 . 1 1 93 93 ASP C C 93 175.986 175.986 177.793 -1.807 19945 19524 1 20 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.648 -0.223 19945 19525 1 20 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.455 -1.205 19945 19526 1 20 . 1 1 93 93 ASP H H 93 7.779 7.779 8.145 -0.366 19945 19527 1 20 . 1 1 94 94 TYR N N 94 117.028 117.028 120.406 -3.378 19945 19528 1 20 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.823 -0.138 19945 19529 1 20 . 1 1 94 94 TYR C C 94 175.519 175.519 175.895 -0.376 19945 19530 1 20 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.071 0.308 19945 19531 1 20 . 1 1 94 94 TYR CB C 94 36.842 36.842 35.922 0.920 19945 19532 1 20 . 1 1 94 94 TYR H H 94 6.693 6.693 7.879 -1.186 19945 19533 1 20 . 1 1 95 95 ALA N N 95 121.950 121.950 123.003 -1.053 19945 19534 1 20 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.167 -0.011 19945 19535 1 20 . 1 1 95 95 ALA C C 95 179.723 179.723 178.182 1.541 19945 19536 1 20 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.682 1.240 19945 19537 1 20 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.988 1.567 19945 19538 1 20 . 1 1 95 95 ALA H H 95 6.962 6.962 7.929 -0.967 19945 19539 1 20 . 1 1 96 96 GLU N N 96 115.884 115.884 116.755 -0.871 19945 19540 1 20 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.469 -0.163 19945 19541 1 20 . 1 1 96 96 GLU C C 96 174.684 174.684 175.629 -0.945 19945 19542 1 20 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.443 0.542 19945 19543 1 20 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.579 -0.403 19945 19544 1 20 . 1 1 96 96 GLU H H 96 9.327 9.327 8.655 0.672 19945 19545 1 20 . 1 1 97 97 TYR N N 97 121.836 121.836 117.249 4.587 19945 19546 1 20 . 1 1 97 97 TYR HA H 97 5.409 5.409 5.047 0.362 19945 19547 1 20 . 1 1 97 97 TYR C C 97 179.953 179.953 175.092 4.861 19945 19548 1 20 . 1 1 97 97 TYR CA C 97 56.442 56.442 55.570 0.872 19945 19549 1 20 . 1 1 97 97 TYR CB C 97 41.292 41.292 38.920 2.372 19945 19550 1 20 . 1 1 97 97 TYR H H 97 8.175 8.175 8.117 0.058 19945 19551 1 20 . 1 1 98 98 PHE N N 98 124.580 124.580 123.986 0.594 19945 19552 1 20 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.594 0.543 19945 19553 1 20 . 1 1 98 98 PHE C C 98 174.742 174.742 175.782 -1.040 19945 19554 1 20 . 1 1 98 98 PHE CA C 98 58.663 58.663 58.907 -0.244 19945 19555 1 20 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.290 -0.635 19945 19556 1 20 . 1 1 98 98 PHE H H 98 7.889 7.889 7.957 -0.068 19945 19557 1 20 . 1 1 99 99 CYS N N 99 120.329 120.329 124.444 -4.115 19945 19558 1 20 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.665 -0.013 19945 19559 1 20 . 1 1 99 99 CYS C C 99 175.087 175.087 175.554 -0.467 19945 19560 1 20 . 1 1 99 99 CYS CA C 99 62.876 62.876 60.244 2.632 19945 19561 1 20 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.054 -1.054 19945 19562 1 20 . 1 1 99 99 CYS H H 99 8.617 8.617 8.689 -0.072 19945 19563 1 20 . 1 1 100 100 ASP N N 100 116.705 116.705 121.767 -5.062 19945 19564 1 20 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.291 -0.346 19945 19565 1 20 . 1 1 100 100 ASP C C 100 178.888 178.888 177.196 1.692 19945 19566 1 20 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.657 0.471 19945 19567 1 20 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.175 0.775 19945 19568 1 20 . 1 1 100 100 ASP H H 100 7.104 7.104 8.061 -0.957 19945 19569 1 20 . 1 1 101 101 ALA N N 101 118.631 118.631 121.546 -2.915 19945 19570 1 20 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.233 -0.082 19945 19571 1 20 . 1 1 101 101 ALA C C 101 178.600 178.600 179.487 -0.887 19945 19572 1 20 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.171 0.226 19945 19573 1 20 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.620 0.190 19945 19574 1 20 . 1 1 101 101 ALA H H 101 8.716 8.716 7.748 0.968 19945 19575 1 20 . 1 1 102 102 LEU N N 102 115.083 115.083 119.448 -4.365 19945 19576 1 20 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.881 -0.267 19945 19577 1 20 . 1 1 102 102 LEU C C 102 179.573 179.573 179.029 0.544 19945 19578 1 20 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.702 0.142 19945 19579 1 20 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.515 1.199 19945 19580 1 20 . 1 1 102 102 LEU H H 102 7.171 7.171 8.027 -0.856 19945 19581 1 20 . 1 1 103 103 GLY N N 103 104.501 104.501 105.253 -0.752 19945 19582 1 20 . 1 1 103 103 GLY C C 103 175.145 175.145 175.407 -0.262 19945 19583 1 20 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.337 -0.629 19945 19584 1 20 . 1 1 103 103 GLY H H 103 7.365 7.365 8.340 -0.975 19945 19585 1 20 . 1 1 104 104 THR N N 104 118.860 118.860 119.556 -0.696 19945 19586 1 20 . 1 1 104 104 THR HA H 104 3.737 3.737 3.790 -0.053 19945 19587 1 20 . 1 1 104 104 THR C C 104 176.354 176.354 176.568 -0.214 19945 19588 1 20 . 1 1 104 104 THR CA C 104 65.799 65.799 66.724 -0.925 19945 19589 1 20 . 1 1 104 104 THR CB C 104 67.961 67.961 68.566 -0.605 19945 19590 1 20 . 1 1 104 104 THR H H 104 7.343 7.343 7.295 0.048 19945 19591 1 20 . 1 1 105 105 ILE N N 105 118.663 118.663 121.322 -2.659 19945 19592 1 20 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.510 -0.006 19945 19593 1 20 . 1 1 105 105 ILE C C 105 177.391 177.391 177.275 0.116 19945 19594 1 20 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.923 0.627 19945 19595 1 20 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.394 0.356 19945 19596 1 20 . 1 1 105 105 ILE H H 105 7.589 7.589 7.780 -0.191 19945 19597 1 20 . 1 1 106 106 ARG N N 106 126.041 126.041 120.578 5.463 19945 19598 1 20 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.816 -0.236 19945 19599 1 20 . 1 1 106 106 ARG C C 106 176.614 176.614 178.078 -1.464 19945 19600 1 20 . 1 1 106 106 ARG CA C 106 60.267 60.267 60.266 0.001 19945 19601 1 20 . 1 1 106 106 ARG CB C 106 27.316 27.316 30.029 -2.713 19945 19602 1 20 . 1 1 106 106 ARG H H 106 7.307 7.307 8.185 -0.878 19945 19603 1 20 . 1 1 107 107 ASP N N 107 117.480 117.480 117.926 -0.446 19945 19604 1 20 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.427 -0.079 19945 19605 1 20 . 1 1 107 107 ASP C C 107 177.189 177.189 177.952 -0.763 19945 19606 1 20 . 1 1 107 107 ASP CA C 107 56.500 56.500 57.017 -0.517 19945 19607 1 20 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.727 -1.053 19945 19608 1 20 . 1 1 107 107 ASP H H 107 8.202 8.202 8.299 -0.097 19945 19609 1 20 . 1 1 108 108 ILE N N 108 117.715 117.715 118.597 -0.882 19945 19610 1 20 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.875 -0.019 19945 19611 1 20 . 1 1 108 108 ILE C C 108 178.427 178.427 177.547 0.880 19945 19612 1 20 . 1 1 108 108 ILE CA C 108 63.977 63.977 64.299 -0.322 19945 19613 1 20 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.762 0.689 19945 19614 1 20 . 1 1 108 108 ILE H H 108 7.107 7.107 7.251 -0.144 19945 19615 1 20 . 1 1 109 109 ILE N N 109 111.534 111.534 117.500 -5.966 19945 19616 1 20 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.864 -0.129 19945 19617 1 20 . 1 1 109 109 ILE C C 109 177.305 177.305 177.882 -0.577 19945 19618 1 20 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.259 0.346 19945 19619 1 20 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.772 -0.361 19945 19620 1 20 . 1 1 109 109 ILE H H 109 7.501 7.501 8.459 -0.958 19945 19621 1 20 . 1 1 110 110 GLU N N 110 127.123 127.123 122.662 4.461 19945 19622 1 20 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.271 0.027 19945 19623 1 20 . 1 1 110 110 GLU C C 110 177.391 177.391 176.248 1.143 19945 19624 1 20 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.387 1.944 19945 19625 1 20 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.326 -0.478 19945 19626 1 20 . 1 1 110 110 GLU H H 110 8.867 8.867 8.392 0.475 19945 19627 1 20 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.333 0.283 19945 19628 1 20 . 1 1 111 111 PRO C C 111 177.417 177.417 177.432 -0.015 19945 19629 1 20 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.530 0.705 19945 19630 1 20 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.414 -0.379 19945 19631 1 20 . 1 1 112 112 ARG N N 112 114.612 114.612 115.779 -1.167 19945 19632 1 20 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.580 -0.013 19945 19633 1 20 . 1 1 112 112 ARG C C 112 175.792 175.792 176.720 -0.928 19945 19634 1 20 . 1 1 112 112 ARG CA C 112 55.741 55.741 54.635 1.106 19945 19635 1 20 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.786 0.718 19945 19636 1 20 . 1 1 112 112 ARG H H 112 6.542 6.542 7.821 -1.279 19945 19637 1 20 . 1 1 113 113 GLY N N 113 106.474 106.474 106.884 -0.410 19945 19638 1 20 . 1 1 113 113 GLY C C 113 174.347 174.347 174.021 0.326 19945 19639 1 20 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.385 0.255 19945 19640 1 20 . 1 1 113 113 GLY H H 113 7.845 7.845 7.781 0.064 19945 19641 1 20 . 1 1 114 114 ALA N N 114 122.280 122.280 123.569 -1.289 19945 19642 1 20 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.727 -0.448 19945 19643 1 20 . 1 1 114 114 ALA C C 114 176.785 176.785 177.340 -0.555 19945 19644 1 20 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.566 0.824 19945 19645 1 20 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.352 0.260 19945 19646 1 20 . 1 1 114 114 ALA H H 114 7.535 7.535 7.374 0.161 19945 19647 1 20 . 1 1 115 115 THR N N 115 120.909 120.909 120.815 0.094 19945 19648 1 20 . 1 1 115 115 THR HA H 115 4.478 4.478 4.569 -0.091 19945 19649 1 20 . 1 1 115 115 THR C C 115 172.963 172.963 173.582 -0.619 19945 19650 1 20 . 1 1 115 115 THR CA C 115 62.825 62.825 62.779 0.046 19945 19651 1 20 . 1 1 115 115 THR CB C 115 69.501 69.501 69.547 -0.046 19945 19652 1 20 . 1 1 115 115 THR H H 115 7.902 7.902 8.944 -1.042 19945 19653 1 20 . 1 1 116 116 ILE N N 116 129.162 129.162 129.371 -0.209 19945 19654 1 20 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.080 0.217 19945 19655 1 20 . 1 1 116 116 ILE C C 116 177.056 177.056 175.629 1.427 19945 19656 1 20 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.549 -0.026 19945 19657 1 20 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.115 -0.815 19945 19658 1 20 . 1 1 116 116 ILE H H 116 8.784 8.784 8.902 -0.118 19945 19659 1 20 . 1 1 117 117 VAL N N 117 122.981 122.981 121.256 1.725 19945 19660 1 20 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.738 -0.144 19945 19661 1 20 . 1 1 117 117 VAL C C 117 175.190 175.190 176.194 -1.004 19945 19662 1 20 . 1 1 117 117 VAL CA C 117 58.929 58.929 58.888 0.041 19945 19663 1 20 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.669 -2.305 19945 19664 1 20 . 1 1 117 117 VAL H H 117 8.812 8.812 8.796 0.016 19945 19665 1 20 . 1 1 118 118 GLY N N 118 108.558 108.558 107.055 1.503 19945 19666 1 20 . 1 1 118 118 GLY C C 118 175.792 175.792 174.896 0.896 19945 19667 1 20 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.722 2.024 19945 19668 1 20 . 1 1 118 118 GLY H H 118 9.297 9.297 9.067 0.230 19945 19669 1 20 . 1 1 119 119 HIS N N 119 118.402 118.402 119.386 -0.984 19945 19670 1 20 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.869 -0.097 19945 19671 1 20 . 1 1 119 119 HIS C C 119 175.866 175.866 175.276 0.590 19945 19672 1 20 . 1 1 119 119 HIS CA C 119 55.602 55.602 57.274 -1.672 19945 19673 1 20 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.993 -1.137 19945 19674 1 20 . 1 1 119 119 HIS H H 119 8.901 8.901 8.172 0.729 19945 19675 1 20 . 1 1 120 120 TRP N N 120 124.300 124.300 126.372 -2.072 19945 19676 1 20 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.190 1.103 19945 19677 1 20 . 1 1 120 120 TRP C C 120 173.113 173.113 172.888 0.225 19945 19678 1 20 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.924 -0.420 19945 19679 1 20 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.838 2.448 19945 19680 1 20 . 1 1 120 120 TRP H H 120 8.455 8.455 9.006 -0.551 19945 19681 1 20 . 1 1 121 121 PRO HA H 121 4.597 4.597 3.953 0.644 19945 19682 1 20 . 1 1 121 121 PRO C C 121 176.243 176.243 176.440 -0.197 19945 19683 1 20 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.611 0.839 19945 19684 1 20 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.288 -0.191 19945 19685 1 20 . 1 1 122 122 THR N N 122 110.568 110.568 112.807 -2.239 19945 19686 1 20 . 1 1 122 122 THR HA H 122 4.232 4.232 3.772 0.460 19945 19687 1 20 . 1 1 122 122 THR C C 122 176.424 176.424 176.078 0.346 19945 19688 1 20 . 1 1 122 122 THR CA C 122 62.079 62.079 64.227 -2.148 19945 19689 1 20 . 1 1 122 122 THR CB C 122 68.758 68.758 68.602 0.156 19945 19690 1 20 . 1 1 122 122 THR H H 122 7.560 7.560 8.023 -0.463 19945 19691 1 20 . 1 1 123 123 ALA N N 123 126.038 126.038 123.431 2.607 19945 19692 1 20 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.949 0.320 19945 19693 1 20 . 1 1 123 123 ALA C C 123 178.862 178.862 178.136 0.726 19945 19694 1 20 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.805 1.077 19945 19695 1 20 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.080 1.204 19945 19696 1 20 . 1 1 123 123 ALA H H 123 7.144 7.144 8.453 -1.309 19945 19697 1 20 . 1 1 124 124 GLY N N 124 111.468 111.468 104.156 7.312 19945 19698 1 20 . 1 1 124 124 GLY C C 124 173.775 173.775 174.572 -0.797 19945 19699 1 20 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.707 0.674 19945 19700 1 20 . 1 1 124 124 GLY H H 124 9.058 9.058 8.477 0.581 19945 19701 1 20 . 1 1 125 125 TYR N N 125 119.088 119.088 121.483 -2.395 19945 19702 1 20 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.348 0.594 19945 19703 1 20 . 1 1 125 125 TYR C C 125 175.581 175.581 174.286 1.295 19945 19704 1 20 . 1 1 125 125 TYR CA C 125 56.762 56.762 59.679 -2.917 19945 19705 1 20 . 1 1 125 125 TYR CB C 125 40.550 40.550 39.361 1.189 19945 19706 1 20 . 1 1 125 125 TYR H H 125 8.008 8.008 7.816 0.192 19945 19707 1 20 . 1 1 126 126 HIS N N 126 121.799 121.799 123.804 -2.005 19945 19708 1 20 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.208 0.805 19945 19709 1 20 . 1 1 126 126 HIS C C 126 171.969 171.969 172.180 -0.211 19945 19710 1 20 . 1 1 126 126 HIS CA C 126 54.147 54.147 54.208 -0.061 19945 19711 1 20 . 1 1 126 126 HIS CB C 126 28.387 28.387 30.556 -2.169 19945 19712 1 20 . 1 1 126 126 HIS H H 126 9.512 9.512 7.133 2.379 19945 19713 1 20 . 1 1 127 127 PHE N N 127 117.258 117.258 117.760 -0.502 19945 19714 1 20 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.492 0.431 19945 19715 1 20 . 1 1 127 127 PHE C C 127 172.722 172.722 176.604 -3.882 19945 19716 1 20 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.105 -0.805 19945 19717 1 20 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.519 -0.765 19945 19718 1 20 . 1 1 127 127 PHE H H 127 7.397 7.397 6.354 1.043 19945 19719 1 20 . 1 1 128 128 GLU N N 128 120.484 120.484 119.707 0.777 19945 19720 1 20 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.152 0.211 19945 19721 1 20 . 1 1 128 128 GLU C C 128 176.033 176.033 176.407 -0.374 19945 19722 1 20 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.001 -0.933 19945 19723 1 20 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.379 1.453 19945 19724 1 20 . 1 1 128 128 GLU H H 128 8.492 8.492 8.712 -0.220 19945 19725 1 20 . 1 1 129 129 ALA N N 129 123.500 123.500 120.930 2.570 19945 19726 1 20 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.858 -0.160 19945 19727 1 20 . 1 1 129 129 ALA C C 129 174.016 174.016 175.408 -1.392 19945 19728 1 20 . 1 1 129 129 ALA CA C 129 52.454 52.454 52.034 0.420 19945 19729 1 20 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.625 0.378 19945 19730 1 20 . 1 1 129 129 ALA H H 129 9.155 9.155 8.228 0.927 19945 19731 1 20 . 1 1 130 130 SER N N 130 110.807 110.807 114.924 -4.117 19945 19732 1 20 . 1 1 130 130 SER HA H 130 4.942 4.942 5.041 -0.099 19945 19733 1 20 . 1 1 130 130 SER C C 130 176.665 176.665 175.397 1.268 19945 19734 1 20 . 1 1 130 130 SER CA C 130 57.471 57.471 57.360 0.111 19945 19735 1 20 . 1 1 130 130 SER CB C 130 67.205 67.205 65.162 2.043 19945 19736 1 20 . 1 1 130 130 SER H H 130 8.101 8.101 8.397 -0.296 19945 19737 1 20 . 1 1 131 131 LYS N N 131 129.963 129.963 128.493 1.470 19945 19738 1 20 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.436 0.013 19945 19739 1 20 . 1 1 131 131 LYS C C 131 176.533 176.533 177.925 -1.392 19945 19740 1 20 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.512 0.388 19945 19741 1 20 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.262 0.367 19945 19742 1 20 . 1 1 131 131 LYS H H 131 9.690 9.690 9.081 0.609 19945 19743 1 20 . 1 1 132 132 GLY N N 132 107.870 107.870 107.048 0.822 19945 19744 1 20 . 1 1 132 132 GLY C C 132 173.354 173.354 173.723 -0.369 19945 19745 1 20 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.131 0.515 19945 19746 1 20 . 1 1 132 132 GLY H H 132 9.187 9.187 7.718 1.469 19945 19747 1 20 . 1 1 133 133 LEU N N 133 119.088 119.088 121.350 -2.262 19945 19748 1 20 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.210 0.433 19945 19749 1 20 . 1 1 133 133 LEU C C 133 177.748 177.748 176.647 1.101 19945 19750 1 20 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.339 0.137 19945 19751 1 20 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.679 -1.175 19945 19752 1 20 . 1 1 133 133 LEU H H 133 7.098 7.098 7.407 -0.309 19945 19753 1 20 . 1 1 134 134 ALA N N 134 125.720 125.720 127.563 -1.843 19945 19754 1 20 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.386 -0.149 19945 19755 1 20 . 1 1 134 134 ALA C C 134 176.695 176.695 177.115 -0.420 19945 19756 1 20 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.952 -0.664 19945 19757 1 20 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.384 -0.773 19945 19758 1 20 . 1 1 134 134 ALA H H 134 9.154 9.154 8.931 0.223 19945 19759 1 20 . 1 1 135 135 ASP N N 135 114.952 114.952 116.185 -1.233 19945 19760 1 20 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.798 -0.269 19945 19761 1 20 . 1 1 135 135 ASP C C 135 175.130 175.130 175.497 -0.367 19945 19762 1 20 . 1 1 135 135 ASP CA C 135 52.960 52.960 52.859 0.101 19945 19763 1 20 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.720 -3.192 19945 19764 1 20 . 1 1 135 135 ASP H H 135 8.299 8.299 7.833 0.466 19945 19765 1 20 . 1 1 136 136 ASP N N 136 114.870 114.870 119.454 -4.584 19945 19766 1 20 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.344 -0.009 19945 19767 1 20 . 1 1 136 136 ASP C C 136 176.303 176.303 176.112 0.191 19945 19768 1 20 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.353 1.490 19945 19769 1 20 . 1 1 136 136 ASP CB C 136 40.864 40.864 41.085 -0.221 19945 19770 1 20 . 1 1 136 136 ASP H H 136 8.433 8.433 8.445 -0.012 19945 19771 1 20 . 1 1 137 137 ASP N N 137 113.709 113.709 112.526 1.183 19945 19772 1 20 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.515 0.316 19945 19773 1 20 . 1 1 137 137 ASP C C 137 176.514 176.514 174.866 1.648 19945 19774 1 20 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.462 -0.145 19945 19775 1 20 . 1 1 137 137 ASP CB C 137 42.458 42.458 40.653 1.805 19945 19776 1 20 . 1 1 137 137 ASP H H 137 8.232 8.232 8.031 0.201 19945 19777 1 20 . 1 1 138 138 HIS N N 138 117.829 117.829 118.520 -0.691 19945 19778 1 20 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.031 0.251 19945 19779 1 20 . 1 1 138 138 HIS C C 138 175.130 175.130 173.283 1.847 19945 19780 1 20 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.993 0.605 19945 19781 1 20 . 1 1 138 138 HIS CB C 138 32.000 32.000 33.087 -1.087 19945 19782 1 20 . 1 1 138 138 HIS H H 138 7.764 7.764 7.754 0.010 19945 19783 1 20 . 1 1 139 139 PHE N N 139 123.553 123.553 122.752 0.801 19945 19784 1 20 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.858 0.161 19945 19785 1 20 . 1 1 139 139 PHE C C 139 177.477 177.477 177.208 0.269 19945 19786 1 20 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.511 0.047 19945 19787 1 20 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.816 3.056 19945 19788 1 20 . 1 1 139 139 PHE H H 139 9.955 9.955 9.459 0.496 19945 19789 1 20 . 1 1 140 140 VAL N N 140 119.420 119.420 120.744 -1.324 19945 19790 1 20 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.267 -0.589 19945 19791 1 20 . 1 1 140 140 VAL C C 140 173.023 173.023 175.488 -2.465 19945 19792 1 20 . 1 1 140 140 VAL CA C 140 62.117 62.117 64.194 -2.077 19945 19793 1 20 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.682 -0.146 19945 19794 1 20 . 1 1 140 140 VAL H H 140 9.178 9.178 8.865 0.313 19945 19795 1 20 . 1 1 141 141 GLY N N 141 105.680 105.680 103.444 2.236 19945 19796 1 20 . 1 1 141 141 GLY C C 141 171.284 171.284 172.666 -1.382 19945 19797 1 20 . 1 1 141 141 GLY CA C 141 44.721 44.721 43.858 0.863 19945 19798 1 20 . 1 1 141 141 GLY H H 141 6.837 6.837 7.450 -0.613 19945 19799 1 20 . 1 1 142 142 LEU N N 142 118.516 118.516 120.508 -1.992 19945 19800 1 20 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.726 -0.679 19945 19801 1 20 . 1 1 142 142 LEU C C 142 173.725 173.725 174.874 -1.149 19945 19802 1 20 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.869 0.835 19945 19803 1 20 . 1 1 142 142 LEU CB C 142 38.739 38.739 41.444 -2.705 19945 19804 1 20 . 1 1 142 142 LEU H H 142 7.423 7.423 7.558 -0.135 19945 19805 1 20 . 1 1 143 143 ALA N N 143 128.382 128.382 129.148 -0.766 19945 19806 1 20 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.880 -0.406 19945 19807 1 20 . 1 1 143 143 ALA C C 143 175.685 175.685 176.506 -0.821 19945 19808 1 20 . 1 1 143 143 ALA CA C 143 49.631 49.631 49.840 -0.209 19945 19809 1 20 . 1 1 143 143 ALA CB C 143 19.847 19.847 20.261 -0.414 19945 19810 1 20 . 1 1 143 143 ALA H H 143 5.414 5.414 7.847 -2.433 19945 19811 1 20 . 1 1 144 144 ILE N N 144 126.754 126.754 119.928 6.826 19945 19812 1 20 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.521 -0.206 19945 19813 1 20 . 1 1 144 144 ILE C C 144 173.725 173.725 174.358 -0.633 19945 19814 1 20 . 1 1 144 144 ILE CA C 144 56.721 56.721 60.483 -3.762 19945 19815 1 20 . 1 1 144 144 ILE CB C 144 37.630 37.630 37.744 -0.114 19945 19816 1 20 . 1 1 144 144 ILE H H 144 8.849 8.849 8.267 0.582 19945 19817 1 20 . 1 1 145 145 ASP N N 145 125.518 125.518 126.777 -1.259 19945 19818 1 20 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.918 0.878 19945 19819 1 20 . 1 1 145 145 ASP C C 145 176.830 176.830 174.752 2.078 19945 19820 1 20 . 1 1 145 145 ASP CA C 145 52.553 52.553 53.844 -1.291 19945 19821 1 20 . 1 1 145 145 ASP CB C 145 43.502 43.502 44.574 -1.072 19945 19822 1 20 . 1 1 145 145 ASP H H 145 8.088 8.088 8.485 -0.397 19945 19823 1 20 . 1 1 146 146 GLU N N 146 125.475 125.475 121.551 3.924 19945 19824 1 20 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.586 0.077 19945 19825 1 20 . 1 1 146 146 GLU C C 146 177.132 177.132 175.651 1.481 19945 19826 1 20 . 1 1 146 146 GLU CA C 146 56.273 56.273 57.123 -0.850 19945 19827 1 20 . 1 1 146 146 GLU CB C 146 32.250 32.250 32.288 -0.038 19945 19828 1 20 . 1 1 146 146 GLU H H 146 8.390 8.390 8.197 0.193 19945 19829 1 20 . 1 1 147 147 ASP N N 147 120.137 120.137 120.018 0.119 19945 19830 1 20 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.948 -0.381 19945 19831 1 20 . 1 1 147 147 ASP C C 147 178.126 178.126 176.322 1.804 19945 19832 1 20 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.276 3.725 19945 19833 1 20 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.103 1.147 19945 19834 1 20 . 1 1 147 147 ASP H H 147 8.599 8.599 8.431 0.168 19945 19835 1 20 . 1 1 148 148 ARG N N 148 115.655 115.655 116.847 -1.192 19945 19836 1 20 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.464 0.234 19945 19837 1 20 . 1 1 148 148 ARG C C 148 177.704 177.704 175.283 2.421 19945 19838 1 20 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.797 -3.837 19945 19839 1 20 . 1 1 148 148 ARG CB C 148 30.814 30.814 30.843 -0.030 19945 19840 1 20 . 1 1 148 148 ARG H H 148 9.762 9.762 8.085 1.677 19945 19841 1 20 . 1 1 149 149 GLN N N 149 116.313 116.313 116.042 0.271 19945 19842 1 20 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.926 0.373 19945 19843 1 20 . 1 1 149 149 GLN C C 149 175.142 175.142 173.252 1.890 19945 19844 1 20 . 1 1 149 149 GLN CA C 149 53.401 53.401 52.052 1.349 19945 19845 1 20 . 1 1 149 149 GLN CB C 149 30.841 30.841 33.000 -2.159 19945 19846 1 20 . 1 1 149 149 GLN H H 149 7.622 7.622 7.690 -0.068 19945 19847 1 20 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.490 0.191 19945 19848 1 20 . 1 1 150 150 PRO C C 150 179.483 179.483 175.566 3.917 19945 19849 1 20 . 1 1 150 150 PRO CA C 150 65.326 65.326 62.763 2.563 19945 19850 1 20 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.308 -1.656 19945 19851 1 20 . 1 1 151 151 GLU N N 151 122.981 122.981 120.263 2.718 19945 19852 1 20 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.377 0.024 19945 19853 1 20 . 1 1 151 151 GLU C C 151 177.041 177.041 176.152 0.889 19945 19854 1 20 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.432 1.966 19945 19855 1 20 . 1 1 151 151 GLU CB C 151 27.582 27.582 30.238 -2.656 19945 19856 1 20 . 1 1 151 151 GLU H H 151 10.520 10.520 8.516 2.004 19945 19857 1 20 . 1 1 152 152 LEU N N 152 120.119 120.119 121.041 -0.922 19945 19858 1 20 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.716 -0.025 19945 19859 1 20 . 1 1 152 152 LEU C C 152 177.222 177.222 177.058 0.164 19945 19860 1 20 . 1 1 152 152 LEU CA C 152 54.309 54.309 53.952 0.357 19945 19861 1 20 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.709 0.226 19945 19862 1 20 . 1 1 152 152 LEU H H 152 7.589 7.589 8.115 -0.526 19945 19863 1 20 . 1 1 153 153 THR N N 153 119.637 119.637 117.102 2.535 19945 19864 1 20 . 1 1 153 153 THR HA H 153 3.592 3.592 3.932 -0.340 19945 19865 1 20 . 1 1 153 153 THR C C 153 174.178 174.178 176.236 -2.058 19945 19866 1 20 . 1 1 153 153 THR CA C 153 67.960 67.960 66.830 1.130 19945 19867 1 20 . 1 1 153 153 THR CB C 153 69.023 69.023 68.563 0.460 19945 19868 1 20 . 1 1 153 153 THR H H 153 7.469 7.469 8.069 -0.600 19945 19869 1 20 . 1 1 154 154 ALA N N 154 123.665 123.665 122.745 0.920 19945 19870 1 20 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.136 -0.248 19945 19871 1 20 . 1 1 154 154 ALA C C 154 180.417 180.417 179.411 1.006 19945 19872 1 20 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.861 1.677 19945 19873 1 20 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.636 -1.414 19945 19874 1 20 . 1 1 154 154 ALA H H 154 9.077 9.077 8.522 0.555 19945 19875 1 20 . 1 1 155 155 GLU N N 155 119.661 119.661 118.906 0.755 19945 19876 1 20 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.069 0.183 19945 19877 1 20 . 1 1 155 155 GLU C C 155 178.518 178.518 179.002 -0.484 19945 19878 1 20 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.083 -0.265 19945 19879 1 20 . 1 1 155 155 GLU CB C 155 29.707 29.707 28.989 0.718 19945 19880 1 20 . 1 1 155 155 GLU H H 155 8.647 8.647 8.149 0.498 19945 19881 1 20 . 1 1 156 156 ARG N N 156 120.739 120.739 120.577 0.162 19945 19882 1 20 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.191 0.027 19945 19883 1 20 . 1 1 156 156 ARG C C 156 177.252 177.252 178.876 -1.624 19945 19884 1 20 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.372 1.097 19945 19885 1 20 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.272 0.751 19945 19886 1 20 . 1 1 156 156 ARG H H 156 8.129 8.129 8.359 -0.230 19945 19887 1 20 . 1 1 157 157 VAL N N 157 117.372 117.372 119.756 -2.384 19945 19888 1 20 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.569 -0.250 19945 19889 1 20 . 1 1 157 157 VAL C C 157 177.192 177.192 177.893 -0.701 19945 19890 1 20 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.268 1.132 19945 19891 1 20 . 1 1 157 157 VAL CB C 157 31.832 31.832 30.936 0.896 19945 19892 1 20 . 1 1 157 157 VAL H H 157 8.578 8.578 8.281 0.297 19945 19893 1 20 . 1 1 158 158 GLU N N 158 118.631 118.631 120.944 -2.313 19945 19894 1 20 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.187 0.010 19945 19895 1 20 . 1 1 158 158 GLU C C 158 179.995 179.995 179.388 0.607 19945 19896 1 20 . 1 1 158 158 GLU CA C 158 59.738 59.738 60.002 -0.264 19945 19897 1 20 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.425 -0.248 19945 19898 1 20 . 1 1 158 158 GLU H H 158 8.046 8.046 8.364 -0.318 19945 19899 1 20 . 1 1 159 159 LYS N N 159 118.860 118.860 119.570 -0.710 19945 19900 1 20 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.065 0.121 19945 19901 1 20 . 1 1 159 159 LYS C C 159 179.844 179.844 179.068 0.776 19945 19902 1 20 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.496 0.499 19945 19903 1 20 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.512 1.180 19945 19904 1 20 . 1 1 159 159 LYS H H 159 8.522 8.522 8.287 0.235 19945 19905 1 20 . 1 1 160 160 TRP N N 160 125.100 125.100 121.571 3.529 19945 19906 1 20 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.402 -0.032 19945 19907 1 20 . 1 1 160 160 TRP C C 160 178.006 178.006 177.908 0.098 19945 19908 1 20 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.763 1.051 19945 19909 1 20 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.140 -0.348 19945 19910 1 20 . 1 1 160 160 TRP H H 160 9.076 9.076 8.059 1.017 19945 19911 1 20 . 1 1 161 161 VAL N N 161 118.402 118.402 119.232 -0.830 19945 19912 1 20 . 1 1 161 161 VAL HA H 161 3.370 3.370 2.986 0.384 19945 19913 1 20 . 1 1 161 161 VAL C C 161 179.392 179.392 178.105 1.287 19945 19914 1 20 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.736 0.269 19945 19915 1 20 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.435 -1.085 19945 19916 1 20 . 1 1 161 161 VAL H H 161 9.024 9.024 8.646 0.378 19945 19917 1 20 . 1 1 162 162 LYS N N 162 123.209 123.209 119.029 4.180 19945 19918 1 20 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.923 0.079 19945 19919 1 20 . 1 1 162 162 LYS C C 162 178.759 178.759 178.832 -0.073 19945 19920 1 20 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.835 0.537 19945 19921 1 20 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.069 0.295 19945 19922 1 20 . 1 1 162 162 LYS H H 162 7.820 7.820 8.100 -0.280 19945 19923 1 20 . 1 1 163 163 GLN N N 163 121.722 121.722 117.847 3.875 19945 19924 1 20 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.059 0.131 19945 19925 1 20 . 1 1 163 163 GLN C C 163 179.935 179.935 178.870 1.065 19945 19926 1 20 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.156 1.570 19945 19927 1 20 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.359 0.663 19945 19928 1 20 . 1 1 163 163 GLN H H 163 8.126 8.126 7.373 0.753 19945 19929 1 20 . 1 1 164 164 ILE N N 164 114.390 114.390 117.119 -2.729 19945 19930 1 20 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.701 0.289 19945 19931 1 20 . 1 1 164 164 ILE C C 164 178.156 178.156 177.508 0.648 19945 19932 1 20 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.045 1.131 19945 19933 1 20 . 1 1 164 164 ILE CB C 164 37.678 37.678 36.950 0.728 19945 19934 1 20 . 1 1 164 164 ILE H H 164 9.110 9.110 8.018 1.092 19945 19935 1 20 . 1 1 165 165 SER N N 165 119.660 119.660 117.180 2.480 19945 19936 1 20 . 1 1 165 165 SER HA H 165 3.976 3.976 4.001 -0.025 19945 19937 1 20 . 1 1 165 165 SER C C 165 176.438 176.438 176.625 -0.187 19945 19938 1 20 . 1 1 165 165 SER CA C 165 63.180 63.180 62.750 0.430 19945 19939 1 20 . 1 1 165 165 SER CB C 165 62.383 62.383 62.420 -0.037 19945 19940 1 20 . 1 1 165 165 SER H H 165 8.278 8.278 8.296 -0.018 19945 19941 1 20 . 1 1 166 166 GLU N N 166 122.290 122.290 120.828 1.462 19945 19942 1 20 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.025 0.185 19945 19943 1 20 . 1 1 166 166 GLU C C 166 179.965 179.965 178.719 1.246 19945 19944 1 20 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.851 0.344 19945 19945 1 20 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.534 -0.290 19945 19946 1 20 . 1 1 166 166 GLU H H 166 7.345 7.345 7.797 -0.452 19945 19947 1 20 . 1 1 167 167 GLU N N 167 120.787 120.787 119.606 1.181 19945 19948 1 20 . 1 1 167 167 GLU HA H 167 3.939 3.939 3.987 -0.048 19945 19949 1 20 . 1 1 167 167 GLU C C 167 178.518 178.518 178.106 0.412 19945 19950 1 20 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.703 1.297 19945 19951 1 20 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.982 0.818 19945 19952 1 20 . 1 1 167 167 GLU H H 167 8.413 8.413 7.429 0.984 19945 19953 1 20 . 1 1 168 168 LEU N N 168 115.420 115.420 115.476 -0.056 19945 19954 1 20 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.290 -0.153 19945 19955 1 20 . 1 1 168 168 LEU C C 168 175.896 175.896 176.512 -0.616 19945 19956 1 20 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.346 0.434 19945 19957 1 20 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.392 0.908 19945 19958 1 20 . 1 1 168 168 LEU H H 168 8.553 8.553 7.896 0.657 19945 19959 1 20 . 1 1 169 169 HIS N N 169 113.347 113.347 113.209 0.138 19945 19960 1 20 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.269 0.082 19945 19961 1 20 . 1 1 169 169 HIS C C 169 175.835 175.835 175.562 0.273 19945 19962 1 20 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.229 -0.956 19945 19963 1 20 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.872 -1.150 19945 19964 1 20 . 1 1 169 169 HIS H H 169 7.550 7.550 7.166 0.384 19945 19965 1 20 . 1 1 170 170 LEU N N 170 117.250 117.250 117.567 -0.317 19945 19966 1 20 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.219 -0.216 19945 19967 1 20 . 1 1 170 170 LEU C C 170 178.096 178.096 177.639 0.457 19945 19968 1 20 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.265 1.703 19945 19969 1 20 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.703 0.155 19945 19970 1 20 . 1 1 170 170 LEU H H 170 8.069 8.069 7.919 0.150 19945 19971 1 20 . 1 1 171 171 ASP N N 171 117.300 117.300 120.691 -3.391 19945 19972 1 20 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.261 0.074 19945 19973 1 20 . 1 1 171 171 ASP C C 171 177.915 177.915 178.096 -0.181 19945 19974 1 20 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.380 -1.690 19945 19975 1 20 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.752 -0.692 19945 19976 1 20 . 1 1 171 171 ASP H H 171 8.732 8.732 8.336 0.396 19945 19977 1 20 . 1 1 172 172 GLU N N 172 119.203 119.203 116.115 3.088 19945 19978 1 20 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.181 0.046 19945 19979 1 20 . 1 1 172 172 GLU C C 172 178.277 178.277 177.397 0.880 19945 19980 1 20 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.208 -0.076 19945 19981 1 20 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.476 0.524 19945 19982 1 20 . 1 1 172 172 GLU H H 172 7.804 7.804 8.352 -0.548 19945 19983 1 20 . 1 1 173 173 ILE N N 173 119.519 119.519 116.963 2.556 19945 19984 1 20 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.118 -0.065 19945 19985 1 20 . 1 1 173 173 ILE C C 173 178.006 178.006 178.238 -0.232 19945 19986 1 20 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.269 0.331 19945 19987 1 20 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.304 -0.305 19945 19988 1 20 . 1 1 173 173 ILE H H 173 7.787 7.787 7.610 0.177 19945 19989 1 20 . 1 1 174 174 LEU N N 174 121.260 121.260 118.068 3.192 19945 19990 1 20 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.307 -0.021 19945 19991 1 20 . 1 1 174 174 LEU C C 174 177.704 177.704 177.530 0.174 19945 19992 1 20 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.430 -1.157 19945 19993 1 20 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.402 0.057 19945 19994 1 20 . 1 1 174 174 LEU H H 174 8.241 8.241 8.533 -0.292 19945 19995 1 20 . 1 1 175 175 ASN N N 175 118.280 118.280 117.589 0.691 19945 19996 1 20 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.816 0.013 19945 19997 1 20 . 1 1 175 175 ASN C C 175 173.846 173.846 175.125 -1.279 19945 19998 1 20 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.611 1.611 19945 19999 1 20 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.185 0.085 19945 20000 1 20 . 1 1 175 175 ASN H H 175 7.883 7.883 7.989 -0.106 19945 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 168 3.531 -0.172 3.537 19945 2 1 1 "Average Difference" HA 189 0.482 -0.058 0.480 19945 3 1 1 "Average Difference" C 173 1.325 0.004 1.329 19945 4 1 1 "Average Difference" CA 174 1.249 -0.181 1.239 19945 5 1 1 "Average Difference" CB 158 1.174 -0.052 1.176 19945 6 1 1 "Average Difference" HN 168 0.808 -0.040 0.809 19945 7 1 2 "Average Difference" N 168 3.531 -0.041 3.541 19945 8 1 2 "Average Difference" HA 189 0.461 -0.060 0.458 19945 9 1 2 "Average Difference" C 173 1.249 0.034 1.252 19945 10 1 2 "Average Difference" CA 174 1.219 -0.022 1.222 19945 11 1 2 "Average Difference" CB 158 1.385 -0.034 1.389 19945 12 1 2 "Average Difference" HN 168 0.812 -0.025 0.814 19945 13 1 3 "Average Difference" N 168 3.517 -0.109 3.526 19945 14 1 3 "Average Difference" HA 189 0.454 -0.051 0.453 19945 15 1 3 "Average Difference" C 173 1.265 0.014 1.269 19945 16 1 3 "Average Difference" CA 174 1.230 -0.088 1.230 19945 17 1 3 "Average Difference" CB 158 1.239 -0.058 1.242 19945 18 1 3 "Average Difference" HN 168 0.822 -0.024 0.824 19945 19 1 4 "Average Difference" N 168 3.504 -0.137 3.511 19945 20 1 4 "Average Difference" HA 189 0.513 -0.058 0.511 19945 21 1 4 "Average Difference" C 173 1.327 0.058 1.330 19945 22 1 4 "Average Difference" CA 174 1.260 -0.128 1.257 19945 23 1 4 "Average Difference" CB 158 1.212 -0.091 1.213 19945 24 1 4 "Average Difference" HN 168 0.839 -0.027 0.841 19945 25 1 5 "Average Difference" N 168 3.726 -0.187 3.732 19945 26 1 5 "Average Difference" HA 189 0.507 -0.074 0.503 19945 27 1 5 "Average Difference" C 173 1.297 0.056 1.300 19945 28 1 5 "Average Difference" CA 174 1.305 -0.116 1.303 19945 29 1 5 "Average Difference" CB 158 1.216 -0.123 1.214 19945 30 1 5 "Average Difference" HN 168 0.842 -0.050 0.843 19945 31 1 6 "Average Difference" N 168 3.464 0.015 3.474 19945 32 1 6 "Average Difference" HA 189 0.445 -0.055 0.443 19945 33 1 6 "Average Difference" C 173 1.265 -0.004 1.269 19945 34 1 6 "Average Difference" CA 174 1.204 -0.187 1.193 19945 35 1 6 "Average Difference" CB 158 1.244 -0.096 1.244 19945 36 1 6 "Average Difference" HN 168 0.827 -0.021 0.829 19945 37 1 7 "Average Difference" N 168 3.496 -0.064 3.506 19945 38 1 7 "Average Difference" HA 189 0.492 -0.062 0.490 19945 39 1 7 "Average Difference" C 173 1.308 0.032 1.311 19945 40 1 7 "Average Difference" CA 174 1.204 -0.069 1.206 19945 41 1 7 "Average Difference" CB 158 1.299 -0.076 1.301 19945 42 1 7 "Average Difference" HN 168 0.798 -0.046 0.799 19945 43 1 8 "Average Difference" N 168 3.488 0.089 3.498 19945 44 1 8 "Average Difference" HA 189 0.483 -0.067 0.479 19945 45 1 8 "Average Difference" C 173 1.299 0.030 1.303 19945 46 1 8 "Average Difference" CA 174 1.274 -0.047 1.277 19945 47 1 8 "Average Difference" CB 158 1.276 -0.029 1.280 19945 48 1 8 "Average Difference" HN 168 0.807 -0.024 0.809 19945 49 1 9 "Average Difference" N 168 3.640 -0.077 3.650 19945 50 1 9 "Average Difference" HA 189 0.523 -0.063 0.520 19945 51 1 9 "Average Difference" C 173 1.301 0.031 1.304 19945 52 1 9 "Average Difference" CA 174 1.283 -0.089 1.284 19945 53 1 9 "Average Difference" CB 158 1.245 -0.071 1.247 19945 54 1 9 "Average Difference" HN 168 0.814 -0.030 0.816 19945 55 1 10 "Average Difference" N 168 3.522 -0.055 3.532 19945 56 1 10 "Average Difference" HA 189 0.481 -0.059 0.479 19945 57 1 10 "Average Difference" C 173 1.296 -0.006 1.300 19945 58 1 10 "Average Difference" CA 174 1.269 -0.157 1.263 19945 59 1 10 "Average Difference" CB 158 1.294 -0.098 1.294 19945 60 1 10 "Average Difference" HN 168 0.833 -0.017 0.835 19945 61 1 11 "Average Difference" N 168 3.414 -0.051 3.424 19945 62 1 11 "Average Difference" HA 189 0.479 -0.053 0.477 19945 63 1 11 "Average Difference" C 173 1.309 0.071 1.310 19945 64 1 11 "Average Difference" CA 174 1.335 -0.077 1.337 19945 65 1 11 "Average Difference" CB 158 1.263 0.006 1.267 19945 66 1 11 "Average Difference" HN 168 0.811 -0.028 0.813 19945 67 1 12 "Average Difference" N 168 3.570 -0.258 3.572 19945 68 1 12 "Average Difference" HA 189 0.498 -0.060 0.495 19945 69 1 12 "Average Difference" C 173 1.272 0.072 1.274 19945 70 1 12 "Average Difference" CA 174 1.227 -0.131 1.223 19945 71 1 12 "Average Difference" CB 158 1.161 -0.057 1.163 19945 72 1 12 "Average Difference" HN 168 0.822 -0.023 0.824 19945 73 1 13 "Average Difference" N 168 3.483 -0.152 3.490 19945 74 1 13 "Average Difference" HA 189 0.486 -0.059 0.484 19945 75 1 13 "Average Difference" C 173 1.353 0.017 1.357 19945 76 1 13 "Average Difference" CA 174 1.197 -0.101 1.197 19945 77 1 13 "Average Difference" CB 158 1.355 0.009 1.360 19945 78 1 13 "Average Difference" HN 168 0.849 -0.029 0.851 19945 79 1 14 "Average Difference" N 168 3.499 0.005 3.510 19945 80 1 14 "Average Difference" HA 189 0.481 -0.062 0.479 19945 81 1 14 "Average Difference" C 173 1.293 0.061 1.295 19945 82 1 14 "Average Difference" CA 174 1.156 -0.094 1.156 19945 83 1 14 "Average Difference" CB 158 1.224 -0.059 1.226 19945 84 1 14 "Average Difference" HN 168 0.839 -0.006 0.841 19945 85 1 15 "Average Difference" N 168 3.614 -0.081 3.623 19945 86 1 15 "Average Difference" HA 189 0.494 -0.078 0.489 19945 87 1 15 "Average Difference" C 173 1.263 0.065 1.265 19945 88 1 15 "Average Difference" CA 174 1.350 -0.048 1.353 19945 89 1 15 "Average Difference" CB 158 1.284 -0.108 1.283 19945 90 1 15 "Average Difference" HN 168 0.852 -0.014 0.854 19945 91 1 16 "Average Difference" N 168 3.426 0.042 3.436 19945 92 1 16 "Average Difference" HA 189 0.505 -0.040 0.505 19945 93 1 16 "Average Difference" C 173 1.323 -0.016 1.327 19945 94 1 16 "Average Difference" CA 174 1.143 -0.172 1.133 19945 95 1 16 "Average Difference" CB 158 1.373 0.019 1.377 19945 96 1 16 "Average Difference" HN 168 0.809 0.010 0.812 19945 97 1 17 "Average Difference" N 168 3.635 0.087 3.645 19945 98 1 17 "Average Difference" HA 189 0.472 -0.054 0.470 19945 99 1 17 "Average Difference" C 173 1.297 0.075 1.299 19945 100 1 17 "Average Difference" CA 174 1.251 -0.063 1.253 19945 101 1 17 "Average Difference" CB 158 1.330 -0.077 1.332 19945 102 1 17 "Average Difference" HN 168 0.800 -0.002 0.802 19945 103 1 18 "Average Difference" N 168 3.572 -0.034 3.582 19945 104 1 18 "Average Difference" HA 189 0.462 -0.036 0.462 19945 105 1 18 "Average Difference" C 173 1.307 -0.004 1.311 19945 106 1 18 "Average Difference" CA 174 1.209 -0.203 1.195 19945 107 1 18 "Average Difference" CB 158 1.277 -0.000 1.281 19945 108 1 18 "Average Difference" HN 168 0.822 -0.019 0.824 19945 109 1 19 "Average Difference" N 168 3.708 -0.074 3.718 19945 110 1 19 "Average Difference" HA 189 0.521 -0.043 0.520 19945 111 1 19 "Average Difference" C 173 1.241 0.047 1.244 19945 112 1 19 "Average Difference" CA 174 1.208 -0.092 1.208 19945 113 1 19 "Average Difference" CB 158 1.183 -0.057 1.186 19945 114 1 19 "Average Difference" HN 168 0.855 -0.036 0.856 19945 115 1 20 "Average Difference" N 168 3.203 -0.109 3.211 19945 116 1 20 "Average Difference" HA 189 0.484 -0.051 0.483 19945 117 1 20 "Average Difference" C 173 1.233 0.012 1.236 19945 118 1 20 "Average Difference" CA 174 1.183 -0.153 1.177 19945 119 1 20 "Average Difference" CB 158 1.247 -0.026 1.251 19945 120 1 20 "Average Difference" HN 168 0.829 -0.069 0.828 19945 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 19945 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.252 4.252 4.656 -0.404 19945 2 1 . 1 1 2 2 ALA C C 2 174.479 174.479 177.780 -3.301 19945 3 1 . 1 1 2 2 ALA CA C 2 53.468 53.468 52.138 1.330 19945 4 1 . 1 1 2 2 ALA CB C 2 19.167 19.167 19.850 -0.683 19945 5 1 . 1 1 3 3 ILE N N 3 116.571 116.571 114.886 1.685 19945 6 1 . 1 1 3 3 ILE HA H 3 4.545 4.545 4.488 0.057 19945 7 1 . 1 1 3 3 ILE C C 3 175.806 175.806 175.789 0.017 19945 8 1 . 1 1 3 3 ILE CA C 3 63.195 63.195 61.959 1.236 19945 9 1 . 1 1 3 3 ILE CB C 3 39.410 39.410 38.963 0.447 19945 10 1 . 1 1 3 3 ILE H H 3 8.456 8.456 8.292 0.164 19945 11 1 . 1 1 4 4 THR N N 4 115.734 115.734 118.227 -2.493 19945 12 1 . 1 1 4 4 THR HA H 4 5.124 5.124 5.095 0.029 19945 13 1 . 1 1 4 4 THR C C 4 172.410 172.410 173.512 -1.102 19945 14 1 . 1 1 4 4 THR CA C 4 61.724 61.724 61.337 0.387 19945 15 1 . 1 1 4 4 THR CB C 4 70.059 70.059 70.566 -0.507 19945 16 1 . 1 1 4 4 THR H H 4 8.244 8.244 8.115 0.129 19945 17 1 . 1 1 5 5 GLY N N 5 116.016 116.016 112.683 3.333 19945 18 1 . 1 1 5 5 GLY C C 5 171.077 171.077 172.400 -1.323 19945 19 1 . 1 1 5 5 GLY CA C 5 43.509 43.509 43.160 0.349 19945 20 1 . 1 1 5 5 GLY H H 5 8.554 8.554 8.844 -0.290 19945 21 1 . 1 1 6 6 ILE N N 6 126.504 126.504 126.761 -0.257 19945 22 1 . 1 1 6 6 ILE HA H 6 5.451 5.451 4.849 0.602 19945 23 1 . 1 1 6 6 ILE C C 6 175.245 175.245 174.703 0.542 19945 24 1 . 1 1 6 6 ILE CA C 6 59.918 59.918 60.901 -0.983 19945 25 1 . 1 1 6 6 ILE CB C 6 38.208 38.208 38.382 -0.174 19945 26 1 . 1 1 6 6 ILE H H 6 8.719 8.719 8.958 -0.239 19945 27 1 . 1 1 7 7 PHE N N 7 127.559 127.559 126.917 0.642 19945 28 1 . 1 1 7 7 PHE HA H 7 5.613 5.613 5.438 0.175 19945 29 1 . 1 1 7 7 PHE C C 7 174.634 174.634 175.202 -0.568 19945 30 1 . 1 1 7 7 PHE CA C 7 55.663 55.663 56.264 -0.601 19945 31 1 . 1 1 7 7 PHE CB C 7 41.688 41.688 40.813 0.875 19945 32 1 . 1 1 7 7 PHE H H 7 9.609 9.609 9.465 0.144 19945 33 1 . 1 1 8 8 PHE N N 8 120.006 120.006 120.869 -0.863 19945 34 1 . 1 1 8 8 PHE HA H 8 6.224 6.224 5.477 0.747 19945 35 1 . 1 1 8 8 PHE C C 8 171.212 171.212 174.297 -3.085 19945 36 1 . 1 1 8 8 PHE CA C 8 54.679 54.679 55.184 -0.505 19945 37 1 . 1 1 8 8 PHE CB C 8 43.521 43.521 42.262 1.259 19945 38 1 . 1 1 8 8 PHE H H 8 8.545 8.545 8.882 -0.337 19945 39 1 . 1 1 9 9 GLY N N 9 109.650 109.650 109.517 0.133 19945 40 1 . 1 1 9 9 GLY C C 9 172.512 172.512 172.603 -0.091 19945 41 1 . 1 1 9 9 GLY CA C 9 44.318 44.318 43.743 0.575 19945 42 1 . 1 1 9 9 GLY H H 9 7.701 7.701 8.146 -0.445 19945 43 1 . 1 1 10 10 SER N N 10 115.953 115.953 116.099 -0.146 19945 44 1 . 1 1 10 10 SER HA H 10 5.001 5.001 4.824 0.177 19945 45 1 . 1 1 10 10 SER C C 10 173.439 173.439 173.003 0.436 19945 46 1 . 1 1 10 10 SER CA C 10 58.308 58.308 57.918 0.390 19945 47 1 . 1 1 10 10 SER CB C 10 66.423 66.423 66.717 -0.294 19945 48 1 . 1 1 10 10 SER H H 10 8.634 8.634 8.144 0.490 19945 49 1 . 1 1 11 11 ASP N N 11 104.000 104.000 120.764 -16.764 19945 50 1 . 1 1 11 11 ASP HA H 11 4.974 4.974 4.620 0.354 19945 51 1 . 1 1 11 11 ASP C C 11 179.108 179.108 177.087 2.021 19945 52 1 . 1 1 11 11 ASP CA C 11 55.549 55.549 55.437 0.112 19945 53 1 . 1 1 11 11 ASP CB C 11 40.100 40.100 41.217 -1.117 19945 54 1 . 1 1 11 11 ASP H H 11 11.201 11.201 8.770 2.431 19945 55 1 . 1 1 12 12 THR N N 12 112.000 112.000 112.864 -0.864 19945 56 1 . 1 1 12 12 THR HA H 12 4.804 4.804 4.425 0.379 19945 57 1 . 1 1 12 12 THR C C 12 175.080 175.080 175.708 -0.628 19945 58 1 . 1 1 12 12 THR CA C 12 60.237 60.237 62.534 -2.297 19945 59 1 . 1 1 12 12 THR CB C 12 68.567 68.567 69.263 -0.696 19945 60 1 . 1 1 12 12 THR H H 12 9.311 9.311 8.243 1.068 19945 61 1 . 1 1 13 13 GLY N N 13 112.221 112.221 110.474 1.747 19945 62 1 . 1 1 13 13 GLY C C 13 176.690 176.690 174.973 1.717 19945 63 1 . 1 1 13 13 GLY CA C 13 46.300 46.300 45.161 1.139 19945 64 1 . 1 1 13 13 GLY H H 13 8.000 8.000 8.328 -0.328 19945 65 1 . 1 1 14 14 ASN N N 14 128.520 128.520 118.705 9.815 19945 66 1 . 1 1 14 14 ASN HA H 14 4.626 4.626 4.509 0.117 19945 67 1 . 1 1 14 14 ASN C C 14 178.888 178.888 176.919 1.969 19945 68 1 . 1 1 14 14 ASN CA C 14 57.064 57.064 55.439 1.625 19945 69 1 . 1 1 14 14 ASN CB C 14 36.834 36.834 38.678 -1.844 19945 70 1 . 1 1 14 14 ASN H H 14 11.112 11.112 8.470 2.642 19945 71 1 . 1 1 15 15 THR N N 15 122.550 122.550 116.023 6.527 19945 72 1 . 1 1 15 15 THR HA H 15 4.369 4.369 4.058 0.311 19945 73 1 . 1 1 15 15 THR C C 15 176.786 176.786 175.801 0.985 19945 74 1 . 1 1 15 15 THR CA C 15 67.325 67.325 65.775 1.550 19945 75 1 . 1 1 15 15 THR CB C 15 67.961 67.961 68.397 -0.436 19945 76 1 . 1 1 15 15 THR H H 15 11.327 11.327 7.945 3.382 19945 77 1 . 1 1 16 16 GLU N N 16 120.578 120.578 121.834 -1.256 19945 78 1 . 1 1 16 16 GLU HA H 16 2.287 2.287 2.784 -0.497 19945 79 1 . 1 1 16 16 GLU C C 16 176.642 176.642 177.963 -1.321 19945 80 1 . 1 1 16 16 GLU CA C 16 59.069 59.069 59.286 -0.217 19945 81 1 . 1 1 16 16 GLU CB C 16 28.377 28.377 28.938 -0.561 19945 82 1 . 1 1 16 16 GLU H H 16 6.590 6.590 8.024 -1.434 19945 83 1 . 1 1 17 17 ASN N N 17 118.000 118.000 118.092 -0.092 19945 84 1 . 1 1 17 17 ASN HA H 17 4.310 4.310 4.440 -0.130 19945 85 1 . 1 1 17 17 ASN C C 17 178.255 178.255 177.637 0.618 19945 86 1 . 1 1 17 17 ASN CA C 17 56.301 56.301 55.811 0.490 19945 87 1 . 1 1 17 17 ASN CB C 17 37.638 37.638 38.103 -0.465 19945 88 1 . 1 1 17 17 ASN H H 17 7.705 7.705 7.608 0.097 19945 89 1 . 1 1 18 18 ILE N N 18 119.430 119.430 120.159 -0.729 19945 90 1 . 1 1 18 18 ILE HA H 18 3.652 3.652 3.675 -0.023 19945 91 1 . 1 1 18 18 ILE C C 18 177.564 177.564 177.663 -0.099 19945 92 1 . 1 1 18 18 ILE CA C 18 62.500 62.500 63.163 -0.663 19945 93 1 . 1 1 18 18 ILE CB C 18 34.551 34.551 36.439 -1.888 19945 94 1 . 1 1 18 18 ILE H H 18 8.141 8.141 7.441 0.700 19945 95 1 . 1 1 19 19 ALA N N 19 123.208 123.208 122.525 0.683 19945 96 1 . 1 1 19 19 ALA HA H 19 3.669 3.669 3.784 -0.115 19945 97 1 . 1 1 19 19 ALA C C 19 178.888 178.888 179.570 -0.682 19945 98 1 . 1 1 19 19 ALA CA C 19 55.655 55.655 55.478 0.177 19945 99 1 . 1 1 19 19 ALA CB C 19 18.815 18.815 18.024 0.791 19945 100 1 . 1 1 19 19 ALA H H 19 8.304 8.304 8.371 -0.067 19945 101 1 . 1 1 20 20 LYS N N 20 116.460 116.460 118.815 -2.355 19945 102 1 . 1 1 20 20 LYS HA H 20 3.816 3.816 3.977 -0.161 19945 103 1 . 1 1 20 20 LYS C C 20 179.666 179.666 179.093 0.573 19945 104 1 . 1 1 20 20 LYS CA C 20 59.822 59.822 59.395 0.427 19945 105 1 . 1 1 20 20 LYS CB C 20 32.098 32.098 32.317 -0.219 19945 106 1 . 1 1 20 20 LYS H H 20 7.722 7.722 7.958 -0.236 19945 107 1 . 1 1 21 21 MET N N 21 123.880 123.880 118.810 5.070 19945 108 1 . 1 1 21 21 MET HA H 21 3.946 3.946 4.043 -0.097 19945 109 1 . 1 1 21 21 MET C C 21 179.435 179.435 178.673 0.762 19945 110 1 . 1 1 21 21 MET CA C 21 59.662 59.662 59.286 0.376 19945 111 1 . 1 1 21 21 MET CB C 21 34.262 34.262 32.545 1.717 19945 112 1 . 1 1 21 21 MET H H 21 8.336 8.336 8.073 0.263 19945 113 1 . 1 1 22 22 ILE N N 22 122.065 122.065 120.610 1.455 19945 114 1 . 1 1 22 22 ILE HA H 22 3.245 3.245 3.569 -0.324 19945 115 1 . 1 1 22 22 ILE C C 22 177.592 177.592 177.748 -0.156 19945 116 1 . 1 1 22 22 ILE CA C 22 65.724 65.724 65.621 0.103 19945 117 1 . 1 1 22 22 ILE CB C 22 37.677 37.677 37.570 0.107 19945 118 1 . 1 1 22 22 ILE H H 22 8.500 8.500 8.217 0.283 19945 119 1 . 1 1 23 23 GLN N N 23 119.264 119.264 119.811 -0.547 19945 120 1 . 1 1 23 23 GLN HA H 23 3.444 3.444 3.837 -0.393 19945 121 1 . 1 1 23 23 GLN C C 23 177.017 177.017 178.239 -1.222 19945 122 1 . 1 1 23 23 GLN CA C 23 59.691 59.691 59.365 0.326 19945 123 1 . 1 1 23 23 GLN CB C 23 27.848 27.848 28.618 -0.770 19945 124 1 . 1 1 23 23 GLN H H 23 7.985 7.985 8.348 -0.363 19945 125 1 . 1 1 24 24 LYS N N 24 118.970 118.970 118.400 0.570 19945 126 1 . 1 1 24 24 LYS HA H 24 3.920 3.920 4.012 -0.092 19945 127 1 . 1 1 24 24 LYS C C 24 178.427 178.427 179.253 -0.826 19945 128 1 . 1 1 24 24 LYS CA C 24 59.160 59.160 58.681 0.479 19945 129 1 . 1 1 24 24 LYS CB C 24 32.364 32.364 31.991 0.373 19945 130 1 . 1 1 24 24 LYS H H 24 7.942 7.942 8.212 -0.270 19945 131 1 . 1 1 25 25 GLN N N 25 118.400 118.400 117.749 0.651 19945 132 1 . 1 1 25 25 GLN HA H 25 4.003 4.003 4.101 -0.098 19945 133 1 . 1 1 25 25 GLN C C 25 178.226 178.226 177.881 0.345 19945 134 1 . 1 1 25 25 GLN CA C 25 58.083 58.083 57.997 0.086 19945 135 1 . 1 1 25 25 GLN CB C 25 28.910 28.910 28.950 -0.040 19945 136 1 . 1 1 25 25 GLN H H 25 7.636 7.636 7.644 -0.008 19945 137 1 . 1 1 26 26 LEU N N 26 119.080 119.080 117.102 1.978 19945 138 1 . 1 1 26 26 LEU HA H 26 4.019 4.019 4.203 -0.184 19945 139 1 . 1 1 26 26 LEU C C 26 177.247 177.247 177.198 0.049 19945 140 1 . 1 1 26 26 LEU CA C 26 57.069 57.069 55.867 1.201 19945 141 1 . 1 1 26 26 LEU CB C 26 43.149 43.149 42.744 0.404 19945 142 1 . 1 1 26 26 LEU H H 26 8.098 8.098 7.819 0.279 19945 143 1 . 1 1 27 27 GLY N N 27 107.750 107.750 105.330 2.420 19945 144 1 . 1 1 27 27 GLY C C 27 175.231 175.231 174.522 0.709 19945 145 1 . 1 1 27 27 GLY CA C 27 44.060 44.060 44.548 -0.488 19945 146 1 . 1 1 27 27 GLY H H 27 8.050 8.050 7.891 0.159 19945 147 1 . 1 1 28 28 LYS N N 28 125.187 125.187 122.590 2.597 19945 148 1 . 1 1 28 28 LYS HA H 28 4.223 4.223 4.224 -0.001 19945 149 1 . 1 1 28 28 LYS C C 28 176.372 176.372 176.897 -0.525 19945 150 1 . 1 1 28 28 LYS CA C 28 58.929 58.929 58.057 0.872 19945 151 1 . 1 1 28 28 LYS CB C 28 32.098 32.098 32.396 -0.298 19945 152 1 . 1 1 28 28 LYS H H 28 8.786 8.786 8.575 0.211 19945 153 1 . 1 1 29 29 ASP N N 29 115.960 115.960 116.065 -0.105 19945 154 1 . 1 1 29 29 ASP HA H 29 4.575 4.575 4.552 0.023 19945 155 1 . 1 1 29 29 ASP C C 29 176.437 176.437 177.562 -1.125 19945 156 1 . 1 1 29 29 ASP CA C 29 55.210 55.210 56.090 -0.880 19945 157 1 . 1 1 29 29 ASP CB C 29 39.802 39.802 40.777 -0.975 19945 158 1 . 1 1 29 29 ASP H H 29 8.919 8.919 8.318 0.601 19945 159 1 . 1 1 30 30 VAL N N 30 120.609 120.609 118.582 2.027 19945 160 1 . 1 1 30 30 VAL HA H 30 4.056 4.056 4.036 0.020 19945 161 1 . 1 1 30 30 VAL C C 30 174.656 174.656 174.890 -0.234 19945 162 1 . 1 1 30 30 VAL CA C 30 63.720 63.720 63.394 0.326 19945 163 1 . 1 1 30 30 VAL CB C 30 32.838 32.838 32.906 -0.068 19945 164 1 . 1 1 30 30 VAL H H 30 7.573 7.573 7.572 0.001 19945 165 1 . 1 1 31 31 ALA N N 31 123.100 123.100 119.513 3.587 19945 166 1 . 1 1 31 31 ALA HA H 31 5.531 5.531 5.204 0.327 19945 167 1 . 1 1 31 31 ALA C C 31 175.174 175.174 174.762 0.412 19945 168 1 . 1 1 31 31 ALA CA C 31 50.162 50.162 50.408 -0.246 19945 169 1 . 1 1 31 31 ALA CB C 31 23.331 23.331 22.520 0.811 19945 170 1 . 1 1 31 31 ALA H H 31 7.951 7.951 8.082 -0.131 19945 171 1 . 1 1 32 32 ASP N N 32 121.576 121.576 120.496 1.080 19945 172 1 . 1 1 32 32 ASP HA H 32 4.869 4.869 5.002 -0.133 19945 173 1 . 1 1 32 32 ASP C C 32 174.771 174.771 174.318 0.453 19945 174 1 . 1 1 32 32 ASP CA C 32 52.412 52.412 52.069 0.343 19945 175 1 . 1 1 32 32 ASP CB C 32 43.787 43.787 44.996 -1.209 19945 176 1 . 1 1 32 32 ASP H H 32 8.175 8.175 8.599 -0.424 19945 177 1 . 1 1 33 33 VAL N N 33 120.428 120.428 122.524 -2.096 19945 178 1 . 1 1 33 33 VAL HA H 33 4.657 4.657 4.768 -0.111 19945 179 1 . 1 1 33 33 VAL C C 33 174.252 174.252 175.059 -0.807 19945 180 1 . 1 1 33 33 VAL CA C 33 61.303 61.303 61.629 -0.326 19945 181 1 . 1 1 33 33 VAL CB C 33 33.876 33.876 33.574 0.302 19945 182 1 . 1 1 33 33 VAL H H 33 8.397 8.397 8.267 0.130 19945 183 1 . 1 1 34 34 HIS N N 34 125.285 125.285 124.950 0.335 19945 184 1 . 1 1 34 34 HIS HA H 34 4.553 4.553 4.881 -0.328 19945 185 1 . 1 1 34 34 HIS C C 34 171.920 171.920 172.672 -0.752 19945 186 1 . 1 1 34 34 HIS CA C 34 53.571 53.571 54.809 -1.238 19945 187 1 . 1 1 34 34 HIS CB C 34 33.420 33.420 34.082 -0.662 19945 188 1 . 1 1 34 34 HIS H H 34 8.945 8.945 9.195 -0.250 19945 189 1 . 1 1 35 35 ASP N N 35 124.120 124.120 120.132 3.988 19945 190 1 . 1 1 35 35 ASP HA H 35 3.297 3.297 4.664 -1.367 19945 191 1 . 1 1 35 35 ASP C C 35 179.780 179.780 176.605 3.175 19945 192 1 . 1 1 35 35 ASP CA C 35 51.756 51.756 52.706 -0.950 19945 193 1 . 1 1 35 35 ASP CB C 35 41.396 41.396 42.647 -1.251 19945 194 1 . 1 1 35 35 ASP H H 35 8.589 8.589 8.656 -0.067 19945 195 1 . 1 1 36 36 ILE N N 36 106.681 106.681 126.702 -20.021 19945 196 1 . 1 1 36 36 ILE HA H 36 3.554 3.554 3.393 0.161 19945 197 1 . 1 1 36 36 ILE C C 36 175.404 175.404 176.500 -1.096 19945 198 1 . 1 1 36 36 ILE CA C 36 59.350 59.350 62.415 -3.066 19945 199 1 . 1 1 36 36 ILE CB C 36 39.271 39.271 37.130 2.141 19945 200 1 . 1 1 36 36 ILE H H 36 9.705 9.705 8.623 1.082 19945 201 1 . 1 1 37 37 ALA N N 37 123.095 123.095 121.599 1.496 19945 202 1 . 1 1 37 37 ALA HA H 37 4.089 4.089 4.015 0.074 19945 203 1 . 1 1 37 37 ALA C C 37 178.140 178.140 178.271 -0.131 19945 204 1 . 1 1 37 37 ALA CA C 37 53.616 53.616 54.362 -0.746 19945 205 1 . 1 1 37 37 ALA CB C 37 19.346 19.346 18.690 0.656 19945 206 1 . 1 1 37 37 ALA H H 37 8.261 8.261 8.106 0.155 19945 207 1 . 1 1 38 38 LYS N N 38 115.312 115.312 116.454 -1.142 19945 208 1 . 1 1 38 38 LYS HA H 38 4.611 4.611 4.298 0.313 19945 209 1 . 1 1 38 38 LYS C C 38 176.498 176.498 176.929 -0.431 19945 210 1 . 1 1 38 38 LYS CA C 38 54.147 54.147 56.479 -2.332 19945 211 1 . 1 1 38 38 LYS CB C 38 33.426 33.426 32.920 0.506 19945 212 1 . 1 1 38 38 LYS H H 38 7.437 7.437 7.739 -0.302 19945 213 1 . 1 1 39 39 SER N N 39 115.623 115.623 116.433 -0.810 19945 214 1 . 1 1 39 39 SER HA H 39 5.019 5.019 4.455 0.564 19945 215 1 . 1 1 39 39 SER C C 39 171.402 171.402 173.747 -2.345 19945 216 1 . 1 1 39 39 SER CA C 39 58.929 58.929 59.213 -0.284 19945 217 1 . 1 1 39 39 SER CB C 39 65.538 65.538 64.050 1.488 19945 218 1 . 1 1 39 39 SER H H 39 7.051 7.051 7.496 -0.445 19945 219 1 . 1 1 40 40 SER N N 40 118.860 118.860 115.821 3.039 19945 220 1 . 1 1 40 40 SER HA H 40 5.025 5.025 4.872 0.153 19945 221 1 . 1 1 40 40 SER C C 40 174.741 174.741 175.018 -0.277 19945 222 1 . 1 1 40 40 SER CA C 40 56.003 56.003 57.086 -1.083 19945 223 1 . 1 1 40 40 SER CB C 40 67.416 67.416 65.791 1.625 19945 224 1 . 1 1 40 40 SER H H 40 9.377 9.377 8.250 1.127 19945 225 1 . 1 1 41 41 LYS N N 41 122.504 122.504 122.949 -0.445 19945 226 1 . 1 1 41 41 LYS HA H 41 3.738 3.738 4.015 -0.277 19945 227 1 . 1 1 41 41 LYS C C 41 177.391 177.391 178.116 -0.725 19945 228 1 . 1 1 41 41 LYS CA C 41 60.973 60.973 59.831 1.142 19945 229 1 . 1 1 41 41 LYS CB C 41 33.307 33.307 32.316 0.991 19945 230 1 . 1 1 41 41 LYS H H 41 9.098 9.098 8.851 0.247 19945 231 1 . 1 1 42 42 GLU N N 42 115.836 115.836 115.666 0.170 19945 232 1 . 1 1 42 42 GLU HA H 42 4.128 4.128 4.228 -0.100 19945 233 1 . 1 1 42 42 GLU C C 42 178.773 178.773 177.930 0.843 19945 234 1 . 1 1 42 42 GLU CA C 42 59.992 59.992 58.095 1.897 19945 235 1 . 1 1 42 42 GLU CB C 42 28.644 28.644 29.257 -0.613 19945 236 1 . 1 1 42 42 GLU H H 42 8.839 8.839 8.560 0.279 19945 237 1 . 1 1 43 43 ASP N N 43 119.589 119.589 120.613 -1.024 19945 238 1 . 1 1 43 43 ASP HA H 43 4.486 4.486 4.498 -0.012 19945 239 1 . 1 1 43 43 ASP C C 43 177.564 177.564 178.067 -0.503 19945 240 1 . 1 1 43 43 ASP CA C 43 57.601 57.601 56.606 0.995 19945 241 1 . 1 1 43 43 ASP CB C 43 40.806 40.806 40.951 -0.144 19945 242 1 . 1 1 43 43 ASP H H 43 7.794 7.794 7.776 0.018 19945 243 1 . 1 1 44 44 LEU N N 44 118.745 118.745 119.490 -0.745 19945 244 1 . 1 1 44 44 LEU HA H 44 3.971 3.971 4.302 -0.331 19945 245 1 . 1 1 44 44 LEU C C 44 178.600 178.600 179.009 -0.409 19945 246 1 . 1 1 44 44 LEU CA C 44 59.882 59.882 57.978 1.904 19945 247 1 . 1 1 44 44 LEU CB C 44 42.724 42.724 42.048 0.676 19945 248 1 . 1 1 44 44 LEU H H 44 6.854 6.854 7.706 -0.852 19945 249 1 . 1 1 45 45 GLU N N 45 114.280 114.280 118.168 -3.888 19945 250 1 . 1 1 45 45 GLU HA H 45 3.627 3.627 4.021 -0.394 19945 251 1 . 1 1 45 45 GLU C C 45 176.988 176.988 177.955 -0.967 19945 252 1 . 1 1 45 45 GLU CA C 45 58.676 58.676 58.645 0.031 19945 253 1 . 1 1 45 45 GLU CB C 45 30.238 30.238 29.193 1.045 19945 254 1 . 1 1 45 45 GLU H H 45 7.571 7.571 7.838 -0.267 19945 255 1 . 1 1 46 46 ALA N N 46 118.860 118.860 121.208 -2.347 19945 256 1 . 1 1 46 46 ALA HA H 46 4.038 4.038 4.089 -0.051 19945 257 1 . 1 1 46 46 ALA C C 46 176.901 176.901 177.903 -1.002 19945 258 1 . 1 1 46 46 ALA CA C 46 53.319 53.319 53.226 0.093 19945 259 1 . 1 1 46 46 ALA CB C 46 19.081 19.081 18.915 0.166 19945 260 1 . 1 1 46 46 ALA H H 46 7.026 7.026 7.424 -0.398 19945 261 1 . 1 1 47 47 TYR N N 47 115.674 115.674 116.607 -0.933 19945 262 1 . 1 1 47 47 TYR HA H 47 4.731 4.731 4.503 0.228 19945 263 1 . 1 1 47 47 TYR C C 47 175.807 175.807 175.689 0.118 19945 264 1 . 1 1 47 47 TYR CA C 47 57.607 57.607 59.288 -1.681 19945 265 1 . 1 1 47 47 TYR CB C 47 41.662 41.662 39.800 1.862 19945 266 1 . 1 1 47 47 TYR H H 47 7.277 7.277 7.479 -0.202 19945 267 1 . 1 1 48 48 ASP N N 48 121.598 121.598 120.696 0.902 19945 268 1 . 1 1 48 48 ASP HA H 48 4.908 4.908 4.878 0.030 19945 269 1 . 1 1 48 48 ASP C C 48 175.030 175.030 175.598 -0.568 19945 270 1 . 1 1 48 48 ASP CA C 48 55.208 55.208 55.025 0.183 19945 271 1 . 1 1 48 48 ASP CB C 48 41.646 41.646 42.811 -1.165 19945 272 1 . 1 1 48 48 ASP H H 48 9.546 9.546 8.602 0.944 19945 273 1 . 1 1 49 49 ILE N N 49 119.608 119.608 119.893 -0.285 19945 274 1 . 1 1 49 49 ILE HA H 49 5.294 5.294 5.090 0.204 19945 275 1 . 1 1 49 49 ILE C C 49 175.059 175.059 174.508 0.551 19945 276 1 . 1 1 49 49 ILE CA C 49 60.530 60.530 60.241 0.289 19945 277 1 . 1 1 49 49 ILE CB C 49 40.068 40.068 40.131 -0.063 19945 278 1 . 1 1 49 49 ILE H H 49 7.331 7.331 7.851 -0.520 19945 279 1 . 1 1 50 50 LEU N N 50 127.901 127.901 126.831 1.070 19945 280 1 . 1 1 50 50 LEU HA H 50 5.660 5.660 5.297 0.363 19945 281 1 . 1 1 50 50 LEU C C 50 174.598 174.598 175.230 -0.632 19945 282 1 . 1 1 50 50 LEU CA C 50 52.819 52.819 53.534 -0.715 19945 283 1 . 1 1 50 50 LEU CB C 50 48.037 48.037 44.775 3.262 19945 284 1 . 1 1 50 50 LEU H H 50 9.095 9.095 9.049 0.046 19945 285 1 . 1 1 51 51 LEU N N 51 123.440 123.440 125.071 -1.631 19945 286 1 . 1 1 51 51 LEU HA H 51 6.032 6.032 5.381 0.651 19945 287 1 . 1 1 51 51 LEU C C 51 175.894 175.894 175.420 0.474 19945 288 1 . 1 1 51 51 LEU CA C 51 53.311 53.311 54.101 -0.790 19945 289 1 . 1 1 51 51 LEU CB C 51 44.318 44.318 44.329 -0.011 19945 290 1 . 1 1 51 51 LEU H H 51 9.275 9.275 9.336 -0.061 19945 291 1 . 1 1 52 52 LEU N N 52 123.320 123.320 125.319 -1.999 19945 292 1 . 1 1 52 52 LEU HA H 52 5.656 5.656 5.408 0.248 19945 293 1 . 1 1 52 52 LEU C C 52 173.763 173.763 175.900 -2.137 19945 294 1 . 1 1 52 52 LEU CA C 52 52.877 52.877 53.470 -0.593 19945 295 1 . 1 1 52 52 LEU CB C 52 41.486 41.486 43.640 -2.154 19945 296 1 . 1 1 52 52 LEU H H 52 9.024 9.024 9.157 -0.133 19945 297 1 . 1 1 53 53 GLY N N 53 110.739 110.739 112.010 -1.271 19945 298 1 . 1 1 53 53 GLY C C 53 174.530 174.530 171.547 2.983 19945 299 1 . 1 1 53 53 GLY CA C 53 42.989 42.989 43.056 -0.067 19945 300 1 . 1 1 53 53 GLY H H 53 9.283 9.283 9.237 0.046 19945 301 1 . 1 1 54 54 ILE N N 54 126.032 126.032 124.060 1.972 19945 302 1 . 1 1 54 54 ILE HA H 54 5.206 5.206 4.233 0.973 19945 303 1 . 1 1 54 54 ILE CA C 54 56.007 56.007 56.758 -0.751 19945 304 1 . 1 1 54 54 ILE CB C 54 42.990 42.990 41.825 1.166 19945 305 1 . 1 1 54 54 ILE H H 54 9.136 9.136 8.465 0.671 19945 306 1 . 1 1 55 55 PRO HA H 55 5.317 5.317 4.850 0.467 19945 307 1 . 1 1 55 55 PRO C C 55 174.771 174.771 176.365 -1.594 19945 308 1 . 1 1 55 55 PRO CA C 55 61.748 61.748 61.920 -0.172 19945 309 1 . 1 1 55 55 PRO CB C 55 33.014 33.014 32.938 0.076 19945 310 1 . 1 1 56 56 THR N N 56 113.710 113.710 117.408 -3.698 19945 311 1 . 1 1 56 56 THR HA H 56 4.582 4.582 4.886 -0.304 19945 312 1 . 1 1 56 56 THR C C 56 171.719 171.719 173.850 -2.131 19945 313 1 . 1 1 56 56 THR CA C 56 62.383 62.383 62.692 -0.309 19945 314 1 . 1 1 56 56 THR CB C 56 69.692 69.692 70.613 -0.921 19945 315 1 . 1 1 56 56 THR H H 56 6.599 6.599 7.890 -1.291 19945 316 1 . 1 1 57 57 TRP N N 57 130.050 130.050 124.948 5.102 19945 317 1 . 1 1 57 57 TRP HA H 57 2.626 2.626 4.544 -1.918 19945 318 1 . 1 1 57 57 TRP C C 57 172.611 172.611 175.286 -2.675 19945 319 1 . 1 1 57 57 TRP CA C 57 56.275 56.275 56.769 -0.494 19945 320 1 . 1 1 57 57 TRP CB C 57 34.754 34.754 32.378 2.376 19945 321 1 . 1 1 57 57 TRP H H 57 8.865 8.865 8.873 -0.008 19945 322 1 . 1 1 58 58 TYR N N 58 112.793 112.793 117.628 -4.835 19945 323 1 . 1 1 58 58 TYR HA H 58 4.216 4.216 3.935 0.281 19945 324 1 . 1 1 58 58 TYR C C 58 173.619 173.619 174.690 -1.071 19945 325 1 . 1 1 58 58 TYR CA C 58 59.200 59.200 59.535 -0.335 19945 326 1 . 1 1 58 58 TYR CB C 58 36.200 36.200 36.668 -0.468 19945 327 1 . 1 1 58 58 TYR H H 58 5.730 5.730 8.311 -2.581 19945 328 1 . 1 1 59 59 TYR N N 59 112.220 112.220 117.402 -5.182 19945 329 1 . 1 1 59 59 TYR HA H 59 3.395 3.395 3.974 -0.579 19945 330 1 . 1 1 59 59 TYR C C 59 175.865 175.865 175.022 0.843 19945 331 1 . 1 1 59 59 TYR CA C 59 59.460 59.460 57.515 1.945 19945 332 1 . 1 1 59 59 TYR CB C 59 33.610 33.610 37.103 -3.492 19945 333 1 . 1 1 59 59 TYR H H 59 7.661 7.661 7.807 -0.146 19945 334 1 . 1 1 60 60 GLY N N 60 104.550 104.550 107.590 -3.040 19945 335 1 . 1 1 60 60 GLY C C 60 174.483 174.483 174.223 0.260 19945 336 1 . 1 1 60 60 GLY CA C 60 46.178 46.178 45.334 0.844 19945 337 1 . 1 1 60 60 GLY H H 60 8.142 8.142 8.112 0.030 19945 338 1 . 1 1 61 61 GLU N N 61 120.991 120.991 119.196 1.795 19945 339 1 . 1 1 61 61 GLU HA H 61 4.438 4.438 4.758 -0.320 19945 340 1 . 1 1 61 61 GLU C C 61 175.548 175.548 175.296 0.252 19945 341 1 . 1 1 61 61 GLU CA C 61 55.476 55.476 54.564 0.912 19945 342 1 . 1 1 61 61 GLU CB C 61 30.500 30.500 32.932 -2.432 19945 343 1 . 1 1 61 61 GLU H H 61 8.307 8.307 8.153 0.154 19945 344 1 . 1 1 62 62 ALA N N 62 122.750 122.750 124.066 -1.317 19945 345 1 . 1 1 62 62 ALA HA H 62 4.206 4.206 4.607 -0.401 19945 346 1 . 1 1 62 62 ALA C C 62 176.671 176.671 177.358 -0.687 19945 347 1 . 1 1 62 62 ALA CA C 62 51.810 51.810 51.663 0.147 19945 348 1 . 1 1 62 62 ALA CB C 62 21.206 21.206 20.174 1.032 19945 349 1 . 1 1 62 62 ALA H H 62 8.722 8.722 8.596 0.126 19945 350 1 . 1 1 63 63 GLN N N 63 120.579 120.579 118.948 1.631 19945 351 1 . 1 1 63 63 GLN HA H 63 3.886 3.886 4.152 -0.266 19945 352 1 . 1 1 63 63 GLN C C 63 176.757 176.757 177.306 -0.549 19945 353 1 . 1 1 63 63 GLN CA C 63 57.609 57.609 55.704 1.905 19945 354 1 . 1 1 63 63 GLN H H 63 6.302 6.302 8.621 -2.319 19945 355 1 . 1 1 64 64 CYS N N 64 125.487 125.487 123.074 2.413 19945 356 1 . 1 1 64 64 CYS HA H 64 4.111 4.111 4.048 0.063 19945 357 1 . 1 1 64 64 CYS C C 64 174.972 174.972 176.350 -1.378 19945 358 1 . 1 1 64 64 CYS CA C 64 61.489 61.489 62.345 -0.856 19945 359 1 . 1 1 64 64 CYS CB C 64 27.582 27.582 27.431 0.151 19945 360 1 . 1 1 64 64 CYS H H 64 9.091 9.091 8.852 0.239 19945 361 1 . 1 1 65 65 ASP N N 65 120.298 120.298 119.616 0.682 19945 362 1 . 1 1 65 65 ASP HA H 65 4.399 4.399 4.365 0.034 19945 363 1 . 1 1 65 65 ASP C C 65 179.000 179.000 177.787 1.213 19945 364 1 . 1 1 65 65 ASP CA C 65 58.132 58.132 57.332 0.800 19945 365 1 . 1 1 65 65 ASP CB C 65 41.223 41.223 40.254 0.969 19945 366 1 . 1 1 65 65 ASP H H 65 7.093 7.093 8.454 -1.361 19945 367 1 . 1 1 66 66 TRP N N 66 122.608 122.608 120.450 2.158 19945 368 1 . 1 1 66 66 TRP HA H 66 4.216 4.216 4.192 0.024 19945 369 1 . 1 1 66 66 TRP C C 66 176.930 176.930 177.696 -0.766 19945 370 1 . 1 1 66 66 TRP CA C 66 60.523 60.523 59.157 1.366 19945 371 1 . 1 1 66 66 TRP CB C 66 29.961 29.961 29.688 0.273 19945 372 1 . 1 1 66 66 TRP H H 66 7.394 7.394 7.777 -0.383 19945 373 1 . 1 1 67 67 ASP N N 67 118.860 118.860 118.910 -0.050 19945 374 1 . 1 1 67 67 ASP HA H 67 3.525 3.525 3.785 -0.260 19945 375 1 . 1 1 67 67 ASP C C 67 179.579 179.579 177.911 1.668 19945 376 1 . 1 1 67 67 ASP CA C 67 57.341 57.341 57.125 0.216 19945 377 1 . 1 1 67 67 ASP CB C 67 42.400 42.400 40.752 1.648 19945 378 1 . 1 1 67 67 ASP H H 67 8.087 8.087 8.072 0.015 19945 379 1 . 1 1 68 68 ASP N N 68 116.220 116.220 118.668 -2.448 19945 380 1 . 1 1 68 68 ASP HA H 68 4.356 4.356 4.435 -0.079 19945 381 1 . 1 1 68 68 ASP C C 68 176.873 176.873 177.108 -0.235 19945 382 1 . 1 1 68 68 ASP CA C 68 56.255 56.255 56.138 0.117 19945 383 1 . 1 1 68 68 ASP CB C 68 40.807 40.807 41.095 -0.288 19945 384 1 . 1 1 68 68 ASP H H 68 8.056 8.056 8.052 0.004 19945 385 1 . 1 1 69 69 PHE N N 69 120.493 120.493 117.972 2.521 19945 386 1 . 1 1 69 69 PHE HA H 69 4.363 4.363 4.355 0.008 19945 387 1 . 1 1 69 69 PHE C C 69 177.103 177.103 176.137 0.966 19945 388 1 . 1 1 69 69 PHE CA C 69 58.929 58.929 59.253 -0.324 19945 389 1 . 1 1 69 69 PHE CB C 69 41.530 41.530 39.952 1.578 19945 390 1 . 1 1 69 69 PHE H H 69 7.659 7.659 7.430 0.229 19945 391 1 . 1 1 70 70 PHE N N 70 122.293 122.293 119.873 2.420 19945 392 1 . 1 1 70 70 PHE HA H 70 5.018 5.018 4.295 0.723 19945 393 1 . 1 1 70 70 PHE C C 70 174.396 174.396 174.674 -0.278 19945 394 1 . 1 1 70 70 PHE CA C 70 59.123 59.123 61.850 -2.727 19945 395 1 . 1 1 70 70 PHE CB C 70 34.755 34.755 35.479 -0.724 19945 396 1 . 1 1 70 70 PHE H H 70 8.197 8.197 8.071 0.126 19945 397 1 . 1 1 71 71 PRO HA H 71 4.398 4.398 4.445 -0.047 19945 398 1 . 1 1 71 71 PRO C C 71 179.118 179.118 177.433 1.685 19945 399 1 . 1 1 71 71 PRO CA C 71 66.367 66.367 64.986 1.381 19945 400 1 . 1 1 71 71 PRO CB C 71 30.930 30.930 31.106 -0.176 19945 401 1 . 1 1 72 72 THR N N 72 114.461 114.461 113.607 0.854 19945 402 1 . 1 1 72 72 THR HA H 72 3.816 3.816 4.086 -0.270 19945 403 1 . 1 1 72 72 THR C C 72 176.498 176.498 176.443 0.055 19945 404 1 . 1 1 72 72 THR CA C 72 65.803 65.803 64.600 1.203 19945 405 1 . 1 1 72 72 THR CB C 72 67.203 67.203 68.651 -1.448 19945 406 1 . 1 1 72 72 THR H H 72 7.534 7.534 7.600 -0.066 19945 407 1 . 1 1 73 73 LEU N N 73 124.812 124.812 123.444 1.368 19945 408 1 . 1 1 73 73 LEU HA H 73 4.090 4.090 4.126 -0.036 19945 409 1 . 1 1 73 73 LEU C C 73 177.996 177.996 177.949 0.047 19945 410 1 . 1 1 73 73 LEU CA C 73 58.151 58.151 58.095 0.056 19945 411 1 . 1 1 73 73 LEU CB C 73 43.786 43.786 42.139 1.647 19945 412 1 . 1 1 73 73 LEU H H 73 8.123 8.123 8.127 -0.004 19945 413 1 . 1 1 74 74 GLU N N 74 111.877 111.877 116.057 -4.180 19945 414 1 . 1 1 74 74 GLU HA H 74 3.825 3.825 4.187 -0.362 19945 415 1 . 1 1 74 74 GLU C C 74 176.930 176.930 177.461 -0.531 19945 416 1 . 1 1 74 74 GLU CA C 74 57.675 57.675 58.295 -0.620 19945 417 1 . 1 1 74 74 GLU CB C 74 30.021 30.021 29.138 0.883 19945 418 1 . 1 1 74 74 GLU H H 74 7.933 7.933 8.096 -0.163 19945 419 1 . 1 1 75 75 GLU N N 75 116.571 116.571 117.936 -1.365 19945 420 1 . 1 1 75 75 GLU HA H 75 4.347 4.347 4.300 0.047 19945 421 1 . 1 1 75 75 GLU C C 75 177.045 177.045 176.576 0.469 19945 422 1 . 1 1 75 75 GLU CA C 75 56.026 56.026 56.214 -0.188 19945 423 1 . 1 1 75 75 GLU CB C 75 30.509 30.509 30.500 0.010 19945 424 1 . 1 1 75 75 GLU H H 75 7.659 7.659 7.863 -0.204 19945 425 1 . 1 1 76 76 ILE N N 76 123.080 123.080 120.772 2.308 19945 426 1 . 1 1 76 76 ILE HA H 76 3.777 3.777 3.834 -0.057 19945 427 1 . 1 1 76 76 ILE C C 76 174.656 174.656 174.932 -0.276 19945 428 1 . 1 1 76 76 ILE CA C 76 62.074 62.074 61.992 0.082 19945 429 1 . 1 1 76 76 ILE CB C 76 39.005 39.005 38.647 0.358 19945 430 1 . 1 1 76 76 ILE H H 76 7.468 7.468 7.351 0.117 19945 431 1 . 1 1 77 77 ASP N N 77 126.540 126.540 124.997 1.543 19945 432 1 . 1 1 77 77 ASP HA H 77 4.813 4.813 4.556 0.257 19945 433 1 . 1 1 77 77 ASP C C 77 176.614 176.614 175.004 1.610 19945 434 1 . 1 1 77 77 ASP CA C 77 53.141 53.141 53.635 -0.494 19945 435 1 . 1 1 77 77 ASP CB C 77 40.865 40.865 42.018 -1.153 19945 436 1 . 1 1 77 77 ASP H H 77 8.605 8.605 8.423 0.182 19945 437 1 . 1 1 78 78 PHE N N 78 124.583 124.583 122.518 2.065 19945 438 1 . 1 1 78 78 PHE HA H 78 4.160 4.160 4.663 -0.503 19945 439 1 . 1 1 78 78 PHE C C 78 175.347 175.347 175.388 -0.041 19945 440 1 . 1 1 78 78 PHE CA C 78 59.142 59.142 56.793 2.349 19945 441 1 . 1 1 78 78 PHE CB C 78 40.168 40.168 39.864 0.304 19945 442 1 . 1 1 78 78 PHE H H 78 8.053 8.053 8.051 0.002 19945 443 1 . 1 1 79 79 ASN N N 79 121.321 121.321 120.406 0.915 19945 444 1 . 1 1 79 79 ASN HA H 79 4.517 4.517 4.546 -0.029 19945 445 1 . 1 1 79 79 ASN C C 79 176.815 176.815 176.582 0.233 19945 446 1 . 1 1 79 79 ASN CA C 79 56.452 56.452 55.115 1.337 19945 447 1 . 1 1 79 79 ASN CB C 79 38.739 38.739 38.225 0.514 19945 448 1 . 1 1 79 79 ASN H H 79 8.695 8.695 8.463 0.232 19945 449 1 . 1 1 80 80 GLY N N 80 114.150 114.150 112.638 1.512 19945 450 1 . 1 1 80 80 GLY C C 80 174.195 174.195 174.620 -0.425 19945 451 1 . 1 1 80 80 GLY CA C 80 45.646 45.646 45.477 0.170 19945 452 1 . 1 1 80 80 GLY H H 80 8.646 8.646 8.570 0.076 19945 453 1 . 1 1 81 81 LYS N N 81 119.318 119.318 121.080 -1.762 19945 454 1 . 1 1 81 81 LYS HA H 81 5.037 5.037 4.432 0.605 19945 455 1 . 1 1 81 81 LYS C C 81 176.268 176.268 175.938 0.330 19945 456 1 . 1 1 81 81 LYS CA C 81 55.996 55.996 56.405 -0.409 19945 457 1 . 1 1 81 81 LYS CB C 81 33.955 33.955 33.845 0.110 19945 458 1 . 1 1 81 81 LYS H H 81 8.295 8.295 7.886 0.409 19945 459 1 . 1 1 82 82 LEU N N 82 127.000 127.000 123.268 3.732 19945 460 1 . 1 1 82 82 LEU HA H 82 5.230 5.230 5.038 0.192 19945 461 1 . 1 1 82 82 LEU C C 82 175.347 175.347 175.976 -0.629 19945 462 1 . 1 1 82 82 LEU CA C 82 53.804 53.804 54.331 -0.527 19945 463 1 . 1 1 82 82 LEU CB C 82 44.151 44.151 43.239 0.912 19945 464 1 . 1 1 82 82 LEU H H 82 8.407 8.407 8.708 -0.301 19945 465 1 . 1 1 83 83 VAL N N 83 121.665 121.665 121.821 -0.156 19945 466 1 . 1 1 83 83 VAL HA H 83 5.840 5.840 5.315 0.525 19945 467 1 . 1 1 83 83 VAL C C 83 173.417 173.417 174.134 -0.717 19945 468 1 . 1 1 83 83 VAL CA C 83 59.202 59.202 60.233 -1.031 19945 469 1 . 1 1 83 83 VAL CB C 83 36.348 36.348 35.813 0.535 19945 470 1 . 1 1 83 83 VAL H H 83 8.960 8.960 9.113 -0.153 19945 471 1 . 1 1 84 84 ALA N N 84 128.017 128.017 127.379 0.638 19945 472 1 . 1 1 84 84 ALA HA H 84 5.333 5.333 5.576 -0.243 19945 473 1 . 1 1 84 84 ALA C C 84 175.231 175.231 175.618 -0.387 19945 474 1 . 1 1 84 84 ALA CA C 84 50.428 50.428 49.967 0.461 19945 475 1 . 1 1 84 84 ALA CB C 84 24.128 24.128 23.180 0.948 19945 476 1 . 1 1 84 84 ALA H H 84 9.021 9.021 9.062 -0.041 19945 477 1 . 1 1 85 85 LEU N N 85 124.220 124.220 121.300 2.920 19945 478 1 . 1 1 85 85 LEU HA H 85 5.612 5.612 5.589 0.023 19945 479 1 . 1 1 85 85 LEU C C 85 174.454 174.454 175.912 -1.458 19945 480 1 . 1 1 85 85 LEU CA C 85 52.973 52.973 53.254 -0.281 19945 481 1 . 1 1 85 85 LEU CB C 85 45.912 45.912 45.136 0.776 19945 482 1 . 1 1 85 85 LEU H H 85 11.134 11.134 8.900 2.234 19945 483 1 . 1 1 86 86 PHE N N 86 114.461 114.461 117.655 -3.194 19945 484 1 . 1 1 86 86 PHE HA H 86 5.222 5.222 5.200 0.022 19945 485 1 . 1 1 86 86 PHE C C 86 173.619 173.619 173.768 -0.149 19945 486 1 . 1 1 86 86 PHE CA C 86 54.678 54.678 55.253 -0.575 19945 487 1 . 1 1 86 86 PHE CB C 86 42.980 42.980 42.050 0.930 19945 488 1 . 1 1 86 86 PHE H H 86 8.829 8.829 8.790 0.039 19945 489 1 . 1 1 87 87 GLY N N 87 104.437 104.437 106.314 -1.877 19945 490 1 . 1 1 87 87 GLY C C 87 170.423 170.423 171.779 -1.356 19945 491 1 . 1 1 87 87 GLY CA C 87 45.930 45.930 45.284 0.646 19945 492 1 . 1 1 87 87 GLY H H 87 8.496 8.496 8.642 -0.146 19945 493 1 . 1 1 88 88 CYS N N 88 114.166 114.166 118.474 -4.308 19945 494 1 . 1 1 88 88 CYS HA H 88 6.003 6.003 5.065 0.938 19945 495 1 . 1 1 88 88 CYS C C 88 174.425 174.425 173.874 0.551 19945 496 1 . 1 1 88 88 CYS CA C 88 56.538 56.538 57.528 -0.990 19945 497 1 . 1 1 88 88 CYS CB C 88 31.301 31.301 30.756 0.545 19945 498 1 . 1 1 88 88 CYS H H 88 5.354 5.354 8.172 -2.818 19945 499 1 . 1 1 89 89 GLY N N 89 109.463 109.463 109.292 0.171 19945 500 1 . 1 1 89 89 GLY C C 89 173.187 173.187 171.600 1.587 19945 501 1 . 1 1 89 89 GLY CA C 89 46.443 46.443 44.766 1.677 19945 502 1 . 1 1 89 89 GLY H H 89 8.404 8.404 8.160 0.244 19945 503 1 . 1 1 90 90 ASP N N 90 123.090 123.090 118.598 4.492 19945 504 1 . 1 1 90 90 ASP HA H 90 5.799 5.799 5.039 0.760 19945 505 1 . 1 1 90 90 ASP C C 90 176.095 176.095 175.326 0.769 19945 506 1 . 1 1 90 90 ASP CA C 90 52.553 52.553 53.137 -0.584 19945 507 1 . 1 1 90 90 ASP CB C 90 43.255 43.255 43.386 -0.131 19945 508 1 . 1 1 90 90 ASP H H 90 8.698 8.698 8.423 0.275 19945 509 1 . 1 1 91 91 GLN N N 91 123.780 123.780 122.748 1.032 19945 510 1 . 1 1 91 91 GLN HA H 91 3.696 3.696 4.245 -0.549 19945 511 1 . 1 1 91 91 GLN C C 91 173.639 173.639 175.579 -1.940 19945 512 1 . 1 1 91 91 GLN CA C 91 57.060 57.060 55.735 1.325 19945 513 1 . 1 1 91 91 GLN CB C 91 29.441 29.441 28.914 0.527 19945 514 1 . 1 1 91 91 GLN H H 91 9.675 9.675 8.552 1.123 19945 515 1 . 1 1 92 92 GLU N N 92 118.631 118.631 120.527 -1.896 19945 516 1 . 1 1 92 92 GLU HA H 92 4.591 4.591 4.117 0.474 19945 517 1 . 1 1 92 92 GLU C C 92 177.247 177.247 177.094 0.153 19945 518 1 . 1 1 92 92 GLU CA C 92 57.336 57.336 58.301 -0.965 19945 519 1 . 1 1 92 92 GLU CB C 92 30.770 30.770 30.180 0.590 19945 520 1 . 1 1 92 92 GLU H H 92 8.396 8.396 8.298 0.098 19945 521 1 . 1 1 93 93 ASP N N 93 120.889 120.889 118.090 2.799 19945 522 1 . 1 1 93 93 ASP HA H 93 4.282 4.282 4.566 -0.284 19945 523 1 . 1 1 93 93 ASP C C 93 175.986 175.986 177.215 -1.229 19945 524 1 . 1 1 93 93 ASP CA C 93 55.425 55.425 55.148 0.277 19945 525 1 . 1 1 93 93 ASP CB C 93 40.250 40.250 41.943 -1.693 19945 526 1 . 1 1 93 93 ASP H H 93 7.779 7.779 8.423 -0.644 19945 527 1 . 1 1 94 94 TYR N N 94 117.028 117.028 119.995 -2.967 19945 528 1 . 1 1 94 94 TYR HA H 94 4.685 4.685 4.826 -0.141 19945 529 1 . 1 1 94 94 TYR C C 94 175.519 175.519 176.426 -0.907 19945 530 1 . 1 1 94 94 TYR CA C 94 56.379 56.379 56.955 -0.576 19945 531 1 . 1 1 94 94 TYR CB C 94 36.842 36.842 37.032 -0.190 19945 532 1 . 1 1 94 94 TYR H H 94 6.693 6.693 8.273 -1.580 19945 533 1 . 1 1 95 95 ALA N N 95 121.950 121.950 123.339 -1.389 19945 534 1 . 1 1 95 95 ALA HA H 95 4.156 4.156 4.208 -0.052 19945 535 1 . 1 1 95 95 ALA C C 95 179.723 179.723 178.374 1.349 19945 536 1 . 1 1 95 95 ALA CA C 95 55.923 55.923 54.777 1.146 19945 537 1 . 1 1 95 95 ALA CB C 95 20.555 20.555 18.789 1.766 19945 538 1 . 1 1 95 95 ALA H H 95 6.962 6.962 8.065 -1.103 19945 539 1 . 1 1 96 96 GLU N N 96 115.884 115.884 116.343 -0.459 19945 540 1 . 1 1 96 96 GLU HA H 96 4.306 4.306 4.378 -0.072 19945 541 1 . 1 1 96 96 GLU C C 96 174.684 174.684 176.202 -1.518 19945 542 1 . 1 1 96 96 GLU CA C 96 56.985 56.985 56.990 -0.005 19945 543 1 . 1 1 96 96 GLU CB C 96 29.176 29.176 29.498 -0.323 19945 544 1 . 1 1 96 96 GLU H H 96 9.327 9.327 8.674 0.653 19945 545 1 . 1 1 97 97 TYR N N 97 121.836 121.836 116.188 5.648 19945 546 1 . 1 1 97 97 TYR HA H 97 5.409 5.409 4.821 0.588 19945 547 1 . 1 1 97 97 TYR C C 97 179.953 179.953 174.850 5.103 19945 548 1 . 1 1 97 97 TYR CA C 97 56.442 56.442 56.255 0.187 19945 549 1 . 1 1 97 97 TYR CB C 97 41.292 41.292 39.001 2.291 19945 550 1 . 1 1 97 97 TYR H H 97 8.175 8.175 8.051 0.124 19945 551 1 . 1 1 98 98 PHE N N 98 124.580 124.580 124.089 0.491 19945 552 1 . 1 1 98 98 PHE HA H 98 5.137 5.137 4.576 0.561 19945 553 1 . 1 1 98 98 PHE C C 98 174.742 174.742 175.839 -1.097 19945 554 1 . 1 1 98 98 PHE CA C 98 58.663 58.663 59.207 -0.544 19945 555 1 . 1 1 98 98 PHE CB C 98 38.655 38.655 39.363 -0.708 19945 556 1 . 1 1 98 98 PHE H H 98 7.889 7.889 7.947 -0.058 19945 557 1 . 1 1 99 99 CYS N N 99 120.329 120.329 123.420 -3.091 19945 558 1 . 1 1 99 99 CYS HA H 99 3.652 3.652 3.677 -0.025 19945 559 1 . 1 1 99 99 CYS C C 99 175.087 175.087 175.308 -0.221 19945 560 1 . 1 1 99 99 CYS CA C 99 62.876 62.876 59.995 2.881 19945 561 1 . 1 1 99 99 CYS CB C 99 24.000 24.000 25.166 -1.166 19945 562 1 . 1 1 99 99 CYS H H 99 8.617 8.617 8.666 -0.049 19945 563 1 . 1 1 100 100 ASP N N 100 116.705 116.705 121.661 -4.956 19945 564 1 . 1 1 100 100 ASP HA H 100 3.945 3.945 4.295 -0.350 19945 565 1 . 1 1 100 100 ASP C C 100 178.888 178.888 177.138 1.750 19945 566 1 . 1 1 100 100 ASP CA C 100 58.128 58.128 57.345 0.783 19945 567 1 . 1 1 100 100 ASP CB C 100 41.950 41.950 41.204 0.746 19945 568 1 . 1 1 100 100 ASP H H 100 7.104 7.104 7.980 -0.876 19945 569 1 . 1 1 101 101 ALA N N 101 118.631 118.631 121.275 -2.644 19945 570 1 . 1 1 101 101 ALA HA H 101 4.151 4.151 4.231 -0.080 19945 571 1 . 1 1 101 101 ALA C C 101 178.600 178.600 179.219 -0.619 19945 572 1 . 1 1 101 101 ALA CA C 101 54.397 54.397 54.217 0.180 19945 573 1 . 1 1 101 101 ALA CB C 101 18.810 18.810 18.635 0.175 19945 574 1 . 1 1 101 101 ALA H H 101 8.716 8.716 7.665 1.051 19945 575 1 . 1 1 102 102 LEU N N 102 115.083 115.083 119.057 -3.974 19945 576 1 . 1 1 102 102 LEU HA H 102 3.614 3.614 3.914 -0.300 19945 577 1 . 1 1 102 102 LEU C C 102 179.573 179.573 179.049 0.524 19945 578 1 . 1 1 102 102 LEU CA C 102 57.844 57.844 57.671 0.173 19945 579 1 . 1 1 102 102 LEU CB C 102 42.714 42.714 41.484 1.230 19945 580 1 . 1 1 102 102 LEU H H 102 7.171 7.171 7.667 -0.496 19945 581 1 . 1 1 103 103 GLY N N 103 104.501 104.501 105.317 -0.816 19945 582 1 . 1 1 103 103 GLY C C 103 175.145 175.145 175.475 -0.330 19945 583 1 . 1 1 103 103 GLY CA C 103 46.708 46.708 47.437 -0.729 19945 584 1 . 1 1 103 103 GLY H H 103 7.365 7.365 8.138 -0.773 19945 585 1 . 1 1 104 104 THR N N 104 118.860 118.860 118.587 0.273 19945 586 1 . 1 1 104 104 THR HA H 104 3.737 3.737 3.869 -0.132 19945 587 1 . 1 1 104 104 THR C C 104 176.354 176.354 176.245 0.109 19945 588 1 . 1 1 104 104 THR CA C 104 65.799 65.799 66.499 -0.700 19945 589 1 . 1 1 104 104 THR CB C 104 67.961 67.961 68.524 -0.563 19945 590 1 . 1 1 104 104 THR H H 104 7.343 7.343 7.407 -0.064 19945 591 1 . 1 1 105 105 ILE N N 105 118.663 118.663 121.098 -2.435 19945 592 1 . 1 1 105 105 ILE HA H 105 3.504 3.504 3.574 -0.070 19945 593 1 . 1 1 105 105 ILE C C 105 177.391 177.391 177.223 0.168 19945 594 1 . 1 1 105 105 ILE CA C 105 65.550 65.550 64.564 0.986 19945 595 1 . 1 1 105 105 ILE CB C 105 37.750 37.750 37.493 0.257 19945 596 1 . 1 1 105 105 ILE H H 105 7.589 7.589 7.400 0.189 19945 597 1 . 1 1 106 106 ARG N N 106 126.041 126.041 120.594 5.447 19945 598 1 . 1 1 106 106 ARG HA H 106 3.580 3.580 3.818 -0.238 19945 599 1 . 1 1 106 106 ARG C C 106 176.614 176.614 178.057 -1.443 19945 600 1 . 1 1 106 106 ARG CA C 106 60.267 60.267 59.936 0.331 19945 601 1 . 1 1 106 106 ARG CB C 106 27.316 27.316 29.895 -2.579 19945 602 1 . 1 1 106 106 ARG H H 106 7.307 7.307 8.066 -0.759 19945 603 1 . 1 1 107 107 ASP N N 107 117.480 117.480 117.748 -0.268 19945 604 1 . 1 1 107 107 ASP HA H 107 4.348 4.348 4.454 -0.106 19945 605 1 . 1 1 107 107 ASP C C 107 177.189 177.189 177.673 -0.484 19945 606 1 . 1 1 107 107 ASP CA C 107 56.500 56.500 56.772 -0.272 19945 607 1 . 1 1 107 107 ASP CB C 107 39.674 39.674 40.715 -1.041 19945 608 1 . 1 1 107 107 ASP H H 107 8.202 8.202 8.104 0.098 19945 609 1 . 1 1 108 108 ILE N N 108 117.715 117.715 118.136 -0.421 19945 610 1 . 1 1 108 108 ILE HA H 108 3.856 3.856 3.963 -0.107 19945 611 1 . 1 1 108 108 ILE C C 108 178.427 178.427 177.700 0.727 19945 612 1 . 1 1 108 108 ILE CA C 108 63.977 63.977 63.608 0.369 19945 613 1 . 1 1 108 108 ILE CB C 108 39.451 39.451 38.999 0.452 19945 614 1 . 1 1 108 108 ILE H H 108 7.107 7.107 7.403 -0.296 19945 615 1 . 1 1 109 109 ILE N N 109 111.534 111.534 117.664 -6.130 19945 616 1 . 1 1 109 109 ILE HA H 109 3.735 3.735 3.731 0.004 19945 617 1 . 1 1 109 109 ILE C C 109 177.305 177.305 177.277 0.028 19945 618 1 . 1 1 109 109 ILE CA C 109 64.605 64.605 64.446 0.159 19945 619 1 . 1 1 109 109 ILE CB C 109 37.411 37.411 37.633 -0.222 19945 620 1 . 1 1 109 109 ILE H H 109 7.501 7.501 8.263 -0.762 19945 621 1 . 1 1 110 110 GLU N N 110 127.123 127.123 122.785 4.338 19945 622 1 . 1 1 110 110 GLU HA H 110 4.298 4.298 4.268 0.030 19945 623 1 . 1 1 110 110 GLU C C 110 177.391 177.391 176.966 0.425 19945 624 1 . 1 1 110 110 GLU CA C 110 62.331 62.331 60.422 1.909 19945 625 1 . 1 1 110 110 GLU CB C 110 27.848 27.848 28.368 -0.520 19945 626 1 . 1 1 110 110 GLU H H 110 8.867 8.867 8.406 0.461 19945 627 1 . 1 1 111 111 PRO HA H 111 4.616 4.616 4.341 0.275 19945 628 1 . 1 1 111 111 PRO C C 111 177.417 177.417 177.892 -0.475 19945 629 1 . 1 1 111 111 PRO CA C 111 65.235 65.235 64.765 0.470 19945 630 1 . 1 1 111 111 PRO CB C 111 31.035 31.035 31.319 -0.284 19945 631 1 . 1 1 112 112 ARG N N 112 114.612 114.612 116.502 -1.890 19945 632 1 . 1 1 112 112 ARG HA H 112 4.568 4.568 4.458 0.110 19945 633 1 . 1 1 112 112 ARG C C 112 175.792 175.792 176.638 -0.846 19945 634 1 . 1 1 112 112 ARG CA C 112 55.741 55.741 55.223 0.518 19945 635 1 . 1 1 112 112 ARG CB C 112 30.504 30.504 29.830 0.674 19945 636 1 . 1 1 112 112 ARG H H 112 6.542 6.542 7.663 -1.121 19945 637 1 . 1 1 113 113 GLY N N 113 106.474 106.474 106.221 0.253 19945 638 1 . 1 1 113 113 GLY C C 113 174.347 174.347 173.987 0.360 19945 639 1 . 1 1 113 113 GLY CA C 113 45.640 45.640 45.166 0.474 19945 640 1 . 1 1 113 113 GLY H H 113 7.845 7.845 8.067 -0.222 19945 641 1 . 1 1 114 114 ALA N N 114 122.280 122.280 123.941 -1.661 19945 642 1 . 1 1 114 114 ALA HA H 114 4.279 4.279 4.837 -0.558 19945 643 1 . 1 1 114 114 ALA C C 114 176.785 176.785 177.335 -0.550 19945 644 1 . 1 1 114 114 ALA CA C 114 53.391 53.391 52.402 0.989 19945 645 1 . 1 1 114 114 ALA CB C 114 19.612 19.612 19.574 0.038 19945 646 1 . 1 1 114 114 ALA H H 114 7.535 7.535 7.904 -0.369 19945 647 1 . 1 1 115 115 THR N N 115 120.909 120.909 119.906 1.003 19945 648 1 . 1 1 115 115 THR HA H 115 4.478 4.478 4.599 -0.121 19945 649 1 . 1 1 115 115 THR C C 115 172.963 172.963 173.492 -0.529 19945 650 1 . 1 1 115 115 THR CA C 115 62.825 62.825 62.684 0.141 19945 651 1 . 1 1 115 115 THR CB C 115 69.501 69.501 69.442 0.059 19945 652 1 . 1 1 115 115 THR H H 115 7.902 7.902 8.801 -0.899 19945 653 1 . 1 1 116 116 ILE N N 116 129.162 129.162 128.527 0.635 19945 654 1 . 1 1 116 116 ILE HA H 116 5.297 5.297 5.093 0.204 19945 655 1 . 1 1 116 116 ILE C C 116 177.056 177.056 175.945 1.111 19945 656 1 . 1 1 116 116 ILE CA C 116 60.523 60.523 60.088 0.435 19945 657 1 . 1 1 116 116 ILE CB C 116 38.300 38.300 39.094 -0.794 19945 658 1 . 1 1 116 116 ILE H H 116 8.784 8.784 8.702 0.082 19945 659 1 . 1 1 117 117 VAL N N 117 122.981 122.981 121.302 1.679 19945 660 1 . 1 1 117 117 VAL HA H 117 4.594 4.594 4.715 -0.121 19945 661 1 . 1 1 117 117 VAL C C 117 175.190 175.190 175.827 -0.637 19945 662 1 . 1 1 117 117 VAL CA C 117 58.929 58.929 59.488 -0.559 19945 663 1 . 1 1 117 117 VAL CB C 117 32.364 32.364 34.663 -2.300 19945 664 1 . 1 1 117 117 VAL H H 117 8.812 8.812 8.813 -0.001 19945 665 1 . 1 1 118 118 GLY N N 118 108.558 108.558 107.233 1.325 19945 666 1 . 1 1 118 118 GLY C C 118 175.792 175.792 174.617 1.175 19945 667 1 . 1 1 118 118 GLY CA C 118 47.746 47.746 45.672 2.074 19945 668 1 . 1 1 118 118 GLY H H 118 9.297 9.297 8.874 0.423 19945 669 1 . 1 1 119 119 HIS N N 119 118.402 118.402 118.375 0.027 19945 670 1 . 1 1 119 119 HIS HA H 119 4.772 4.772 4.871 -0.099 19945 671 1 . 1 1 119 119 HIS C C 119 175.866 175.866 174.942 0.924 19945 672 1 . 1 1 119 119 HIS CA C 119 55.602 55.602 56.578 -0.976 19945 673 1 . 1 1 119 119 HIS CB C 119 28.856 28.856 29.999 -1.143 19945 674 1 . 1 1 119 119 HIS H H 119 8.901 8.901 8.129 0.772 19945 675 1 . 1 1 120 120 TRP N N 120 124.300 124.300 125.559 -1.259 19945 676 1 . 1 1 120 120 TRP HA H 120 6.293 6.293 5.265 1.028 19945 677 1 . 1 1 120 120 TRP C C 120 173.113 173.113 173.729 -0.616 19945 678 1 . 1 1 120 120 TRP CA C 120 53.504 53.504 53.999 -0.495 19945 679 1 . 1 1 120 120 TRP CB C 120 35.286 35.286 32.760 2.526 19945 680 1 . 1 1 120 120 TRP H H 120 8.455 8.455 9.005 -0.550 19945 681 1 . 1 1 121 121 PRO HA H 121 4.597 4.597 4.202 0.395 19945 682 1 . 1 1 121 121 PRO C C 121 176.243 176.243 176.724 -0.481 19945 683 1 . 1 1 121 121 PRO CA C 121 63.450 63.450 62.612 0.838 19945 684 1 . 1 1 121 121 PRO CB C 121 32.097 32.097 32.308 -0.211 19945 685 1 . 1 1 122 122 THR N N 122 110.568 110.568 112.808 -2.240 19945 686 1 . 1 1 122 122 THR HA H 122 4.232 4.232 4.116 0.116 19945 687 1 . 1 1 122 122 THR C C 122 176.424 176.424 175.625 0.799 19945 688 1 . 1 1 122 122 THR CA C 122 62.079 62.079 62.989 -0.910 19945 689 1 . 1 1 122 122 THR CB C 122 68.758 68.758 68.974 -0.216 19945 690 1 . 1 1 122 122 THR H H 122 7.560 7.560 8.241 -0.681 19945 691 1 . 1 1 123 123 ALA N N 123 126.038 126.038 123.368 2.670 19945 692 1 . 1 1 123 123 ALA HA H 123 4.269 4.269 3.930 0.339 19945 693 1 . 1 1 123 123 ALA C C 123 178.862 178.862 177.625 1.237 19945 694 1 . 1 1 123 123 ALA CA C 123 53.882 53.882 52.640 1.242 19945 695 1 . 1 1 123 123 ALA CB C 123 18.284 18.284 17.115 1.169 19945 696 1 . 1 1 123 123 ALA H H 123 7.144 7.144 8.106 -0.962 19945 697 1 . 1 1 124 124 GLY N N 124 111.468 111.468 105.688 5.780 19945 698 1 . 1 1 124 124 GLY C C 124 173.775 173.775 174.529 -0.754 19945 699 1 . 1 1 124 124 GLY CA C 124 45.381 45.381 44.901 0.480 19945 700 1 . 1 1 124 124 GLY H H 124 9.058 9.058 8.166 0.892 19945 701 1 . 1 1 125 125 TYR N N 125 119.088 119.088 119.866 -0.778 19945 702 1 . 1 1 125 125 TYR HA H 125 4.942 4.942 4.105 0.837 19945 703 1 . 1 1 125 125 TYR C C 125 175.581 175.581 175.643 -0.062 19945 704 1 . 1 1 125 125 TYR CA C 125 56.762 56.762 58.935 -2.173 19945 705 1 . 1 1 125 125 TYR CB C 125 40.550 40.550 38.744 1.806 19945 706 1 . 1 1 125 125 TYR H H 125 8.008 8.008 7.982 0.026 19945 707 1 . 1 1 126 126 HIS N N 126 121.799 121.799 120.810 0.989 19945 708 1 . 1 1 126 126 HIS HA H 126 5.013 5.013 4.168 0.845 19945 709 1 . 1 1 126 126 HIS C C 126 171.969 171.969 173.334 -1.365 19945 710 1 . 1 1 126 126 HIS CA C 126 54.147 54.147 55.588 -1.441 19945 711 1 . 1 1 126 126 HIS CB C 126 28.387 28.387 29.381 -0.994 19945 712 1 . 1 1 126 126 HIS H H 126 9.512 9.512 7.870 1.642 19945 713 1 . 1 1 127 127 PHE N N 127 117.258 117.258 117.424 -0.166 19945 714 1 . 1 1 127 127 PHE HA H 127 4.923 4.923 4.419 0.504 19945 715 1 . 1 1 127 127 PHE C C 127 172.722 172.722 176.387 -3.665 19945 716 1 . 1 1 127 127 PHE CA C 127 55.300 55.300 56.398 -1.098 19945 717 1 . 1 1 127 127 PHE CB C 127 39.754 39.754 40.421 -0.667 19945 718 1 . 1 1 127 127 PHE H H 127 7.397 7.397 6.985 0.412 19945 719 1 . 1 1 128 128 GLU N N 128 120.484 120.484 119.931 0.553 19945 720 1 . 1 1 128 128 GLU HA H 128 4.363 4.363 4.179 0.184 19945 721 1 . 1 1 128 128 GLU C C 128 176.033 176.033 176.304 -0.271 19945 722 1 . 1 1 128 128 GLU CA C 128 57.068 57.068 58.182 -1.114 19945 723 1 . 1 1 128 128 GLU CB C 128 31.832 31.832 30.423 1.409 19945 724 1 . 1 1 128 128 GLU H H 128 8.492 8.492 8.757 -0.265 19945 725 1 . 1 1 129 129 ALA N N 129 123.500 123.500 120.543 2.957 19945 726 1 . 1 1 129 129 ALA HA H 129 4.698 4.698 4.754 -0.056 19945 727 1 . 1 1 129 129 ALA C C 129 174.016 174.016 175.357 -1.341 19945 728 1 . 1 1 129 129 ALA CA C 129 52.454 52.454 51.956 0.498 19945 729 1 . 1 1 129 129 ALA CB C 129 22.003 22.003 21.489 0.514 19945 730 1 . 1 1 129 129 ALA H H 129 9.155 9.155 8.197 0.958 19945 731 1 . 1 1 130 130 SER N N 130 110.807 110.807 117.065 -6.258 19945 732 1 . 1 1 130 130 SER HA H 130 4.942 4.942 4.958 -0.016 19945 733 1 . 1 1 130 130 SER C C 130 176.665 176.665 174.775 1.890 19945 734 1 . 1 1 130 130 SER CA C 130 57.471 57.471 57.927 -0.456 19945 735 1 . 1 1 130 130 SER CB C 130 67.205 67.205 64.850 2.355 19945 736 1 . 1 1 130 130 SER H H 130 8.101 8.101 8.447 -0.346 19945 737 1 . 1 1 131 131 LYS N N 131 129.963 129.963 124.848 5.115 19945 738 1 . 1 1 131 131 LYS HA H 131 4.449 4.449 4.510 -0.061 19945 739 1 . 1 1 131 131 LYS C C 131 176.533 176.533 177.572 -1.039 19945 740 1 . 1 1 131 131 LYS CA C 131 56.900 56.900 56.388 0.512 19945 741 1 . 1 1 131 131 LYS CB C 131 32.629 32.629 32.975 -0.346 19945 742 1 . 1 1 131 131 LYS H H 131 9.690 9.690 8.700 0.990 19945 743 1 . 1 1 132 132 GLY N N 132 107.870 107.870 107.672 0.198 19945 744 1 . 1 1 132 132 GLY C C 132 173.354 173.354 173.668 -0.314 19945 745 1 . 1 1 132 132 GLY CA C 132 45.646 45.646 45.086 0.560 19945 746 1 . 1 1 132 132 GLY H H 132 9.187 9.187 7.885 1.302 19945 747 1 . 1 1 133 133 LEU N N 133 119.088 119.088 120.349 -1.261 19945 748 1 . 1 1 133 133 LEU HA H 133 4.643 4.643 4.130 0.513 19945 749 1 . 1 1 133 133 LEU C C 133 177.748 177.748 176.594 1.154 19945 750 1 . 1 1 133 133 LEU CA C 133 55.476 55.476 55.697 -0.221 19945 751 1 . 1 1 133 133 LEU CB C 133 40.504 40.504 41.886 -1.382 19945 752 1 . 1 1 133 133 LEU H H 133 7.098 7.098 7.496 -0.398 19945 753 1 . 1 1 134 134 ALA N N 134 125.720 125.720 126.934 -1.214 19945 754 1 . 1 1 134 134 ALA HA H 134 4.237 4.237 4.426 -0.189 19945 755 1 . 1 1 134 134 ALA C C 134 176.695 176.695 177.039 -0.344 19945 756 1 . 1 1 134 134 ALA CA C 134 52.288 52.288 52.653 -0.365 19945 757 1 . 1 1 134 134 ALA CB C 134 19.612 19.612 20.711 -1.099 19945 758 1 . 1 1 134 134 ALA H H 134 9.154 9.154 8.935 0.219 19945 759 1 . 1 1 135 135 ASP N N 135 114.952 114.952 116.585 -1.633 19945 760 1 . 1 1 135 135 ASP HA H 135 4.529 4.529 4.782 -0.253 19945 761 1 . 1 1 135 135 ASP C C 135 175.130 175.130 175.483 -0.353 19945 762 1 . 1 1 135 135 ASP CA C 135 52.960 52.960 53.174 -0.214 19945 763 1 . 1 1 135 135 ASP CB C 135 40.528 40.528 43.605 -3.077 19945 764 1 . 1 1 135 135 ASP H H 135 8.299 8.299 7.767 0.532 19945 765 1 . 1 1 136 136 ASP N N 136 114.870 114.870 121.158 -6.288 19945 766 1 . 1 1 136 136 ASP HA H 136 4.335 4.335 4.298 0.037 19945 767 1 . 1 1 136 136 ASP C C 136 176.303 176.303 176.643 -0.340 19945 768 1 . 1 1 136 136 ASP CA C 136 57.844 57.844 56.835 1.009 19945 769 1 . 1 1 136 136 ASP CB C 136 40.864 40.864 40.997 -0.133 19945 770 1 . 1 1 136 136 ASP H H 136 8.433 8.433 8.690 -0.257 19945 771 1 . 1 1 137 137 ASP N N 137 113.709 113.709 116.454 -2.745 19945 772 1 . 1 1 137 137 ASP HA H 137 4.831 4.831 4.644 0.187 19945 773 1 . 1 1 137 137 ASP C C 137 176.514 176.514 175.080 1.434 19945 774 1 . 1 1 137 137 ASP CA C 137 53.317 53.317 53.947 -0.630 19945 775 1 . 1 1 137 137 ASP CB C 137 42.458 42.458 41.988 0.470 19945 776 1 . 1 1 137 137 ASP H H 137 8.232 8.232 8.248 -0.016 19945 777 1 . 1 1 138 138 HIS N N 138 117.829 117.829 117.120 0.709 19945 778 1 . 1 1 138 138 HIS HA H 138 5.282 5.282 5.046 0.236 19945 779 1 . 1 1 138 138 HIS C C 138 175.130 175.130 173.776 1.354 19945 780 1 . 1 1 138 138 HIS CA C 138 56.599 56.599 55.315 1.284 19945 781 1 . 1 1 138 138 HIS CB C 138 32.000 32.000 32.656 -0.656 19945 782 1 . 1 1 138 138 HIS H H 138 7.764 7.764 7.667 0.097 19945 783 1 . 1 1 139 139 PHE N N 139 123.553 123.553 121.952 1.601 19945 784 1 . 1 1 139 139 PHE HA H 139 5.019 5.019 4.791 0.228 19945 785 1 . 1 1 139 139 PHE C C 139 177.477 177.477 177.265 0.212 19945 786 1 . 1 1 139 139 PHE CA C 139 58.559 58.559 58.792 -0.233 19945 787 1 . 1 1 139 139 PHE CB C 139 42.872 42.872 39.794 3.078 19945 788 1 . 1 1 139 139 PHE H H 139 9.955 9.955 9.586 0.368 19945 789 1 . 1 1 140 140 VAL N N 140 119.420 119.420 120.083 -0.663 19945 790 1 . 1 1 140 140 VAL HA H 140 3.678 3.678 4.178 -0.500 19945 791 1 . 1 1 140 140 VAL C C 140 173.023 173.023 175.413 -2.390 19945 792 1 . 1 1 140 140 VAL CA C 140 62.117 62.117 63.970 -1.853 19945 793 1 . 1 1 140 140 VAL CB C 140 32.536 32.536 32.376 0.161 19945 794 1 . 1 1 140 140 VAL H H 140 9.178 9.178 8.840 0.338 19945 795 1 . 1 1 141 141 GLY N N 141 105.680 105.680 103.901 1.779 19945 796 1 . 1 1 141 141 GLY C C 141 171.284 171.284 172.653 -1.369 19945 797 1 . 1 1 141 141 GLY CA C 141 44.721 44.721 44.018 0.703 19945 798 1 . 1 1 141 141 GLY H H 141 6.837 6.837 7.493 -0.656 19945 799 1 . 1 1 142 142 LEU N N 142 118.516 118.516 121.494 -2.978 19945 800 1 . 1 1 142 142 LEU HA H 142 3.047 3.047 3.791 -0.744 19945 801 1 . 1 1 142 142 LEU C C 142 173.725 173.725 174.709 -0.984 19945 802 1 . 1 1 142 142 LEU CA C 142 55.704 55.704 54.343 1.361 19945 803 1 . 1 1 142 142 LEU CB C 142 38.739 38.739 40.809 -2.070 19945 804 1 . 1 1 142 142 LEU H H 142 7.423 7.423 7.808 -0.385 19945 805 1 . 1 1 143 143 ALA N N 143 128.382 128.382 129.764 -1.382 19945 806 1 . 1 1 143 143 ALA HA H 143 4.474 4.474 4.537 -0.063 19945 807 1 . 1 1 143 143 ALA C C 143 175.685 175.685 176.764 -1.079 19945 808 1 . 1 1 143 143 ALA CA C 143 49.631 49.631 50.352 -0.721 19945 809 1 . 1 1 143 143 ALA CB C 143 19.847 19.847 19.531 0.317 19945 810 1 . 1 1 143 143 ALA H H 143 5.414 5.414 7.804 -2.390 19945 811 1 . 1 1 144 144 ILE N N 144 126.754 126.754 121.134 5.620 19945 812 1 . 1 1 144 144 ILE HA H 144 4.315 4.315 4.170 0.145 19945 813 1 . 1 1 144 144 ILE C C 144 173.725 173.725 174.544 -0.819 19945 814 1 . 1 1 144 144 ILE CA C 144 56.721 56.721 61.351 -4.630 19945 815 1 . 1 1 144 144 ILE CB C 144 37.630 37.630 39.194 -1.564 19945 816 1 . 1 1 144 144 ILE H H 144 8.849 8.849 8.187 0.662 19945 817 1 . 1 1 145 145 ASP N N 145 125.518 125.518 122.384 3.134 19945 818 1 . 1 1 145 145 ASP HA H 145 5.796 5.796 4.707 1.089 19945 819 1 . 1 1 145 145 ASP C C 145 176.830 176.830 174.848 1.982 19945 820 1 . 1 1 145 145 ASP CA C 145 52.553 52.553 54.102 -1.549 19945 821 1 . 1 1 145 145 ASP CB C 145 43.502 43.502 43.315 0.187 19945 822 1 . 1 1 145 145 ASP H H 145 8.088 8.088 8.322 -0.235 19945 823 1 . 1 1 146 146 GLU N N 146 125.475 125.475 121.000 4.475 19945 824 1 . 1 1 146 146 GLU HA H 146 4.663 4.663 4.531 0.132 19945 825 1 . 1 1 146 146 GLU C C 146 177.132 177.132 175.242 1.890 19945 826 1 . 1 1 146 146 GLU CA C 146 56.273 56.273 56.688 -0.415 19945 827 1 . 1 1 146 146 GLU CB C 146 32.250 32.250 31.473 0.777 19945 828 1 . 1 1 146 146 GLU H H 146 8.390 8.390 8.588 -0.198 19945 829 1 . 1 1 147 147 ASP N N 147 120.137 120.137 119.541 0.596 19945 830 1 . 1 1 147 147 ASP HA H 147 4.567 4.567 4.624 -0.057 19945 831 1 . 1 1 147 147 ASP C C 147 178.126 178.126 175.222 2.904 19945 832 1 . 1 1 147 147 ASP CA C 147 58.001 58.001 54.811 3.190 19945 833 1 . 1 1 147 147 ASP CB C 147 43.250 43.250 42.337 0.913 19945 834 1 . 1 1 147 147 ASP H H 147 8.599 8.599 8.313 0.286 19945 835 1 . 1 1 148 148 ARG N N 148 115.655 115.655 120.518 -4.863 19945 836 1 . 1 1 148 148 ARG HA H 148 4.698 4.698 4.208 0.489 19945 837 1 . 1 1 148 148 ARG C C 148 177.704 177.704 174.929 2.775 19945 838 1 . 1 1 148 148 ARG CA C 148 52.960 52.960 56.780 -3.820 19945 839 1 . 1 1 148 148 ARG CB C 148 30.814 30.814 30.275 0.539 19945 840 1 . 1 1 148 148 ARG H H 148 9.762 9.762 8.426 1.336 19945 841 1 . 1 1 149 149 GLN N N 149 116.313 116.313 117.142 -0.829 19945 842 1 . 1 1 149 149 GLN HA H 149 5.299 5.299 4.368 0.931 19945 843 1 . 1 1 149 149 GLN C C 149 175.142 175.142 173.631 1.511 19945 844 1 . 1 1 149 149 GLN CA C 149 53.401 53.401 54.579 -1.178 19945 845 1 . 1 1 149 149 GLN CB C 149 30.841 30.841 29.514 1.327 19945 846 1 . 1 1 149 149 GLN H H 149 7.622 7.622 8.138 -0.516 19945 847 1 . 1 1 150 150 PRO HA H 150 4.681 4.681 4.497 0.184 19945 848 1 . 1 1 150 150 PRO C C 150 179.483 179.483 176.079 3.404 19945 849 1 . 1 1 150 150 PRO CA C 150 65.326 65.326 63.062 2.264 19945 850 1 . 1 1 150 150 PRO CB C 150 30.652 30.652 32.063 -1.411 19945 851 1 . 1 1 151 151 GLU N N 151 122.981 122.981 120.480 2.501 19945 852 1 . 1 1 151 151 GLU HA H 151 4.401 4.401 4.398 0.003 19945 853 1 . 1 1 151 151 GLU C C 151 177.041 177.041 176.562 0.479 19945 854 1 . 1 1 151 151 GLU CA C 151 58.398 58.398 56.378 2.020 19945 855 1 . 1 1 151 151 GLU CB C 151 27.582 27.582 31.090 -3.508 19945 856 1 . 1 1 151 151 GLU H H 151 10.520 10.520 8.654 1.866 19945 857 1 . 1 1 152 152 LEU N N 152 120.119 120.119 119.637 0.482 19945 858 1 . 1 1 152 152 LEU HA H 152 4.691 4.691 4.482 0.209 19945 859 1 . 1 1 152 152 LEU C C 152 177.222 177.222 177.211 0.011 19945 860 1 . 1 1 152 152 LEU CA C 152 54.309 54.309 54.588 -0.279 19945 861 1 . 1 1 152 152 LEU CB C 152 41.935 41.935 41.104 0.831 19945 862 1 . 1 1 152 152 LEU H H 152 7.589 7.589 8.481 -0.892 19945 863 1 . 1 1 153 153 THR N N 153 119.637 119.637 116.595 3.042 19945 864 1 . 1 1 153 153 THR HA H 153 3.592 3.592 3.901 -0.309 19945 865 1 . 1 1 153 153 THR C C 153 174.178 174.178 176.073 -1.895 19945 866 1 . 1 1 153 153 THR CA C 153 67.960 67.960 66.926 1.034 19945 867 1 . 1 1 153 153 THR CB C 153 69.023 69.023 68.571 0.452 19945 868 1 . 1 1 153 153 THR H H 153 7.469 7.469 8.117 -0.648 19945 869 1 . 1 1 154 154 ALA N N 154 123.665 123.665 122.285 1.380 19945 870 1 . 1 1 154 154 ALA HA H 154 3.888 3.888 4.153 -0.265 19945 871 1 . 1 1 154 154 ALA C C 154 180.417 180.417 179.495 0.922 19945 872 1 . 1 1 154 154 ALA CA C 154 56.538 56.538 54.796 1.742 19945 873 1 . 1 1 154 154 ALA CB C 154 17.222 17.222 18.341 -1.119 19945 874 1 . 1 1 154 154 ALA H H 154 9.077 9.077 8.472 0.605 19945 875 1 . 1 1 155 155 GLU N N 155 119.661 119.661 118.974 0.687 19945 876 1 . 1 1 155 155 GLU HA H 155 4.252 4.252 4.065 0.188 19945 877 1 . 1 1 155 155 GLU C C 155 178.518 178.518 179.216 -0.698 19945 878 1 . 1 1 155 155 GLU CA C 155 58.818 58.818 59.392 -0.574 19945 879 1 . 1 1 155 155 GLU CB C 155 29.707 29.707 29.159 0.548 19945 880 1 . 1 1 155 155 GLU H H 155 8.647 8.647 8.283 0.364 19945 881 1 . 1 1 156 156 ARG N N 156 120.739 120.739 119.815 0.924 19945 882 1 . 1 1 156 156 ARG HA H 156 4.218 4.218 4.172 0.046 19945 883 1 . 1 1 156 156 ARG C C 156 177.252 177.252 178.898 -1.646 19945 884 1 . 1 1 156 156 ARG CA C 156 60.469 60.469 59.398 1.071 19945 885 1 . 1 1 156 156 ARG CB C 156 31.023 31.023 30.221 0.802 19945 886 1 . 1 1 156 156 ARG H H 156 8.129 8.129 8.193 -0.064 19945 887 1 . 1 1 157 157 VAL N N 157 117.372 117.372 118.252 -0.880 19945 888 1 . 1 1 157 157 VAL HA H 157 3.319 3.319 3.679 -0.360 19945 889 1 . 1 1 157 157 VAL C C 157 177.192 177.192 177.766 -0.574 19945 890 1 . 1 1 157 157 VAL CA C 157 67.400 67.400 66.299 1.101 19945 891 1 . 1 1 157 157 VAL CB C 157 31.832 31.832 31.124 0.708 19945 892 1 . 1 1 157 157 VAL H H 157 8.578 8.578 8.131 0.447 19945 893 1 . 1 1 158 158 GLU N N 158 118.631 118.631 121.585 -2.954 19945 894 1 . 1 1 158 158 GLU HA H 158 4.197 4.197 4.142 0.055 19945 895 1 . 1 1 158 158 GLU C C 158 179.995 179.995 179.221 0.774 19945 896 1 . 1 1 158 158 GLU CA C 158 59.738 59.738 59.997 -0.260 19945 897 1 . 1 1 158 158 GLU CB C 158 29.177 29.177 29.410 -0.233 19945 898 1 . 1 1 158 158 GLU H H 158 8.046 8.046 8.223 -0.177 19945 899 1 . 1 1 159 159 LYS N N 159 118.860 118.860 119.585 -0.725 19945 900 1 . 1 1 159 159 LYS HA H 159 4.186 4.186 4.123 0.063 19945 901 1 . 1 1 159 159 LYS C C 159 179.844 179.844 179.194 0.650 19945 902 1 . 1 1 159 159 LYS CA C 159 59.995 59.995 59.534 0.461 19945 903 1 . 1 1 159 159 LYS CB C 159 33.692 33.692 32.547 1.145 19945 904 1 . 1 1 159 159 LYS H H 159 8.522 8.522 8.263 0.259 19945 905 1 . 1 1 160 160 TRP N N 160 125.100 125.100 121.741 3.359 19945 906 1 . 1 1 160 160 TRP HA H 160 4.370 4.370 4.586 -0.216 19945 907 1 . 1 1 160 160 TRP C C 160 178.006 178.006 177.927 0.079 19945 908 1 . 1 1 160 160 TRP CA C 160 62.814 62.814 61.529 1.285 19945 909 1 . 1 1 160 160 TRP CB C 160 28.792 28.792 29.448 -0.657 19945 910 1 . 1 1 160 160 TRP H H 160 9.076 9.076 8.364 0.712 19945 911 1 . 1 1 161 161 VAL N N 161 118.402 118.402 119.363 -0.961 19945 912 1 . 1 1 161 161 VAL HA H 161 3.370 3.370 3.150 0.220 19945 913 1 . 1 1 161 161 VAL C C 161 179.392 179.392 178.240 1.152 19945 914 1 . 1 1 161 161 VAL CA C 161 67.004 67.004 66.785 0.219 19945 915 1 . 1 1 161 161 VAL CB C 161 30.350 30.350 31.307 -0.957 19945 916 1 . 1 1 161 161 VAL H H 161 9.024 9.024 8.580 0.444 19945 917 1 . 1 1 162 162 LYS N N 162 123.209 123.209 119.492 3.717 19945 918 1 . 1 1 162 162 LYS HA H 162 4.002 4.002 3.907 0.095 19945 919 1 . 1 1 162 162 LYS C C 162 178.759 178.759 179.012 -0.253 19945 920 1 . 1 1 162 162 LYS CA C 162 60.372 60.372 59.923 0.449 19945 921 1 . 1 1 162 162 LYS CB C 162 32.364 32.364 32.122 0.242 19945 922 1 . 1 1 162 162 LYS H H 162 7.820 7.820 8.167 -0.347 19945 923 1 . 1 1 163 163 GLN N N 163 121.722 121.722 118.124 3.598 19945 924 1 . 1 1 163 163 GLN HA H 163 4.190 4.190 4.058 0.132 19945 925 1 . 1 1 163 163 GLN C C 163 179.935 179.935 178.600 1.335 19945 926 1 . 1 1 163 163 GLN CA C 163 59.726 59.726 58.525 1.201 19945 927 1 . 1 1 163 163 GLN CB C 163 29.022 29.022 28.776 0.246 19945 928 1 . 1 1 163 163 GLN H H 163 8.126 8.126 7.699 0.427 19945 929 1 . 1 1 164 164 ILE N N 164 114.390 114.390 116.929 -2.539 19945 930 1 . 1 1 164 164 ILE HA H 164 3.990 3.990 3.664 0.326 19945 931 1 . 1 1 164 164 ILE C C 164 178.156 178.156 177.658 0.498 19945 932 1 . 1 1 164 164 ILE CA C 164 65.176 65.176 64.239 0.937 19945 933 1 . 1 1 164 164 ILE CB C 164 37.678 37.678 37.098 0.580 19945 934 1 . 1 1 164 164 ILE H H 164 9.110 9.110 7.950 1.160 19945 935 1 . 1 1 165 165 SER N N 165 119.660 119.660 116.907 2.753 19945 936 1 . 1 1 165 165 SER HA H 165 3.976 3.976 4.000 -0.024 19945 937 1 . 1 1 165 165 SER C C 165 176.438 176.438 176.424 0.014 19945 938 1 . 1 1 165 165 SER CA C 165 63.180 63.180 62.826 0.354 19945 939 1 . 1 1 165 165 SER CB C 165 62.383 62.383 62.645 -0.262 19945 940 1 . 1 1 165 165 SER H H 165 8.278 8.278 8.400 -0.122 19945 941 1 . 1 1 166 166 GLU N N 166 122.290 122.290 120.011 2.279 19945 942 1 . 1 1 166 166 GLU HA H 166 4.210 4.210 4.137 0.073 19945 943 1 . 1 1 166 166 GLU C C 166 179.965 179.965 178.166 1.799 19945 944 1 . 1 1 166 166 GLU CA C 166 59.195 59.195 58.367 0.828 19945 945 1 . 1 1 166 166 GLU CB C 166 29.244 29.244 29.429 -0.185 19945 946 1 . 1 1 166 166 GLU H H 166 7.345 7.345 7.697 -0.352 19945 947 1 . 1 1 167 167 GLU N N 167 120.787 120.787 119.317 1.470 19945 948 1 . 1 1 167 167 GLU HA H 167 3.939 3.939 4.014 -0.075 19945 949 1 . 1 1 167 167 GLU C C 167 178.518 178.518 178.015 0.503 19945 950 1 . 1 1 167 167 GLU CA C 167 60.000 60.000 58.426 1.574 19945 951 1 . 1 1 167 167 GLU CB C 167 30.800 30.800 29.956 0.844 19945 952 1 . 1 1 167 167 GLU H H 167 8.413 8.413 7.662 0.751 19945 953 1 . 1 1 168 168 LEU N N 168 115.420 115.420 116.513 -1.093 19945 954 1 . 1 1 168 168 LEU HA H 168 4.137 4.137 4.266 -0.128 19945 955 1 . 1 1 168 168 LEU C C 168 175.896 175.896 176.394 -0.498 19945 956 1 . 1 1 168 168 LEU CA C 168 54.780 54.780 54.717 0.063 19945 957 1 . 1 1 168 168 LEU CB C 168 43.300 43.300 42.176 1.124 19945 958 1 . 1 1 168 168 LEU H H 168 8.553 8.553 7.975 0.578 19945 959 1 . 1 1 169 169 HIS N N 169 113.347 113.347 112.790 0.557 19945 960 1 . 1 1 169 169 HIS HA H 169 4.351 4.351 4.288 0.063 19945 961 1 . 1 1 169 169 HIS C C 169 175.835 175.835 175.747 0.088 19945 962 1 . 1 1 169 169 HIS CA C 169 56.273 56.273 57.100 -0.827 19945 963 1 . 1 1 169 169 HIS CB C 169 25.722 25.722 26.692 -0.970 19945 964 1 . 1 1 169 169 HIS H H 169 7.550 7.550 7.620 -0.070 19945 965 1 . 1 1 170 170 LEU N N 170 117.250 117.250 117.856 -0.606 19945 966 1 . 1 1 170 170 LEU HA H 170 4.003 4.003 4.172 -0.169 19945 967 1 . 1 1 170 170 LEU C C 170 178.096 178.096 177.772 0.324 19945 968 1 . 1 1 170 170 LEU CA C 170 57.968 57.968 56.567 1.401 19945 969 1 . 1 1 170 170 LEU CB C 170 41.858 41.858 41.576 0.282 19945 970 1 . 1 1 170 170 LEU H H 170 8.069 8.069 7.943 0.126 19945 971 1 . 1 1 171 171 ASP N N 171 117.300 117.300 120.425 -3.125 19945 972 1 . 1 1 171 171 ASP HA H 171 4.335 4.335 4.250 0.085 19945 973 1 . 1 1 171 171 ASP C C 171 177.915 177.915 177.982 -0.067 19945 974 1 . 1 1 171 171 ASP CA C 171 56.690 56.690 58.135 -1.445 19945 975 1 . 1 1 171 171 ASP CB C 171 40.060 40.060 40.764 -0.704 19945 976 1 . 1 1 171 171 ASP H H 171 8.732 8.732 8.370 0.362 19945 977 1 . 1 1 172 172 GLU N N 172 119.203 119.203 116.667 2.536 19945 978 1 . 1 1 172 172 GLU HA H 172 4.227 4.227 4.182 0.044 19945 979 1 . 1 1 172 172 GLU C C 172 178.277 178.277 177.492 0.785 19945 980 1 . 1 1 172 172 GLU CA C 172 58.132 58.132 58.203 -0.071 19945 981 1 . 1 1 172 172 GLU CB C 172 30.000 30.000 29.479 0.521 19945 982 1 . 1 1 172 172 GLU H H 172 7.804 7.804 8.296 -0.492 19945 983 1 . 1 1 173 173 ILE N N 173 119.519 119.519 117.422 2.097 19945 984 1 . 1 1 173 173 ILE HA H 173 4.053 4.053 4.096 -0.043 19945 985 1 . 1 1 173 173 ILE C C 173 178.006 178.006 178.172 -0.166 19945 986 1 . 1 1 173 173 ILE CA C 173 63.600 63.600 63.240 0.360 19945 987 1 . 1 1 173 173 ILE CB C 173 39.000 39.000 39.145 -0.144 19945 988 1 . 1 1 173 173 ILE H H 173 7.787 7.787 7.626 0.161 19945 989 1 . 1 1 174 174 LEU N N 174 121.260 121.260 118.163 3.097 19945 990 1 . 1 1 174 174 LEU HA H 174 4.286 4.286 4.294 -0.008 19945 991 1 . 1 1 174 174 LEU C C 174 177.704 177.704 177.630 0.074 19945 992 1 . 1 1 174 174 LEU CA C 174 56.273 56.273 57.416 -1.143 19945 993 1 . 1 1 174 174 LEU CB C 174 42.459 42.459 42.294 0.165 19945 994 1 . 1 1 174 174 LEU H H 174 8.241 8.241 8.411 -0.170 19945 995 1 . 1 1 175 175 ASN N N 175 118.280 118.280 117.688 0.592 19945 996 1 . 1 1 175 175 ASN HA H 175 4.829 4.829 4.787 0.042 19945 997 1 . 1 1 175 175 ASN C C 175 173.846 173.846 175.080 -1.234 19945 998 1 . 1 1 175 175 ASN CA C 175 53.222 53.222 51.959 1.263 19945 999 1 . 1 1 175 175 ASN CB C 175 39.271 39.271 39.221 0.050 19945 1000 1 . 1 1 175 175 ASN H H 175 7.883 7.883 8.113 -0.230 19945 stop_ save_